NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
524433 | 2ljp | 17952 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 8.208 -5.366 18.454 2 H2 MET 1 H2 MET 1 8.691 -4.840 16.915 3 H3 MET 1 H3 MET 1 9.326 -4.100 18.304 4 HA MET 1 HA MET 1 10.945 -5.565 17.348 5 HB2 MET 1 HB2 MET 1 9.721 -6.565 19.926 6 HB3 MET 1 HB3 MET 1 11.282 -7.095 19.321 7 HG2 MET 1 HG2 MET 1 11.594 -5.424 21.007 8 HG3 MET 1 HG3 MET 1 12.090 -4.777 19.446 9 HE1 MET 1 HE1 MET 1 11.519 -3.048 22.095 10 HE2 MET 1 HE2 MET 1 10.658 -1.671 21.408 11 HE3 MET 1 HE3 MET 1 12.065 -2.334 20.578 12 H VAL 2 H VAL 2 8.532 -7.752 18.805 13 HA VAL 2 HA VAL 2 8.645 -9.366 16.335 14 HB VAL 2 HB VAL 2 8.449 -10.449 19.157 15 HG11 VAL 2 HG11 VAL 2 7.244 -11.834 17.577 16 HG12 VAL 2 HG12 VAL 2 8.725 -12.648 18.082 17 HG13 VAL 2 HG13 VAL 2 8.643 -11.869 16.503 18 HG21 VAL 2 HG21 VAL 2 10.684 -9.617 18.711 19 HG22 VAL 2 HG22 VAL 2 10.748 -10.536 17.210 20 HG23 VAL 2 HG23 VAL 2 10.682 -11.380 18.755 21 H LYS 3 H LYS 3 6.814 -8.832 19.336 22 HA LYS 3 HA LYS 3 4.362 -9.723 18.084 23 HB2 LYS 3 HB2 LYS 3 4.984 -10.210 20.475 24 HB3 LYS 3 HB3 LYS 3 4.751 -8.503 20.820 25 HG2 LYS 3 HG2 LYS 3 2.442 -8.626 20.434 26 HG3 LYS 3 HG3 LYS 3 2.578 -10.191 19.628 27 HD2 LYS 3 HD2 LYS 3 1.688 -10.560 21.817 28 HD3 LYS 3 HD3 LYS 3 3.344 -11.162 21.793 29 HE2 LYS 3 HE2 LYS 3 3.065 -9.997 23.842 30 HE3 LYS 3 HE3 LYS 3 4.046 -8.968 22.801 31 HZ1 LYS 3 HZ1 LYS 3 2.245 -7.796 24.026 32 HZ2 LYS 3 HZ2 LYS 3 1.109 -8.661 23.110 33 HZ3 LYS 3 HZ3 LYS 3 2.182 -7.592 22.347 34 H LEU 4 H LEU 4 2.962 -8.452 17.073 35 HA LEU 4 HA LEU 4 3.582 -5.688 16.680 36 HB2 LEU 4 HB2 LEU 4 1.424 -7.517 15.695 37 HB3 LEU 4 HB3 LEU 4 1.292 -5.790 15.435 38 HG LEU 4 HG LEU 4 2.190 -6.824 13.458 39 HD11 LEU 4 HD11 LEU 4 4.303 -5.597 13.233 40 HD12 LEU 4 HD12 LEU 4 4.313 -5.323 14.974 41 HD13 LEU 4 HD13 LEU 4 3.035 -4.627 13.979 42 HD21 LEU 4 HD21 LEU 4 3.105 -8.849 14.411 43 HD22 LEU 4 HD22 LEU 4 4.359 -7.923 15.234 44 HD23 LEU 4 HD23 LEU 4 4.339 -8.009 13.473 45 H ALA 5 H ALA 5 1.607 -7.386 18.890 46 HA ALA 5 HA ALA 5 -0.107 -5.142 19.479 47 HB1 ALA 5 HB1 ALA 5 -0.991 -6.530 21.277 48 HB2 ALA 5 HB2 ALA 5 0.283 -7.718 21.001 49 HB3 ALA 5 HB3 ALA 5 -0.938 -7.431 19.761 50 H PHE 6 H PHE 6 1.153 -3.456 20.102 51 HA PHE 6 HA PHE 6 3.099 -3.786 22.238 52 HB2 PHE 6 HB2 PHE 6 2.270 -1.403 20.573 53 HB3 PHE 6 HB3 PHE 6 3.424 -1.298 21.896 54 HD1 PHE 6 HD2 PHE 6 2.835 -2.607 18.522 55 HD2 PHE 6 HD1 PHE 6 5.651 -2.143 21.678 56 HE1 PHE 6 HE2 PHE 6 4.651 -3.230 16.988 57 HE2 PHE 6 HE1 PHE 6 7.475 -2.762 20.147 58 HZ PHE 6 HZ PHE 6 6.976 -3.307 17.799 59 HA PRO 7 HA PRO 7 0.379 -2.594 25.505 60 HB2 PRO 7 HB2 PRO 7 2.600 -1.233 26.842 61 HB3 PRO 7 HB3 PRO 7 1.742 -2.701 27.314 62 HG2 PRO 7 HG2 PRO 7 4.291 -2.746 26.431 63 HG3 PRO 7 HG3 PRO 7 3.152 -4.069 26.119 64 HD2 PRO 7 HD2 PRO 7 4.026 -1.853 24.301 65 HD3 PRO 7 HD3 PRO 7 3.792 -3.577 23.942 66 H ARG 8 H ARG 8 1.470 -0.448 23.337 67 HA ARG 8 HA ARG 8 0.997 2.016 24.731 68 HB2 ARG 8 HB2 ARG 8 1.203 3.062 22.506 69 HB3 ARG 8 HB3 ARG 8 2.560 2.018 22.899 70 HG2 ARG 8 HG2 ARG 8 1.644 0.267 21.481 71 HG3 ARG 8 HG3 ARG 8 0.249 1.285 21.113 72 HD2 ARG 8 HD2 ARG 8 1.918 1.350 19.321 73 HD3 ARG 8 HD3 ARG 8 1.693 2.929 20.072 74 HE ARG 8 HE ARG 8 3.902 1.279 21.040 75 HH11 ARG 8 HH11 ARG 8 2.789 4.064 19.230 76 HH12 ARG 8 HH12 ARG 8 4.381 4.746 19.053 77 HH21 ARG 8 HH21 ARG 8 5.998 2.163 20.807 78 HH22 ARG 8 HH22 ARG 8 6.208 3.655 19.937 79 H GLU 9 H GLU 9 -1.079 -0.324 23.826 80 HA GLU 9 HA GLU 9 -3.231 1.218 22.780 81 HB2 GLU 9 HB2 GLU 9 -4.647 -0.718 23.479 82 HB3 GLU 9 HB3 GLU 9 -3.285 -1.161 22.461 83 HG2 GLU 9 HG2 GLU 9 -2.069 -1.997 24.346 84 HG3 GLU 9 HG3 GLU 9 -3.297 -1.396 25.460 85 H LEU 10 H LEU 10 -1.820 0.897 25.851 86 HA LEU 10 HA LEU 10 -4.110 1.913 27.305 87 HB2 LEU 10 HB2 LEU 10 -1.262 1.331 28.101 88 HB3 LEU 10 HB3 LEU 10 -2.391 2.116 29.185 89 HG LEU 10 HG LEU 10 -3.872 0.060 28.906 90 HD11 LEU 10 HD11 LEU 10 -1.314 -1.092 27.809 91 HD12 LEU 10 HD12 LEU 10 -2.812 -0.854 26.909 92 HD13 LEU 10 HD13 LEU 10 -2.759 -2.004 28.246 93 HD21 LEU 10 HD21 LEU 10 -2.615 0.510 30.927 94 HD22 LEU 10 HD22 LEU 10 -1.171 -0.212 30.214 95 HD23 LEU 10 HD23 LEU 10 -2.582 -1.215 30.558 96 H ARG 11 H ARG 11 -2.151 3.246 25.137 97 HA ARG 11 HA ARG 11 -1.890 5.819 26.553 98 HB2 ARG 11 HB2 ARG 11 0.248 4.731 25.839 99 HB3 ARG 11 HB3 ARG 11 -0.306 4.813 24.176 100 HG2 ARG 11 HG2 ARG 11 1.299 6.585 24.755 101 HG3 ARG 11 HG3 ARG 11 -0.261 7.216 24.225 102 HD2 ARG 11 HD2 ARG 11 0.798 8.325 26.249 103 HD3 ARG 11 HD3 ARG 11 -0.882 7.818 26.406 104 HE ARG 11 HE ARG 11 1.124 5.937 27.354 105 HH11 ARG 11 HH11 ARG 11 -1.097 8.521 28.134 106 HH12 ARG 11 HH12 ARG 11 -1.238 8.079 29.810 107 HH21 ARG 11 HH21 ARG 11 0.919 5.317 29.561 108 HH22 ARG 11 HH22 ARG 11 -0.116 6.247 30.615 109 H LEU 12 H LEU 12 -2.532 7.701 25.446 110 HA LEU 12 HA LEU 12 -4.794 7.380 23.788 111 HB2 LEU 12 HB2 LEU 12 -3.174 9.875 24.311 112 HB3 LEU 12 HB3 LEU 12 -4.785 9.824 23.619 113 HG LEU 12 HG LEU 12 -4.027 9.029 26.431 114 HD11 LEU 12 HD11 LEU 12 -5.408 10.949 27.066 115 HD12 LEU 12 HD12 LEU 12 -5.637 11.342 25.363 116 HD13 LEU 12 HD13 LEU 12 -4.028 11.433 26.079 117 HD21 LEU 12 HD21 LEU 12 -6.415 8.712 26.795 118 HD22 LEU 12 HD22 LEU 12 -5.815 7.612 25.554 119 HD23 LEU 12 HD23 LEU 12 -6.728 9.048 25.093 120 H LEU 13 H LEU 13 -4.504 6.486 21.843 121 HA LEU 13 HA LEU 13 -2.351 7.361 20.108 122 HB2 LEU 13 HB2 LEU 13 -3.068 5.652 18.585 123 HB3 LEU 13 HB3 LEU 13 -3.016 4.970 20.196 124 HG LEU 13 HG LEU 13 -5.584 5.921 18.929 125 HD11 LEU 13 HD11 LEU 13 -4.624 4.216 17.495 126 HD12 LEU 13 HD12 LEU 13 -6.016 3.575 18.369 127 HD13 LEU 13 HD13 LEU 13 -4.382 3.158 18.886 128 HD21 LEU 13 HD21 LEU 13 -6.612 4.428 20.575 129 HD22 LEU 13 HD22 LEU 13 -5.629 5.665 21.359 130 HD23 LEU 13 HD23 LEU 13 -5.016 4.019 21.205 131 H THR 14 H THR 14 -2.787 8.148 17.925 132 HA THR 14 HA THR 14 -4.991 10.044 17.945 133 HB THR 14 HB THR 14 -3.846 10.784 15.748 134 HG1 THR 14 HG1 THR 14 -1.490 9.698 16.758 135 HG21 THR 14 HG21 THR 14 -2.381 11.038 18.374 136 HG22 THR 14 HG22 THR 14 -3.733 12.040 17.844 137 HG23 THR 14 HG23 THR 14 -2.198 12.102 16.978 138 HA PRO 15 HA PRO 15 -7.410 7.634 15.085 139 HB2 PRO 15 HB2 PRO 15 -8.896 10.008 14.362 140 HB3 PRO 15 HB3 PRO 15 -9.400 8.661 15.383 141 HG2 PRO 15 HG2 PRO 15 -8.950 11.186 16.322 142 HG3 PRO 15 HG3 PRO 15 -8.786 9.722 17.308 143 HD2 PRO 15 HD2 PRO 15 -6.664 11.361 15.976 144 HD3 PRO 15 HD3 PRO 15 -6.659 10.592 17.578 145 H SER 16 H SER 16 -5.129 9.783 14.214 146 HA SER 16 HA SER 16 -5.833 10.214 11.461 147 HB2 SER 16 HB2 SER 16 -3.138 10.532 12.812 148 HB3 SER 16 HB3 SER 16 -3.638 11.239 11.275 149 HG SER 16 HG SER 16 -3.753 12.637 13.202 150 H GLN 17 H GLN 17 -6.100 8.283 10.420 151 HA GLN 17 HA GLN 17 -4.541 5.992 10.867 152 HB2 GLN 17 HB2 GLN 17 -5.571 5.146 8.748 153 HB3 GLN 17 HB3 GLN 17 -6.725 5.736 9.932 154 HG2 GLN 17 HG2 GLN 17 -7.565 6.619 7.995 155 HG3 GLN 17 HG3 GLN 17 -6.576 7.952 8.584 156 HE21 GLN 17 HE21 GLN 17 -5.399 5.004 7.053 157 HE22 GLN 17 HE22 GLN 17 -4.753 5.788 5.653 158 H PHE 18 H PHE 18 -4.175 8.662 8.609 159 HA PHE 18 HA PHE 18 -2.203 7.509 6.964 160 HB2 PHE 18 HB2 PHE 18 -3.431 9.568 6.380 161 HB3 PHE 18 HB3 PHE 18 -2.599 10.426 7.671 162 HD1 PHE 18 HD2 PHE 18 -2.067 8.639 4.471 163 HD2 PHE 18 HD1 PHE 18 -0.494 11.399 7.305 164 HE1 PHE 18 HE2 PHE 18 -0.242 9.192 2.916 165 HE2 PHE 18 HE1 PHE 18 1.332 11.958 5.752 166 HZ PHE 18 HZ PHE 18 1.461 10.851 3.555 167 H THR 19 H THR 19 -1.993 9.357 9.956 168 HA THR 19 HA THR 19 0.852 9.348 10.068 169 HB THR 19 HB THR 19 -1.086 9.668 12.369 170 HG1 THR 19 HG1 THR 19 -0.451 12.025 11.753 171 HG21 THR 19 HG21 THR 19 1.740 10.667 11.981 172 HG22 THR 19 HG22 THR 19 1.257 9.331 13.026 173 HG23 THR 19 HG23 THR 19 0.718 10.971 13.386 174 H PHE 20 H PHE 20 -1.721 7.384 11.485 175 HA PHE 20 HA PHE 20 -0.179 5.839 13.220 176 HB2 PHE 20 HB2 PHE 20 -2.668 6.006 13.210 177 HB3 PHE 20 HB3 PHE 20 -2.694 4.987 11.776 178 HD1 PHE 20 HD1 PHE 20 -0.951 4.848 15.081 179 HD2 PHE 20 HD2 PHE 20 -3.415 2.876 12.228 180 HE1 PHE 20 HE1 PHE 20 -1.017 2.855 16.523 181 HE2 PHE 20 HE2 PHE 20 -3.482 0.877 13.659 182 HZ PHE 20 HZ PHE 20 -2.283 0.864 15.811 183 H VAL 21 H VAL 21 -1.076 5.220 9.827 184 HA VAL 21 HA VAL 21 0.247 2.705 9.712 185 HB VAL 21 HB VAL 21 -1.517 3.263 8.109 186 HG11 VAL 21 HG11 VAL 21 -1.077 5.627 7.805 187 HG12 VAL 21 HG12 VAL 21 -1.084 4.799 6.248 188 HG13 VAL 21 HG13 VAL 21 0.445 5.260 6.994 189 HG21 VAL 21 HG21 VAL 21 1.137 2.824 6.746 190 HG22 VAL 21 HG22 VAL 21 -0.451 2.422 6.092 191 HG23 VAL 21 HG23 VAL 21 0.160 1.574 7.512 192 H PHE 22 H PHE 22 1.248 6.010 9.063 193 HA PHE 22 HA PHE 22 3.647 5.297 7.702 194 HB2 PHE 22 HB2 PHE 22 2.357 7.477 7.490 195 HB3 PHE 22 HB3 PHE 22 3.065 7.940 9.033 196 HD1 PHE 22 HD1 PHE 22 3.953 6.873 5.590 197 HD2 PHE 22 HD2 PHE 22 5.159 8.949 9.103 198 HE1 PHE 22 HE1 PHE 22 5.939 7.713 4.406 199 HE2 PHE 22 HE2 PHE 22 7.148 9.793 7.924 200 HZ PHE 22 HZ PHE 22 7.540 9.175 5.575 201 H GLN 23 H GLN 23 2.779 5.594 11.028 202 HA GLN 23 HA GLN 23 5.388 6.081 12.060 203 HB2 GLN 23 HB2 GLN 23 2.953 4.862 13.368 204 HB3 GLN 23 HB3 GLN 23 4.437 5.261 14.222 205 HG2 GLN 23 HG2 GLN 23 2.551 7.160 12.856 206 HG3 GLN 23 HG3 GLN 23 2.850 7.002 14.585 207 HE21 GLN 23 HE21 GLN 23 4.781 7.800 15.447 208 HE22 GLN 23 HE22 GLN 23 5.761 8.947 14.592 209 H GLN 24 H GLN 24 3.463 3.120 11.644 210 HA GLN 24 HA GLN 24 5.968 1.610 11.580 211 HB2 GLN 24 HB2 GLN 24 5.091 1.441 13.890 212 HB3 GLN 24 HB3 GLN 24 3.592 0.775 13.257 213 HG2 GLN 24 HG2 GLN 24 4.905 -1.110 12.301 214 HG3 GLN 24 HG3 GLN 24 6.328 -0.468 13.121 215 HE21 GLN 24 HE21 GLN 24 6.458 -0.573 15.364 216 HE22 GLN 24 HE22 GLN 24 5.429 -1.618 16.284 217 HA PRO 25 HA PRO 25 3.233 -0.063 8.353 218 HB2 PRO 25 HB2 PRO 25 4.472 0.913 6.193 219 HB3 PRO 25 HB3 PRO 25 3.366 1.905 7.150 220 HG2 PRO 25 HG2 PRO 25 6.302 2.046 6.943 221 HG3 PRO 25 HG3 PRO 25 5.149 3.293 7.441 222 HD2 PRO 25 HD2 PRO 25 6.745 1.546 9.107 223 HD3 PRO 25 HD3 PRO 25 5.669 2.869 9.603 224 H GLN 26 H GLN 26 3.600 -2.168 7.885 225 HA GLN 26 HA GLN 26 6.276 -3.207 7.709 226 HB2 GLN 26 HB2 GLN 26 3.629 -4.535 7.096 227 HB3 GLN 26 HB3 GLN 26 5.180 -5.359 7.174 228 HG2 GLN 26 HG2 GLN 26 3.707 -4.015 9.422 229 HG3 GLN 26 HG3 GLN 26 4.019 -5.736 9.217 230 HE21 GLN 26 HE21 GLN 26 6.110 -6.533 9.593 231 HE22 GLN 26 HE22 GLN 26 7.263 -5.625 10.513 232 H ARG 27 H ARG 27 7.471 -2.753 6.010 233 HA ARG 27 HA ARG 27 6.304 -1.968 3.509 234 HB2 ARG 27 HB2 ARG 27 8.426 -1.034 4.648 235 HB3 ARG 27 HB3 ARG 27 9.236 -2.451 4.000 236 HG2 ARG 27 HG2 ARG 27 7.699 -0.551 2.259 237 HG3 ARG 27 HG3 ARG 27 9.393 -0.295 2.670 238 HD2 ARG 27 HD2 ARG 27 8.325 -2.787 1.352 239 HD3 ARG 27 HD3 ARG 27 9.017 -1.421 0.476 240 HE ARG 27 HE ARG 27 10.618 -2.780 2.530 241 HH11 ARG 27 HH11 ARG 27 10.058 -2.039 -0.852 242 HH12 ARG 27 HH12 ARG 27 11.665 -2.478 -1.341 243 HH21 ARG 27 HH21 ARG 27 12.709 -3.379 1.876 244 HH22 ARG 27 HH22 ARG 27 13.162 -3.240 0.205 245 H ALA 28 H ALA 28 5.596 -3.392 2.097 246 HA ALA 28 HA ALA 28 7.386 -5.514 1.233 247 HB1 ALA 28 HB1 ALA 28 5.671 -7.234 1.287 248 HB2 ALA 28 HB2 ALA 28 4.527 -6.097 1.998 249 HB3 ALA 28 HB3 ALA 28 5.951 -6.599 2.909 250 H GLY 29 H GLY 29 7.682 -4.728 -0.758 251 HA2 GLY 29 HA2 GLY 29 5.855 -5.056 -2.805 252 HA3 GLY 29 HA3 GLY 29 5.653 -3.396 -2.261 253 H THR 30 H THR 30 6.376 -3.498 -4.731 254 HA THR 30 HA THR 30 9.112 -3.826 -5.334 255 HB THR 30 HB THR 30 7.298 -1.942 -6.821 256 HG1 THR 30 HG1 THR 30 6.148 -3.622 -7.611 257 HG21 THR 30 HG21 THR 30 9.597 -2.219 -7.627 258 HG22 THR 30 HG22 THR 30 8.434 -2.874 -8.779 259 HG23 THR 30 HG23 THR 30 9.352 -3.961 -7.736 260 HA PRO 31 HA PRO 31 11.015 -0.271 -3.481 261 HB2 PRO 31 HB2 PRO 31 12.819 0.279 -5.538 262 HB3 PRO 31 HB3 PRO 31 13.084 -0.839 -4.196 263 HG2 PRO 31 HG2 PRO 31 12.169 -1.401 -6.985 264 HG3 PRO 31 HG3 PRO 31 13.283 -2.324 -5.962 265 HD2 PRO 31 HD2 PRO 31 10.785 -3.149 -6.314 266 HD3 PRO 31 HD3 PRO 31 11.551 -3.261 -4.712 267 H GLN 32 H GLN 32 9.641 -0.081 -6.691 268 HA GLN 32 HA GLN 32 9.794 2.838 -6.649 269 HB2 GLN 32 HB2 GLN 32 8.910 2.666 -8.985 270 HB3 GLN 32 HB3 GLN 32 10.473 1.902 -8.730 271 HG2 GLN 32 HG2 GLN 32 9.406 -0.277 -8.623 272 HG3 GLN 32 HG3 GLN 32 7.826 0.481 -8.830 273 HE21 GLN 32 HE21 GLN 32 10.835 -0.346 -10.379 274 HE22 GLN 32 HE22 GLN 32 10.285 -0.109 -11.999 275 H ILE 33 H ILE 33 7.719 0.500 -5.594 276 HA ILE 33 HA ILE 33 5.621 2.450 -5.252 277 HB ILE 33 HB ILE 33 4.845 1.556 -7.332 278 HG12 ILE 33 HG12 ILE 33 3.307 0.247 -5.079 279 HG13 ILE 33 HG13 ILE 33 3.153 1.928 -5.577 280 HG21 ILE 33 HG21 ILE 33 5.156 -1.193 -6.138 281 HG22 ILE 33 HG22 ILE 33 6.138 -0.490 -7.424 282 HG23 ILE 33 HG23 ILE 33 4.429 -0.831 -7.704 283 HD11 ILE 33 HD11 ILE 33 1.336 0.548 -6.440 284 HD12 ILE 33 HD12 ILE 33 2.506 -0.465 -7.287 285 HD13 ILE 33 HD13 ILE 33 2.310 1.227 -7.743 286 H THR 34 H THR 34 5.586 2.381 -3.110 287 HA THR 34 HA THR 34 6.254 -0.114 -1.778 288 HB THR 34 HB THR 34 5.905 2.626 -0.558 289 HG1 THR 34 HG1 THR 34 7.823 1.670 -2.210 290 HG21 THR 34 HG21 THR 34 5.860 0.759 1.035 291 HG22 THR 34 HG22 THR 34 7.321 1.729 1.221 292 HG23 THR 34 HG23 THR 34 7.394 0.172 0.392 293 H ILE 35 H ILE 35 4.541 -1.408 -1.486 294 HA ILE 35 HA ILE 35 2.014 -0.334 -0.545 295 HB ILE 35 HB ILE 35 2.850 -3.218 -0.965 296 HG12 ILE 35 HG12 ILE 35 1.065 -2.984 -2.832 297 HG13 ILE 35 HG13 ILE 35 1.335 -1.253 -2.666 298 HG21 ILE 35 HG21 ILE 35 0.466 -3.742 -0.734 299 HG22 ILE 35 HG22 ILE 35 0.138 -2.054 -0.343 300 HG23 ILE 35 HG23 ILE 35 1.128 -3.034 0.740 301 HD11 ILE 35 HD11 ILE 35 3.703 -1.589 -3.190 302 HD12 ILE 35 HD12 ILE 35 2.645 -2.157 -4.482 303 HD13 ILE 35 HD13 ILE 35 3.403 -3.315 -3.389 304 H LEU 36 H LEU 36 2.035 0.321 1.508 305 HA LEU 36 HA LEU 36 3.656 -1.039 3.485 306 HB2 LEU 36 HB2 LEU 36 1.839 1.363 3.684 307 HB3 LEU 36 HB3 LEU 36 2.711 0.694 5.047 308 HG LEU 36 HG LEU 36 4.012 2.506 4.383 309 HD11 LEU 36 HD11 LEU 36 6.070 1.572 3.472 310 HD12 LEU 36 HD12 LEU 36 5.196 0.126 2.969 311 HD13 LEU 36 HD13 LEU 36 5.359 0.506 4.685 312 HD21 LEU 36 HD21 LEU 36 3.682 1.630 1.520 313 HD22 LEU 36 HD22 LEU 36 4.638 3.005 2.074 314 HD23 LEU 36 HD23 LEU 36 2.887 3.003 2.290 315 H GLY 37 H GLY 37 2.760 -1.785 5.511 316 HA2 GLY 37 HA2 GLY 37 -0.065 -2.589 5.319 317 HA3 GLY 37 HA3 GLY 37 1.175 -3.758 5.757 318 H ARG 38 H ARG 38 -1.121 -1.717 6.952 319 HA ARG 38 HA ARG 38 0.250 -1.329 9.514 320 HB2 ARG 38 HB2 ARG 38 -0.884 0.633 8.623 321 HB3 ARG 38 HB3 ARG 38 -2.384 -0.267 8.474 322 HG2 ARG 38 HG2 ARG 38 -2.707 0.973 10.391 323 HG3 ARG 38 HG3 ARG 38 -2.194 -0.590 11.018 324 HD2 ARG 38 HD2 ARG 38 -0.424 1.822 10.649 325 HD3 ARG 38 HD3 ARG 38 -1.118 1.291 12.176 326 HE ARG 38 HE ARG 38 1.129 0.119 10.761 327 HH11 ARG 38 HH11 ARG 38 -1.237 -0.273 13.316 328 HH12 ARG 38 HH12 ARG 38 -0.247 -1.349 14.243 329 HH21 ARG 38 HH21 ARG 38 2.445 -1.265 11.983 330 HH22 ARG 38 HH22 ARG 38 1.875 -1.897 13.498 331 H LEU 39 H LEU 39 0.085 -3.003 10.854 332 HA LEU 39 HA LEU 39 -2.006 -4.918 10.742 333 HB2 LEU 39 HB2 LEU 39 0.068 -4.358 12.864 334 HB3 LEU 39 HB3 LEU 39 -1.084 -5.672 12.970 335 HG LEU 39 HG LEU 39 0.927 -6.626 12.208 336 HD11 LEU 39 HD11 LEU 39 -1.041 -7.433 11.037 337 HD12 LEU 39 HD12 LEU 39 0.376 -7.468 9.990 338 HD13 LEU 39 HD13 LEU 39 -0.829 -6.194 9.800 339 HD21 LEU 39 HD21 LEU 39 2.200 -5.808 10.302 340 HD22 LEU 39 HD22 LEU 39 2.063 -4.570 11.547 341 HD23 LEU 39 HD23 LEU 39 1.063 -4.476 10.099 342 H ASN 40 H ASN 40 -3.957 -3.990 10.946 343 HA ASN 40 HA ASN 40 -4.755 -3.154 13.605 344 HB2 ASN 40 HB2 ASN 40 -4.088 -1.026 12.613 345 HB3 ASN 40 HB3 ASN 40 -5.076 -1.349 11.193 346 HD21 ASN 40 HD21 ASN 40 -6.303 0.501 11.455 347 HD22 ASN 40 HD22 ASN 40 -7.462 0.676 12.724 348 H SER 41 H SER 41 -6.264 -4.695 13.860 349 HA SER 41 HA SER 41 -8.032 -5.406 11.683 350 HB2 SER 41 HB2 SER 41 -7.227 -7.129 13.288 351 HB3 SER 41 HB3 SER 41 -8.122 -6.314 14.573 352 HG SER 41 HG SER 41 -9.095 -8.182 13.199 353 H LEU 42 H LEU 42 -8.989 -3.393 11.321 354 HA LEU 42 HA LEU 42 -10.703 -2.307 13.420 355 HB2 LEU 42 HB2 LEU 42 -9.165 -1.028 11.667 356 HB3 LEU 42 HB3 LEU 42 -10.580 -1.191 10.651 357 HG LEU 42 HG LEU 42 -10.424 1.000 11.804 358 HD11 LEU 42 HD11 LEU 42 -12.593 0.224 11.074 359 HD12 LEU 42 HD12 LEU 42 -12.742 1.066 12.618 360 HD13 LEU 42 HD13 LEU 42 -12.793 -0.697 12.567 361 HD21 LEU 42 HD21 LEU 42 -9.398 0.262 13.875 362 HD22 LEU 42 HD22 LEU 42 -10.853 -0.642 14.294 363 HD23 LEU 42 HD23 LEU 42 -10.906 1.119 14.199 364 H GLY 43 H GLY 43 -10.831 -3.964 10.343 365 HA2 GLY 43 HA2 GLY 43 -12.681 -5.307 9.670 366 HA3 GLY 43 HA3 GLY 43 -13.730 -4.307 10.668 367 H HIS 44 H HIS 44 -11.752 -2.208 9.219 368 HA HIS 44 HA HIS 44 -13.518 -1.850 6.889 369 HB2 HIS 44 HB2 HIS 44 -13.846 -0.137 8.680 370 HB3 HIS 44 HB3 HIS 44 -12.155 0.313 8.518 371 HD1 HIS 44 HD1 HIS 44 -15.472 1.054 7.224 372 HD2 HIS 44 HD2 HIS 44 -11.546 1.491 5.904 373 HE1 HIS 44 HE1 HIS 44 -15.560 2.741 5.355 374 HE2 HIS 44 HE2 HIS 44 -13.173 3.020 4.592 375 HA PRO 45 HA PRO 45 -9.334 -2.275 5.145 376 HB2 PRO 45 HB2 PRO 45 -10.462 -3.531 2.854 377 HB3 PRO 45 HB3 PRO 45 -9.586 -4.301 4.176 378 HG2 PRO 45 HG2 PRO 45 -12.290 -4.648 3.600 379 HG3 PRO 45 HG3 PRO 45 -11.494 -5.063 5.126 380 HD2 PRO 45 HD2 PRO 45 -13.149 -2.684 4.433 381 HD3 PRO 45 HD3 PRO 45 -13.003 -3.553 5.977 382 H ARG 46 H ARG 46 -8.605 -0.439 4.269 383 HA ARG 46 HA ARG 46 -10.068 0.651 1.959 384 HB2 ARG 46 HB2 ARG 46 -9.726 2.887 2.676 385 HB3 ARG 46 HB3 ARG 46 -10.357 2.021 4.070 386 HG2 ARG 46 HG2 ARG 46 -8.238 1.974 5.119 387 HG3 ARG 46 HG3 ARG 46 -7.419 2.492 3.644 388 HD2 ARG 46 HD2 ARG 46 -9.270 4.110 5.384 389 HD3 ARG 46 HD3 ARG 46 -7.546 4.372 5.110 390 HE ARG 46 HE ARG 46 -9.336 4.515 2.800 391 HH11 ARG 46 HH11 ARG 46 -7.320 6.183 5.118 392 HH12 ARG 46 HH12 ARG 46 -7.311 7.676 4.232 393 HH21 ARG 46 HH21 ARG 46 -9.322 6.453 1.625 394 HH22 ARG 46 HH22 ARG 46 -8.444 7.831 2.228 395 H ILE 47 H ILE 47 -8.803 1.665 0.364 396 HA ILE 47 HA ILE 47 -5.935 1.039 0.533 397 HB ILE 47 HB ILE 47 -7.006 -0.153 -1.291 398 HG12 ILE 47 HG12 ILE 47 -5.245 2.136 -2.174 399 HG13 ILE 47 HG13 ILE 47 -4.738 0.523 -1.678 400 HG21 ILE 47 HG21 ILE 47 -8.920 1.295 -1.676 401 HG22 ILE 47 HG22 ILE 47 -8.046 1.000 -3.179 402 HG23 ILE 47 HG23 ILE 47 -7.862 2.540 -2.342 403 HD11 ILE 47 HD11 ILE 47 -6.312 1.188 -4.153 404 HD12 ILE 47 HD12 ILE 47 -5.791 -0.422 -3.658 405 HD13 ILE 47 HD13 ILE 47 -4.595 0.801 -4.082 406 H GLY 48 H GLY 48 -4.787 2.758 1.082 407 HA2 GLY 48 HA2 GLY 48 -5.779 5.409 0.246 408 HA3 GLY 48 HA3 GLY 48 -4.768 5.107 1.653 409 H LEU 49 H LEU 49 -4.723 4.802 -1.893 410 HA LEU 49 HA LEU 49 -1.886 4.722 -2.029 411 HB2 LEU 49 HB2 LEU 49 -3.268 3.800 -3.813 412 HB3 LEU 49 HB3 LEU 49 -3.909 5.395 -4.163 413 HG LEU 49 HG LEU 49 -1.659 6.145 -4.848 414 HD11 LEU 49 HD11 LEU 49 0.122 4.499 -5.169 415 HD12 LEU 49 HD12 LEU 49 -0.880 3.265 -4.407 416 HD13 LEU 49 HD13 LEU 49 -0.321 4.649 -3.469 417 HD21 LEU 49 HD21 LEU 49 -2.485 3.623 -6.267 418 HD22 LEU 49 HD22 LEU 49 -1.592 4.986 -6.943 419 HD23 LEU 49 HD23 LEU 49 -3.278 5.184 -6.464 420 H THR 50 H THR 50 -0.610 6.309 -1.512 421 HA THR 50 HA THR 50 -1.436 9.083 -2.060 422 HB THR 50 HB THR 50 0.683 8.076 -0.143 423 HG1 THR 50 HG1 THR 50 -1.643 7.708 0.369 424 HG21 THR 50 HG21 THR 50 -0.439 10.850 -0.572 425 HG22 THR 50 HG22 THR 50 1.187 10.310 -0.985 426 HG23 THR 50 HG23 THR 50 0.687 10.388 0.703 427 H VAL 51 H VAL 51 -0.317 10.223 -3.535 428 HA VAL 51 HA VAL 51 2.352 9.354 -4.306 429 HB VAL 51 HB VAL 51 0.867 8.122 -5.817 430 HG11 VAL 51 HG11 VAL 51 -1.073 9.561 -5.797 431 HG12 VAL 51 HG12 VAL 51 -0.528 9.319 -7.457 432 HG13 VAL 51 HG13 VAL 51 -0.176 10.833 -6.622 433 HG21 VAL 51 HG21 VAL 51 2.335 10.376 -7.181 434 HG22 VAL 51 HG22 VAL 51 1.828 8.867 -7.943 435 HG23 VAL 51 HG23 VAL 51 3.029 8.842 -6.651 436 H ALA 52 H ALA 52 3.649 10.999 -4.953 437 HA ALA 52 HA ALA 52 2.534 13.693 -4.772 438 HB1 ALA 52 HB1 ALA 52 4.482 13.149 -3.379 439 HB2 ALA 52 HB2 ALA 52 4.829 14.444 -4.525 440 HB3 ALA 52 HB3 ALA 52 5.419 12.811 -4.834 441 H LYS 53 H LYS 53 3.196 15.320 -6.319 442 HA LYS 53 HA LYS 53 2.812 14.440 -8.999 443 HB2 LYS 53 HB2 LYS 53 2.019 16.621 -8.097 444 HB3 LYS 53 HB3 LYS 53 3.687 17.161 -8.005 445 HG2 LYS 53 HG2 LYS 53 3.884 16.934 -10.440 446 HG3 LYS 53 HG3 LYS 53 2.193 16.433 -10.517 447 HD2 LYS 53 HD2 LYS 53 1.506 18.582 -9.586 448 HD3 LYS 53 HD3 LYS 53 3.194 19.082 -9.468 449 HE2 LYS 53 HE2 LYS 53 3.406 18.877 -11.906 450 HE3 LYS 53 HE3 LYS 53 1.705 18.425 -12.008 451 HZ1 LYS 53 HZ1 LYS 53 2.001 20.760 -12.501 452 HZ2 LYS 53 HZ2 LYS 53 2.764 21.016 -11.008 453 HZ3 LYS 53 HZ3 LYS 53 1.126 20.583 -11.058 454 H LYS 54 H LYS 54 5.577 14.821 -7.054 455 HA LYS 54 HA LYS 54 7.440 15.080 -9.251 456 HB2 LYS 54 HB2 LYS 54 9.168 14.744 -7.478 457 HB3 LYS 54 HB3 LYS 54 8.075 16.081 -7.145 458 HG2 LYS 54 HG2 LYS 54 6.902 14.831 -5.511 459 HG3 LYS 54 HG3 LYS 54 7.694 13.333 -5.992 460 HD2 LYS 54 HD2 LYS 54 9.059 15.714 -4.738 461 HD3 LYS 54 HD3 LYS 54 8.607 14.229 -3.898 462 HE2 LYS 54 HE2 LYS 54 10.046 12.983 -5.534 463 HE3 LYS 54 HE3 LYS 54 10.614 14.545 -6.121 464 HZ1 LYS 54 HZ1 LYS 54 10.959 13.409 -3.403 465 HZ2 LYS 54 HZ2 LYS 54 11.318 15.020 -3.788 466 HZ3 LYS 54 HZ3 LYS 54 12.173 13.760 -4.536 467 H ASN 55 H ASN 55 5.807 12.571 -7.590 468 HA ASN 55 HA ASN 55 7.755 10.507 -8.167 469 HB2 ASN 55 HB2 ASN 55 4.985 10.397 -6.953 470 HB3 ASN 55 HB3 ASN 55 6.015 8.988 -7.172 471 HD21 ASN 55 HD21 ASN 55 5.970 8.629 -4.920 472 HD22 ASN 55 HD22 ASN 55 6.925 9.595 -3.845 473 H VAL 56 H VAL 56 4.387 11.185 -9.079 474 HA VAL 56 HA VAL 56 4.906 9.812 -11.632 475 HB VAL 56 HB VAL 56 2.238 10.371 -10.305 476 HG11 VAL 56 HG11 VAL 56 1.269 9.067 -12.147 477 HG12 VAL 56 HG12 VAL 56 2.858 8.970 -12.906 478 HG13 VAL 56 HG13 VAL 56 2.061 10.533 -12.726 479 HG21 VAL 56 HG21 VAL 56 3.693 7.771 -10.793 480 HG22 VAL 56 HG22 VAL 56 2.068 7.929 -10.125 481 HG23 VAL 56 HG23 VAL 56 3.454 8.554 -9.231 482 H ARG 57 H ARG 57 5.651 11.371 -12.940 483 HA ARG 57 HA ARG 57 4.791 14.099 -12.614 484 HB2 ARG 57 HB2 ARG 57 7.163 13.398 -13.063 485 HB3 ARG 57 HB3 ARG 57 6.665 12.978 -14.695 486 HG2 ARG 57 HG2 ARG 57 7.701 15.164 -14.648 487 HG3 ARG 57 HG3 ARG 57 5.997 15.292 -15.091 488 HD2 ARG 57 HD2 ARG 57 5.463 15.886 -12.758 489 HD3 ARG 57 HD3 ARG 57 7.180 15.823 -12.365 490 HE ARG 57 HE ARG 57 6.835 17.582 -14.516 491 HH11 ARG 57 HH11 ARG 57 6.015 17.357 -11.118 492 HH12 ARG 57 HH12 ARG 57 6.022 19.072 -10.864 493 HH21 ARG 57 HH21 ARG 57 6.857 19.840 -14.195 494 HH22 ARG 57 HH22 ARG 57 6.476 20.494 -12.627 495 H ARG 58 H ARG 58 3.924 11.454 -14.615 496 HA ARG 58 HA ARG 58 2.859 13.136 -16.730 497 HB2 ARG 58 HB2 ARG 58 3.922 10.719 -16.921 498 HB3 ARG 58 HB3 ARG 58 2.276 10.209 -16.566 499 HG2 ARG 58 HG2 ARG 58 2.627 10.269 -18.953 500 HG3 ARG 58 HG3 ARG 58 1.473 11.521 -18.484 501 HD2 ARG 58 HD2 ARG 58 3.350 13.156 -18.473 502 HD3 ARG 58 HD3 ARG 58 4.402 11.890 -19.098 503 HE ARG 58 HE ARG 58 2.326 11.979 -20.869 504 HH11 ARG 58 HH11 ARG 58 4.630 14.295 -19.615 505 HH12 ARG 58 HH12 ARG 58 4.608 15.294 -21.039 506 HH21 ARG 58 HH21 ARG 58 2.304 13.272 -22.763 507 HH22 ARG 58 HH22 ARG 58 3.286 14.710 -22.835 508 H ALA 59 H ALA 59 0.996 14.106 -16.464 509 HA ALA 59 HA ALA 59 -0.625 13.877 -14.248 510 HB1 ALA 59 HB1 ALA 59 -1.418 14.912 -16.963 511 HB2 ALA 59 HB2 ALA 59 -0.573 15.829 -15.714 512 HB3 ALA 59 HB3 ALA 59 -2.223 15.271 -15.437 513 H HIS 60 H HIS 60 -1.231 12.476 -17.478 514 HA HIS 60 HA HIS 60 -3.778 11.427 -16.749 515 HB2 HIS 60 HB2 HIS 60 -1.937 10.804 -19.058 516 HB3 HIS 60 HB3 HIS 60 -3.527 10.073 -18.871 517 HD1 HIS 60 HD1 HIS 60 -3.419 11.506 -21.363 518 HD2 HIS 60 HD2 HIS 60 -4.112 13.555 -17.804 519 HE1 HIS 60 HE1 HIS 60 -4.492 13.686 -22.024 520 HE2 HIS 60 HE2 HIS 60 -4.767 14.965 -19.872 521 H GLU 61 H GLU 61 -0.521 10.163 -16.626 522 HA GLU 61 HA GLU 61 -1.380 7.457 -16.250 523 HB2 GLU 61 HB2 GLU 61 1.340 8.685 -15.809 524 HB3 GLU 61 HB3 GLU 61 0.984 6.962 -15.824 525 HG2 GLU 61 HG2 GLU 61 0.862 8.905 -18.105 526 HG3 GLU 61 HG3 GLU 61 1.876 7.474 -17.941 527 H ARG 62 H ARG 62 -1.125 10.172 -14.239 528 HA ARG 62 HA ARG 62 -0.736 8.962 -11.727 529 HB2 ARG 62 HB2 ARG 62 -0.787 11.389 -11.978 530 HB3 ARG 62 HB3 ARG 62 -2.461 11.323 -12.515 531 HG2 ARG 62 HG2 ARG 62 -2.943 10.265 -10.229 532 HG3 ARG 62 HG3 ARG 62 -1.348 10.868 -9.775 533 HD2 ARG 62 HD2 ARG 62 -3.072 12.459 -9.142 534 HD3 ARG 62 HD3 ARG 62 -2.036 13.137 -10.399 535 HE ARG 62 HE ARG 62 -3.917 12.351 -11.958 536 HH11 ARG 62 HH11 ARG 62 -4.450 13.399 -8.656 537 HH12 ARG 62 HH12 ARG 62 -6.026 14.049 -8.989 538 HH21 ARG 62 HH21 ARG 62 -6.001 13.174 -12.386 539 HH22 ARG 62 HH22 ARG 62 -6.911 13.927 -11.107 540 H ASN 63 H ASN 63 -3.600 9.486 -13.709 541 HA ASN 63 HA ASN 63 -5.447 8.237 -11.954 542 HB2 ASN 63 HB2 ASN 63 -5.580 8.727 -14.943 543 HB3 ASN 63 HB3 ASN 63 -6.930 8.160 -13.968 544 HD21 ASN 63 HD21 ASN 63 -8.170 9.960 -14.507 545 HD22 ASN 63 HD22 ASN 63 -7.847 11.536 -13.858 546 H ARG 64 H ARG 64 -3.322 7.145 -14.479 547 HA ARG 64 HA ARG 64 -4.332 4.559 -14.905 548 HB2 ARG 64 HB2 ARG 64 -2.513 5.858 -16.197 549 HB3 ARG 64 HB3 ARG 64 -1.402 5.258 -14.976 550 HG2 ARG 64 HG2 ARG 64 -1.139 3.668 -16.590 551 HG3 ARG 64 HG3 ARG 64 -2.438 2.936 -15.646 552 HD2 ARG 64 HD2 ARG 64 -2.926 2.827 -18.035 553 HD3 ARG 64 HD3 ARG 64 -4.089 3.855 -17.195 554 HE ARG 64 HE ARG 64 -1.859 5.316 -18.282 555 HH11 ARG 64 HH11 ARG 64 -5.006 3.945 -19.036 556 HH12 ARG 64 HH12 ARG 64 -5.316 5.059 -20.334 557 HH21 ARG 64 HH21 ARG 64 -2.286 6.802 -19.938 558 HH22 ARG 64 HH22 ARG 64 -3.776 6.693 -20.847 559 H ILE 65 H ILE 65 -1.919 5.804 -12.631 560 HA ILE 65 HA ILE 65 -1.192 3.324 -11.503 561 HB ILE 65 HB ILE 65 -1.048 6.075 -10.261 562 HG12 ILE 65 HG12 ILE 65 0.201 5.965 -12.348 563 HG13 ILE 65 HG13 ILE 65 1.316 6.016 -10.987 564 HG21 ILE 65 HG21 ILE 65 -0.888 4.329 -8.569 565 HG22 ILE 65 HG22 ILE 65 0.670 5.123 -8.795 566 HG23 ILE 65 HG23 ILE 65 0.384 3.530 -9.495 567 HD11 ILE 65 HD11 ILE 65 0.541 3.553 -12.532 568 HD12 ILE 65 HD12 ILE 65 1.674 3.617 -11.182 569 HD13 ILE 65 HD13 ILE 65 2.051 4.448 -12.690 570 H LYS 66 H LYS 66 -3.569 5.772 -10.474 571 HA LYS 66 HA LYS 66 -4.335 4.336 -8.145 572 HB2 LYS 66 HB2 LYS 66 -5.831 6.493 -9.643 573 HB3 LYS 66 HB3 LYS 66 -6.260 5.885 -8.048 574 HG2 LYS 66 HG2 LYS 66 -3.734 6.537 -7.550 575 HG3 LYS 66 HG3 LYS 66 -4.038 7.661 -8.873 576 HD2 LYS 66 HD2 LYS 66 -5.781 7.418 -6.426 577 HD3 LYS 66 HD3 LYS 66 -4.471 8.585 -6.593 578 HE2 LYS 66 HE2 LYS 66 -5.596 9.524 -8.568 579 HE3 LYS 66 HE3 LYS 66 -6.927 8.389 -8.334 580 HZ1 LYS 66 HZ1 LYS 66 -6.058 10.375 -6.307 581 HZ2 LYS 66 HZ2 LYS 66 -7.432 9.389 -6.233 582 HZ3 LYS 66 HZ3 LYS 66 -7.338 10.631 -7.390 583 H ARG 67 H ARG 67 -5.429 4.318 -11.467 584 HA ARG 67 HA ARG 67 -7.679 2.665 -11.214 585 HB2 ARG 67 HB2 ARG 67 -5.783 3.392 -13.327 586 HB3 ARG 67 HB3 ARG 67 -6.438 1.775 -13.512 587 HG2 ARG 67 HG2 ARG 67 -8.726 2.785 -13.349 588 HG3 ARG 67 HG3 ARG 67 -7.946 4.371 -13.426 589 HD2 ARG 67 HD2 ARG 67 -6.965 3.837 -15.560 590 HD3 ARG 67 HD3 ARG 67 -7.579 2.189 -15.469 591 HE ARG 67 HE ARG 67 -9.204 4.610 -15.900 592 HH11 ARG 67 HH11 ARG 67 -8.849 1.124 -15.915 593 HH12 ARG 67 HH12 ARG 67 -10.219 0.860 -16.951 594 HH21 ARG 67 HH21 ARG 67 -11.016 4.266 -17.262 595 HH22 ARG 67 HH22 ARG 67 -11.449 2.645 -17.720 596 H LEU 68 H LEU 68 -4.320 1.785 -11.924 597 HA LEU 68 HA LEU 68 -4.616 -0.963 -12.069 598 HB2 LEU 68 HB2 LEU 68 -2.600 0.717 -12.514 599 HB3 LEU 68 HB3 LEU 68 -2.107 0.176 -10.924 600 HG LEU 68 HG LEU 68 -0.990 -1.062 -12.735 601 HD11 LEU 68 HD11 LEU 68 -1.346 -2.149 -10.568 602 HD12 LEU 68 HD12 LEU 68 -1.374 -3.304 -11.901 603 HD13 LEU 68 HD13 LEU 68 -2.884 -2.788 -11.150 604 HD21 LEU 68 HD21 LEU 68 -3.772 -2.003 -13.415 605 HD22 LEU 68 HD22 LEU 68 -2.278 -2.644 -14.099 606 HD23 LEU 68 HD23 LEU 68 -2.743 -0.971 -14.408 607 H THR 69 H THR 69 -3.700 1.012 -9.261 608 HA THR 69 HA THR 69 -3.313 -1.198 -7.532 609 HB THR 69 HB THR 69 -3.473 0.594 -5.719 610 HG1 THR 69 HG1 THR 69 -3.257 2.457 -7.823 611 HG21 THR 69 HG21 THR 69 -1.504 0.973 -7.979 612 HG22 THR 69 HG22 THR 69 -1.338 -0.159 -6.636 613 HG23 THR 69 HG23 THR 69 -1.308 1.580 -6.335 614 H ARG 70 H ARG 70 -5.949 1.218 -7.649 615 HA ARG 70 HA ARG 70 -7.420 0.052 -5.556 616 HB2 ARG 70 HB2 ARG 70 -7.715 2.377 -6.226 617 HB3 ARG 70 HB3 ARG 70 -8.359 1.869 -7.781 618 HG2 ARG 70 HG2 ARG 70 -10.294 0.896 -6.700 619 HG3 ARG 70 HG3 ARG 70 -9.629 1.288 -5.112 620 HD2 ARG 70 HD2 ARG 70 -11.341 2.898 -5.838 621 HD3 ARG 70 HD3 ARG 70 -9.766 3.652 -5.597 622 HE ARG 70 HE ARG 70 -10.077 2.892 -8.302 623 HH11 ARG 70 HH11 ARG 70 -11.216 5.274 -5.995 624 HH12 ARG 70 HH12 ARG 70 -11.512 6.488 -7.209 625 HH21 ARG 70 HH21 ARG 70 -10.462 4.464 -9.889 626 HH22 ARG 70 HH22 ARG 70 -11.082 6.029 -9.426 627 H GLU 71 H GLU 71 -7.550 -0.450 -9.057 628 HA GLU 71 HA GLU 71 -9.958 -1.971 -8.979 629 HB2 GLU 71 HB2 GLU 71 -9.039 -0.800 -11.007 630 HB3 GLU 71 HB3 GLU 71 -7.820 -2.064 -11.106 631 HG2 GLU 71 HG2 GLU 71 -9.215 -3.414 -12.164 632 HG3 GLU 71 HG3 GLU 71 -10.431 -3.232 -10.900 633 H SER 72 H SER 72 -6.600 -2.726 -8.481 634 HA SER 72 HA SER 72 -6.945 -5.559 -8.708 635 HB2 SER 72 HB2 SER 72 -4.751 -3.944 -7.389 636 HB3 SER 72 HB3 SER 72 -4.696 -5.684 -7.675 637 HG SER 72 HG SER 72 -4.538 -3.562 -9.494 638 H PHE 73 H PHE 73 -6.887 -3.231 -6.038 639 HA PHE 73 HA PHE 73 -7.101 -5.160 -3.973 640 HB2 PHE 73 HB2 PHE 73 -7.501 -2.199 -4.118 641 HB3 PHE 73 HB3 PHE 73 -8.005 -3.075 -2.676 642 HD1 PHE 73 HD1 PHE 73 -5.033 -2.740 -4.925 643 HD2 PHE 73 HD2 PHE 73 -6.491 -3.331 -0.970 644 HE1 PHE 73 HE1 PHE 73 -2.728 -2.660 -4.066 645 HE2 PHE 73 HE2 PHE 73 -4.189 -3.253 -0.106 646 HZ PHE 73 HZ PHE 73 -2.304 -2.917 -1.654 647 H ARG 74 H ARG 74 -9.422 -3.928 -6.175 648 HA ARG 74 HA ARG 74 -11.667 -4.580 -4.445 649 HB2 ARG 74 HB2 ARG 74 -13.076 -3.635 -6.103 650 HB3 ARG 74 HB3 ARG 74 -11.660 -2.598 -6.024 651 HG2 ARG 74 HG2 ARG 74 -10.759 -3.860 -8.002 652 HG3 ARG 74 HG3 ARG 74 -12.341 -4.627 -8.132 653 HD2 ARG 74 HD2 ARG 74 -11.772 -1.670 -8.286 654 HD3 ARG 74 HD3 ARG 74 -12.164 -2.724 -9.642 655 HE ARG 74 HE ARG 74 -14.128 -2.570 -7.493 656 HH11 ARG 74 HH11 ARG 74 -13.133 -1.535 -10.708 657 HH12 ARG 74 HH12 ARG 74 -14.708 -0.930 -11.124 658 HH21 ARG 74 HH21 ARG 74 -16.178 -1.773 -8.058 659 HH22 ARG 74 HH22 ARG 74 -16.431 -1.059 -9.619 660 H LEU 75 H LEU 75 -9.652 -6.193 -6.617 661 HA LEU 75 HA LEU 75 -11.703 -8.233 -7.193 662 HB2 LEU 75 HB2 LEU 75 -9.100 -7.657 -8.614 663 HB3 LEU 75 HB3 LEU 75 -10.187 -8.973 -9.013 664 HG LEU 75 HG LEU 75 -10.849 -6.033 -9.222 665 HD11 LEU 75 HD11 LEU 75 -9.236 -6.720 -10.901 666 HD12 LEU 75 HD12 LEU 75 -10.812 -6.438 -11.640 667 HD13 LEU 75 HD13 LEU 75 -10.257 -8.086 -11.349 668 HD21 LEU 75 HD21 LEU 75 -12.876 -6.796 -10.358 669 HD22 LEU 75 HD22 LEU 75 -12.808 -7.386 -8.698 670 HD23 LEU 75 HD23 LEU 75 -12.428 -8.471 -10.035 671 H ARG 76 H ARG 76 -8.711 -7.620 -5.603 672 HA ARG 76 HA ARG 76 -8.208 -10.478 -5.165 673 HB2 ARG 76 HB2 ARG 76 -6.538 -8.046 -4.473 674 HB3 ARG 76 HB3 ARG 76 -6.051 -9.718 -4.222 675 HG2 ARG 76 HG2 ARG 76 -6.870 -8.996 -6.963 676 HG3 ARG 76 HG3 ARG 76 -5.369 -8.279 -6.381 677 HD2 ARG 76 HD2 ARG 76 -5.159 -10.467 -7.616 678 HD3 ARG 76 HD3 ARG 76 -4.380 -10.392 -6.040 679 HE ARG 76 HE ARG 76 -6.381 -11.623 -5.184 680 HH11 ARG 76 HH11 ARG 76 -5.555 -11.793 -8.600 681 HH12 ARG 76 HH12 ARG 76 -6.200 -13.397 -8.793 682 HH21 ARG 76 HH21 ARG 76 -7.163 -13.746 -5.433 683 HH22 ARG 76 HH22 ARG 76 -7.080 -14.521 -6.993 684 H GLN 77 H GLN 77 -10.487 -9.515 -3.996 685 HA GLN 77 HA GLN 77 -10.143 -8.395 -1.409 686 HB2 GLN 77 HB2 GLN 77 -12.190 -8.278 -2.910 687 HB3 GLN 77 HB3 GLN 77 -12.542 -9.925 -2.414 688 HG2 GLN 77 HG2 GLN 77 -13.861 -8.427 -1.107 689 HG3 GLN 77 HG3 GLN 77 -12.637 -9.155 -0.067 690 HE21 GLN 77 HE21 GLN 77 -11.909 -6.637 -2.363 691 HE22 GLN 77 HE22 GLN 77 -11.587 -5.402 -1.202 692 H HIS 78 H HIS 78 -9.817 -11.574 -2.589 693 HA HIS 78 HA HIS 78 -10.633 -12.953 -0.199 694 HB2 HIS 78 HB2 HIS 78 -8.973 -13.948 -2.527 695 HB3 HIS 78 HB3 HIS 78 -9.694 -14.952 -1.276 696 HD1 HIS 78 HD1 HIS 78 -10.222 -14.333 -4.608 697 HD2 HIS 78 HD2 HIS 78 -12.746 -14.137 -1.314 698 HE1 HIS 78 HE1 HIS 78 -12.550 -14.535 -5.531 699 HE2 HIS 78 HE2 HIS 78 -14.050 -14.578 -3.503 700 H GLU 79 H GLU 79 -7.652 -11.778 -1.585 701 HA GLU 79 HA GLU 79 -6.003 -13.293 0.224 702 HB2 GLU 79 HB2 GLU 79 -5.301 -11.211 -1.847 703 HB3 GLU 79 HB3 GLU 79 -4.124 -12.134 -0.927 704 HG2 GLU 79 HG2 GLU 79 -4.305 -13.139 -3.062 705 HG3 GLU 79 HG3 GLU 79 -5.099 -14.211 -1.913 706 H LEU 80 H LEU 80 -7.089 -9.955 -0.086 707 HA LEU 80 HA LEU 80 -5.237 -9.058 1.948 708 HB2 LEU 80 HB2 LEU 80 -6.329 -6.838 1.611 709 HB3 LEU 80 HB3 LEU 80 -5.590 -7.522 0.179 710 HG LEU 80 HG LEU 80 -8.032 -8.350 -0.334 711 HD11 LEU 80 HD11 LEU 80 -8.561 -5.965 1.437 712 HD12 LEU 80 HD12 LEU 80 -8.986 -7.637 1.810 713 HD13 LEU 80 HD13 LEU 80 -9.747 -6.816 0.445 714 HD21 LEU 80 HD21 LEU 80 -8.418 -6.304 -1.593 715 HD22 LEU 80 HD22 LEU 80 -6.726 -6.794 -1.691 716 HD23 LEU 80 HD23 LEU 80 -7.200 -5.468 -0.628 717 HA PRO 81 HA PRO 81 -8.179 -9.437 5.281 718 HB2 PRO 81 HB2 PRO 81 -6.415 -8.069 7.042 719 HB3 PRO 81 HB3 PRO 81 -6.599 -9.813 6.856 720 HG2 PRO 81 HG2 PRO 81 -4.337 -8.340 6.180 721 HG3 PRO 81 HG3 PRO 81 -4.706 -9.978 5.619 722 HD2 PRO 81 HD2 PRO 81 -5.067 -7.363 4.224 723 HD3 PRO 81 HD3 PRO 81 -4.608 -8.947 3.560 724 H ALA 82 H ALA 82 -9.040 -7.933 7.063 725 HA ALA 82 HA ALA 82 -9.847 -5.468 5.757 726 HB1 ALA 82 HB1 ALA 82 -11.533 -6.909 6.800 727 HB2 ALA 82 HB2 ALA 82 -11.511 -5.299 7.519 728 HB3 ALA 82 HB3 ALA 82 -10.771 -6.655 8.370 729 H MET 83 H MET 83 -7.620 -4.620 5.960 730 HA MET 83 HA MET 83 -7.236 -3.304 8.567 731 HB2 MET 83 HB2 MET 83 -5.077 -4.443 6.777 732 HB3 MET 83 HB3 MET 83 -4.789 -3.506 8.237 733 HG2 MET 83 HG2 MET 83 -5.879 -5.243 9.566 734 HG3 MET 83 HG3 MET 83 -6.163 -6.180 8.098 735 HE1 MET 83 HE1 MET 83 -4.984 -8.305 9.166 736 HE2 MET 83 HE2 MET 83 -4.728 -7.394 10.653 737 HE3 MET 83 HE3 MET 83 -3.386 -8.263 9.906 738 H ASP 84 H ASP 84 -5.308 -1.586 8.109 739 HA ASP 84 HA ASP 84 -6.368 0.160 6.017 740 HB2 ASP 84 HB2 ASP 84 -6.185 1.102 8.288 741 HB3 ASP 84 HB3 ASP 84 -4.459 0.754 8.297 742 H PHE 85 H PHE 85 -5.335 0.307 4.130 743 HA PHE 85 HA PHE 85 -2.470 -0.355 4.082 744 HB2 PHE 85 HB2 PHE 85 -4.570 -1.060 2.024 745 HB3 PHE 85 HB3 PHE 85 -2.838 -1.263 1.784 746 HD1 PHE 85 HD2 PHE 85 -1.588 -2.776 3.411 747 HD2 PHE 85 HD1 PHE 85 -5.829 -2.737 3.041 748 HE1 PHE 85 HE2 PHE 85 -1.697 -5.001 4.453 749 HE2 PHE 85 HE1 PHE 85 -5.944 -4.963 4.085 750 HZ PHE 85 HZ PHE 85 -3.876 -6.098 4.792 751 H VAL 86 H VAL 86 -1.937 1.836 4.244 752 HA VAL 86 HA VAL 86 -2.633 3.576 2.033 753 HB VAL 86 HB VAL 86 -0.756 3.983 4.372 754 HG11 VAL 86 HG11 VAL 86 -0.677 6.340 3.688 755 HG12 VAL 86 HG12 VAL 86 -1.605 5.945 2.241 756 HG13 VAL 86 HG13 VAL 86 0.013 5.280 2.459 757 HG21 VAL 86 HG21 VAL 86 -3.489 5.106 3.764 758 HG22 VAL 86 HG22 VAL 86 -2.485 5.549 5.145 759 HG23 VAL 86 HG23 VAL 86 -3.105 3.904 4.996 760 H VAL 87 H VAL 87 -1.746 3.020 0.167 761 HA VAL 87 HA VAL 87 0.966 1.958 0.067 762 HB VAL 87 HB VAL 87 -1.041 2.338 -2.167 763 HG11 VAL 87 HG11 VAL 87 1.544 0.784 -2.106 764 HG12 VAL 87 HG12 VAL 87 1.254 2.286 -2.984 765 HG13 VAL 87 HG13 VAL 87 0.391 0.816 -3.440 766 HG21 VAL 87 HG21 VAL 87 -1.850 0.739 -0.525 767 HG22 VAL 87 HG22 VAL 87 -0.322 -0.140 -0.604 768 HG23 VAL 87 HG23 VAL 87 -1.382 -0.086 -2.013 769 H VAL 88 H VAL 88 2.684 3.119 -0.590 770 HA VAL 88 HA VAL 88 2.143 5.840 -1.587 771 HB VAL 88 HB VAL 88 4.595 4.891 -0.091 772 HG11 VAL 88 HG11 VAL 88 5.092 6.691 -1.646 773 HG12 VAL 88 HG12 VAL 88 5.156 7.284 0.015 774 HG13 VAL 88 HG13 VAL 88 3.756 7.642 -0.995 775 HG21 VAL 88 HG21 VAL 88 2.288 6.596 0.843 776 HG22 VAL 88 HG22 VAL 88 3.759 6.274 1.760 777 HG23 VAL 88 HG23 VAL 88 2.655 4.954 1.375 778 H ALA 89 H ALA 89 2.351 5.806 -3.717 779 HA ALA 89 HA ALA 89 4.156 4.086 -5.112 780 HB1 ALA 89 HB1 ALA 89 2.082 4.834 -6.150 781 HB2 ALA 89 HB2 ALA 89 3.474 5.346 -7.106 782 HB3 ALA 89 HB3 ALA 89 2.633 6.509 -6.079 783 H LYS 90 H LYS 90 6.253 4.410 -5.499 784 HA LYS 90 HA LYS 90 7.477 6.849 -4.517 785 HB2 LYS 90 HB2 LYS 90 8.754 4.361 -5.673 786 HB3 LYS 90 HB3 LYS 90 9.600 5.672 -4.868 787 HG2 LYS 90 HG2 LYS 90 7.462 4.180 -3.417 788 HG3 LYS 90 HG3 LYS 90 9.066 3.471 -3.593 789 HD2 LYS 90 HD2 LYS 90 9.190 4.578 -1.550 790 HD3 LYS 90 HD3 LYS 90 9.923 5.721 -2.673 791 HE2 LYS 90 HE2 LYS 90 7.831 6.966 -2.787 792 HE3 LYS 90 HE3 LYS 90 7.069 5.804 -1.701 793 HZ1 LYS 90 HZ1 LYS 90 8.727 6.426 -0.006 794 HZ2 LYS 90 HZ2 LYS 90 7.742 7.727 -0.462 795 HZ3 LYS 90 HZ3 LYS 90 9.331 7.617 -1.053 796 H LYS 91 H LYS 91 9.383 7.689 -5.863 797 HA LYS 91 HA LYS 91 8.406 8.476 -8.439 798 HB2 LYS 91 HB2 LYS 91 9.863 9.839 -6.804 799 HB3 LYS 91 HB3 LYS 91 11.210 8.883 -7.398 800 HG2 LYS 91 HG2 LYS 91 9.444 10.492 -9.220 801 HG3 LYS 91 HG3 LYS 91 10.873 11.163 -8.439 802 HD2 LYS 91 HD2 LYS 91 10.829 8.788 -10.298 803 HD3 LYS 91 HD3 LYS 91 11.352 10.419 -10.724 804 HE2 LYS 91 HE2 LYS 91 13.123 10.261 -9.014 805 HE3 LYS 91 HE3 LYS 91 12.618 8.608 -8.670 806 HZ1 LYS 91 HZ1 LYS 91 14.447 8.498 -10.138 807 HZ2 LYS 91 HZ2 LYS 91 13.790 9.658 -11.180 808 HZ3 LYS 91 HZ3 LYS 91 13.078 8.122 -11.067 809 H GLY 92 H GLY 92 8.353 6.970 -9.977 810 HA2 GLY 92 HA2 GLY 92 10.241 6.077 -11.550 811 HA3 GLY 92 HA3 GLY 92 10.546 5.035 -10.168 812 H VAL 93 H VAL 93 7.518 5.096 -9.667 813 HA VAL 93 HA VAL 93 6.943 2.660 -10.965 814 HB VAL 93 HB VAL 93 5.905 3.318 -8.830 815 HG11 VAL 93 HG11 VAL 93 4.314 5.272 -10.485 816 HG12 VAL 93 HG12 VAL 93 5.520 5.672 -9.262 817 HG13 VAL 93 HG13 VAL 93 4.017 4.879 -8.791 818 HG21 VAL 93 HG21 VAL 93 4.869 1.562 -10.138 819 HG22 VAL 93 HG22 VAL 93 3.931 2.753 -11.039 820 HG23 VAL 93 HG23 VAL 93 3.633 2.516 -9.316 821 H ALA 94 H ALA 94 6.446 5.967 -11.884 822 HA ALA 94 HA ALA 94 4.587 5.273 -14.010 823 HB1 ALA 94 HB1 ALA 94 5.752 7.940 -13.225 824 HB2 ALA 94 HB2 ALA 94 4.186 7.303 -12.724 825 HB3 ALA 94 HB3 ALA 94 4.483 7.679 -14.422 826 H ASP 95 H ASP 95 7.630 4.651 -13.798 827 HA ASP 95 HA ASP 95 8.525 5.858 -16.312 828 HB2 ASP 95 HB2 ASP 95 10.000 5.759 -14.239 829 HB3 ASP 95 HB3 ASP 95 10.077 4.019 -14.479 830 H LEU 96 H LEU 96 6.901 3.189 -15.224 831 HA LEU 96 HA LEU 96 8.061 1.209 -16.971 832 HB2 LEU 96 HB2 LEU 96 5.566 1.144 -15.278 833 HB3 LEU 96 HB3 LEU 96 6.202 -0.223 -16.169 834 HG LEU 96 HG LEU 96 7.550 1.173 -13.857 835 HD11 LEU 96 HD11 LEU 96 5.643 -0.209 -13.215 836 HD12 LEU 96 HD12 LEU 96 7.164 -0.931 -12.688 837 HD13 LEU 96 HD13 LEU 96 6.326 -1.572 -14.102 838 HD21 LEU 96 HD21 LEU 96 9.188 0.384 -15.483 839 HD22 LEU 96 HD22 LEU 96 8.437 -1.213 -15.479 840 HD23 LEU 96 HD23 LEU 96 9.222 -0.604 -14.021 841 H ASP 97 H ASP 97 6.537 -0.101 -18.327 842 HA ASP 97 HA ASP 97 5.054 1.634 -20.131 843 HB2 ASP 97 HB2 ASP 97 6.640 -0.060 -21.020 844 HB3 ASP 97 HB3 ASP 97 5.672 -1.333 -20.286 845 H ASN 98 H ASN 98 2.847 1.035 -20.804 846 HA ASN 98 HA ASN 98 1.074 0.646 -18.680 847 HB2 ASN 98 HB2 ASN 98 0.471 1.664 -20.871 848 HB3 ASN 98 HB3 ASN 98 0.556 0.069 -21.609 849 HD21 ASN 98 HD21 ASN 98 -1.557 0.006 -22.224 850 HD22 ASN 98 HD22 ASN 98 -2.873 -0.121 -21.100 851 H ARG 99 H ARG 99 2.523 -1.646 -20.911 852 HA ARG 99 HA ARG 99 1.086 -3.947 -20.046 853 HB2 ARG 99 HB2 ARG 99 2.202 -4.100 -22.135 854 HB3 ARG 99 HB3 ARG 99 3.719 -3.529 -21.459 855 HG2 ARG 99 HG2 ARG 99 3.956 -5.621 -20.215 856 HG3 ARG 99 HG3 ARG 99 2.432 -6.194 -20.893 857 HD2 ARG 99 HD2 ARG 99 4.441 -7.080 -22.053 858 HD3 ARG 99 HD3 ARG 99 3.345 -6.191 -23.108 859 HE ARG 99 HE ARG 99 5.070 -4.277 -22.460 860 HH11 ARG 99 HH11 ARG 99 5.645 -7.592 -23.458 861 HH12 ARG 99 HH12 ARG 99 7.166 -7.224 -24.225 862 HH21 ARG 99 HH21 ARG 99 7.039 -3.785 -23.499 863 HH22 ARG 99 HH22 ARG 99 7.950 -5.058 -24.253 864 H ALA 100 H ALA 100 4.136 -2.455 -19.097 865 HA ALA 100 HA ALA 100 5.004 -4.541 -17.391 866 HB1 ALA 100 HB1 ALA 100 6.553 -2.951 -18.389 867 HB2 ALA 100 HB2 ALA 100 6.698 -2.955 -16.631 868 HB3 ALA 100 HB3 ALA 100 5.838 -1.647 -17.444 869 H LEU 101 H LEU 101 2.802 -1.917 -16.939 870 HA LEU 101 HA LEU 101 2.917 -1.647 -14.146 871 HB2 LEU 101 HB2 LEU 101 0.541 -1.374 -15.988 872 HB3 LEU 101 HB3 LEU 101 0.588 -0.827 -14.324 873 HG LEU 101 HG LEU 101 2.328 0.229 -16.554 874 HD11 LEU 101 HD11 LEU 101 0.977 2.269 -16.315 875 HD12 LEU 101 HD12 LEU 101 -0.073 1.423 -15.178 876 HD13 LEU 101 HD13 LEU 101 0.019 0.891 -16.857 877 HD21 LEU 101 HD21 LEU 101 3.446 0.362 -14.399 878 HD22 LEU 101 HD22 LEU 101 2.021 1.117 -13.687 879 HD23 LEU 101 HD23 LEU 101 2.941 1.967 -14.927 880 H SER 102 H SER 102 0.985 -3.799 -16.202 881 HA SER 102 HA SER 102 -0.225 -5.169 -14.010 882 HB2 SER 102 HB2 SER 102 0.094 -6.070 -16.885 883 HB3 SER 102 HB3 SER 102 -1.039 -6.728 -15.705 884 HG SER 102 HG SER 102 -1.592 -4.238 -15.663 885 H GLU 103 H GLU 103 2.693 -5.553 -15.878 886 HA GLU 103 HA GLU 103 3.334 -8.199 -15.124 887 HB2 GLU 103 HB2 GLU 103 5.145 -5.919 -15.934 888 HB3 GLU 103 HB3 GLU 103 5.623 -7.609 -15.844 889 HG2 GLU 103 HG2 GLU 103 3.448 -6.566 -17.640 890 HG3 GLU 103 HG3 GLU 103 5.126 -6.790 -18.136 891 H ALA 104 H ALA 104 3.770 -5.109 -13.567 892 HA ALA 104 HA ALA 104 5.546 -6.202 -11.541 893 HB1 ALA 104 HB1 ALA 104 5.632 -3.928 -10.665 894 HB2 ALA 104 HB2 ALA 104 4.373 -3.433 -11.797 895 HB3 ALA 104 HB3 ALA 104 5.949 -3.944 -12.400 896 H LEU 105 H LEU 105 2.235 -5.943 -12.066 897 HA LEU 105 HA LEU 105 1.266 -5.339 -9.495 898 HB2 LEU 105 HB2 LEU 105 -0.147 -5.226 -11.470 899 HB3 LEU 105 HB3 LEU 105 0.013 -6.954 -11.714 900 HG LEU 105 HG LEU 105 -1.207 -7.360 -9.613 901 HD11 LEU 105 HD11 LEU 105 -1.549 -4.364 -9.563 902 HD12 LEU 105 HD12 LEU 105 -0.575 -5.311 -8.439 903 HD13 LEU 105 HD13 LEU 105 -2.326 -5.515 -8.476 904 HD21 LEU 105 HD21 LEU 105 -2.616 -5.542 -11.565 905 HD22 LEU 105 HD22 LEU 105 -3.406 -6.619 -10.415 906 HD23 LEU 105 HD23 LEU 105 -2.424 -7.288 -11.718 907 H GLU 106 H GLU 106 1.760 -8.489 -11.097 908 HA GLU 106 HA GLU 106 0.947 -10.010 -8.864 909 HB2 GLU 106 HB2 GLU 106 1.882 -11.930 -10.035 910 HB3 GLU 106 HB3 GLU 106 0.976 -10.917 -11.147 911 HG2 GLU 106 HG2 GLU 106 2.737 -11.032 -12.486 912 HG3 GLU 106 HG3 GLU 106 3.555 -9.957 -11.354 913 H LYS 107 H LYS 107 3.924 -8.452 -9.670 914 HA LYS 107 HA LYS 107 5.670 -9.980 -8.051 915 HB2 LYS 107 HB2 LYS 107 5.965 -7.047 -8.717 916 HB3 LYS 107 HB3 LYS 107 7.241 -8.163 -8.258 917 HG2 LYS 107 HG2 LYS 107 5.653 -8.197 -10.815 918 HG3 LYS 107 HG3 LYS 107 7.336 -7.714 -10.620 919 HD2 LYS 107 HD2 LYS 107 6.227 -10.476 -10.126 920 HD3 LYS 107 HD3 LYS 107 7.128 -9.971 -11.554 921 HE2 LYS 107 HE2 LYS 107 9.026 -9.379 -10.002 922 HE3 LYS 107 HE3 LYS 107 8.125 -10.190 -8.720 923 HZ1 LYS 107 HZ1 LYS 107 9.632 -11.762 -9.626 924 HZ2 LYS 107 HZ2 LYS 107 9.190 -11.385 -11.218 925 HZ3 LYS 107 HZ3 LYS 107 8.096 -12.192 -10.206 926 H LEU 108 H LEU 108 4.009 -6.886 -7.477 927 HA LEU 108 HA LEU 108 4.872 -6.757 -4.755 928 HB2 LEU 108 HB2 LEU 108 3.363 -4.810 -4.599 929 HB3 LEU 108 HB3 LEU 108 4.478 -4.712 -5.944 930 HG LEU 108 HG LEU 108 2.416 -5.701 -7.284 931 HD11 LEU 108 HD11 LEU 108 0.985 -5.949 -5.313 932 HD12 LEU 108 HD12 LEU 108 0.300 -4.827 -6.487 933 HD13 LEU 108 HD13 LEU 108 1.080 -4.211 -5.030 934 HD21 LEU 108 HD21 LEU 108 2.670 -2.815 -6.450 935 HD22 LEU 108 HD22 LEU 108 1.790 -3.408 -7.860 936 HD23 LEU 108 HD23 LEU 108 3.541 -3.603 -7.767 937 H TRP 109 H TRP 109 2.037 -7.955 -6.408 938 HA TRP 109 HA TRP 109 0.315 -8.219 -4.217 939 HB2 TRP 109 HB2 TRP 109 -0.520 -8.492 -6.465 940 HB3 TRP 109 HB3 TRP 109 0.548 -9.863 -6.744 941 HD1 TRP 109 HD1 TRP 109 -2.158 -9.096 -4.044 942 HE1 TRP 109 HE1 TRP 109 -3.631 -11.195 -3.805 943 HE3 TRP 109 HE3 TRP 109 0.108 -12.081 -7.523 944 HZ2 TRP 109 HZ2 TRP 109 -3.811 -13.770 -4.945 945 HZ3 TRP 109 HZ3 TRP 109 -0.780 -14.348 -7.890 946 HH2 TRP 109 HH2 TRP 109 -2.699 -15.173 -6.626 947 H ARG 110 H ARG 110 2.388 -10.710 -5.699 948 HA ARG 110 HA ARG 110 1.986 -12.631 -3.688 949 HB2 ARG 110 HB2 ARG 110 2.798 -13.302 -5.839 950 HB3 ARG 110 HB3 ARG 110 4.203 -12.256 -5.700 951 HG2 ARG 110 HG2 ARG 110 5.149 -13.646 -3.999 952 HG3 ARG 110 HG3 ARG 110 3.680 -14.621 -3.918 953 HD2 ARG 110 HD2 ARG 110 5.340 -14.337 -6.413 954 HD3 ARG 110 HD3 ARG 110 5.587 -15.622 -5.228 955 HE ARG 110 HE ARG 110 3.105 -16.107 -5.688 956 HH11 ARG 110 HH11 ARG 110 5.404 -14.942 -8.057 957 HH12 ARG 110 HH12 ARG 110 4.574 -15.649 -9.412 958 HH21 ARG 110 HH21 ARG 110 2.022 -17.073 -7.466 959 HH22 ARG 110 HH22 ARG 110 2.655 -16.852 -9.077 960 H ARG 111 H ARG 111 4.372 -10.074 -4.059 961 HA ARG 111 HA ARG 111 6.154 -10.733 -2.038 962 HB2 ARG 111 HB2 ARG 111 6.700 -8.936 -3.507 963 HB3 ARG 111 HB3 ARG 111 5.244 -8.050 -3.076 964 HG2 ARG 111 HG2 ARG 111 7.105 -6.991 -2.031 965 HG3 ARG 111 HG3 ARG 111 6.148 -7.785 -0.782 966 HD2 ARG 111 HD2 ARG 111 8.395 -8.252 -0.260 967 HD3 ARG 111 HD3 ARG 111 7.754 -9.730 -0.977 968 HE ARG 111 HE ARG 111 8.905 -8.219 -3.025 969 HH11 ARG 111 HH11 ARG 111 9.865 -9.998 -0.164 970 HH12 ARG 111 HH12 ARG 111 11.493 -10.270 -0.716 971 HH21 ARG 111 HH21 ARG 111 11.048 -8.578 -3.756 972 HH22 ARG 111 HH22 ARG 111 12.151 -9.485 -2.767 973 H HIS 112 H HIS 112 3.237 -8.670 -1.784 974 HA HIS 112 HA HIS 112 3.630 -8.436 1.066 975 HB2 HIS 112 HB2 HIS 112 2.566 -6.695 -0.591 976 HB3 HIS 112 HB3 HIS 112 1.086 -7.595 -0.273 977 HD1 HIS 112 HD1 HIS 112 2.992 -4.828 0.973 978 HD2 HIS 112 HD2 HIS 112 0.613 -7.774 2.691 979 HE1 HIS 112 HE1 HIS 112 2.417 -3.980 3.269 980 HE2 HIS 112 HE2 HIS 112 1.210 -5.902 4.375 981 H CYS 113 H CYS 113 1.751 -10.425 -1.097 982 HA CYS 113 HA CYS 113 -0.170 -11.355 0.746 983 HB2 CYS 113 HB2 CYS 113 -0.281 -11.706 -1.720 984 HB3 CYS 113 HB3 CYS 113 1.030 -12.871 -1.584 985 HG CYS 113 HG CYS 113 -2.191 -13.182 -0.517 986 H ARG 114 H ARG 114 3.073 -12.522 -0.078 987 HA ARG 114 HA ARG 114 3.100 -14.813 1.539 988 HB2 ARG 114 HB2 ARG 114 4.802 -14.194 -0.213 989 HB3 ARG 114 HB3 ARG 114 5.460 -13.025 0.923 990 HG2 ARG 114 HG2 ARG 114 6.837 -14.921 1.081 991 HG3 ARG 114 HG3 ARG 114 5.809 -14.956 2.515 992 HD2 ARG 114 HD2 ARG 114 5.953 -17.174 1.575 993 HD3 ARG 114 HD3 ARG 114 4.315 -16.555 1.361 994 HE ARG 114 HE ARG 114 6.073 -16.100 -0.892 995 HH11 ARG 114 HH11 ARG 114 3.799 -18.322 0.592 996 HH12 ARG 114 HH12 ARG 114 3.396 -19.116 -0.899 997 HH21 ARG 114 HH21 ARG 114 5.578 -17.167 -2.853 998 HH22 ARG 114 HH22 ARG 114 4.399 -18.451 -2.865 999 H LEU 115 H LEU 115 3.671 -11.433 2.267 1000 HA LEU 115 HA LEU 115 4.686 -11.967 4.912 1001 HB2 LEU 115 HB2 LEU 115 5.386 -10.018 3.504 1002 HB3 LEU 115 HB3 LEU 115 3.786 -9.339 3.734 1003 HG LEU 115 HG LEU 115 4.200 -9.258 6.177 1004 HD11 LEU 115 HD11 LEU 115 5.810 -11.083 6.319 1005 HD12 LEU 115 HD12 LEU 115 6.468 -9.601 7.013 1006 HD13 LEU 115 HD13 LEU 115 6.982 -10.128 5.411 1007 HD21 LEU 115 HD21 LEU 115 4.628 -7.294 4.795 1008 HD22 LEU 115 HD22 LEU 115 6.270 -7.858 4.490 1009 HD23 LEU 115 HD23 LEU 115 5.785 -7.397 6.121 1010 H ALA 116 H ALA 116 1.621 -11.140 3.450 1011 HA ALA 116 HA ALA 116 0.279 -10.378 5.837 1012 HB1 ALA 116 HB1 ALA 116 -1.769 -10.590 4.533 1013 HB2 ALA 116 HB2 ALA 116 -0.886 -11.435 3.261 1014 HB3 ALA 116 HB3 ALA 116 -0.526 -9.743 3.610 1015 H ARG 117 H ARG 117 1.059 -13.424 4.401 1016 HA ARG 117 HA ARG 117 -0.811 -14.935 6.003 1017 HB2 ARG 117 HB2 ARG 117 1.550 -15.895 4.375 1018 HB3 ARG 117 HB3 ARG 117 0.276 -16.905 5.043 1019 HG2 ARG 117 HG2 ARG 117 -0.100 -14.772 2.952 1020 HG3 ARG 117 HG3 ARG 117 -0.018 -16.508 2.651 1021 HD2 ARG 117 HD2 ARG 117 -2.060 -15.216 4.445 1022 HD3 ARG 117 HD3 ARG 117 -2.328 -15.538 2.734 1023 HE ARG 117 HE ARG 117 -1.498 -17.917 3.978 1024 HH11 ARG 117 HH11 ARG 117 -4.196 -15.700 4.024 1025 HH12 ARG 117 HH12 ARG 117 -5.388 -16.934 4.292 1026 HH21 ARG 117 HH21 ARG 117 -3.056 -19.563 4.346 1027 HH22 ARG 117 HH22 ARG 117 -4.735 -19.129 4.492 1028 H GLY 118 H GLY 118 2.395 -13.721 6.270 1029 HA2 GLY 118 HA2 GLY 118 3.029 -15.448 8.539 1030 HA3 GLY 118 HA3 GLY 118 4.111 -14.285 7.782 1031 H SER 119 H SER 119 4.584 -12.648 9.088 1032 HA SER 119 HA SER 119 2.472 -11.198 10.408 1033 HB2 SER 119 HB2 SER 119 3.025 -12.982 12.055 1034 HB3 SER 119 HB3 SER 119 4.699 -12.428 12.060 1035 HG SER 119 HG SER 119 3.741 -10.318 12.687 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -13.440 -2.466 19.283 2 H2 MET 1 H2 MET 1 -14.326 -3.662 20.086 3 H3 MET 1 H3 MET 1 -13.020 -4.094 19.088 4 HA MET 1 HA MET 1 -12.834 -2.522 21.587 5 HB2 MET 1 HB2 MET 1 -12.100 -5.389 20.961 6 HB3 MET 1 HB3 MET 1 -11.600 -4.542 22.419 7 HG2 MET 1 HG2 MET 1 -13.945 -4.246 23.046 8 HG3 MET 1 HG3 MET 1 -14.437 -5.109 21.592 9 HE1 MET 1 HE1 MET 1 -12.177 -7.020 25.130 10 HE2 MET 1 HE2 MET 1 -12.694 -5.334 25.069 11 HE3 MET 1 HE3 MET 1 -11.400 -5.899 24.011 12 H VAL 2 H VAL 2 -11.082 -1.299 21.688 13 HA VAL 2 HA VAL 2 -9.106 -1.458 19.588 14 HB VAL 2 HB VAL 2 -9.091 0.349 22.013 15 HG11 VAL 2 HG11 VAL 2 -7.710 0.570 19.342 16 HG12 VAL 2 HG12 VAL 2 -6.941 0.210 20.889 17 HG13 VAL 2 HG13 VAL 2 -7.680 1.788 20.614 18 HG21 VAL 2 HG21 VAL 2 -10.276 0.835 19.284 19 HG22 VAL 2 HG22 VAL 2 -10.114 2.042 20.559 20 HG23 VAL 2 HG23 VAL 2 -11.169 0.648 20.794 21 H LYS 3 H LYS 3 -8.173 -3.485 19.971 22 HA LYS 3 HA LYS 3 -6.474 -3.599 22.367 23 HB2 LYS 3 HB2 LYS 3 -6.718 -6.067 22.309 24 HB3 LYS 3 HB3 LYS 3 -8.228 -5.225 22.614 25 HG2 LYS 3 HG2 LYS 3 -8.908 -6.816 21.120 26 HG3 LYS 3 HG3 LYS 3 -8.550 -5.479 20.028 27 HD2 LYS 3 HD2 LYS 3 -7.647 -7.582 19.172 28 HD3 LYS 3 HD3 LYS 3 -6.351 -6.450 19.560 29 HE2 LYS 3 HE2 LYS 3 -5.989 -7.595 21.692 30 HE3 LYS 3 HE3 LYS 3 -7.292 -8.719 21.312 31 HZ1 LYS 3 HZ1 LYS 3 -4.772 -8.414 19.768 32 HZ2 LYS 3 HZ2 LYS 3 -6.024 -9.506 19.421 33 HZ3 LYS 3 HZ3 LYS 3 -5.127 -9.675 20.845 34 H LEU 4 H LEU 4 -6.447 -3.336 19.067 35 HA LEU 4 HA LEU 4 -4.007 -4.831 18.623 36 HB2 LEU 4 HB2 LEU 4 -5.945 -4.149 16.926 37 HB3 LEU 4 HB3 LEU 4 -4.962 -2.710 16.745 38 HG LEU 4 HG LEU 4 -4.483 -4.336 14.988 39 HD11 LEU 4 HD11 LEU 4 -2.214 -4.026 16.949 40 HD12 LEU 4 HD12 LEU 4 -2.654 -2.905 15.661 41 HD13 LEU 4 HD13 LEU 4 -2.043 -4.509 15.262 42 HD21 LEU 4 HD21 LEU 4 -3.650 -6.166 17.235 43 HD22 LEU 4 HD22 LEU 4 -3.450 -6.483 15.512 44 HD23 LEU 4 HD23 LEU 4 -5.068 -6.363 16.204 45 H ALA 5 H ALA 5 -4.899 -1.405 18.292 46 HA ALA 5 HA ALA 5 -2.272 -0.571 19.219 47 HB1 ALA 5 HB1 ALA 5 -4.715 1.064 18.500 48 HB2 ALA 5 HB2 ALA 5 -3.357 0.712 17.428 49 HB3 ALA 5 HB3 ALA 5 -3.115 1.708 18.865 50 H PHE 6 H PHE 6 -1.985 0.562 21.212 51 HA PHE 6 HA PHE 6 -3.890 -0.380 23.201 52 HB2 PHE 6 HB2 PHE 6 -1.109 0.754 23.569 53 HB3 PHE 6 HB3 PHE 6 -2.106 0.035 24.831 54 HD1 PHE 6 HD1 PHE 6 -2.729 -2.394 24.645 55 HD2 PHE 6 HD2 PHE 6 0.226 -0.584 22.175 56 HE1 PHE 6 HE1 PHE 6 -1.828 -4.617 24.097 57 HE2 PHE 6 HE2 PHE 6 1.133 -2.803 21.626 58 HZ PHE 6 HZ PHE 6 0.105 -4.824 22.586 59 HA PRO 7 HA PRO 7 -5.912 3.290 24.317 60 HB2 PRO 7 HB2 PRO 7 -4.668 3.103 27.024 61 HB3 PRO 7 HB3 PRO 7 -6.365 3.309 26.574 62 HG2 PRO 7 HG2 PRO 7 -5.472 0.946 27.377 63 HG3 PRO 7 HG3 PRO 7 -6.635 1.068 26.044 64 HD2 PRO 7 HD2 PRO 7 -3.711 0.493 25.962 65 HD3 PRO 7 HD3 PRO 7 -5.015 -0.121 24.926 66 H ARG 8 H ARG 8 -2.503 3.207 25.270 67 HA ARG 8 HA ARG 8 -2.375 6.035 25.691 68 HB2 ARG 8 HB2 ARG 8 0.096 5.677 25.797 69 HB3 ARG 8 HB3 ARG 8 -0.836 4.713 26.931 70 HG2 ARG 8 HG2 ARG 8 -0.590 2.765 25.501 71 HG3 ARG 8 HG3 ARG 8 0.302 3.728 24.323 72 HD2 ARG 8 HD2 ARG 8 1.807 2.416 25.729 73 HD3 ARG 8 HD3 ARG 8 2.049 4.148 25.961 74 HE ARG 8 HE ARG 8 0.477 3.746 27.981 75 HH11 ARG 8 HH11 ARG 8 2.966 1.563 26.813 76 HH12 ARG 8 HH12 ARG 8 3.217 0.829 28.369 77 HH21 ARG 8 HH21 ARG 8 0.817 2.755 30.035 78 HH22 ARG 8 HH22 ARG 8 2.002 1.484 30.177 79 H GLU 9 H GLU 9 -1.617 3.882 22.980 80 HA GLU 9 HA GLU 9 -0.549 5.983 21.349 81 HB2 GLU 9 HB2 GLU 9 -1.581 3.223 20.684 82 HB3 GLU 9 HB3 GLU 9 -0.999 4.336 19.457 83 HG2 GLU 9 HG2 GLU 9 0.763 2.838 19.951 84 HG3 GLU 9 HG3 GLU 9 1.189 4.396 20.657 85 H LEU 10 H LEU 10 -3.699 4.571 21.888 86 HA LEU 10 HA LEU 10 -5.017 5.837 19.710 87 HB2 LEU 10 HB2 LEU 10 -5.869 3.813 20.834 88 HB3 LEU 10 HB3 LEU 10 -6.155 4.750 22.288 89 HG LEU 10 HG LEU 10 -7.771 6.152 20.964 90 HD11 LEU 10 HD11 LEU 10 -7.406 3.954 18.936 91 HD12 LEU 10 HD12 LEU 10 -6.939 5.643 18.738 92 HD13 LEU 10 HD13 LEU 10 -8.643 5.210 18.885 93 HD21 LEU 10 HD21 LEU 10 -8.510 4.390 22.485 94 HD22 LEU 10 HD22 LEU 10 -8.379 3.206 21.185 95 HD23 LEU 10 HD23 LEU 10 -9.565 4.505 21.077 96 H ARG 11 H ARG 11 -3.926 6.980 22.730 97 HA ARG 11 HA ARG 11 -5.878 9.170 22.751 98 HB2 ARG 11 HB2 ARG 11 -5.359 7.705 24.811 99 HB3 ARG 11 HB3 ARG 11 -3.860 8.618 24.912 100 HG2 ARG 11 HG2 ARG 11 -5.261 10.706 24.971 101 HG3 ARG 11 HG3 ARG 11 -6.670 9.658 25.153 102 HD2 ARG 11 HD2 ARG 11 -5.898 10.454 27.320 103 HD3 ARG 11 HD3 ARG 11 -5.693 8.708 27.190 104 HE ARG 11 HE ARG 11 -3.426 8.984 27.360 105 HH11 ARG 11 HH11 ARG 11 -4.900 12.091 26.656 106 HH12 ARG 11 HH12 ARG 11 -3.415 12.977 26.861 107 HH21 ARG 11 HH21 ARG 11 -1.488 10.168 27.661 108 HH22 ARG 11 HH22 ARG 11 -1.495 11.888 27.422 109 H LEU 12 H LEU 12 -3.137 8.659 21.234 110 HA LEU 12 HA LEU 12 -1.579 10.932 22.057 111 HB2 LEU 12 HB2 LEU 12 -1.357 9.098 19.673 112 HB3 LEU 12 HB3 LEU 12 -0.237 10.408 19.997 113 HG LEU 12 HG LEU 12 -0.702 8.009 21.772 114 HD11 LEU 12 HD11 LEU 12 1.557 7.366 21.110 115 HD12 LEU 12 HD12 LEU 12 1.632 8.746 20.013 116 HD13 LEU 12 HD13 LEU 12 0.477 7.446 19.719 117 HD21 LEU 12 HD21 LEU 12 1.277 10.271 22.029 118 HD22 LEU 12 HD22 LEU 12 1.195 8.841 23.058 119 HD23 LEU 12 HD23 LEU 12 -0.129 10.006 23.059 120 H LEU 13 H LEU 13 -0.819 12.420 20.165 121 HA LEU 13 HA LEU 13 -3.155 13.885 19.375 122 HB2 LEU 13 HB2 LEU 13 -1.652 15.590 18.609 123 HB3 LEU 13 HB3 LEU 13 -1.114 15.023 20.175 124 HG LEU 13 HG LEU 13 0.123 14.090 17.584 125 HD11 LEU 13 HD11 LEU 13 0.983 16.331 19.408 126 HD12 LEU 13 HD12 LEU 13 0.379 16.499 17.760 127 HD13 LEU 13 HD13 LEU 13 1.919 15.691 18.056 128 HD21 LEU 13 HD21 LEU 13 1.963 13.390 18.992 129 HD22 LEU 13 HD22 LEU 13 0.466 12.656 19.571 130 HD23 LEU 13 HD23 LEU 13 1.156 14.040 20.420 131 H THR 14 H THR 14 -3.743 14.451 17.281 132 HA THR 14 HA THR 14 -4.473 13.845 15.229 133 HB THR 14 HB THR 14 -2.665 13.482 13.509 134 HG1 THR 14 HG1 THR 14 -1.209 12.867 15.598 135 HG21 THR 14 HG21 THR 14 -1.829 15.777 13.663 136 HG22 THR 14 HG22 THR 14 -2.369 15.863 15.339 137 HG23 THR 14 HG23 THR 14 -3.551 15.699 14.041 138 HA PRO 15 HA PRO 15 -4.280 9.280 15.997 139 HB2 PRO 15 HB2 PRO 15 -7.181 9.414 16.138 140 HB3 PRO 15 HB3 PRO 15 -6.034 8.866 17.364 141 HG2 PRO 15 HG2 PRO 15 -7.486 11.149 17.612 142 HG3 PRO 15 HG3 PRO 15 -5.882 10.938 18.336 143 HD2 PRO 15 HD2 PRO 15 -6.654 12.368 15.819 144 HD3 PRO 15 HD3 PRO 15 -5.491 12.845 17.075 145 H SER 16 H SER 16 -3.663 9.633 13.674 146 HA SER 16 HA SER 16 -5.876 8.837 11.900 147 HB2 SER 16 HB2 SER 16 -5.020 11.042 11.282 148 HB3 SER 16 HB3 SER 16 -3.373 10.416 11.237 149 HG SER 16 HG SER 16 -4.955 10.564 9.225 150 H GLN 17 H GLN 17 -5.493 7.160 10.450 151 HA GLN 17 HA GLN 17 -3.674 5.164 11.270 152 HB2 GLN 17 HB2 GLN 17 -4.976 5.342 8.547 153 HB3 GLN 17 HB3 GLN 17 -4.398 3.895 9.359 154 HG2 GLN 17 HG2 GLN 17 -6.606 3.666 9.782 155 HG3 GLN 17 HG3 GLN 17 -6.179 4.665 11.171 156 HE21 GLN 17 HE21 GLN 17 -7.756 4.554 8.083 157 HE22 GLN 17 HE22 GLN 17 -8.578 6.082 8.226 158 H PHE 18 H PHE 18 -3.462 7.806 9.038 159 HA PHE 18 HA PHE 18 -1.167 6.859 7.619 160 HB2 PHE 18 HB2 PHE 18 -2.352 9.633 7.854 161 HB3 PHE 18 HB3 PHE 18 -1.050 9.192 6.752 162 HD1 PHE 18 HD1 PHE 18 -1.484 7.620 4.895 163 HD2 PHE 18 HD2 PHE 18 -4.615 9.121 7.355 164 HE1 PHE 18 HE1 PHE 18 -3.134 6.936 3.205 165 HE2 PHE 18 HE2 PHE 18 -6.273 8.434 5.670 166 HZ PHE 18 HZ PHE 18 -5.532 7.341 3.591 167 H THR 19 H THR 19 -1.684 8.441 10.626 168 HA THR 19 HA THR 19 1.060 9.323 10.898 169 HB THR 19 HB THR 19 -0.996 9.076 13.103 170 HG1 THR 19 HG1 THR 19 -1.144 11.488 12.471 171 HG21 THR 19 HG21 THR 19 1.305 9.504 13.829 172 HG22 THR 19 HG22 THR 19 0.281 10.913 14.116 173 HG23 THR 19 HG23 THR 19 1.392 10.894 12.747 174 H PHE 20 H PHE 20 -1.019 6.709 11.993 175 HA PHE 20 HA PHE 20 0.826 5.509 13.777 176 HB2 PHE 20 HB2 PHE 20 -1.619 5.162 13.872 177 HB3 PHE 20 HB3 PHE 20 -1.547 4.301 12.340 178 HD1 PHE 20 HD1 PHE 20 -0.242 4.196 15.820 179 HD2 PHE 20 HD2 PHE 20 -1.261 1.999 12.321 180 HE1 PHE 20 HE1 PHE 20 0.119 2.093 17.041 181 HE2 PHE 20 HE2 PHE 20 -0.896 -0.112 13.534 182 HZ PHE 20 HZ PHE 20 -0.208 -0.065 15.900 183 H VAL 21 H VAL 21 0.144 5.117 10.352 184 HA VAL 21 HA VAL 21 1.634 2.715 10.018 185 HB VAL 21 HB VAL 21 -0.173 3.518 8.472 186 HG11 VAL 21 HG11 VAL 21 0.417 5.089 6.696 187 HG12 VAL 21 HG12 VAL 21 1.972 5.379 7.473 188 HG13 VAL 21 HG13 VAL 21 0.480 5.848 8.287 189 HG21 VAL 21 HG21 VAL 21 2.481 2.843 7.217 190 HG22 VAL 21 HG22 VAL 21 0.919 2.727 6.412 191 HG23 VAL 21 HG23 VAL 21 1.272 1.701 7.802 192 H PHE 22 H PHE 22 2.565 5.971 10.381 193 HA PHE 22 HA PHE 22 4.895 5.901 8.722 194 HB2 PHE 22 HB2 PHE 22 3.654 7.989 9.277 195 HB3 PHE 22 HB3 PHE 22 4.212 7.842 10.939 196 HD1 PHE 22 HD1 PHE 22 5.497 8.052 7.455 197 HD2 PHE 22 HD2 PHE 22 6.174 8.884 11.572 198 HE1 PHE 22 HE1 PHE 22 7.535 9.295 6.863 199 HE2 PHE 22 HE2 PHE 22 8.213 10.128 10.989 200 HZ PHE 22 HZ PHE 22 8.897 10.334 8.631 201 H GLN 23 H GLN 23 4.182 4.953 11.969 202 HA GLN 23 HA GLN 23 6.715 5.207 13.153 203 HB2 GLN 23 HB2 GLN 23 4.589 3.127 13.692 204 HB3 GLN 23 HB3 GLN 23 5.954 3.481 14.742 205 HG2 GLN 23 HG2 GLN 23 5.097 5.774 15.023 206 HG3 GLN 23 HG3 GLN 23 3.695 5.342 14.045 207 HE21 GLN 23 HE21 GLN 23 3.852 6.232 16.823 208 HE22 GLN 23 HE22 GLN 23 3.096 4.985 17.760 209 H GLN 24 H GLN 24 5.258 2.153 12.062 210 HA GLN 24 HA GLN 24 7.710 1.385 10.732 211 HB2 GLN 24 HB2 GLN 24 8.139 0.707 13.049 212 HB3 GLN 24 HB3 GLN 24 6.624 -0.186 13.079 213 HG2 GLN 24 HG2 GLN 24 7.458 -1.752 11.454 214 HG3 GLN 24 HG3 GLN 24 8.936 -0.809 11.254 215 HE21 GLN 24 HE21 GLN 24 8.520 -3.609 12.116 216 HE22 GLN 24 HE22 GLN 24 9.312 -3.732 13.654 217 HA PRO 25 HA PRO 25 3.925 -0.124 8.694 218 HB2 PRO 25 HB2 PRO 25 4.535 0.668 6.215 219 HB3 PRO 25 HB3 PRO 25 3.965 1.810 7.438 220 HG2 PRO 25 HG2 PRO 25 6.738 1.323 6.449 221 HG3 PRO 25 HG3 PRO 25 5.950 2.849 6.882 222 HD2 PRO 25 HD2 PRO 25 7.683 1.420 8.514 223 HD3 PRO 25 HD3 PRO 25 6.523 2.642 9.073 224 H GLN 26 H GLN 26 3.533 -1.980 7.564 225 HA GLN 26 HA GLN 26 5.704 -3.768 7.017 226 HB2 GLN 26 HB2 GLN 26 2.810 -4.002 6.159 227 HB3 GLN 26 HB3 GLN 26 3.992 -5.301 6.229 228 HG2 GLN 26 HG2 GLN 26 2.836 -3.792 8.563 229 HG3 GLN 26 HG3 GLN 26 2.493 -5.459 8.101 230 HE21 GLN 26 HE21 GLN 26 4.035 -7.053 8.485 231 HE22 GLN 26 HE22 GLN 26 5.359 -6.798 9.579 232 H ARG 27 H ARG 27 6.994 -3.440 5.330 233 HA ARG 27 HA ARG 27 6.234 -1.778 3.133 234 HB2 ARG 27 HB2 ARG 27 8.584 -2.130 4.191 235 HB3 ARG 27 HB3 ARG 27 8.663 -3.545 3.150 236 HG2 ARG 27 HG2 ARG 27 8.073 -1.907 1.249 237 HG3 ARG 27 HG3 ARG 27 8.559 -0.653 2.392 238 HD2 ARG 27 HD2 ARG 27 10.218 -2.894 1.263 239 HD3 ARG 27 HD3 ARG 27 10.475 -1.158 1.093 240 HE ARG 27 HE ARG 27 11.020 -1.144 3.504 241 HH11 ARG 27 HH11 ARG 27 11.236 -4.113 1.675 242 HH12 ARG 27 HH12 ARG 27 12.330 -4.885 2.779 243 HH21 ARG 27 HH21 ARG 27 12.504 -2.120 4.960 244 HH22 ARG 27 HH22 ARG 27 13.063 -3.734 4.648 245 H ALA 28 H ALA 28 4.664 -2.641 1.864 246 HA ALA 28 HA ALA 28 5.149 -5.311 0.725 247 HB1 ALA 28 HB1 ALA 28 2.783 -5.324 0.123 248 HB2 ALA 28 HB2 ALA 28 2.595 -3.701 0.790 249 HB3 ALA 28 HB3 ALA 28 2.991 -5.051 1.854 250 H GLY 29 H GLY 29 5.126 -5.595 -1.500 251 HA2 GLY 29 HA2 GLY 29 4.795 -4.884 -3.733 252 HA3 GLY 29 HA3 GLY 29 4.797 -3.219 -3.173 253 H THR 30 H THR 30 6.419 -2.205 -4.105 254 HA THR 30 HA THR 30 9.085 -3.448 -4.088 255 HB THR 30 HB THR 30 9.459 -2.461 -6.371 256 HG1 THR 30 HG1 THR 30 6.649 -2.336 -6.621 257 HG21 THR 30 HG21 THR 30 9.003 -4.846 -6.133 258 HG22 THR 30 HG22 THR 30 8.264 -4.216 -7.606 259 HG23 THR 30 HG23 THR 30 7.270 -4.530 -6.184 260 HA PRO 31 HA PRO 31 10.486 0.666 -2.942 261 HB2 PRO 31 HB2 PRO 31 12.729 1.023 -4.447 262 HB3 PRO 31 HB3 PRO 31 12.670 -0.026 -3.027 263 HG2 PRO 31 HG2 PRO 31 12.476 -0.749 -5.924 264 HG3 PRO 31 HG3 PRO 31 13.383 -1.551 -4.627 265 HD2 PRO 31 HD2 PRO 31 11.012 -2.485 -5.509 266 HD3 PRO 31 HD3 PRO 31 11.516 -2.635 -3.815 267 H GLN 32 H GLN 32 9.270 -0.018 -5.960 268 HA GLN 32 HA GLN 32 9.499 2.747 -6.914 269 HB2 GLN 32 HB2 GLN 32 10.020 0.948 -8.525 270 HB3 GLN 32 HB3 GLN 32 8.405 0.291 -8.308 271 HG2 GLN 32 HG2 GLN 32 8.602 1.578 -10.369 272 HG3 GLN 32 HG3 GLN 32 7.428 2.288 -9.263 273 HE21 GLN 32 HE21 GLN 32 10.562 2.637 -10.726 274 HE22 GLN 32 HE22 GLN 32 10.790 4.302 -10.321 275 H ILE 33 H ILE 33 7.061 0.214 -6.399 276 HA ILE 33 HA ILE 33 5.209 2.343 -5.583 277 HB ILE 33 HB ILE 33 4.301 1.390 -7.584 278 HG12 ILE 33 HG12 ILE 33 2.864 0.207 -5.199 279 HG13 ILE 33 HG13 ILE 33 2.715 1.870 -5.757 280 HG21 ILE 33 HG21 ILE 33 5.543 -0.689 -7.660 281 HG22 ILE 33 HG22 ILE 33 3.816 -0.998 -7.842 282 HG23 ILE 33 HG23 ILE 33 4.612 -1.318 -6.301 283 HD11 ILE 33 HD11 ILE 33 1.777 1.062 -7.869 284 HD12 ILE 33 HD12 ILE 33 0.822 0.557 -6.475 285 HD13 ILE 33 HD13 ILE 33 1.894 -0.596 -7.276 286 H THR 34 H THR 34 5.414 2.362 -3.461 287 HA THR 34 HA THR 34 5.770 -0.171 -2.033 288 HB THR 34 HB THR 34 6.232 2.619 -0.973 289 HG1 THR 34 HG1 THR 34 7.805 0.943 -2.582 290 HG21 THR 34 HG21 THR 34 7.239 -0.082 -0.066 291 HG22 THR 34 HG22 THR 34 5.967 0.854 0.719 292 HG23 THR 34 HG23 THR 34 7.620 1.469 0.680 293 H ILE 35 H ILE 35 3.957 -1.001 -1.244 294 HA ILE 35 HA ILE 35 1.812 0.758 -0.330 295 HB ILE 35 HB ILE 35 1.880 -2.268 -0.487 296 HG12 ILE 35 HG12 ILE 35 0.064 -1.729 -2.293 297 HG13 ILE 35 HG13 ILE 35 0.843 -0.151 -2.350 298 HG21 ILE 35 HG21 ILE 35 0.387 -1.501 1.260 299 HG22 ILE 35 HG22 ILE 35 -0.543 -2.132 -0.099 300 HG23 ILE 35 HG23 ILE 35 -0.393 -0.390 0.135 301 HD11 ILE 35 HD11 ILE 35 1.683 -1.606 -4.095 302 HD12 ILE 35 HD12 ILE 35 2.166 -2.801 -2.889 303 HD13 ILE 35 HD13 ILE 35 2.958 -1.226 -2.937 304 H LEU 36 H LEU 36 1.875 1.439 1.708 305 HA LEU 36 HA LEU 36 3.391 -0.119 3.667 306 HB2 LEU 36 HB2 LEU 36 2.261 2.677 3.850 307 HB3 LEU 36 HB3 LEU 36 3.246 1.896 5.073 308 HG LEU 36 HG LEU 36 4.135 2.648 2.290 309 HD11 LEU 36 HD11 LEU 36 5.593 4.233 3.462 310 HD12 LEU 36 HD12 LEU 36 4.854 3.768 4.994 311 HD13 LEU 36 HD13 LEU 36 3.886 4.565 3.755 312 HD21 LEU 36 HD21 LEU 36 5.196 0.576 3.075 313 HD22 LEU 36 HD22 LEU 36 5.709 1.403 4.547 314 HD23 LEU 36 HD23 LEU 36 6.347 1.907 2.982 315 H GLY 37 H GLY 37 2.348 -1.444 4.987 316 HA2 GLY 37 HA2 GLY 37 -0.514 -0.905 5.476 317 HA3 GLY 37 HA3 GLY 37 0.177 -2.517 5.370 318 H ARG 38 H ARG 38 -1.256 -0.753 7.473 319 HA ARG 38 HA ARG 38 0.232 -1.958 9.668 320 HB2 ARG 38 HB2 ARG 38 -0.396 0.963 9.433 321 HB3 ARG 38 HB3 ARG 38 -0.358 0.201 11.015 322 HG2 ARG 38 HG2 ARG 38 1.900 0.306 9.032 323 HG3 ARG 38 HG3 ARG 38 1.758 1.249 10.516 324 HD2 ARG 38 HD2 ARG 38 1.963 -1.753 10.333 325 HD3 ARG 38 HD3 ARG 38 3.253 -0.654 10.818 326 HE ARG 38 HE ARG 38 0.791 -0.620 12.385 327 HH11 ARG 38 HH11 ARG 38 4.154 -1.548 12.103 328 HH12 ARG 38 HH12 ARG 38 4.327 -1.914 13.798 329 HH21 ARG 38 HH21 ARG 38 1.015 -1.108 14.619 330 HH22 ARG 38 HH22 ARG 38 2.533 -1.695 15.222 331 H LEU 39 H LEU 39 -1.179 -3.289 10.533 332 HA LEU 39 HA LEU 39 -3.979 -3.031 10.259 333 HB2 LEU 39 HB2 LEU 39 -2.832 -5.193 10.545 334 HB3 LEU 39 HB3 LEU 39 -2.381 -4.734 12.175 335 HG LEU 39 HG LEU 39 -4.773 -4.669 12.800 336 HD11 LEU 39 HD11 LEU 39 -5.724 -4.169 10.616 337 HD12 LEU 39 HD12 LEU 39 -6.432 -5.638 11.290 338 HD13 LEU 39 HD13 LEU 39 -5.214 -5.749 10.021 339 HD21 LEU 39 HD21 LEU 39 -3.847 -7.262 11.573 340 HD22 LEU 39 HD22 LEU 39 -5.121 -7.088 12.781 341 HD23 LEU 39 HD23 LEU 39 -3.454 -6.678 13.190 342 H ASN 40 H ASN 40 -5.373 -1.895 11.402 343 HA ASN 40 HA ASN 40 -4.612 -1.011 14.100 344 HB2 ASN 40 HB2 ASN 40 -4.447 0.859 12.471 345 HB3 ASN 40 HB3 ASN 40 -6.139 0.616 12.049 346 HD21 ASN 40 HD21 ASN 40 -6.566 2.769 12.672 347 HD22 ASN 40 HD22 ASN 40 -6.698 3.205 14.339 348 H SER 41 H SER 41 -6.329 -0.835 15.588 349 HA SER 41 HA SER 41 -8.231 -2.940 15.227 350 HB2 SER 41 HB2 SER 41 -8.885 -1.938 17.627 351 HB3 SER 41 HB3 SER 41 -7.487 -2.984 17.378 352 HG SER 41 HG SER 41 -7.589 -0.194 17.737 353 H LEU 42 H LEU 42 -8.657 -0.576 13.545 354 HA LEU 42 HA LEU 42 -11.340 0.185 14.479 355 HB2 LEU 42 HB2 LEU 42 -9.603 1.422 12.337 356 HB3 LEU 42 HB3 LEU 42 -11.239 1.928 12.704 357 HG LEU 42 HG LEU 42 -8.859 2.132 14.555 358 HD11 LEU 42 HD11 LEU 42 -10.470 4.237 13.120 359 HD12 LEU 42 HD12 LEU 42 -8.821 3.748 12.735 360 HD13 LEU 42 HD13 LEU 42 -9.169 4.538 14.273 361 HD21 LEU 42 HD21 LEU 42 -10.389 3.348 16.042 362 HD22 LEU 42 HD22 LEU 42 -10.885 1.669 15.814 363 HD23 LEU 42 HD23 LEU 42 -11.729 2.964 14.961 364 H GLY 43 H GLY 43 -9.614 -1.737 12.251 365 HA2 GLY 43 HA2 GLY 43 -10.230 -3.006 10.437 366 HA3 GLY 43 HA3 GLY 43 -11.853 -2.973 11.119 367 H HIS 44 H HIS 44 -9.644 -0.686 9.527 368 HA HIS 44 HA HIS 44 -11.995 0.507 8.230 369 HB2 HIS 44 HB2 HIS 44 -10.527 1.860 9.833 370 HB3 HIS 44 HB3 HIS 44 -9.294 1.804 8.578 371 HD1 HIS 44 HD1 HIS 44 -12.764 3.135 9.226 372 HD2 HIS 44 HD2 HIS 44 -9.603 3.659 6.572 373 HE1 HIS 44 HE1 HIS 44 -13.350 5.169 7.868 374 HE2 HIS 44 HE2 HIS 44 -11.324 5.593 6.428 375 HA PRO 45 HA PRO 45 -9.850 -1.156 4.631 376 HB2 PRO 45 HB2 PRO 45 -12.057 -1.711 3.185 377 HB3 PRO 45 HB3 PRO 45 -11.499 -2.743 4.504 378 HG2 PRO 45 HG2 PRO 45 -13.806 -0.908 4.399 379 HG3 PRO 45 HG3 PRO 45 -13.545 -2.330 5.419 380 HD2 PRO 45 HD2 PRO 45 -13.204 0.423 6.117 381 HD3 PRO 45 HD3 PRO 45 -12.883 -1.002 7.123 382 H ARG 46 H ARG 46 -8.911 0.788 3.984 383 HA ARG 46 HA ARG 46 -10.345 2.117 1.810 384 HB2 ARG 46 HB2 ARG 46 -9.136 3.475 4.199 385 HB3 ARG 46 HB3 ARG 46 -9.201 4.297 2.650 386 HG2 ARG 46 HG2 ARG 46 -11.594 3.206 4.114 387 HG3 ARG 46 HG3 ARG 46 -11.057 4.887 4.154 388 HD2 ARG 46 HD2 ARG 46 -11.219 4.774 1.588 389 HD3 ARG 46 HD3 ARG 46 -12.185 3.323 1.855 390 HE ARG 46 HE ARG 46 -13.330 5.206 3.470 391 HH11 ARG 46 HH11 ARG 46 -12.621 4.992 0.040 392 HH12 ARG 46 HH12 ARG 46 -13.917 6.056 -0.423 393 HH21 ARG 46 HH21 ARG 46 -15.019 6.621 2.857 394 HH22 ARG 46 HH22 ARG 46 -15.246 7.018 1.179 395 H ILE 47 H ILE 47 -8.815 3.473 0.492 396 HA ILE 47 HA ILE 47 -6.098 2.343 0.550 397 HB ILE 47 HB ILE 47 -7.501 1.507 -1.368 398 HG12 ILE 47 HG12 ILE 47 -5.021 3.128 -1.979 399 HG13 ILE 47 HG13 ILE 47 -5.105 1.419 -1.552 400 HG21 ILE 47 HG21 ILE 47 -8.800 3.517 -1.789 401 HG22 ILE 47 HG22 ILE 47 -7.942 3.013 -3.244 402 HG23 ILE 47 HG23 ILE 47 -7.342 4.371 -2.294 403 HD11 ILE 47 HD11 ILE 47 -6.166 2.654 -4.085 404 HD12 ILE 47 HD12 ILE 47 -6.238 0.945 -3.654 405 HD13 ILE 47 HD13 ILE 47 -4.678 1.721 -3.922 406 H GLY 48 H GLY 48 -4.426 3.773 0.367 407 HA2 GLY 48 HA2 GLY 48 -5.188 6.622 0.113 408 HA3 GLY 48 HA3 GLY 48 -4.023 6.055 1.301 409 H LEU 49 H LEU 49 -4.622 6.311 -2.176 410 HA LEU 49 HA LEU 49 -1.937 5.711 -2.918 411 HB2 LEU 49 HB2 LEU 49 -3.789 5.388 -4.474 412 HB3 LEU 49 HB3 LEU 49 -4.135 7.106 -4.451 413 HG LEU 49 HG LEU 49 -1.921 7.536 -5.478 414 HD11 LEU 49 HD11 LEU 49 -0.799 5.508 -4.659 415 HD12 LEU 49 HD12 LEU 49 -0.640 5.704 -6.404 416 HD13 LEU 49 HD13 LEU 49 -1.787 4.536 -5.749 417 HD21 LEU 49 HD21 LEU 49 -2.518 6.691 -7.710 418 HD22 LEU 49 HD22 LEU 49 -3.897 7.405 -6.872 419 HD23 LEU 49 HD23 LEU 49 -3.738 5.650 -6.975 420 H THR 50 H THR 50 -0.320 6.945 -2.295 421 HA THR 50 HA THR 50 -0.687 9.843 -2.103 422 HB THR 50 HB THR 50 1.600 8.129 -1.109 423 HG1 THR 50 HG1 THR 50 -0.432 7.727 -0.053 424 HG21 THR 50 HG21 THR 50 2.250 10.459 -1.478 425 HG22 THR 50 HG22 THR 50 2.173 10.100 0.247 426 HG23 THR 50 HG23 THR 50 0.871 11.007 -0.524 427 H VAL 51 H VAL 51 -0.194 10.928 -3.891 428 HA VAL 51 HA VAL 51 2.217 10.150 -5.383 429 HB VAL 51 HB VAL 51 1.092 10.847 -7.486 430 HG11 VAL 51 HG11 VAL 51 1.223 8.489 -6.897 431 HG12 VAL 51 HG12 VAL 51 -0.282 8.838 -7.747 432 HG13 VAL 51 HG13 VAL 51 -0.287 8.615 -5.997 433 HG21 VAL 51 HG21 VAL 51 -0.628 12.300 -6.556 434 HG22 VAL 51 HG22 VAL 51 -1.401 10.916 -5.782 435 HG23 VAL 51 HG23 VAL 51 -1.356 11.032 -7.542 436 H ALA 52 H ALA 52 3.580 11.780 -5.875 437 HA ALA 52 HA ALA 52 2.851 14.471 -5.014 438 HB1 ALA 52 HB1 ALA 52 5.232 14.986 -5.293 439 HB2 ALA 52 HB2 ALA 52 5.506 13.362 -5.925 440 HB3 ALA 52 HB3 ALA 52 4.996 13.582 -4.252 441 H LYS 53 H LYS 53 2.963 16.266 -6.391 442 HA LYS 53 HA LYS 53 1.935 15.727 -8.979 443 HB2 LYS 53 HB2 LYS 53 1.858 18.178 -9.237 444 HB3 LYS 53 HB3 LYS 53 1.155 17.636 -7.723 445 HG2 LYS 53 HG2 LYS 53 2.359 19.461 -7.036 446 HG3 LYS 53 HG3 LYS 53 3.520 18.165 -6.756 447 HD2 LYS 53 HD2 LYS 53 4.619 20.043 -7.821 448 HD3 LYS 53 HD3 LYS 53 4.570 18.674 -8.934 449 HE2 LYS 53 HE2 LYS 53 4.014 20.671 -10.141 450 HE3 LYS 53 HE3 LYS 53 2.565 19.678 -9.998 451 HZ1 LYS 53 HZ1 LYS 53 1.949 21.902 -9.525 452 HZ2 LYS 53 HZ2 LYS 53 3.248 22.115 -8.458 453 HZ3 LYS 53 HZ3 LYS 53 1.969 21.089 -8.035 454 H LYS 54 H LYS 54 5.023 15.412 -8.117 455 HA LYS 54 HA LYS 54 6.082 16.567 -10.592 456 HB2 LYS 54 HB2 LYS 54 8.326 16.054 -9.603 457 HB3 LYS 54 HB3 LYS 54 7.377 17.227 -8.705 458 HG2 LYS 54 HG2 LYS 54 6.753 15.493 -7.100 459 HG3 LYS 54 HG3 LYS 54 7.715 14.319 -8.000 460 HD2 LYS 54 HD2 LYS 54 8.931 15.184 -6.055 461 HD3 LYS 54 HD3 LYS 54 9.731 15.613 -7.569 462 HE2 LYS 54 HE2 LYS 54 8.734 17.844 -7.462 463 HE3 LYS 54 HE3 LYS 54 7.931 17.419 -5.953 464 HZ1 LYS 54 HZ1 LYS 54 10.059 17.175 -4.888 465 HZ2 LYS 54 HZ2 LYS 54 9.988 18.700 -5.630 466 HZ3 LYS 54 HZ3 LYS 54 10.877 17.450 -6.350 467 H ASN 55 H ASN 55 5.497 13.516 -8.971 468 HA ASN 55 HA ASN 55 6.788 12.116 -11.209 469 HB2 ASN 55 HB2 ASN 55 6.932 10.163 -9.799 470 HB3 ASN 55 HB3 ASN 55 7.598 11.540 -8.931 471 HD21 ASN 55 HD21 ASN 55 5.330 9.029 -8.914 472 HD22 ASN 55 HD22 ASN 55 4.560 9.423 -7.420 473 H VAL 56 H VAL 56 3.755 12.571 -9.543 474 HA VAL 56 HA VAL 56 2.434 11.367 -11.871 475 HB VAL 56 HB VAL 56 1.458 10.977 -9.025 476 HG11 VAL 56 HG11 VAL 56 -0.364 11.191 -10.608 477 HG12 VAL 56 HG12 VAL 56 -0.226 9.517 -10.069 478 HG13 VAL 56 HG13 VAL 56 0.377 9.984 -11.659 479 HG21 VAL 56 HG21 VAL 56 1.916 8.604 -9.361 480 HG22 VAL 56 HG22 VAL 56 3.394 9.557 -9.500 481 HG23 VAL 56 HG23 VAL 56 2.593 8.951 -10.951 482 H ARG 57 H ARG 57 1.688 13.179 -12.809 483 HA ARG 57 HA ARG 57 0.661 15.303 -11.038 484 HB2 ARG 57 HB2 ARG 57 1.513 16.880 -12.866 485 HB3 ARG 57 HB3 ARG 57 2.703 16.138 -11.809 486 HG2 ARG 57 HG2 ARG 57 2.040 14.855 -14.422 487 HG3 ARG 57 HG3 ARG 57 3.116 16.251 -14.371 488 HD2 ARG 57 HD2 ARG 57 4.809 15.062 -13.502 489 HD3 ARG 57 HD3 ARG 57 3.753 14.194 -12.388 490 HE ARG 57 HE ARG 57 3.112 12.955 -14.611 491 HH11 ARG 57 HH11 ARG 57 6.310 13.926 -13.515 492 HH12 ARG 57 HH12 ARG 57 7.121 12.662 -14.392 493 HH21 ARG 57 HH21 ARG 57 4.173 11.291 -15.713 494 HH22 ARG 57 HH22 ARG 57 5.909 11.158 -15.620 495 H ARG 58 H ARG 58 0.257 13.592 -14.057 496 HA ARG 58 HA ARG 58 -1.821 15.407 -14.961 497 HB2 ARG 58 HB2 ARG 58 -0.780 12.833 -16.161 498 HB3 ARG 58 HB3 ARG 58 -1.905 13.939 -16.941 499 HG2 ARG 58 HG2 ARG 58 -0.256 15.647 -17.073 500 HG3 ARG 58 HG3 ARG 58 0.852 14.738 -16.046 501 HD2 ARG 58 HD2 ARG 58 0.992 12.999 -17.784 502 HD3 ARG 58 HD3 ARG 58 -0.059 13.972 -18.816 503 HE ARG 58 HE ARG 58 1.750 15.735 -18.582 504 HH11 ARG 58 HH11 ARG 58 2.420 12.289 -18.509 505 HH12 ARG 58 HH12 ARG 58 4.066 12.479 -19.043 506 HH21 ARG 58 HH21 ARG 58 3.881 15.974 -19.292 507 HH22 ARG 58 HH22 ARG 58 4.904 14.581 -19.467 508 H ALA 59 H ALA 59 -3.976 14.840 -15.289 509 HA ALA 59 HA ALA 59 -5.180 13.374 -13.227 510 HB1 ALA 59 HB1 ALA 59 -6.323 15.180 -14.417 511 HB2 ALA 59 HB2 ALA 59 -7.269 13.691 -14.470 512 HB3 ALA 59 HB3 ALA 59 -6.350 14.203 -15.884 513 H HIS 60 H HIS 60 -4.445 12.551 -16.576 514 HA HIS 60 HA HIS 60 -5.687 10.038 -16.662 515 HB2 HIS 60 HB2 HIS 60 -4.839 11.254 -18.649 516 HB3 HIS 60 HB3 HIS 60 -3.191 10.944 -18.119 517 HD1 HIS 60 HD1 HIS 60 -2.208 9.190 -19.554 518 HD2 HIS 60 HD2 HIS 60 -6.217 8.441 -18.715 519 HE1 HIS 60 HE1 HIS 60 -2.738 6.989 -20.656 520 HE2 HIS 60 HE2 HIS 60 -5.194 6.602 -20.224 521 H GLU 61 H GLU 61 -2.617 11.069 -15.337 522 HA GLU 61 HA GLU 61 -1.551 8.436 -15.005 523 HB2 GLU 61 HB2 GLU 61 -0.775 10.996 -13.590 524 HB3 GLU 61 HB3 GLU 61 0.174 9.516 -13.657 525 HG2 GLU 61 HG2 GLU 61 0.401 9.775 -16.076 526 HG3 GLU 61 HG3 GLU 61 -0.546 11.258 -16.004 527 H ARG 62 H ARG 62 -3.203 10.770 -12.895 528 HA ARG 62 HA ARG 62 -3.088 9.056 -10.615 529 HB2 ARG 62 HB2 ARG 62 -4.506 11.624 -11.209 530 HB3 ARG 62 HB3 ARG 62 -4.922 10.701 -9.771 531 HG2 ARG 62 HG2 ARG 62 -3.281 11.809 -8.766 532 HG3 ARG 62 HG3 ARG 62 -2.179 10.773 -9.672 533 HD2 ARG 62 HD2 ARG 62 -1.364 12.864 -10.192 534 HD3 ARG 62 HD3 ARG 62 -2.474 12.586 -11.533 535 HE ARG 62 HE ARG 62 -4.081 14.008 -10.383 536 HH11 ARG 62 HH11 ARG 62 -0.759 14.130 -9.278 537 HH12 ARG 62 HH12 ARG 62 -0.930 15.686 -8.534 538 HH21 ARG 62 HH21 ARG 62 -4.292 16.092 -9.449 539 HH22 ARG 62 HH22 ARG 62 -2.921 16.813 -8.646 540 H ASN 63 H ASN 63 -5.101 9.134 -13.359 541 HA ASN 63 HA ASN 63 -7.217 7.566 -12.146 542 HB2 ASN 63 HB2 ASN 63 -6.540 8.232 -15.019 543 HB3 ASN 63 HB3 ASN 63 -7.864 7.161 -14.581 544 HD21 ASN 63 HD21 ASN 63 -8.695 8.594 -12.261 545 HD22 ASN 63 HD22 ASN 63 -9.414 10.076 -12.798 546 H ARG 64 H ARG 64 -4.532 7.046 -14.360 547 HA ARG 64 HA ARG 64 -4.765 4.337 -14.834 548 HB2 ARG 64 HB2 ARG 64 -3.267 5.594 -16.144 549 HB3 ARG 64 HB3 ARG 64 -2.422 6.216 -14.738 550 HG2 ARG 64 HG2 ARG 64 -1.508 3.974 -14.323 551 HG3 ARG 64 HG3 ARG 64 -2.319 3.396 -15.781 552 HD2 ARG 64 HD2 ARG 64 -0.997 4.735 -17.181 553 HD3 ARG 64 HD3 ARG 64 -0.444 5.736 -15.841 554 HE ARG 64 HE ARG 64 0.456 3.206 -15.282 555 HH11 ARG 64 HH11 ARG 64 0.822 5.461 -17.932 556 HH12 ARG 64 HH12 ARG 64 2.446 4.967 -18.303 557 HH21 ARG 64 HH21 ARG 64 2.592 2.553 -15.756 558 HH22 ARG 64 HH22 ARG 64 3.448 3.280 -17.080 559 H ILE 65 H ILE 65 -2.861 5.941 -12.277 560 HA ILE 65 HA ILE 65 -1.806 3.524 -11.248 561 HB ILE 65 HB ILE 65 -2.084 6.143 -9.763 562 HG12 ILE 65 HG12 ILE 65 -0.970 6.484 -11.928 563 HG13 ILE 65 HG13 ILE 65 0.165 6.669 -10.595 564 HG21 ILE 65 HG21 ILE 65 -0.171 3.835 -9.422 565 HG22 ILE 65 HG22 ILE 65 -1.485 4.274 -8.330 566 HG23 ILE 65 HG23 ILE 65 -0.105 5.356 -8.530 567 HD11 ILE 65 HD11 ILE 65 -0.116 4.223 -12.328 568 HD12 ILE 65 HD12 ILE 65 1.047 4.446 -11.019 569 HD13 ILE 65 HD13 ILE 65 1.144 5.451 -12.464 570 H LYS 66 H LYS 66 -4.787 5.251 -10.643 571 HA LYS 66 HA LYS 66 -5.464 3.985 -8.199 572 HB2 LYS 66 HB2 LYS 66 -7.144 5.302 -10.319 573 HB3 LYS 66 HB3 LYS 66 -7.866 4.528 -8.918 574 HG2 LYS 66 HG2 LYS 66 -6.423 6.050 -7.502 575 HG3 LYS 66 HG3 LYS 66 -6.073 6.932 -8.993 576 HD2 LYS 66 HD2 LYS 66 -8.511 7.235 -9.332 577 HD3 LYS 66 HD3 LYS 66 -8.793 6.456 -7.774 578 HE2 LYS 66 HE2 LYS 66 -8.879 8.763 -7.336 579 HE3 LYS 66 HE3 LYS 66 -7.291 8.242 -6.778 580 HZ1 LYS 66 HZ1 LYS 66 -6.494 8.969 -9.074 581 HZ2 LYS 66 HZ2 LYS 66 -6.888 10.189 -7.961 582 HZ3 LYS 66 HZ3 LYS 66 -7.974 9.794 -9.202 583 H ARG 67 H ARG 67 -6.202 3.207 -11.581 584 HA ARG 67 HA ARG 67 -7.926 1.045 -10.985 585 HB2 ARG 67 HB2 ARG 67 -6.316 1.400 -13.515 586 HB3 ARG 67 HB3 ARG 67 -7.806 0.490 -13.324 587 HG2 ARG 67 HG2 ARG 67 -8.917 2.674 -12.721 588 HG3 ARG 67 HG3 ARG 67 -7.436 3.468 -13.256 589 HD2 ARG 67 HD2 ARG 67 -8.833 3.527 -15.128 590 HD3 ARG 67 HD3 ARG 67 -7.746 2.174 -15.435 591 HE ARG 67 HE ARG 67 -9.892 1.025 -14.217 592 HH11 ARG 67 HH11 ARG 67 -9.405 2.966 -17.078 593 HH12 ARG 67 HH12 ARG 67 -10.876 2.449 -17.845 594 HH21 ARG 67 HH21 ARG 67 -11.798 0.291 -15.219 595 HH22 ARG 67 HH22 ARG 67 -12.248 0.907 -16.787 596 H LEU 68 H LEU 68 -4.473 1.315 -11.381 597 HA LEU 68 HA LEU 68 -3.932 -1.471 -11.589 598 HB2 LEU 68 HB2 LEU 68 -2.443 0.527 -12.236 599 HB3 LEU 68 HB3 LEU 68 -2.037 0.627 -10.538 600 HG LEU 68 HG LEU 68 -0.355 -0.557 -11.981 601 HD11 LEU 68 HD11 LEU 68 0.043 -2.394 -10.410 602 HD12 LEU 68 HD12 LEU 68 -1.568 -2.153 -9.732 603 HD13 LEU 68 HD13 LEU 68 -0.350 -0.887 -9.583 604 HD21 LEU 68 HD21 LEU 68 -0.835 -2.869 -12.629 605 HD22 LEU 68 HD22 LEU 68 -1.886 -1.721 -13.457 606 HD23 LEU 68 HD23 LEU 68 -2.505 -2.665 -12.100 607 H THR 69 H THR 69 -3.969 0.840 -8.902 608 HA THR 69 HA THR 69 -3.066 -1.145 -7.023 609 HB THR 69 HB THR 69 -3.509 0.720 -5.340 610 HG1 THR 69 HG1 THR 69 -3.609 2.410 -7.611 611 HG21 THR 69 HG21 THR 69 -1.621 1.256 -7.635 612 HG22 THR 69 HG22 THR 69 -1.284 0.248 -6.226 613 HG23 THR 69 HG23 THR 69 -1.526 1.985 -6.030 614 H ARG 70 H ARG 70 -6.104 0.674 -7.510 615 HA ARG 70 HA ARG 70 -7.302 -0.387 -5.175 616 HB2 ARG 70 HB2 ARG 70 -7.969 1.763 -6.205 617 HB3 ARG 70 HB3 ARG 70 -8.687 0.875 -7.543 618 HG2 ARG 70 HG2 ARG 70 -10.346 -0.073 -6.148 619 HG3 ARG 70 HG3 ARG 70 -9.519 0.465 -4.685 620 HD2 ARG 70 HD2 ARG 70 -9.962 2.795 -5.293 621 HD3 ARG 70 HD3 ARG 70 -10.784 2.256 -6.759 622 HE ARG 70 HE ARG 70 -12.522 1.343 -5.397 623 HH11 ARG 70 HH11 ARG 70 -10.216 3.322 -3.659 624 HH12 ARG 70 HH12 ARG 70 -11.257 3.571 -2.295 625 HH21 ARG 70 HH21 ARG 70 -13.902 1.679 -3.617 626 HH22 ARG 70 HH22 ARG 70 -13.348 2.622 -2.257 627 H GLU 71 H GLU 71 -7.294 -1.501 -8.523 628 HA GLU 71 HA GLU 71 -9.398 -3.378 -8.209 629 HB2 GLU 71 HB2 GLU 71 -8.565 -2.728 -10.438 630 HB3 GLU 71 HB3 GLU 71 -7.023 -3.499 -10.089 631 HG2 GLU 71 HG2 GLU 71 -8.063 -5.663 -10.004 632 HG3 GLU 71 HG3 GLU 71 -9.661 -4.943 -10.165 633 H SER 72 H SER 72 -5.968 -3.439 -7.529 634 HA SER 72 HA SER 72 -5.791 -6.217 -6.953 635 HB2 SER 72 HB2 SER 72 -3.860 -4.699 -7.540 636 HB3 SER 72 HB3 SER 72 -4.001 -4.002 -5.927 637 HG SER 72 HG SER 72 -2.436 -5.762 -6.211 638 H PHE 73 H PHE 73 -6.572 -3.351 -5.080 639 HA PHE 73 HA PHE 73 -6.664 -4.888 -2.602 640 HB2 PHE 73 HB2 PHE 73 -7.074 -1.942 -3.133 641 HB3 PHE 73 HB3 PHE 73 -7.164 -2.688 -1.542 642 HD1 PHE 73 HD2 PHE 73 -4.999 -4.354 -1.178 643 HD2 PHE 73 HD1 PHE 73 -5.137 -0.799 -3.511 644 HE1 PHE 73 HE2 PHE 73 -2.566 -4.095 -0.921 645 HE2 PHE 73 HE1 PHE 73 -2.705 -0.540 -3.265 646 HZ PHE 73 HZ PHE 73 -1.418 -2.187 -1.969 647 H ARG 74 H ARG 74 -8.611 -5.010 -4.980 648 HA ARG 74 HA ARG 74 -11.043 -4.877 -3.324 649 HB2 ARG 74 HB2 ARG 74 -11.070 -3.039 -4.940 650 HB3 ARG 74 HB3 ARG 74 -10.777 -4.161 -6.255 651 HG2 ARG 74 HG2 ARG 74 -13.215 -4.491 -4.566 652 HG3 ARG 74 HG3 ARG 74 -13.171 -3.238 -5.806 653 HD2 ARG 74 HD2 ARG 74 -12.494 -5.044 -7.434 654 HD3 ARG 74 HD3 ARG 74 -12.867 -6.212 -6.169 655 HE ARG 74 HE ARG 74 -15.099 -4.584 -6.447 656 HH11 ARG 74 HH11 ARG 74 -13.304 -6.876 -8.385 657 HH12 ARG 74 HH12 ARG 74 -14.667 -7.320 -9.365 658 HH21 ARG 74 HH21 ARG 74 -16.891 -5.160 -7.694 659 HH22 ARG 74 HH22 ARG 74 -16.731 -6.348 -8.963 660 H LEU 75 H LEU 75 -9.564 -6.295 -6.222 661 HA LEU 75 HA LEU 75 -11.517 -8.401 -6.366 662 HB2 LEU 75 HB2 LEU 75 -10.405 -7.337 -8.334 663 HB3 LEU 75 HB3 LEU 75 -8.907 -8.100 -7.847 664 HG LEU 75 HG LEU 75 -10.000 -10.321 -8.142 665 HD11 LEU 75 HD11 LEU 75 -12.088 -10.409 -9.432 666 HD12 LEU 75 HD12 LEU 75 -12.224 -8.654 -9.314 667 HD13 LEU 75 HD13 LEU 75 -12.313 -9.646 -7.858 668 HD21 LEU 75 HD21 LEU 75 -9.897 -10.280 -10.578 669 HD22 LEU 75 HD22 LEU 75 -8.583 -9.337 -9.875 670 HD23 LEU 75 HD23 LEU 75 -9.987 -8.518 -10.561 671 H ARG 76 H ARG 76 -8.407 -7.960 -4.933 672 HA ARG 76 HA ARG 76 -8.105 -10.854 -4.475 673 HB2 ARG 76 HB2 ARG 76 -6.057 -8.648 -4.113 674 HB3 ARG 76 HB3 ARG 76 -5.760 -10.382 -4.049 675 HG2 ARG 76 HG2 ARG 76 -6.805 -9.000 -6.506 676 HG3 ARG 76 HG3 ARG 76 -5.083 -9.213 -6.178 677 HD2 ARG 76 HD2 ARG 76 -6.986 -11.535 -6.159 678 HD3 ARG 76 HD3 ARG 76 -6.260 -10.956 -7.658 679 HE ARG 76 HE ARG 76 -4.091 -11.466 -6.700 680 HH11 ARG 76 HH11 ARG 76 -6.891 -12.907 -5.161 681 HH12 ARG 76 HH12 ARG 76 -5.962 -14.156 -4.370 682 HH21 ARG 76 HH21 ARG 76 -2.889 -13.130 -5.697 683 HH22 ARG 76 HH22 ARG 76 -3.697 -14.289 -4.688 684 H GLN 77 H GLN 77 -10.054 -9.728 -3.025 685 HA GLN 77 HA GLN 77 -9.150 -8.378 -0.669 686 HB2 GLN 77 HB2 GLN 77 -11.451 -8.181 -0.069 687 HB3 GLN 77 HB3 GLN 77 -11.321 -7.903 -1.796 688 HG2 GLN 77 HG2 GLN 77 -12.233 -10.465 -0.503 689 HG3 GLN 77 HG3 GLN 77 -13.285 -9.236 -1.197 690 HE21 GLN 77 HE21 GLN 77 -13.336 -8.981 -3.445 691 HE22 GLN 77 HE22 GLN 77 -12.793 -10.230 -4.510 692 H HIS 78 H HIS 78 -9.970 -11.709 -1.411 693 HA HIS 78 HA HIS 78 -10.170 -12.415 1.398 694 HB2 HIS 78 HB2 HIS 78 -10.454 -13.939 -1.167 695 HB3 HIS 78 HB3 HIS 78 -10.198 -14.814 0.339 696 HD1 HIS 78 HD1 HIS 78 -12.147 -14.923 1.994 697 HD2 HIS 78 HD2 HIS 78 -12.946 -12.613 -1.369 698 HE1 HIS 78 HE1 HIS 78 -14.613 -14.456 2.065 699 HE2 HIS 78 HE2 HIS 78 -15.103 -13.209 -0.067 700 H GLU 79 H GLU 79 -7.678 -11.336 0.161 701 HA GLU 79 HA GLU 79 -5.895 -13.210 1.487 702 HB2 GLU 79 HB2 GLU 79 -5.619 -12.320 -1.375 703 HB3 GLU 79 HB3 GLU 79 -4.201 -12.748 -0.429 704 HG2 GLU 79 HG2 GLU 79 -5.035 -14.976 -0.088 705 HG3 GLU 79 HG3 GLU 79 -6.559 -14.565 -0.869 706 H LEU 80 H LEU 80 -7.069 -10.616 2.124 707 HA LEU 80 HA LEU 80 -4.580 -9.259 2.773 708 HB2 LEU 80 HB2 LEU 80 -5.505 -7.031 2.145 709 HB3 LEU 80 HB3 LEU 80 -5.137 -8.071 0.789 710 HG LEU 80 HG LEU 80 -7.650 -8.630 0.769 711 HD11 LEU 80 HD11 LEU 80 -9.130 -6.944 1.672 712 HD12 LEU 80 HD12 LEU 80 -7.762 -6.063 2.348 713 HD13 LEU 80 HD13 LEU 80 -8.175 -7.660 2.972 714 HD21 LEU 80 HD21 LEU 80 -6.639 -5.883 0.057 715 HD22 LEU 80 HD22 LEU 80 -8.141 -6.594 -0.534 716 HD23 LEU 80 HD23 LEU 80 -6.593 -7.325 -0.957 717 HA PRO 81 HA PRO 81 -6.827 -8.490 6.542 718 HB2 PRO 81 HB2 PRO 81 -5.030 -6.480 7.424 719 HB3 PRO 81 HB3 PRO 81 -4.958 -8.204 7.784 720 HG2 PRO 81 HG2 PRO 81 -3.109 -6.784 6.254 721 HG3 PRO 81 HG3 PRO 81 -3.288 -8.545 6.298 722 HD2 PRO 81 HD2 PRO 81 -4.296 -6.584 4.287 723 HD3 PRO 81 HD3 PRO 81 -3.704 -8.244 4.052 724 H ALA 82 H ALA 82 -7.900 -6.771 7.787 725 HA ALA 82 HA ALA 82 -8.987 -4.764 5.985 726 HB1 ALA 82 HB1 ALA 82 -10.529 -6.066 7.352 727 HB2 ALA 82 HB2 ALA 82 -10.624 -4.349 7.750 728 HB3 ALA 82 HB3 ALA 82 -9.757 -5.455 8.817 729 H MET 83 H MET 83 -7.289 -3.314 5.763 730 HA MET 83 HA MET 83 -7.015 -1.419 7.940 731 HB2 MET 83 HB2 MET 83 -4.560 -1.441 7.898 732 HB3 MET 83 HB3 MET 83 -5.198 -2.999 8.405 733 HG2 MET 83 HG2 MET 83 -4.837 -3.858 6.124 734 HG3 MET 83 HG3 MET 83 -4.134 -2.307 5.674 735 HE1 MET 83 HE1 MET 83 -2.662 -5.118 5.266 736 HE2 MET 83 HE2 MET 83 -1.030 -4.710 5.787 737 HE3 MET 83 HE3 MET 83 -1.949 -3.570 4.803 738 H ASP 84 H ASP 84 -5.863 0.553 7.225 739 HA ASP 84 HA ASP 84 -6.648 1.312 4.589 740 HB2 ASP 84 HB2 ASP 84 -5.030 2.729 6.711 741 HB3 ASP 84 HB3 ASP 84 -5.424 3.455 5.157 742 H PHE 85 H PHE 85 -5.567 0.880 2.801 743 HA PHE 85 HA PHE 85 -2.746 0.166 2.959 744 HB2 PHE 85 HB2 PHE 85 -4.647 0.094 0.605 745 HB3 PHE 85 HB3 PHE 85 -3.005 -0.538 0.616 746 HD1 PHE 85 HD2 PHE 85 -2.469 -2.443 2.212 747 HD2 PHE 85 HD1 PHE 85 -6.444 -1.224 1.296 748 HE1 PHE 85 HE2 PHE 85 -3.315 -4.622 2.982 749 HE2 PHE 85 HE1 PHE 85 -7.292 -3.400 2.066 750 HZ PHE 85 HZ PHE 85 -5.727 -5.103 2.907 751 H VAL 86 H VAL 86 -1.682 2.123 3.258 752 HA VAL 86 HA VAL 86 -2.163 4.268 1.371 753 HB VAL 86 HB VAL 86 -1.686 4.992 3.604 754 HG11 VAL 86 HG11 VAL 86 0.424 4.543 4.744 755 HG12 VAL 86 HG12 VAL 86 0.922 3.498 3.412 756 HG13 VAL 86 HG13 VAL 86 -0.462 3.053 4.412 757 HG21 VAL 86 HG21 VAL 86 0.669 5.512 1.798 758 HG22 VAL 86 HG22 VAL 86 0.271 6.446 3.240 759 HG23 VAL 86 HG23 VAL 86 -0.835 6.432 1.865 760 H VAL 87 H VAL 87 -1.342 4.220 -0.558 761 HA VAL 87 HA VAL 87 1.013 2.556 -1.092 762 HB VAL 87 HB VAL 87 -0.944 3.728 -3.078 763 HG11 VAL 87 HG11 VAL 87 0.042 2.149 -4.654 764 HG12 VAL 87 HG12 VAL 87 1.163 1.593 -3.411 765 HG13 VAL 87 HG13 VAL 87 1.265 3.247 -4.014 766 HG21 VAL 87 HG21 VAL 87 -2.077 2.146 -1.618 767 HG22 VAL 87 HG22 VAL 87 -0.830 0.940 -1.934 768 HG23 VAL 87 HG23 VAL 87 -1.889 1.473 -3.238 769 H VAL 88 H VAL 88 2.873 3.616 -1.160 770 HA VAL 88 HA VAL 88 2.907 6.448 -1.873 771 HB VAL 88 HB VAL 88 5.203 4.705 -0.952 772 HG11 VAL 88 HG11 VAL 88 4.929 7.702 -1.140 773 HG12 VAL 88 HG12 VAL 88 5.925 6.682 -2.176 774 HG13 VAL 88 HG13 VAL 88 6.308 6.839 -0.463 775 HG21 VAL 88 HG21 VAL 88 3.462 6.587 0.639 776 HG22 VAL 88 HG22 VAL 88 4.900 5.758 1.240 777 HG23 VAL 88 HG23 VAL 88 3.477 4.828 0.765 778 H ALA 89 H ALA 89 2.929 6.820 -3.984 779 HA ALA 89 HA ALA 89 4.273 4.998 -5.806 780 HB1 ALA 89 HB1 ALA 89 2.090 5.880 -6.436 781 HB2 ALA 89 HB2 ALA 89 3.330 6.421 -7.568 782 HB3 ALA 89 HB3 ALA 89 2.715 7.525 -6.340 783 H LYS 90 H LYS 90 6.366 5.205 -6.130 784 HA LYS 90 HA LYS 90 7.716 7.702 -5.563 785 HB2 LYS 90 HB2 LYS 90 8.841 5.078 -6.567 786 HB3 LYS 90 HB3 LYS 90 9.768 6.431 -5.941 787 HG2 LYS 90 HG2 LYS 90 7.706 5.180 -4.196 788 HG3 LYS 90 HG3 LYS 90 9.232 4.338 -4.457 789 HD2 LYS 90 HD2 LYS 90 9.435 5.649 -2.464 790 HD3 LYS 90 HD3 LYS 90 10.420 6.404 -3.715 791 HE2 LYS 90 HE2 LYS 90 8.705 8.071 -4.098 792 HE3 LYS 90 HE3 LYS 90 7.641 7.283 -2.933 793 HZ1 LYS 90 HZ1 LYS 90 8.789 9.212 -1.996 794 HZ2 LYS 90 HZ2 LYS 90 10.288 8.474 -2.292 795 HZ3 LYS 90 HZ3 LYS 90 9.201 7.780 -1.187 796 H LYS 91 H LYS 91 9.500 8.320 -7.190 797 HA LYS 91 HA LYS 91 8.280 8.974 -9.665 798 HB2 LYS 91 HB2 LYS 91 10.577 9.818 -10.276 799 HB3 LYS 91 HB3 LYS 91 9.891 10.501 -8.808 800 HG2 LYS 91 HG2 LYS 91 11.263 9.063 -7.447 801 HG3 LYS 91 HG3 LYS 91 11.889 8.254 -8.884 802 HD2 LYS 91 HD2 LYS 91 12.905 10.347 -9.624 803 HD3 LYS 91 HD3 LYS 91 12.259 11.169 -8.200 804 HE2 LYS 91 HE2 LYS 91 14.616 10.561 -7.915 805 HE3 LYS 91 HE3 LYS 91 13.577 9.745 -6.748 806 HZ1 LYS 91 HZ1 LYS 91 13.688 7.741 -8.061 807 HZ2 LYS 91 HZ2 LYS 91 15.260 8.273 -7.716 808 HZ3 LYS 91 HZ3 LYS 91 14.603 8.519 -9.255 809 H GLY 92 H GLY 92 7.926 7.634 -11.262 810 HA2 GLY 92 HA2 GLY 92 9.438 6.336 -12.932 811 HA3 GLY 92 HA3 GLY 92 9.630 5.267 -11.550 812 H VAL 93 H VAL 93 6.860 5.681 -10.646 813 HA VAL 93 HA VAL 93 5.700 3.489 -11.953 814 HB VAL 93 HB VAL 93 3.616 4.025 -10.772 815 HG11 VAL 93 HG11 VAL 93 5.383 2.830 -9.597 816 HG12 VAL 93 HG12 VAL 93 4.485 3.871 -8.493 817 HG13 VAL 93 HG13 VAL 93 6.079 4.360 -9.069 818 HG21 VAL 93 HG21 VAL 93 5.022 6.516 -9.822 819 HG22 VAL 93 HG22 VAL 93 3.408 5.970 -9.363 820 HG23 VAL 93 HG23 VAL 93 3.730 6.480 -11.018 821 H ALA 94 H ALA 94 5.475 6.909 -12.631 822 HA ALA 94 HA ALA 94 3.321 6.512 -14.547 823 HB1 ALA 94 HB1 ALA 94 3.368 8.932 -14.814 824 HB2 ALA 94 HB2 ALA 94 4.809 9.026 -13.801 825 HB3 ALA 94 HB3 ALA 94 3.276 8.495 -13.107 826 H ASP 95 H ASP 95 6.599 6.138 -14.537 827 HA ASP 95 HA ASP 95 6.970 7.025 -17.306 828 HB2 ASP 95 HB2 ASP 95 8.738 7.721 -15.816 829 HB3 ASP 95 HB3 ASP 95 8.943 6.076 -15.217 830 H LEU 96 H LEU 96 6.739 4.204 -15.308 831 HA LEU 96 HA LEU 96 7.862 2.244 -16.898 832 HB2 LEU 96 HB2 LEU 96 5.413 2.064 -15.145 833 HB3 LEU 96 HB3 LEU 96 6.272 0.683 -15.798 834 HG LEU 96 HG LEU 96 7.435 2.704 -13.878 835 HD11 LEU 96 HD11 LEU 96 6.546 -0.142 -13.426 836 HD12 LEU 96 HD12 LEU 96 5.730 1.305 -12.832 837 HD13 LEU 96 HD13 LEU 96 7.342 0.896 -12.242 838 HD21 LEU 96 HD21 LEU 96 9.304 1.131 -13.719 839 HD22 LEU 96 HD22 LEU 96 9.118 1.746 -15.362 840 HD23 LEU 96 HD23 LEU 96 8.562 0.121 -14.959 841 H ASP 97 H ASP 97 7.269 1.105 -18.634 842 HA ASP 97 HA ASP 97 5.184 2.120 -20.315 843 HB2 ASP 97 HB2 ASP 97 7.342 1.289 -21.209 844 HB3 ASP 97 HB3 ASP 97 6.939 -0.329 -20.646 845 H ASN 98 H ASN 98 3.633 0.526 -21.380 846 HA ASN 98 HA ASN 98 1.842 -0.536 -19.535 847 HB2 ASN 98 HB2 ASN 98 1.266 0.070 -21.867 848 HB3 ASN 98 HB3 ASN 98 2.182 -1.320 -22.443 849 HD21 ASN 98 HD21 ASN 98 1.306 -3.361 -22.263 850 HD22 ASN 98 HD22 ASN 98 -0.339 -3.641 -21.819 851 H ARG 99 H ARG 99 4.437 -2.129 -21.363 852 HA ARG 99 HA ARG 99 3.793 -4.741 -20.346 853 HB2 ARG 99 HB2 ARG 99 5.924 -5.446 -21.359 854 HB3 ARG 99 HB3 ARG 99 4.923 -4.543 -22.485 855 HG2 ARG 99 HG2 ARG 99 6.292 -2.546 -22.076 856 HG3 ARG 99 HG3 ARG 99 7.315 -3.488 -20.988 857 HD2 ARG 99 HD2 ARG 99 8.012 -4.917 -22.779 858 HD3 ARG 99 HD3 ARG 99 6.844 -4.187 -23.880 859 HE ARG 99 HE ARG 99 8.716 -2.297 -22.798 860 HH11 ARG 99 HH11 ARG 99 8.281 -4.737 -25.280 861 HH12 ARG 99 HH12 ARG 99 9.363 -3.963 -26.398 862 HH21 ARG 99 HH21 ARG 99 10.125 -1.274 -24.279 863 HH22 ARG 99 HH22 ARG 99 10.392 -1.996 -25.848 864 H ALA 100 H ALA 100 5.790 -2.096 -19.332 865 HA ALA 100 HA ALA 100 7.460 -3.555 -17.552 866 HB1 ALA 100 HB1 ALA 100 6.801 -0.611 -17.563 867 HB2 ALA 100 HB2 ALA 100 8.112 -1.379 -18.461 868 HB3 ALA 100 HB3 ALA 100 8.133 -1.376 -16.695 869 H LEU 101 H LEU 101 4.428 -1.753 -17.175 870 HA LEU 101 HA LEU 101 4.347 -2.109 -14.342 871 HB2 LEU 101 HB2 LEU 101 2.056 -1.266 -14.472 872 HB3 LEU 101 HB3 LEU 101 3.174 -0.248 -15.352 873 HG LEU 101 HG LEU 101 2.339 -1.648 -17.424 874 HD11 LEU 101 HD11 LEU 101 0.001 -1.869 -15.531 875 HD12 LEU 101 HD12 LEU 101 0.966 -3.212 -16.146 876 HD13 LEU 101 HD13 LEU 101 -0.017 -2.253 -17.252 877 HD21 LEU 101 HD21 LEU 101 0.705 0.518 -16.112 878 HD22 LEU 101 HD22 LEU 101 0.623 0.048 -17.811 879 HD23 LEU 101 HD23 LEU 101 2.104 0.756 -17.163 880 H SER 102 H SER 102 3.369 -4.002 -17.077 881 HA SER 102 HA SER 102 1.611 -5.752 -15.700 882 HB2 SER 102 HB2 SER 102 1.751 -5.509 -18.201 883 HB3 SER 102 HB3 SER 102 3.281 -6.382 -18.147 884 HG SER 102 HG SER 102 1.494 -7.758 -18.600 885 H GLU 103 H GLU 103 5.078 -5.719 -16.310 886 HA GLU 103 HA GLU 103 5.546 -8.214 -14.952 887 HB2 GLU 103 HB2 GLU 103 7.380 -6.069 -16.006 888 HB3 GLU 103 HB3 GLU 103 7.974 -7.475 -15.136 889 HG2 GLU 103 HG2 GLU 103 6.411 -7.523 -17.706 890 HG3 GLU 103 HG3 GLU 103 8.148 -7.776 -17.537 891 H ALA 104 H ALA 104 4.505 -5.439 -13.778 892 HA ALA 104 HA ALA 104 6.093 -5.652 -11.308 893 HB1 ALA 104 HB1 ALA 104 6.290 -3.455 -12.337 894 HB2 ALA 104 HB2 ALA 104 5.405 -3.350 -10.815 895 HB3 ALA 104 HB3 ALA 104 4.534 -3.288 -12.347 896 H LEU 105 H LEU 105 2.896 -5.487 -12.717 897 HA LEU 105 HA LEU 105 1.302 -5.237 -10.473 898 HB2 LEU 105 HB2 LEU 105 0.542 -5.140 -12.827 899 HB3 LEU 105 HB3 LEU 105 0.747 -6.871 -12.955 900 HG LEU 105 HG LEU 105 -1.624 -5.941 -12.640 901 HD11 LEU 105 HD11 LEU 105 -2.315 -7.842 -11.285 902 HD12 LEU 105 HD12 LEU 105 -0.644 -8.100 -10.784 903 HD13 LEU 105 HD13 LEU 105 -1.101 -8.310 -12.475 904 HD21 LEU 105 HD21 LEU 105 -1.137 -4.386 -10.835 905 HD22 LEU 105 HD22 LEU 105 -0.647 -5.723 -9.796 906 HD23 LEU 105 HD23 LEU 105 -2.324 -5.589 -10.323 907 H GLU 106 H GLU 106 2.656 -8.218 -11.869 908 HA GLU 106 HA GLU 106 1.236 -9.892 -10.056 909 HB2 GLU 106 HB2 GLU 106 2.475 -11.730 -10.989 910 HB3 GLU 106 HB3 GLU 106 1.974 -10.660 -12.288 911 HG2 GLU 106 HG2 GLU 106 4.067 -10.715 -13.000 912 HG3 GLU 106 HG3 GLU 106 4.502 -9.753 -11.587 913 H LYS 107 H LYS 107 4.047 -8.002 -9.740 914 HA LYS 107 HA LYS 107 5.387 -9.660 -7.823 915 HB2 LYS 107 HB2 LYS 107 5.797 -6.691 -7.892 916 HB3 LYS 107 HB3 LYS 107 6.961 -7.962 -7.566 917 HG2 LYS 107 HG2 LYS 107 5.898 -7.041 -10.216 918 HG3 LYS 107 HG3 LYS 107 7.559 -7.027 -9.632 919 HD2 LYS 107 HD2 LYS 107 5.952 -9.508 -10.217 920 HD3 LYS 107 HD3 LYS 107 7.124 -8.782 -11.315 921 HE2 LYS 107 HE2 LYS 107 8.900 -9.179 -9.706 922 HE3 LYS 107 HE3 LYS 107 7.733 -9.844 -8.559 923 HZ1 LYS 107 HZ1 LYS 107 8.408 -10.965 -11.225 924 HZ2 LYS 107 HZ2 LYS 107 7.207 -11.570 -10.195 925 HZ3 LYS 107 HZ3 LYS 107 8.835 -11.625 -9.720 926 H LEU 108 H LEU 108 3.031 -7.057 -7.736 927 HA LEU 108 HA LEU 108 3.068 -6.584 -4.957 928 HB2 LEU 108 HB2 LEU 108 0.826 -6.271 -6.957 929 HB3 LEU 108 HB3 LEU 108 0.697 -5.780 -5.282 930 HG LEU 108 HG LEU 108 1.182 -3.783 -6.275 931 HD11 LEU 108 HD11 LEU 108 3.916 -4.918 -5.745 932 HD12 LEU 108 HD12 LEU 108 2.845 -4.156 -4.569 933 HD13 LEU 108 HD13 LEU 108 3.522 -3.205 -5.890 934 HD21 LEU 108 HD21 LEU 108 3.029 -5.200 -8.184 935 HD22 LEU 108 HD22 LEU 108 2.707 -3.466 -8.162 936 HD23 LEU 108 HD23 LEU 108 1.409 -4.598 -8.536 937 H TRP 109 H TRP 109 1.337 -8.893 -6.952 938 HA TRP 109 HA TRP 109 -0.421 -9.778 -4.917 939 HB2 TRP 109 HB2 TRP 109 0.361 -10.934 -7.582 940 HB3 TRP 109 HB3 TRP 109 -0.751 -11.765 -6.497 941 HD1 TRP 109 HD1 TRP 109 -1.583 -8.354 -5.878 942 HE1 TRP 109 HE1 TRP 109 -3.535 -7.531 -7.330 943 HE3 TRP 109 HE3 TRP 109 -1.585 -12.064 -9.396 944 HZ2 TRP 109 HZ2 TRP 109 -4.896 -8.344 -9.659 945 HZ3 TRP 109 HZ3 TRP 109 -3.251 -11.963 -11.204 946 HH2 TRP 109 HH2 TRP 109 -4.872 -10.142 -11.333 947 H ARG 110 H ARG 110 2.761 -10.884 -5.964 948 HA ARG 110 HA ARG 110 2.722 -13.292 -4.478 949 HB2 ARG 110 HB2 ARG 110 5.111 -11.618 -5.276 950 HB3 ARG 110 HB3 ARG 110 5.167 -13.286 -4.718 951 HG2 ARG 110 HG2 ARG 110 3.681 -13.852 -6.685 952 HG3 ARG 110 HG3 ARG 110 4.013 -12.226 -7.279 953 HD2 ARG 110 HD2 ARG 110 6.461 -12.782 -7.111 954 HD3 ARG 110 HD3 ARG 110 5.982 -14.450 -6.795 955 HE ARG 110 HE ARG 110 5.425 -12.970 -9.294 956 HH11 ARG 110 HH11 ARG 110 5.871 -15.998 -7.569 957 HH12 ARG 110 HH12 ARG 110 5.943 -16.948 -9.016 958 HH21 ARG 110 HH21 ARG 110 5.497 -14.222 -11.181 959 HH22 ARG 110 HH22 ARG 110 5.717 -15.948 -11.066 960 H ARG 111 H ARG 111 3.848 -10.019 -3.701 961 HA ARG 111 HA ARG 111 4.626 -10.648 -1.034 962 HB2 ARG 111 HB2 ARG 111 5.409 -8.622 -2.227 963 HB3 ARG 111 HB3 ARG 111 3.771 -7.985 -2.194 964 HG2 ARG 111 HG2 ARG 111 4.919 -6.914 -0.446 965 HG3 ARG 111 HG3 ARG 111 3.896 -8.128 0.322 966 HD2 ARG 111 HD2 ARG 111 5.981 -8.294 1.398 967 HD3 ARG 111 HD3 ARG 111 5.923 -9.653 0.276 968 HE ARG 111 HE ARG 111 7.147 -7.526 -1.040 969 HH11 ARG 111 HH11 ARG 111 7.768 -9.703 1.630 970 HH12 ARG 111 HH12 ARG 111 9.491 -9.512 1.548 971 HH21 ARG 111 HH21 ARG 111 9.420 -7.279 -1.160 972 HH22 ARG 111 HH22 ARG 111 10.440 -8.140 -0.046 973 H HIS 112 H HIS 112 1.685 -9.499 -2.550 974 HA HIS 112 HA HIS 112 0.110 -8.858 -0.363 975 HB2 HIS 112 HB2 HIS 112 -0.433 -8.493 -2.775 976 HB3 HIS 112 HB3 HIS 112 -0.774 -10.206 -2.922 977 HD1 HIS 112 HD1 HIS 112 -2.229 -6.996 -1.810 978 HD2 HIS 112 HD2 HIS 112 -3.217 -11.034 -1.712 979 HE1 HIS 112 HE1 HIS 112 -4.691 -7.074 -1.307 980 HE2 HIS 112 HE2 HIS 112 -5.287 -9.520 -1.316 981 H CYS 113 H CYS 113 0.585 -12.008 -1.922 982 HA CYS 113 HA CYS 113 -1.338 -13.349 -0.302 983 HB2 CYS 113 HB2 CYS 113 -0.503 -13.972 -2.650 984 HB3 CYS 113 HB3 CYS 113 0.886 -14.681 -1.835 985 HG CYS 113 HG CYS 113 -2.373 -15.666 -1.689 986 H ARG 114 H ARG 114 2.035 -12.621 0.053 987 HA ARG 114 HA ARG 114 2.432 -14.625 2.119 988 HB2 ARG 114 HB2 ARG 114 4.201 -12.643 0.740 989 HB3 ARG 114 HB3 ARG 114 4.711 -13.338 2.270 990 HG2 ARG 114 HG2 ARG 114 4.018 -14.887 -0.220 991 HG3 ARG 114 HG3 ARG 114 5.648 -14.533 0.359 992 HD2 ARG 114 HD2 ARG 114 4.828 -15.674 2.549 993 HD3 ARG 114 HD3 ARG 114 3.581 -16.364 1.511 994 HE ARG 114 HE ARG 114 6.126 -16.748 0.350 995 HH11 ARG 114 HH11 ARG 114 4.056 -17.948 2.901 996 HH12 ARG 114 HH12 ARG 114 4.888 -19.469 3.040 997 HH21 ARG 114 HH21 ARG 114 7.228 -18.744 0.523 998 HH22 ARG 114 HH22 ARG 114 6.697 -19.917 1.700 999 H LEU 115 H LEU 115 2.037 -11.142 1.848 1000 HA LEU 115 HA LEU 115 2.884 -10.491 4.462 1001 HB2 LEU 115 HB2 LEU 115 2.767 -8.873 2.614 1002 HB3 LEU 115 HB3 LEU 115 1.019 -8.986 2.625 1003 HG LEU 115 HG LEU 115 1.044 -8.094 4.966 1004 HD11 LEU 115 HD11 LEU 115 3.062 -6.981 5.759 1005 HD12 LEU 115 HD12 LEU 115 3.948 -7.570 4.353 1006 HD13 LEU 115 HD13 LEU 115 3.333 -8.711 5.548 1007 HD21 LEU 115 HD21 LEU 115 0.561 -6.649 3.068 1008 HD22 LEU 115 HD22 LEU 115 2.285 -6.354 2.839 1009 HD23 LEU 115 HD23 LEU 115 1.478 -5.780 4.297 1010 H ALA 116 H ALA 116 -0.316 -11.164 3.108 1011 HA ALA 116 HA ALA 116 -1.624 -10.442 5.581 1012 HB1 ALA 116 HB1 ALA 116 -3.689 -11.010 4.416 1013 HB2 ALA 116 HB2 ALA 116 -2.753 -11.636 3.059 1014 HB3 ALA 116 HB3 ALA 116 -2.683 -9.920 3.464 1015 H ARG 117 H ARG 117 -0.091 -13.220 4.497 1016 HA ARG 117 HA ARG 117 -1.761 -14.890 6.261 1017 HB2 ARG 117 HB2 ARG 117 -0.155 -15.738 3.845 1018 HB3 ARG 117 HB3 ARG 117 -0.983 -16.840 4.935 1019 HG2 ARG 117 HG2 ARG 117 -3.118 -15.645 4.353 1020 HG3 ARG 117 HG3 ARG 117 -2.209 -14.804 3.095 1021 HD2 ARG 117 HD2 ARG 117 -2.563 -17.789 3.351 1022 HD3 ARG 117 HD3 ARG 117 -3.369 -16.745 2.182 1023 HE ARG 117 HE ARG 117 -0.860 -16.249 1.554 1024 HH11 ARG 117 HH11 ARG 117 -2.352 -19.321 2.326 1025 HH12 ARG 117 HH12 ARG 117 -1.270 -20.256 1.341 1026 HH21 ARG 117 HH21 ARG 117 0.558 -17.466 0.239 1027 HH22 ARG 117 HH22 ARG 117 0.397 -19.194 0.145 1028 H GLY 118 H GLY 118 0.834 -13.185 6.517 1029 HA2 GLY 118 HA2 GLY 118 2.285 -15.246 8.041 1030 HA3 GLY 118 HA3 GLY 118 3.155 -14.150 6.975 1031 H SER 119 H SER 119 3.860 -14.268 9.584 1032 HA SER 119 HA SER 119 2.531 -12.131 11.015 1033 HB2 SER 119 HB2 SER 119 4.417 -12.651 12.707 1034 HB3 SER 119 HB3 SER 119 3.177 -13.877 12.442 1035 HG SER 119 HG SER 119 5.711 -13.819 11.141 Start of MODEL 3 1 H1 MET 1 H1 MET 1 3.242 -7.746 25.164 2 H2 MET 1 H2 MET 1 2.945 -7.520 26.818 3 H3 MET 1 H3 MET 1 3.448 -6.211 25.861 4 HA MET 1 HA MET 1 0.880 -7.670 25.633 5 HB2 MET 1 HB2 MET 1 1.034 -6.162 27.589 6 HB3 MET 1 HB3 MET 1 1.476 -4.837 26.524 7 HG2 MET 1 HG2 MET 1 -0.704 -5.025 25.412 8 HG3 MET 1 HG3 MET 1 -1.146 -6.317 26.526 9 HE1 MET 1 HE1 MET 1 -0.341 -1.963 27.840 10 HE2 MET 1 HE2 MET 1 -0.231 -2.517 26.171 11 HE3 MET 1 HE3 MET 1 0.939 -3.081 27.365 12 H VAL 2 H VAL 2 1.148 -8.045 23.419 13 HA VAL 2 HA VAL 2 0.944 -5.628 21.754 14 HB VAL 2 HB VAL 2 2.640 -8.033 21.038 15 HG11 VAL 2 HG11 VAL 2 1.604 -6.985 19.099 16 HG12 VAL 2 HG12 VAL 2 3.342 -6.691 19.117 17 HG13 VAL 2 HG13 VAL 2 2.229 -5.413 19.600 18 HG21 VAL 2 HG21 VAL 2 3.492 -5.251 21.831 19 HG22 VAL 2 HG22 VAL 2 4.562 -6.517 21.229 20 HG23 VAL 2 HG23 VAL 2 3.731 -6.724 22.770 21 H LYS 3 H LYS 3 -1.132 -5.811 21.101 22 HA LYS 3 HA LYS 3 -1.715 -8.067 19.377 23 HB2 LYS 3 HB2 LYS 3 -3.936 -8.465 20.280 24 HB3 LYS 3 HB3 LYS 3 -2.717 -8.751 21.506 25 HG2 LYS 3 HG2 LYS 3 -4.236 -6.170 21.341 26 HG3 LYS 3 HG3 LYS 3 -4.851 -7.573 22.211 27 HD2 LYS 3 HD2 LYS 3 -2.522 -7.521 23.384 28 HD3 LYS 3 HD3 LYS 3 -2.481 -5.852 22.815 29 HE2 LYS 3 HE2 LYS 3 -4.556 -7.120 24.599 30 HE3 LYS 3 HE3 LYS 3 -3.369 -5.900 25.054 31 HZ1 LYS 3 HZ1 LYS 3 -4.462 -4.359 23.522 32 HZ2 LYS 3 HZ2 LYS 3 -5.513 -4.897 24.734 33 HZ3 LYS 3 HZ3 LYS 3 -5.633 -5.532 23.165 34 H LEU 4 H LEU 4 -4.322 -7.433 18.721 35 HA LEU 4 HA LEU 4 -3.705 -5.463 16.776 36 HB2 LEU 4 HB2 LEU 4 -5.291 -7.575 16.781 37 HB3 LEU 4 HB3 LEU 4 -6.495 -6.386 17.236 38 HG LEU 4 HG LEU 4 -6.031 -5.121 15.179 39 HD11 LEU 4 HD11 LEU 4 -4.609 -6.085 13.451 40 HD12 LEU 4 HD12 LEU 4 -4.162 -7.400 14.540 41 HD13 LEU 4 HD13 LEU 4 -3.682 -5.744 14.913 42 HD21 LEU 4 HD21 LEU 4 -6.992 -6.727 13.614 43 HD22 LEU 4 HD22 LEU 4 -7.775 -6.832 15.191 44 HD23 LEU 4 HD23 LEU 4 -6.592 -8.049 14.711 45 H ALA 5 H ALA 5 -4.656 -5.002 19.916 46 HA ALA 5 HA ALA 5 -5.490 -2.277 19.291 47 HB1 ALA 5 HB1 ALA 5 -7.033 -4.045 21.186 48 HB2 ALA 5 HB2 ALA 5 -7.579 -3.523 19.592 49 HB3 ALA 5 HB3 ALA 5 -7.337 -2.336 20.873 50 H PHE 6 H PHE 6 -5.121 -0.792 21.013 51 HA PHE 6 HA PHE 6 -3.314 -1.824 23.091 52 HB2 PHE 6 HB2 PHE 6 -3.020 0.684 21.428 53 HB3 PHE 6 HB3 PHE 6 -2.062 0.352 22.869 54 HD1 PHE 6 HD2 PHE 6 -0.540 -1.623 22.895 55 HD2 PHE 6 HD1 PHE 6 -2.478 -0.292 19.348 56 HE1 PHE 6 HE2 PHE 6 1.069 -2.899 21.544 57 HE2 PHE 6 HE1 PHE 6 -0.872 -1.570 17.988 58 HZ PHE 6 HZ PHE 6 0.905 -2.874 19.087 59 HA PRO 7 HA PRO 7 -5.809 0.284 26.000 60 HB2 PRO 7 HB2 PRO 7 -4.066 0.944 27.945 61 HB3 PRO 7 HB3 PRO 7 -4.496 -0.736 27.597 62 HG2 PRO 7 HG2 PRO 7 -2.076 0.815 26.766 63 HG3 PRO 7 HG3 PRO 7 -2.183 -0.851 27.367 64 HD2 PRO 7 HD2 PRO 7 -1.956 -0.220 24.723 65 HD3 PRO 7 HD3 PRO 7 -2.768 -1.684 25.308 66 H ARG 8 H ARG 8 -6.628 2.228 26.457 67 HA ARG 8 HA ARG 8 -5.753 4.594 25.260 68 HB2 ARG 8 HB2 ARG 8 -7.412 5.715 26.670 69 HB3 ARG 8 HB3 ARG 8 -8.065 4.210 26.031 70 HG2 ARG 8 HG2 ARG 8 -7.570 3.104 28.162 71 HG3 ARG 8 HG3 ARG 8 -6.965 4.631 28.801 72 HD2 ARG 8 HD2 ARG 8 -9.195 5.626 28.414 73 HD3 ARG 8 HD3 ARG 8 -9.776 4.045 27.888 74 HE ARG 8 HE ARG 8 -8.616 4.343 30.575 75 HH11 ARG 8 HH11 ARG 8 -11.336 3.576 28.501 76 HH12 ARG 8 HH12 ARG 8 -12.351 3.048 29.812 77 HH21 ARG 8 HH21 ARG 8 -9.932 3.633 32.297 78 HH22 ARG 8 HH22 ARG 8 -11.552 3.086 31.980 79 H GLU 9 H GLU 9 -4.794 3.077 28.194 80 HA GLU 9 HA GLU 9 -3.698 5.449 29.411 81 HB2 GLU 9 HB2 GLU 9 -4.685 3.543 30.707 82 HB3 GLU 9 HB3 GLU 9 -3.330 2.551 30.193 83 HG2 GLU 9 HG2 GLU 9 -1.787 3.965 31.379 84 HG3 GLU 9 HG3 GLU 9 -3.089 5.075 31.810 85 H LEU 10 H LEU 10 -2.566 5.724 27.265 86 HA LEU 10 HA LEU 10 0.201 5.435 27.521 87 HB2 LEU 10 HB2 LEU 10 -0.240 3.059 27.020 88 HB3 LEU 10 HB3 LEU 10 -1.085 3.521 25.556 89 HG LEU 10 HG LEU 10 1.042 4.466 24.673 90 HD11 LEU 10 HD11 LEU 10 2.168 4.912 26.781 91 HD12 LEU 10 HD12 LEU 10 3.143 3.837 25.777 92 HD13 LEU 10 HD13 LEU 10 2.225 3.186 27.134 93 HD21 LEU 10 HD21 LEU 10 2.067 2.306 24.173 94 HD22 LEU 10 HD22 LEU 10 0.308 2.219 24.062 95 HD23 LEU 10 HD23 LEU 10 1.137 1.560 25.472 96 H ARG 11 H ARG 11 -2.344 5.298 25.072 97 HA ARG 11 HA ARG 11 -1.942 8.017 24.278 98 HB2 ARG 11 HB2 ARG 11 -0.107 6.852 23.022 99 HB3 ARG 11 HB3 ARG 11 -1.328 5.851 22.245 100 HG2 ARG 11 HG2 ARG 11 -0.781 7.556 20.711 101 HG3 ARG 11 HG3 ARG 11 -2.360 7.979 21.377 102 HD2 ARG 11 HD2 ARG 11 -1.350 10.004 21.587 103 HD3 ARG 11 HD3 ARG 11 -0.829 9.292 23.113 104 HE ARG 11 HE ARG 11 0.806 9.589 20.684 105 HH11 ARG 11 HH11 ARG 11 0.587 8.844 24.110 106 HH12 ARG 11 HH12 ARG 11 2.290 9.026 24.386 107 HH21 ARG 11 HH21 ARG 11 3.043 9.807 21.047 108 HH22 ARG 11 HH22 ARG 11 3.694 9.549 22.640 109 H LEU 12 H LEU 12 -3.728 8.754 23.013 110 HA LEU 12 HA LEU 12 -6.104 7.215 23.143 111 HB2 LEU 12 HB2 LEU 12 -5.488 9.651 21.463 112 HB3 LEU 12 HB3 LEU 12 -7.088 8.989 21.743 113 HG LEU 12 HG LEU 12 -5.283 10.211 23.830 114 HD11 LEU 12 HD11 LEU 12 -6.266 11.855 22.329 115 HD12 LEU 12 HD12 LEU 12 -6.989 11.957 23.935 116 HD13 LEU 12 HD13 LEU 12 -7.867 11.177 22.619 117 HD21 LEU 12 HD21 LEU 12 -7.145 9.924 25.365 118 HD22 LEU 12 HD22 LEU 12 -6.630 8.363 24.727 119 HD23 LEU 12 HD23 LEU 12 -8.087 9.133 24.102 120 H LEU 13 H LEU 13 -6.396 5.424 21.989 121 HA LEU 13 HA LEU 13 -4.879 4.878 19.637 122 HB2 LEU 13 HB2 LEU 13 -5.731 3.235 21.420 123 HB3 LEU 13 HB3 LEU 13 -7.268 3.311 20.588 124 HG LEU 13 HG LEU 13 -5.854 1.326 20.016 125 HD11 LEU 13 HD11 LEU 13 -7.620 2.089 18.507 126 HD12 LEU 13 HD12 LEU 13 -6.254 1.409 17.623 127 HD13 LEU 13 HD13 LEU 13 -6.470 3.157 17.703 128 HD21 LEU 13 HD21 LEU 13 -3.965 1.657 18.486 129 HD22 LEU 13 HD22 LEU 13 -3.675 2.385 20.066 130 HD23 LEU 13 HD23 LEU 13 -4.116 3.403 18.693 131 H THR 14 H THR 14 -5.323 6.099 17.923 132 HA THR 14 HA THR 14 -8.070 6.541 17.087 133 HB THR 14 HB THR 14 -6.981 7.870 15.240 134 HG1 THR 14 HG1 THR 14 -4.883 6.601 15.728 135 HG21 THR 14 HG21 THR 14 -6.259 8.638 18.073 136 HG22 THR 14 HG22 THR 14 -7.801 8.951 17.276 137 HG23 THR 14 HG23 THR 14 -6.333 9.736 16.694 138 HA PRO 15 HA PRO 15 -7.893 3.024 14.346 139 HB2 PRO 15 HB2 PRO 15 -10.274 4.097 13.045 140 HB3 PRO 15 HB3 PRO 15 -10.104 2.652 14.043 141 HG2 PRO 15 HG2 PRO 15 -11.456 4.842 14.879 142 HG3 PRO 15 HG3 PRO 15 -10.575 3.780 15.993 143 HD2 PRO 15 HD2 PRO 15 -9.747 6.424 14.843 144 HD3 PRO 15 HD3 PRO 15 -9.579 5.814 16.504 145 H SER 16 H SER 16 -7.046 6.026 13.526 146 HA SER 16 HA SER 16 -7.166 5.786 10.648 147 HB2 SER 16 HB2 SER 16 -5.557 7.770 12.271 148 HB3 SER 16 HB3 SER 16 -6.088 7.927 10.596 149 HG SER 16 HG SER 16 -7.315 8.945 12.547 150 H GLN 17 H GLN 17 -5.972 4.038 9.995 151 HA GLN 17 HA GLN 17 -3.563 3.211 11.180 152 HB2 GLN 17 HB2 GLN 17 -4.620 2.674 8.407 153 HB3 GLN 17 HB3 GLN 17 -3.206 1.893 9.095 154 HG2 GLN 17 HG2 GLN 17 -4.784 1.151 10.979 155 HG3 GLN 17 HG3 GLN 17 -6.078 1.585 9.861 156 HE21 GLN 17 HE21 GLN 17 -4.386 0.852 7.553 157 HE22 GLN 17 HE22 GLN 17 -4.401 -0.878 7.493 158 H PHE 18 H PHE 18 -4.243 5.502 8.640 159 HA PHE 18 HA PHE 18 -1.780 5.762 7.426 160 HB2 PHE 18 HB2 PHE 18 -3.832 6.928 6.708 161 HB3 PHE 18 HB3 PHE 18 -3.710 7.994 8.104 162 HD1 PHE 18 HD1 PHE 18 -1.895 6.939 5.043 163 HD2 PHE 18 HD2 PHE 18 -2.496 9.969 7.970 164 HE1 PHE 18 HE1 PHE 18 -0.490 8.474 3.733 165 HE2 PHE 18 HE2 PHE 18 -1.090 11.509 6.666 166 HZ PHE 18 HZ PHE 18 -0.085 10.764 4.548 167 H THR 19 H THR 19 -2.836 7.109 10.517 168 HA THR 19 HA THR 19 -0.460 8.670 10.888 169 HB THR 19 HB THR 19 -2.490 7.850 12.976 170 HG1 THR 19 HG1 THR 19 -3.019 10.275 12.287 171 HG21 THR 19 HG21 THR 19 -1.755 9.886 14.118 172 HG22 THR 19 HG22 THR 19 -0.592 10.199 12.828 173 HG23 THR 19 HG23 THR 19 -0.401 8.785 13.866 174 H PHE 20 H PHE 20 -1.492 5.440 11.676 175 HA PHE 20 HA PHE 20 0.586 5.007 13.642 176 HB2 PHE 20 HB2 PHE 20 -1.609 3.924 13.890 177 HB3 PHE 20 HB3 PHE 20 -1.366 3.071 12.372 178 HD1 PHE 20 HD2 PHE 20 0.021 3.465 15.788 179 HD2 PHE 20 HD1 PHE 20 -0.292 1.000 12.332 180 HE1 PHE 20 HE2 PHE 20 1.100 1.621 17.008 181 HE2 PHE 20 HE1 PHE 20 0.785 -0.846 13.546 182 HZ PHE 20 HZ PHE 20 1.483 -0.537 15.888 183 H VAL 21 H VAL 21 -0.124 4.008 10.326 184 HA VAL 21 HA VAL 21 2.148 2.313 10.054 185 HB VAL 21 HB VAL 21 0.031 2.228 8.663 186 HG11 VAL 21 HG11 VAL 21 -0.054 3.609 6.643 187 HG12 VAL 21 HG12 VAL 21 1.346 4.517 7.216 188 HG13 VAL 21 HG13 VAL 21 -0.170 4.576 8.115 189 HG21 VAL 21 HG21 VAL 21 2.618 2.304 7.123 190 HG22 VAL 21 HG22 VAL 21 1.149 1.438 6.670 191 HG23 VAL 21 HG23 VAL 21 2.051 0.954 8.105 192 H PHE 22 H PHE 22 1.658 5.684 9.912 193 HA PHE 22 HA PHE 22 3.882 6.423 8.314 194 HB2 PHE 22 HB2 PHE 22 2.007 7.944 8.753 195 HB3 PHE 22 HB3 PHE 22 2.398 7.952 10.467 196 HD1 PHE 22 HD1 PHE 22 3.799 8.826 7.138 197 HD2 PHE 22 HD2 PHE 22 3.814 9.559 11.331 198 HE1 PHE 22 HE1 PHE 22 5.256 10.776 6.790 199 HE2 PHE 22 HE2 PHE 22 5.278 11.506 10.990 200 HZ PHE 22 HZ PHE 22 6.000 12.117 8.716 201 H GLN 23 H GLN 23 3.513 5.361 11.569 202 HA GLN 23 HA GLN 23 6.000 6.488 12.512 203 HB2 GLN 23 HB2 GLN 23 4.365 4.336 13.860 204 HB3 GLN 23 HB3 GLN 23 5.503 5.448 14.605 205 HG2 GLN 23 HG2 GLN 23 2.833 6.147 13.408 206 HG3 GLN 23 HG3 GLN 23 3.236 6.089 15.123 207 HE21 GLN 23 HE21 GLN 23 2.239 8.276 13.413 208 HE22 GLN 23 HE22 GLN 23 3.370 9.571 13.622 209 H GLN 24 H GLN 24 4.805 3.143 12.276 210 HA GLN 24 HA GLN 24 7.373 2.321 11.154 211 HB2 GLN 24 HB2 GLN 24 6.200 1.361 13.723 212 HB3 GLN 24 HB3 GLN 24 7.031 0.197 12.704 213 HG2 GLN 24 HG2 GLN 24 8.202 2.754 13.765 214 HG3 GLN 24 HG3 GLN 24 8.508 1.133 14.390 215 HE21 GLN 24 HE21 GLN 24 9.726 -0.322 13.146 216 HE22 GLN 24 HE22 GLN 24 10.762 0.233 11.865 217 HA PRO 25 HA PRO 25 4.166 0.178 8.828 218 HB2 PRO 25 HB2 PRO 25 5.125 0.725 6.415 219 HB3 PRO 25 HB3 PRO 25 4.388 1.995 7.396 220 HG2 PRO 25 HG2 PRO 25 7.255 1.489 6.802 221 HG3 PRO 25 HG3 PRO 25 6.417 3.024 7.085 222 HD2 PRO 25 HD2 PRO 25 7.925 1.506 8.963 223 HD3 PRO 25 HD3 PRO 25 6.963 2.961 9.283 224 H GLN 26 H GLN 26 4.104 -1.806 7.745 225 HA GLN 26 HA GLN 26 6.549 -3.342 7.544 226 HB2 GLN 26 HB2 GLN 26 3.744 -3.995 6.595 227 HB3 GLN 26 HB3 GLN 26 5.099 -5.115 6.613 228 HG2 GLN 26 HG2 GLN 26 3.830 -3.845 9.030 229 HG3 GLN 26 HG3 GLN 26 3.571 -5.497 8.472 230 HE21 GLN 26 HE21 GLN 26 5.225 -7.010 8.701 231 HE22 GLN 26 HE22 GLN 26 6.548 -6.764 9.789 232 H ARG 27 H ARG 27 7.873 -2.559 6.004 233 HA ARG 27 HA ARG 27 6.849 -1.158 3.729 234 HB2 ARG 27 HB2 ARG 27 9.055 -0.777 5.045 235 HB3 ARG 27 HB3 ARG 27 9.702 -2.051 4.024 236 HG2 ARG 27 HG2 ARG 27 8.410 0.434 2.925 237 HG3 ARG 27 HG3 ARG 27 10.134 0.308 3.266 238 HD2 ARG 27 HD2 ARG 27 8.592 -1.470 1.377 239 HD3 ARG 27 HD3 ARG 27 9.601 -0.108 0.896 240 HE ARG 27 HE ARG 27 11.011 -2.027 2.492 241 HH11 ARG 27 HH11 ARG 27 9.957 -1.266 -0.760 242 HH12 ARG 27 HH12 ARG 27 11.196 -2.217 -1.516 243 HH21 ARG 27 HH21 ARG 27 12.626 -3.302 1.481 244 HH22 ARG 27 HH22 ARG 27 12.720 -3.334 -0.259 245 H ALA 28 H ALA 28 5.998 -2.140 2.060 246 HA ALA 28 HA ALA 28 7.381 -4.488 0.944 247 HB1 ALA 28 HB1 ALA 28 4.393 -4.068 1.037 248 HB2 ALA 28 HB2 ALA 28 5.302 -5.200 2.040 249 HB3 ALA 28 HB3 ALA 28 5.231 -5.428 0.291 250 H GLY 29 H GLY 29 6.261 -4.802 -1.419 251 HA2 GLY 29 HA2 GLY 29 5.463 -3.712 -3.381 252 HA3 GLY 29 HA3 GLY 29 5.940 -2.173 -2.680 253 H THR 30 H THR 30 7.192 -1.473 -4.364 254 HA THR 30 HA THR 30 9.725 -2.904 -4.751 255 HB THR 30 HB THR 30 9.623 -2.375 -7.201 256 HG1 THR 30 HG1 THR 30 6.858 -1.912 -6.668 257 HG21 THR 30 HG21 THR 30 9.134 -4.637 -6.388 258 HG22 THR 30 HG22 THR 30 8.173 -4.240 -7.812 259 HG23 THR 30 HG23 THR 30 7.430 -4.206 -6.211 260 HA PRO 31 HA PRO 31 11.629 1.158 -4.749 261 HB2 PRO 31 HB2 PRO 31 12.838 0.636 -7.405 262 HB3 PRO 31 HB3 PRO 31 13.617 1.028 -5.869 263 HG2 PRO 31 HG2 PRO 31 13.732 -1.441 -6.867 264 HG3 PRO 31 HG3 PRO 31 13.552 -1.164 -5.124 265 HD2 PRO 31 HD2 PRO 31 11.480 -1.948 -7.142 266 HD3 PRO 31 HD3 PRO 31 11.716 -2.537 -5.482 267 H GLN 32 H GLN 32 9.699 0.164 -7.442 268 HA GLN 32 HA GLN 32 9.521 2.823 -8.587 269 HB2 GLN 32 HB2 GLN 32 8.002 0.282 -9.217 270 HB3 GLN 32 HB3 GLN 32 7.781 1.801 -10.067 271 HG2 GLN 32 HG2 GLN 32 9.190 0.585 -11.446 272 HG3 GLN 32 HG3 GLN 32 10.269 1.683 -10.593 273 HE21 GLN 32 HE21 GLN 32 8.870 -1.251 -9.223 274 HE22 GLN 32 HE22 GLN 32 10.365 -2.108 -9.093 275 H ILE 33 H ILE 33 7.579 0.661 -6.616 276 HA ILE 33 HA ILE 33 5.910 2.894 -5.798 277 HB ILE 33 HB ILE 33 4.651 2.023 -7.651 278 HG12 ILE 33 HG12 ILE 33 3.435 1.012 -5.074 279 HG13 ILE 33 HG13 ILE 33 3.384 2.681 -5.635 280 HG21 ILE 33 HG21 ILE 33 3.888 -0.313 -7.751 281 HG22 ILE 33 HG22 ILE 33 4.890 -0.681 -6.346 282 HG23 ILE 33 HG23 ILE 33 5.643 -0.168 -7.857 283 HD11 ILE 33 HD11 ILE 33 2.150 0.314 -7.023 284 HD12 ILE 33 HD12 ILE 33 2.092 1.985 -7.582 285 HD13 ILE 33 HD13 ILE 33 1.293 1.530 -6.078 286 H THR 34 H THR 34 5.756 2.876 -3.665 287 HA THR 34 HA THR 34 6.632 0.443 -2.267 288 HB THR 34 HB THR 34 6.566 3.285 -1.231 289 HG1 THR 34 HG1 THR 34 8.244 2.090 -2.976 290 HG21 THR 34 HG21 THR 34 7.991 0.821 -0.215 291 HG22 THR 34 HG22 THR 34 6.568 1.560 0.517 292 HG23 THR 34 HG23 THR 34 8.095 2.440 0.483 293 H ILE 35 H ILE 35 5.338 -0.582 -0.852 294 HA ILE 35 HA ILE 35 2.740 0.667 -0.247 295 HB ILE 35 HB ILE 35 3.482 -2.251 -0.500 296 HG12 ILE 35 HG12 ILE 35 1.422 -2.175 -2.034 297 HG13 ILE 35 HG13 ILE 35 1.579 -0.424 -1.959 298 HG21 ILE 35 HG21 ILE 35 2.118 -2.028 1.487 299 HG22 ILE 35 HG22 ILE 35 1.189 -2.790 0.196 300 HG23 ILE 35 HG23 ILE 35 0.922 -1.093 0.591 301 HD11 ILE 35 HD11 ILE 35 2.601 -1.317 -3.965 302 HD12 ILE 35 HD12 ILE 35 3.652 -2.345 -2.991 303 HD13 ILE 35 HD13 ILE 35 3.818 -0.592 -2.915 304 H LEU 36 H LEU 36 2.452 1.294 1.768 305 HA LEU 36 HA LEU 36 4.117 0.159 3.899 306 HB2 LEU 36 HB2 LEU 36 2.410 2.640 3.725 307 HB3 LEU 36 HB3 LEU 36 3.026 2.043 5.253 308 HG LEU 36 HG LEU 36 5.349 2.277 4.318 309 HD11 LEU 36 HD11 LEU 36 4.793 2.266 1.939 310 HD12 LEU 36 HD12 LEU 36 5.668 3.732 2.389 311 HD13 LEU 36 HD13 LEU 36 3.923 3.788 2.135 312 HD21 LEU 36 HD21 LEU 36 3.666 4.770 4.467 313 HD22 LEU 36 HD22 LEU 36 5.421 4.696 4.632 314 HD23 LEU 36 HD23 LEU 36 4.386 3.921 5.834 315 H GLY 37 H GLY 37 3.273 -1.534 4.925 316 HA2 GLY 37 HA2 GLY 37 0.336 -1.762 4.964 317 HA3 GLY 37 HA3 GLY 37 1.446 -3.119 4.956 318 H ARG 38 H ARG 38 -0.774 -1.973 6.759 319 HA ARG 38 HA ARG 38 0.435 -3.144 9.119 320 HB2 ARG 38 HB2 ARG 38 -0.601 -0.339 9.017 321 HB3 ARG 38 HB3 ARG 38 -0.928 -1.292 10.458 322 HG2 ARG 38 HG2 ARG 38 1.792 -0.676 9.315 323 HG3 ARG 38 HG3 ARG 38 1.068 0.050 10.752 324 HD2 ARG 38 HD2 ARG 38 0.987 -2.170 11.811 325 HD3 ARG 38 HD3 ARG 38 1.751 -2.868 10.386 326 HE ARG 38 HE ARG 38 3.354 -0.773 11.419 327 HH11 ARG 38 HH11 ARG 38 2.397 -4.077 12.100 328 HH12 ARG 38 HH12 ARG 38 3.852 -4.460 12.965 329 HH21 ARG 38 HH21 ARG 38 5.246 -1.260 12.596 330 HH22 ARG 38 HH22 ARG 38 5.445 -2.834 13.310 331 H LEU 39 H LEU 39 -1.307 -3.836 10.671 332 HA LEU 39 HA LEU 39 -3.720 -4.444 9.114 333 HB2 LEU 39 HB2 LEU 39 -3.718 -6.704 9.920 334 HB3 LEU 39 HB3 LEU 39 -2.179 -6.363 9.159 335 HG LEU 39 HG LEU 39 -2.557 -6.287 12.153 336 HD11 LEU 39 HD11 LEU 39 -1.642 -8.579 10.422 337 HD12 LEU 39 HD12 LEU 39 -3.136 -8.509 11.356 338 HD13 LEU 39 HD13 LEU 39 -1.579 -8.530 12.183 339 HD21 LEU 39 HD21 LEU 39 -0.591 -5.115 11.327 340 HD22 LEU 39 HD22 LEU 39 -0.115 -6.534 10.397 341 HD23 LEU 39 HD23 LEU 39 -0.121 -6.597 12.159 342 H ASN 40 H ASN 40 -5.595 -4.249 10.056 343 HA ASN 40 HA ASN 40 -5.967 -4.591 12.885 344 HB2 ASN 40 HB2 ASN 40 -5.373 -2.204 12.835 345 HB3 ASN 40 HB3 ASN 40 -6.597 -1.912 11.606 346 HD21 ASN 40 HD21 ASN 40 -6.001 -2.620 14.958 347 HD22 ASN 40 HD22 ASN 40 -7.586 -2.245 15.531 348 H SER 41 H SER 41 -7.962 -5.416 13.258 349 HA SER 41 HA SER 41 -9.539 -6.043 10.937 350 HB2 SER 41 HB2 SER 41 -9.067 -7.640 12.872 351 HB3 SER 41 HB3 SER 41 -10.242 -6.707 13.797 352 HG SER 41 HG SER 41 -11.823 -7.550 12.680 353 H LEU 42 H LEU 42 -10.179 -3.949 10.349 354 HA LEU 42 HA LEU 42 -12.025 -2.562 12.150 355 HB2 LEU 42 HB2 LEU 42 -10.115 -1.351 11.077 356 HB3 LEU 42 HB3 LEU 42 -10.860 -1.648 9.519 357 HG LEU 42 HG LEU 42 -12.830 -0.320 10.247 358 HD11 LEU 42 HD11 LEU 42 -12.627 1.080 12.247 359 HD12 LEU 42 HD12 LEU 42 -11.115 0.268 12.659 360 HD13 LEU 42 HD13 LEU 42 -12.630 -0.638 12.650 361 HD21 LEU 42 HD21 LEU 42 -11.731 1.851 10.081 362 HD22 LEU 42 HD22 LEU 42 -11.022 0.699 8.951 363 HD23 LEU 42 HD23 LEU 42 -10.177 1.101 10.445 364 H GLY 43 H GLY 43 -12.009 -4.693 9.551 365 HA2 GLY 43 HA2 GLY 43 -13.844 -5.657 8.494 366 HA3 GLY 43 HA3 GLY 43 -14.873 -4.414 9.194 367 H HIS 44 H HIS 44 -14.678 -2.235 8.262 368 HA HIS 44 HA HIS 44 -14.540 -2.414 5.366 369 HB2 HIS 44 HB2 HIS 44 -15.541 -0.172 5.354 370 HB3 HIS 44 HB3 HIS 44 -16.478 -1.281 6.340 371 HD1 HIS 44 HD1 HIS 44 -15.846 2.049 6.380 372 HD2 HIS 44 HD2 HIS 44 -15.127 -0.891 9.239 373 HE1 HIS 44 HE1 HIS 44 -15.698 3.256 8.582 374 HE2 HIS 44 HE2 HIS 44 -15.229 1.473 10.295 375 HA PRO 45 HA PRO 45 -10.418 -0.807 5.628 376 HB2 PRO 45 HB2 PRO 45 -9.602 -1.631 3.236 377 HB3 PRO 45 HB3 PRO 45 -9.982 -2.792 4.514 378 HG2 PRO 45 HG2 PRO 45 -11.568 -2.027 2.114 379 HG3 PRO 45 HG3 PRO 45 -11.420 -3.604 2.908 380 HD2 PRO 45 HD2 PRO 45 -13.515 -1.752 3.238 381 HD3 PRO 45 HD3 PRO 45 -13.202 -3.178 4.245 382 H ARG 46 H ARG 46 -8.958 0.521 4.269 383 HA ARG 46 HA ARG 46 -10.376 2.404 2.501 384 HB2 ARG 46 HB2 ARG 46 -8.029 3.040 4.311 385 HB3 ARG 46 HB3 ARG 46 -8.860 4.168 3.254 386 HG2 ARG 46 HG2 ARG 46 -10.281 2.770 5.490 387 HG3 ARG 46 HG3 ARG 46 -9.375 4.262 5.745 388 HD2 ARG 46 HD2 ARG 46 -11.643 4.870 5.399 389 HD3 ARG 46 HD3 ARG 46 -10.764 5.299 3.935 390 HE ARG 46 HE ARG 46 -11.832 2.735 3.594 391 HH11 ARG 46 HH11 ARG 46 -12.935 6.028 4.003 392 HH12 ARG 46 HH12 ARG 46 -14.373 5.805 3.045 393 HH21 ARG 46 HH21 ARG 46 -13.727 2.419 2.363 394 HH22 ARG 46 HH22 ARG 46 -14.842 3.733 2.146 395 H ILE 47 H ILE 47 -8.612 3.555 1.054 396 HA ILE 47 HA ILE 47 -6.365 1.751 0.571 397 HB ILE 47 HB ILE 47 -8.022 1.129 -1.102 398 HG12 ILE 47 HG12 ILE 47 -5.692 2.671 -2.262 399 HG13 ILE 47 HG13 ILE 47 -5.664 1.000 -1.706 400 HG21 ILE 47 HG21 ILE 47 -8.719 2.701 -2.865 401 HG22 ILE 47 HG22 ILE 47 -7.941 4.012 -1.981 402 HG23 ILE 47 HG23 ILE 47 -9.312 3.161 -1.270 403 HD11 ILE 47 HD11 ILE 47 -5.770 1.135 -4.127 404 HD12 ILE 47 HD12 ILE 47 -7.272 2.053 -4.019 405 HD13 ILE 47 HD13 ILE 47 -7.220 0.380 -3.466 406 H GLY 48 H GLY 48 -4.738 2.971 1.198 407 HA2 GLY 48 HA2 GLY 48 -4.733 5.832 0.779 408 HA3 GLY 48 HA3 GLY 48 -3.469 4.885 1.555 409 H LEU 49 H LEU 49 -3.681 6.957 -0.735 410 HA LEU 49 HA LEU 49 -1.735 5.608 -2.431 411 HB2 LEU 49 HB2 LEU 49 -3.960 5.311 -3.504 412 HB3 LEU 49 HB3 LEU 49 -4.137 7.054 -3.559 413 HG LEU 49 HG LEU 49 -2.136 7.177 -5.027 414 HD11 LEU 49 HD11 LEU 49 -1.325 5.124 -6.083 415 HD12 LEU 49 HD12 LEU 49 -2.361 4.170 -5.021 416 HD13 LEU 49 HD13 LEU 49 -1.037 5.117 -4.343 417 HD21 LEU 49 HD21 LEU 49 -4.399 7.152 -5.956 418 HD22 LEU 49 HD22 LEU 49 -4.345 5.390 -6.033 419 HD23 LEU 49 HD23 LEU 49 -3.246 6.350 -7.023 420 H THR 50 H THR 50 -0.190 6.932 -1.537 421 HA THR 50 HA THR 50 -0.558 9.813 -1.658 422 HB THR 50 HB THR 50 1.859 8.281 -0.684 423 HG1 THR 50 HG1 THR 50 -0.631 8.571 0.405 424 HG21 THR 50 HG21 THR 50 2.330 10.338 0.564 425 HG22 THR 50 HG22 THR 50 0.897 11.094 -0.133 426 HG23 THR 50 HG23 THR 50 2.254 10.654 -1.169 427 H VAL 51 H VAL 51 -0.546 10.212 -3.847 428 HA VAL 51 HA VAL 51 1.851 9.502 -5.364 429 HB VAL 51 HB VAL 51 -0.713 10.825 -6.284 430 HG11 VAL 51 HG11 VAL 51 1.203 11.472 -7.658 431 HG12 VAL 51 HG12 VAL 51 0.101 10.422 -8.551 432 HG13 VAL 51 HG13 VAL 51 1.608 9.772 -7.901 433 HG21 VAL 51 HG21 VAL 51 -1.207 8.682 -7.343 434 HG22 VAL 51 HG22 VAL 51 -1.032 8.502 -5.598 435 HG23 VAL 51 HG23 VAL 51 0.275 8.000 -6.670 436 H ALA 52 H ALA 52 3.494 10.867 -5.170 437 HA ALA 52 HA ALA 52 3.121 13.607 -4.389 438 HB1 ALA 52 HB1 ALA 52 5.041 12.343 -3.573 439 HB2 ALA 52 HB2 ALA 52 5.563 13.747 -4.503 440 HB3 ALA 52 HB3 ALA 52 5.619 12.141 -5.226 441 H LYS 53 H LYS 53 2.927 15.313 -5.687 442 HA LYS 53 HA LYS 53 2.705 14.845 -8.520 443 HB2 LYS 53 HB2 LYS 53 2.412 17.398 -6.924 444 HB3 LYS 53 HB3 LYS 53 1.988 17.205 -8.622 445 HG2 LYS 53 HG2 LYS 53 0.326 15.503 -7.988 446 HG3 LYS 53 HG3 LYS 53 0.720 15.780 -6.291 447 HD2 LYS 53 HD2 LYS 53 -1.272 17.019 -6.865 448 HD3 LYS 53 HD3 LYS 53 0.051 18.146 -6.560 449 HE2 LYS 53 HE2 LYS 53 0.413 18.384 -8.959 450 HE3 LYS 53 HE3 LYS 53 -0.877 17.226 -9.281 451 HZ1 LYS 53 HZ1 LYS 53 -1.182 19.873 -7.968 452 HZ2 LYS 53 HZ2 LYS 53 -2.433 18.752 -8.198 453 HZ3 LYS 53 HZ3 LYS 53 -1.680 19.469 -9.539 454 H LYS 54 H LYS 54 5.303 15.244 -6.681 455 HA LYS 54 HA LYS 54 6.777 16.964 -8.515 456 HB2 LYS 54 HB2 LYS 54 8.633 16.741 -6.960 457 HB3 LYS 54 HB3 LYS 54 7.174 17.196 -6.090 458 HG2 LYS 54 HG2 LYS 54 6.882 14.922 -5.323 459 HG3 LYS 54 HG3 LYS 54 8.276 14.399 -6.269 460 HD2 LYS 54 HD2 LYS 54 8.282 16.307 -3.932 461 HD3 LYS 54 HD3 LYS 54 8.930 14.665 -3.963 462 HE2 LYS 54 HE2 LYS 54 10.535 15.384 -5.717 463 HE3 LYS 54 HE3 LYS 54 9.936 17.034 -5.542 464 HZ1 LYS 54 HZ1 LYS 54 11.887 16.850 -4.246 465 HZ2 LYS 54 HZ2 LYS 54 11.369 15.405 -3.524 466 HZ3 LYS 54 HZ3 LYS 54 10.590 16.865 -3.147 467 H ASN 55 H ASN 55 6.145 13.634 -7.918 468 HA ASN 55 HA ASN 55 8.282 12.931 -9.805 469 HB2 ASN 55 HB2 ASN 55 8.353 10.680 -8.813 470 HB3 ASN 55 HB3 ASN 55 8.770 11.932 -7.658 471 HD21 ASN 55 HD21 ASN 55 8.329 10.645 -5.906 472 HD22 ASN 55 HD22 ASN 55 6.731 10.166 -5.456 473 H VAL 56 H VAL 56 4.911 12.612 -8.990 474 HA VAL 56 HA VAL 56 4.505 11.591 -11.721 475 HB VAL 56 HB VAL 56 2.611 11.190 -9.391 476 HG11 VAL 56 HG11 VAL 56 1.408 9.710 -10.924 477 HG12 VAL 56 HG12 VAL 56 2.549 10.107 -12.207 478 HG13 VAL 56 HG13 VAL 56 1.488 11.357 -11.555 479 HG21 VAL 56 HG21 VAL 56 4.408 9.186 -10.755 480 HG22 VAL 56 HG22 VAL 56 3.222 8.827 -9.502 481 HG23 VAL 56 HG23 VAL 56 4.628 9.826 -9.127 482 H ARG 57 H ARG 57 4.532 13.683 -12.523 483 HA ARG 57 HA ARG 57 2.400 15.497 -11.617 484 HB2 ARG 57 HB2 ARG 57 3.629 17.154 -13.098 485 HB3 ARG 57 HB3 ARG 57 4.504 16.601 -11.674 486 HG2 ARG 57 HG2 ARG 57 5.631 14.914 -13.155 487 HG3 ARG 57 HG3 ARG 57 4.899 15.747 -14.526 488 HD2 ARG 57 HD2 ARG 57 6.108 17.711 -14.118 489 HD3 ARG 57 HD3 ARG 57 6.557 17.198 -12.491 490 HE ARG 57 HE ARG 57 7.544 15.507 -14.617 491 HH11 ARG 57 HH11 ARG 57 8.175 18.282 -12.580 492 HH12 ARG 57 HH12 ARG 57 9.901 18.171 -12.747 493 HH21 ARG 57 HH21 ARG 57 9.792 15.332 -14.826 494 HH22 ARG 57 HH22 ARG 57 10.827 16.479 -14.029 495 H ARG 58 H ARG 58 1.576 13.269 -12.944 496 HA ARG 58 HA ARG 58 1.060 14.149 -15.700 497 HB2 ARG 58 HB2 ARG 58 1.016 11.383 -14.494 498 HB3 ARG 58 HB3 ARG 58 0.598 11.756 -16.160 499 HG2 ARG 58 HG2 ARG 58 3.284 12.319 -14.926 500 HG3 ARG 58 HG3 ARG 58 2.897 10.864 -15.842 501 HD2 ARG 58 HD2 ARG 58 4.000 12.403 -17.306 502 HD3 ARG 58 HD3 ARG 58 2.306 12.305 -17.778 503 HE ARG 58 HE ARG 58 2.557 14.465 -16.033 504 HH11 ARG 58 HH11 ARG 58 3.774 13.518 -19.173 505 HH12 ARG 58 HH12 ARG 58 3.835 15.147 -19.786 506 HH21 ARG 58 HH21 ARG 58 2.645 16.618 -16.825 507 HH22 ARG 58 HH22 ARG 58 3.227 16.912 -18.438 508 H ALA 59 H ALA 59 -1.089 13.433 -16.579 509 HA ALA 59 HA ALA 59 -3.098 14.220 -14.592 510 HB1 ALA 59 HB1 ALA 59 -4.462 14.914 -16.496 511 HB2 ALA 59 HB2 ALA 59 -3.225 14.322 -17.602 512 HB3 ALA 59 HB3 ALA 59 -2.873 15.679 -16.534 513 H HIS 60 H HIS 60 -2.868 12.067 -17.437 514 HA HIS 60 HA HIS 60 -5.152 10.559 -16.413 515 HB2 HIS 60 HB2 HIS 60 -3.676 10.435 -19.049 516 HB3 HIS 60 HB3 HIS 60 -5.010 9.367 -18.621 517 HD1 HIS 60 HD1 HIS 60 -7.358 10.272 -18.878 518 HD2 HIS 60 HD2 HIS 60 -4.433 13.183 -19.398 519 HE1 HIS 60 HE1 HIS 60 -8.565 12.306 -19.741 520 HE2 HIS 60 HE2 HIS 60 -6.780 14.065 -20.042 521 H GLU 61 H GLU 61 -1.743 10.380 -16.807 522 HA GLU 61 HA GLU 61 -1.411 7.596 -16.367 523 HB2 GLU 61 HB2 GLU 61 0.491 9.876 -15.761 524 HB3 GLU 61 HB3 GLU 61 0.924 8.178 -15.869 525 HG2 GLU 61 HG2 GLU 61 1.609 9.305 -17.872 526 HG3 GLU 61 HG3 GLU 61 0.300 8.192 -18.254 527 H ARG 62 H ARG 62 -1.961 10.357 -14.369 528 HA ARG 62 HA ARG 62 -1.302 9.255 -11.843 529 HB2 ARG 62 HB2 ARG 62 -1.920 11.716 -12.654 530 HB3 ARG 62 HB3 ARG 62 -3.533 11.227 -12.170 531 HG2 ARG 62 HG2 ARG 62 -1.176 11.033 -10.325 532 HG3 ARG 62 HG3 ARG 62 -2.142 12.497 -10.481 533 HD2 ARG 62 HD2 ARG 62 -4.156 11.060 -9.933 534 HD3 ARG 62 HD3 ARG 62 -3.012 9.791 -9.494 535 HE ARG 62 HE ARG 62 -2.398 12.243 -8.190 536 HH11 ARG 62 HH11 ARG 62 -4.579 9.515 -8.044 537 HH12 ARG 62 HH12 ARG 62 -4.878 9.677 -6.339 538 HH21 ARG 62 HH21 ARG 62 -2.803 12.500 -5.979 539 HH22 ARG 62 HH22 ARG 62 -3.854 11.383 -5.152 540 H ASN 63 H ASN 63 -4.115 9.178 -13.918 541 HA ASN 63 HA ASN 63 -5.868 7.897 -12.076 542 HB2 ASN 63 HB2 ASN 63 -5.955 8.026 -15.100 543 HB3 ASN 63 HB3 ASN 63 -7.248 7.396 -14.088 544 HD21 ASN 63 HD21 ASN 63 -7.311 9.590 -15.959 545 HD22 ASN 63 HD22 ASN 63 -7.766 10.996 -15.053 546 H ARG 64 H ARG 64 -3.513 6.817 -14.427 547 HA ARG 64 HA ARG 64 -4.208 4.112 -14.573 548 HB2 ARG 64 HB2 ARG 64 -1.541 5.499 -14.822 549 HB3 ARG 64 HB3 ARG 64 -1.735 3.770 -15.073 550 HG2 ARG 64 HG2 ARG 64 -3.214 5.886 -16.620 551 HG3 ARG 64 HG3 ARG 64 -1.734 5.094 -17.163 552 HD2 ARG 64 HD2 ARG 64 -2.872 2.921 -17.046 553 HD3 ARG 64 HD3 ARG 64 -4.353 3.731 -16.543 554 HE ARG 64 HE ARG 64 -3.869 4.975 -18.843 555 HH11 ARG 64 HH11 ARG 64 -3.744 1.553 -18.060 556 HH12 ARG 64 HH12 ARG 64 -4.167 1.040 -19.664 557 HH21 ARG 64 HH21 ARG 64 -4.431 4.290 -20.955 558 HH22 ARG 64 HH22 ARG 64 -4.585 2.591 -21.293 559 H ILE 65 H ILE 65 -1.915 5.740 -12.392 560 HA ILE 65 HA ILE 65 -1.258 3.467 -10.862 561 HB ILE 65 HB ILE 65 -1.285 6.349 -9.940 562 HG12 ILE 65 HG12 ILE 65 0.016 6.091 -12.008 563 HG13 ILE 65 HG13 ILE 65 1.063 6.433 -10.635 564 HG21 ILE 65 HG21 ILE 65 0.455 5.631 -8.370 565 HG22 ILE 65 HG22 ILE 65 0.276 3.971 -8.940 566 HG23 ILE 65 HG23 ILE 65 -1.059 4.766 -8.107 567 HD11 ILE 65 HD11 ILE 65 0.606 3.730 -11.879 568 HD12 ILE 65 HD12 ILE 65 1.661 4.072 -10.507 569 HD13 ILE 65 HD13 ILE 65 2.029 4.753 -12.092 570 H LYS 66 H LYS 66 -3.803 5.862 -10.602 571 HA LYS 66 HA LYS 66 -4.771 5.105 -8.056 572 HB2 LYS 66 HB2 LYS 66 -5.239 7.287 -8.972 573 HB3 LYS 66 HB3 LYS 66 -6.081 6.578 -10.342 574 HG2 LYS 66 HG2 LYS 66 -7.840 5.784 -8.884 575 HG3 LYS 66 HG3 LYS 66 -6.976 6.405 -7.475 576 HD2 LYS 66 HD2 LYS 66 -8.746 7.938 -8.140 577 HD3 LYS 66 HD3 LYS 66 -7.161 8.678 -8.371 578 HE2 LYS 66 HE2 LYS 66 -7.290 8.006 -10.775 579 HE3 LYS 66 HE3 LYS 66 -8.949 7.484 -10.485 580 HZ1 LYS 66 HZ1 LYS 66 -8.943 9.697 -11.382 581 HZ2 LYS 66 HZ2 LYS 66 -7.881 10.238 -10.179 582 HZ3 LYS 66 HZ3 LYS 66 -9.457 9.767 -9.767 583 H ARG 67 H ARG 67 -5.628 4.122 -11.339 584 HA ARG 67 HA ARG 67 -7.832 2.508 -10.428 585 HB2 ARG 67 HB2 ARG 67 -6.535 2.900 -13.111 586 HB3 ARG 67 HB3 ARG 67 -7.789 1.696 -12.852 587 HG2 ARG 67 HG2 ARG 67 -9.291 3.501 -12.060 588 HG3 ARG 67 HG3 ARG 67 -8.038 4.670 -12.485 589 HD2 ARG 67 HD2 ARG 67 -9.744 4.448 -14.239 590 HD3 ARG 67 HD3 ARG 67 -8.139 3.989 -14.802 591 HE ARG 67 HE ARG 67 -9.002 1.609 -14.234 592 HH11 ARG 67 HH11 ARG 67 -10.934 4.229 -15.520 593 HH12 ARG 67 HH12 ARG 67 -11.999 3.174 -16.402 594 HH21 ARG 67 HH21 ARG 67 -10.383 0.218 -15.413 595 HH22 ARG 67 HH22 ARG 67 -11.667 0.901 -16.374 596 H LEU 68 H LEU 68 -4.496 1.953 -11.411 597 HA LEU 68 HA LEU 68 -4.597 -0.833 -11.680 598 HB2 LEU 68 HB2 LEU 68 -2.699 0.934 -12.155 599 HB3 LEU 68 HB3 LEU 68 -2.185 0.522 -10.533 600 HG LEU 68 HG LEU 68 -0.965 -0.706 -12.308 601 HD11 LEU 68 HD11 LEU 68 -2.626 -2.440 -10.491 602 HD12 LEU 68 HD12 LEU 68 -1.095 -1.662 -10.084 603 HD13 LEU 68 HD13 LEU 68 -1.143 -2.929 -11.311 604 HD21 LEU 68 HD21 LEU 68 -2.106 -2.506 -13.511 605 HD22 LEU 68 HD22 LEU 68 -2.761 -0.921 -13.920 606 HD23 LEU 68 HD23 LEU 68 -3.643 -1.983 -12.823 607 H THR 69 H THR 69 -3.892 1.188 -8.850 608 HA THR 69 HA THR 69 -3.418 -0.941 -7.064 609 HB THR 69 HB THR 69 -3.982 0.833 -5.298 610 HG1 THR 69 HG1 THR 69 -3.695 2.745 -7.316 611 HG21 THR 69 HG21 THR 69 -1.880 2.023 -5.685 612 HG22 THR 69 HG22 THR 69 -1.845 1.434 -7.346 613 HG23 THR 69 HG23 THR 69 -1.692 0.299 -6.005 614 H ARG 70 H ARG 70 -6.335 1.009 -7.671 615 HA ARG 70 HA ARG 70 -7.973 -0.292 -5.785 616 HB2 ARG 70 HB2 ARG 70 -8.488 1.425 -8.177 617 HB3 ARG 70 HB3 ARG 70 -9.836 0.603 -7.402 618 HG2 ARG 70 HG2 ARG 70 -9.403 1.720 -5.329 619 HG3 ARG 70 HG3 ARG 70 -7.915 2.420 -5.965 620 HD2 ARG 70 HD2 ARG 70 -9.069 3.874 -7.387 621 HD3 ARG 70 HD3 ARG 70 -10.563 2.945 -7.269 622 HE ARG 70 HE ARG 70 -11.055 3.984 -5.269 623 HH11 ARG 70 HH11 ARG 70 -7.804 4.847 -6.261 624 HH12 ARG 70 HH12 ARG 70 -7.687 6.178 -5.156 625 HH21 ARG 70 HH21 ARG 70 -10.896 5.724 -3.824 626 HH22 ARG 70 HH22 ARG 70 -9.450 6.679 -3.759 627 H GLU 71 H GLU 71 -7.190 -1.040 -9.108 628 HA GLU 71 HA GLU 71 -9.233 -2.973 -9.516 629 HB2 GLU 71 HB2 GLU 71 -7.990 -1.806 -11.335 630 HB3 GLU 71 HB3 GLU 71 -6.556 -2.722 -10.902 631 HG2 GLU 71 HG2 GLU 71 -7.666 -4.790 -11.501 632 HG3 GLU 71 HG3 GLU 71 -9.148 -3.907 -11.869 633 H SER 72 H SER 72 -5.740 -3.324 -8.904 634 HA SER 72 HA SER 72 -5.814 -6.134 -8.731 635 HB2 SER 72 HB2 SER 72 -3.526 -5.824 -7.670 636 HB3 SER 72 HB3 SER 72 -3.742 -5.102 -9.264 637 HG SER 72 HG SER 72 -3.754 -3.119 -8.393 638 H PHE 73 H PHE 73 -5.955 -3.614 -6.255 639 HA PHE 73 HA PHE 73 -5.640 -5.161 -3.978 640 HB2 PHE 73 HB2 PHE 73 -5.691 -2.715 -3.950 641 HB3 PHE 73 HB3 PHE 73 -7.405 -2.734 -4.346 642 HD1 PHE 73 HD2 PHE 73 -4.978 -3.836 -1.755 643 HD2 PHE 73 HD1 PHE 73 -8.998 -2.764 -2.657 644 HE1 PHE 73 HE2 PHE 73 -5.530 -3.906 0.641 645 HE2 PHE 73 HE1 PHE 73 -9.556 -2.827 -0.261 646 HZ PHE 73 HZ PHE 73 -7.824 -3.403 1.391 647 H ARG 74 H ARG 74 -8.623 -4.458 -5.769 648 HA ARG 74 HA ARG 74 -10.161 -5.987 -3.833 649 HB2 ARG 74 HB2 ARG 74 -10.907 -3.772 -4.848 650 HB3 ARG 74 HB3 ARG 74 -11.215 -4.671 -6.328 651 HG2 ARG 74 HG2 ARG 74 -12.852 -6.040 -5.220 652 HG3 ARG 74 HG3 ARG 74 -12.473 -5.296 -3.665 653 HD2 ARG 74 HD2 ARG 74 -13.165 -3.100 -4.662 654 HD3 ARG 74 HD3 ARG 74 -13.743 -3.999 -6.065 655 HE ARG 74 HE ARG 74 -14.980 -5.238 -4.002 656 HH11 ARG 74 HH11 ARG 74 -14.747 -1.873 -4.945 657 HH12 ARG 74 HH12 ARG 74 -16.300 -1.459 -4.286 658 HH21 ARG 74 HH21 ARG 74 -17.000 -4.690 -3.134 659 HH22 ARG 74 HH22 ARG 74 -17.568 -3.047 -3.250 660 H LEU 75 H LEU 75 -8.734 -6.420 -6.943 661 HA LEU 75 HA LEU 75 -10.407 -8.503 -7.894 662 HB2 LEU 75 HB2 LEU 75 -8.834 -7.252 -9.330 663 HB3 LEU 75 HB3 LEU 75 -7.488 -7.988 -8.485 664 HG LEU 75 HG LEU 75 -8.255 -10.217 -9.293 665 HD11 LEU 75 HD11 LEU 75 -10.599 -9.724 -9.635 666 HD12 LEU 75 HD12 LEU 75 -9.874 -10.283 -11.140 667 HD13 LEU 75 HD13 LEU 75 -10.196 -8.566 -10.904 668 HD21 LEU 75 HD21 LEU 75 -6.488 -9.018 -10.458 669 HD22 LEU 75 HD22 LEU 75 -7.688 -8.158 -11.424 670 HD23 LEU 75 HD23 LEU 75 -7.499 -9.902 -11.602 671 H ARG 76 H ARG 76 -7.846 -8.376 -5.572 672 HA ARG 76 HA ARG 76 -7.790 -11.320 -5.433 673 HB2 ARG 76 HB2 ARG 76 -5.792 -9.548 -4.061 674 HB3 ARG 76 HB3 ARG 76 -5.612 -11.217 -4.576 675 HG2 ARG 76 HG2 ARG 76 -5.662 -8.784 -6.350 676 HG3 ARG 76 HG3 ARG 76 -4.261 -9.774 -5.949 677 HD2 ARG 76 HD2 ARG 76 -6.688 -10.849 -7.360 678 HD3 ARG 76 HD3 ARG 76 -5.306 -10.167 -8.211 679 HE ARG 76 HE ARG 76 -4.779 -12.350 -6.350 680 HH11 ARG 76 HH11 ARG 76 -5.187 -11.241 -9.633 681 HH12 ARG 76 HH12 ARG 76 -4.448 -12.636 -10.350 682 HH21 ARG 76 HH21 ARG 76 -3.801 -14.226 -7.285 683 HH22 ARG 76 HH22 ARG 76 -3.660 -14.332 -9.019 684 H GLN 77 H GLN 77 -9.815 -9.467 -4.302 685 HA GLN 77 HA GLN 77 -9.303 -9.003 -1.552 686 HB2 GLN 77 HB2 GLN 77 -11.027 -7.939 -3.229 687 HB3 GLN 77 HB3 GLN 77 -12.084 -9.207 -2.620 688 HG2 GLN 77 HG2 GLN 77 -12.526 -7.285 -1.337 689 HG3 GLN 77 HG3 GLN 77 -11.580 -8.361 -0.309 690 HE21 GLN 77 HE21 GLN 77 -9.438 -7.815 0.188 691 HE22 GLN 77 HE22 GLN 77 -8.830 -6.215 -0.056 692 H HIS 78 H HIS 78 -9.855 -11.900 -3.061 693 HA HIS 78 HA HIS 78 -11.505 -13.046 -0.956 694 HB2 HIS 78 HB2 HIS 78 -10.214 -14.362 -3.356 695 HB3 HIS 78 HB3 HIS 78 -11.354 -15.131 -2.256 696 HD1 HIS 78 HD1 HIS 78 -11.267 -13.592 -5.444 697 HD2 HIS 78 HD2 HIS 78 -13.923 -13.491 -2.241 698 HE1 HIS 78 HE1 HIS 78 -13.442 -12.766 -6.390 699 HE2 HIS 78 HE2 HIS 78 -14.964 -12.517 -4.399 700 H GLU 79 H GLU 79 -8.191 -12.796 -1.896 701 HA GLU 79 HA GLU 79 -7.422 -14.685 0.230 702 HB2 GLU 79 HB2 GLU 79 -6.766 -15.110 -2.209 703 HB3 GLU 79 HB3 GLU 79 -5.673 -13.747 -2.038 704 HG2 GLU 79 HG2 GLU 79 -4.396 -14.874 -0.386 705 HG3 GLU 79 HG3 GLU 79 -5.593 -16.164 -0.257 706 H LEU 80 H LEU 80 -7.510 -11.445 -0.688 707 HA LEU 80 HA LEU 80 -5.416 -10.682 1.229 708 HB2 LEU 80 HB2 LEU 80 -5.555 -9.815 -1.226 709 HB3 LEU 80 HB3 LEU 80 -6.852 -8.806 -0.629 710 HG LEU 80 HG LEU 80 -4.046 -8.749 0.487 711 HD11 LEU 80 HD11 LEU 80 -5.334 -6.954 -1.565 712 HD12 LEU 80 HD12 LEU 80 -4.024 -8.098 -1.855 713 HD13 LEU 80 HD13 LEU 80 -3.757 -6.696 -0.817 714 HD21 LEU 80 HD21 LEU 80 -6.366 -6.840 0.769 715 HD22 LEU 80 HD22 LEU 80 -4.743 -6.592 1.415 716 HD23 LEU 80 HD23 LEU 80 -5.744 -7.911 2.024 717 HA PRO 81 HA PRO 81 -8.910 -10.100 4.032 718 HB2 PRO 81 HB2 PRO 81 -6.741 -8.864 5.646 719 HB3 PRO 81 HB3 PRO 81 -7.906 -10.114 6.095 720 HG2 PRO 81 HG2 PRO 81 -5.363 -10.741 5.619 721 HG3 PRO 81 HG3 PRO 81 -6.679 -11.808 5.089 722 HD2 PRO 81 HD2 PRO 81 -5.023 -9.898 3.491 723 HD3 PRO 81 HD3 PRO 81 -5.617 -11.514 3.055 724 H ALA 82 H ALA 82 -10.236 -8.423 4.396 725 HA ALA 82 HA ALA 82 -9.739 -5.966 3.048 726 HB1 ALA 82 HB1 ALA 82 -11.951 -5.319 3.832 727 HB2 ALA 82 HB2 ALA 82 -11.972 -6.692 4.939 728 HB3 ALA 82 HB3 ALA 82 -11.970 -6.963 3.196 729 H MET 83 H MET 83 -8.059 -4.869 3.926 730 HA MET 83 HA MET 83 -8.700 -3.323 6.271 731 HB2 MET 83 HB2 MET 83 -6.418 -3.739 7.284 732 HB3 MET 83 HB3 MET 83 -7.573 -5.054 7.433 733 HG2 MET 83 HG2 MET 83 -6.487 -6.140 5.478 734 HG3 MET 83 HG3 MET 83 -5.261 -4.872 5.520 735 HE1 MET 83 HE1 MET 83 -3.451 -6.910 5.665 736 HE2 MET 83 HE2 MET 83 -4.769 -8.082 5.713 737 HE3 MET 83 HE3 MET 83 -3.496 -8.137 6.934 738 H ASP 84 H ASP 84 -7.041 -1.563 6.573 739 HA ASP 84 HA ASP 84 -6.803 -0.320 3.993 740 HB2 ASP 84 HB2 ASP 84 -7.633 1.057 5.728 741 HB3 ASP 84 HB3 ASP 84 -6.326 0.615 6.817 742 H PHE 85 H PHE 85 -5.001 0.369 2.950 743 HA PHE 85 HA PHE 85 -2.361 -0.168 4.089 744 HB2 PHE 85 HB2 PHE 85 -3.327 -1.210 1.414 745 HB3 PHE 85 HB3 PHE 85 -1.626 -1.089 1.845 746 HD1 PHE 85 HD2 PHE 85 -0.814 -2.401 3.858 747 HD2 PHE 85 HD1 PHE 85 -4.587 -3.072 2.013 748 HE1 PHE 85 HE2 PHE 85 -0.914 -4.631 4.893 749 HE2 PHE 85 HE1 PHE 85 -4.699 -5.304 3.046 750 HZ PHE 85 HZ PHE 85 -2.861 -6.086 4.486 751 H VAL 86 H VAL 86 -0.828 1.314 3.453 752 HA VAL 86 HA VAL 86 -1.859 3.537 1.824 753 HB VAL 86 HB VAL 86 0.439 3.551 3.791 754 HG11 VAL 86 HG11 VAL 86 0.756 5.188 2.024 755 HG12 VAL 86 HG12 VAL 86 0.343 6.001 3.534 756 HG13 VAL 86 HG13 VAL 86 -0.877 5.807 2.275 757 HG21 VAL 86 HG21 VAL 86 -1.058 4.883 5.210 758 HG22 VAL 86 HG22 VAL 86 -1.701 3.268 4.914 759 HG23 VAL 86 HG23 VAL 86 -2.359 4.653 4.042 760 H VAL 87 H VAL 87 -1.227 3.434 -0.215 761 HA VAL 87 HA VAL 87 1.400 2.322 -0.878 762 HB VAL 87 HB VAL 87 -0.852 3.173 -2.712 763 HG11 VAL 87 HG11 VAL 87 0.340 1.919 -4.428 764 HG12 VAL 87 HG12 VAL 87 1.632 1.567 -3.282 765 HG13 VAL 87 HG13 VAL 87 1.334 3.229 -3.789 766 HG21 VAL 87 HG21 VAL 87 -1.307 0.785 -2.976 767 HG22 VAL 87 HG22 VAL 87 -1.520 1.300 -1.303 768 HG23 VAL 87 HG23 VAL 87 -0.069 0.415 -1.776 769 H VAL 88 H VAL 88 3.063 3.572 -1.502 770 HA VAL 88 HA VAL 88 2.532 6.432 -2.000 771 HB VAL 88 HB VAL 88 5.024 5.196 -0.801 772 HG11 VAL 88 HG11 VAL 88 5.761 7.500 -0.445 773 HG12 VAL 88 HG12 VAL 88 4.321 8.089 -1.276 774 HG13 VAL 88 HG13 VAL 88 5.530 7.159 -2.161 775 HG21 VAL 88 HG21 VAL 88 4.371 6.386 1.247 776 HG22 VAL 88 HG22 VAL 88 3.170 5.182 0.773 777 HG23 VAL 88 HG23 VAL 88 2.875 6.894 0.461 778 H ALA 89 H ALA 89 3.199 7.245 -3.892 779 HA ALA 89 HA ALA 89 4.371 5.415 -5.822 780 HB1 ALA 89 HB1 ALA 89 3.329 8.224 -6.184 781 HB2 ALA 89 HB2 ALA 89 2.421 6.741 -6.466 782 HB3 ALA 89 HB3 ALA 89 3.814 7.124 -7.476 783 H LYS 90 H LYS 90 6.412 5.451 -6.477 784 HA LYS 90 HA LYS 90 8.175 7.570 -5.486 785 HB2 LYS 90 HB2 LYS 90 8.763 4.831 -6.621 786 HB3 LYS 90 HB3 LYS 90 10.004 5.999 -6.197 787 HG2 LYS 90 HG2 LYS 90 7.987 4.939 -4.233 788 HG3 LYS 90 HG3 LYS 90 9.574 4.214 -4.494 789 HD2 LYS 90 HD2 LYS 90 10.593 6.426 -3.935 790 HD3 LYS 90 HD3 LYS 90 8.980 7.003 -3.509 791 HE2 LYS 90 HE2 LYS 90 8.797 5.342 -1.769 792 HE3 LYS 90 HE3 LYS 90 10.330 4.616 -2.251 793 HZ1 LYS 90 HZ1 LYS 90 11.386 6.793 -1.701 794 HZ2 LYS 90 HZ2 LYS 90 10.745 5.967 -0.369 795 HZ3 LYS 90 HZ3 LYS 90 9.908 7.286 -1.025 796 H LYS 91 H LYS 91 10.069 8.011 -7.080 797 HA LYS 91 HA LYS 91 8.836 9.030 -9.484 798 HB2 LYS 91 HB2 LYS 91 11.188 10.012 -9.834 799 HB3 LYS 91 HB3 LYS 91 10.228 10.615 -8.491 800 HG2 LYS 91 HG2 LYS 91 11.469 9.060 -6.993 801 HG3 LYS 91 HG3 LYS 91 12.505 8.654 -8.363 802 HD2 LYS 91 HD2 LYS 91 13.203 10.965 -8.560 803 HD3 LYS 91 HD3 LYS 91 12.102 11.434 -7.265 804 HE2 LYS 91 HE2 LYS 91 14.332 11.285 -6.382 805 HE3 LYS 91 HE3 LYS 91 13.366 9.967 -5.721 806 HZ1 LYS 91 HZ1 LYS 91 15.583 9.259 -6.409 807 HZ2 LYS 91 HZ2 LYS 91 15.250 9.728 -8.005 808 HZ3 LYS 91 HZ3 LYS 91 14.373 8.460 -7.290 809 H GLY 92 H GLY 92 8.603 6.524 -9.891 810 HA2 GLY 92 HA2 GLY 92 10.234 6.093 -12.226 811 HA3 GLY 92 HA3 GLY 92 10.546 4.929 -10.946 812 H VAL 93 H VAL 93 7.347 6.126 -11.047 813 HA VAL 93 HA VAL 93 6.462 3.688 -12.435 814 HB VAL 93 HB VAL 93 6.289 3.586 -9.907 815 HG11 VAL 93 HG11 VAL 93 4.119 5.623 -10.349 816 HG12 VAL 93 HG12 VAL 93 5.627 5.865 -9.465 817 HG13 VAL 93 HG13 VAL 93 4.414 4.741 -8.850 818 HG21 VAL 93 HG21 VAL 93 3.740 3.298 -11.491 819 HG22 VAL 93 HG22 VAL 93 4.066 2.561 -9.922 820 HG23 VAL 93 HG23 VAL 93 5.015 2.089 -11.331 821 H ALA 94 H ALA 94 6.626 6.852 -12.776 822 HA ALA 94 HA ALA 94 3.846 7.525 -13.212 823 HB1 ALA 94 HB1 ALA 94 4.688 9.720 -13.880 824 HB2 ALA 94 HB2 ALA 94 6.344 9.111 -13.810 825 HB3 ALA 94 HB3 ALA 94 5.377 9.214 -12.338 826 H ASP 95 H ASP 95 6.625 6.583 -15.069 827 HA ASP 95 HA ASP 95 4.983 6.641 -17.516 828 HB2 ASP 95 HB2 ASP 95 6.922 8.134 -17.673 829 HB3 ASP 95 HB3 ASP 95 7.996 6.803 -17.256 830 H LEU 96 H LEU 96 4.206 4.653 -17.825 831 HA LEU 96 HA LEU 96 6.053 2.396 -17.512 832 HB2 LEU 96 HB2 LEU 96 4.099 1.075 -16.585 833 HB3 LEU 96 HB3 LEU 96 4.843 2.251 -15.522 834 HG LEU 96 HG LEU 96 2.937 3.829 -16.229 835 HD11 LEU 96 HD11 LEU 96 1.714 1.204 -17.061 836 HD12 LEU 96 HD12 LEU 96 2.135 2.535 -18.137 837 HD13 LEU 96 HD13 LEU 96 0.872 2.746 -16.924 838 HD21 LEU 96 HD21 LEU 96 3.131 2.844 -14.017 839 HD22 LEU 96 HD22 LEU 96 2.347 1.371 -14.590 840 HD23 LEU 96 HD23 LEU 96 1.447 2.886 -14.538 841 H ASP 97 H ASP 97 5.467 0.480 -18.643 842 HA ASP 97 HA ASP 97 4.157 1.029 -21.184 843 HB2 ASP 97 HB2 ASP 97 6.343 -0.068 -21.226 844 HB3 ASP 97 HB3 ASP 97 5.738 -1.367 -20.204 845 H ASN 98 H ASN 98 2.663 -0.655 -22.074 846 HA ASN 98 HA ASN 98 0.468 -1.027 -20.357 847 HB2 ASN 98 HB2 ASN 98 1.103 -2.178 -23.071 848 HB3 ASN 98 HB3 ASN 98 -0.404 -2.521 -22.227 849 HD21 ASN 98 HD21 ASN 98 1.413 -0.215 -24.025 850 HD22 ASN 98 HD22 ASN 98 0.176 0.993 -24.130 851 H ARG 99 H ARG 99 3.145 -3.141 -21.214 852 HA ARG 99 HA ARG 99 1.926 -5.364 -19.773 853 HB2 ARG 99 HB2 ARG 99 3.220 -5.921 -21.756 854 HB3 ARG 99 HB3 ARG 99 4.635 -5.107 -21.097 855 HG2 ARG 99 HG2 ARG 99 4.612 -6.739 -19.213 856 HG3 ARG 99 HG3 ARG 99 3.323 -7.604 -20.049 857 HD2 ARG 99 HD2 ARG 99 4.751 -8.124 -21.875 858 HD3 ARG 99 HD3 ARG 99 6.003 -7.028 -21.286 859 HE ARG 99 HE ARG 99 5.432 -8.999 -19.332 860 HH11 ARG 99 HH11 ARG 99 6.983 -8.627 -22.453 861 HH12 ARG 99 HH12 ARG 99 8.169 -9.868 -22.153 862 HH21 ARG 99 HH21 ARG 99 6.965 -10.659 -18.952 863 HH22 ARG 99 HH22 ARG 99 8.151 -11.030 -20.169 864 H ALA 100 H ALA 100 4.241 -2.828 -19.270 865 HA ALA 100 HA ALA 100 5.717 -3.895 -17.150 866 HB1 ALA 100 HB1 ALA 100 6.354 -1.851 -18.344 867 HB2 ALA 100 HB2 ALA 100 6.321 -1.607 -16.598 868 HB3 ALA 100 HB3 ALA 100 5.001 -0.999 -17.600 869 H LEU 101 H LEU 101 2.580 -2.295 -17.188 870 HA LEU 101 HA LEU 101 2.372 -2.108 -14.354 871 HB2 LEU 101 HB2 LEU 101 -0.033 -1.649 -14.780 872 HB3 LEU 101 HB3 LEU 101 1.064 -0.608 -15.659 873 HG LEU 101 HG LEU 101 0.666 -2.325 -17.607 874 HD11 LEU 101 HD11 LEU 101 -1.647 -3.183 -17.591 875 HD12 LEU 101 HD12 LEU 101 -1.789 -2.701 -15.901 876 HD13 LEU 101 HD13 LEU 101 -0.626 -3.940 -16.369 877 HD21 LEU 101 HD21 LEU 101 -1.399 -0.292 -16.782 878 HD22 LEU 101 HD22 LEU 101 -1.168 -0.937 -18.406 879 HD23 LEU 101 HD23 LEU 101 0.093 0.044 -17.660 880 H SER 102 H SER 102 1.798 -4.634 -16.641 881 HA SER 102 HA SER 102 0.248 -6.271 -14.847 882 HB2 SER 102 HB2 SER 102 1.751 -7.184 -17.310 883 HB3 SER 102 HB3 SER 102 0.351 -7.946 -16.553 884 HG SER 102 HG SER 102 -0.873 -6.082 -17.151 885 H GLU 103 H GLU 103 3.608 -5.967 -15.861 886 HA GLU 103 HA GLU 103 4.654 -8.203 -14.507 887 HB2 GLU 103 HB2 GLU 103 5.999 -5.556 -15.103 888 HB3 GLU 103 HB3 GLU 103 6.822 -7.046 -14.667 889 HG2 GLU 103 HG2 GLU 103 5.189 -6.600 -17.155 890 HG3 GLU 103 HG3 GLU 103 6.948 -6.607 -17.055 891 H ALA 104 H ALA 104 4.221 -4.834 -13.515 892 HA ALA 104 HA ALA 104 5.331 -5.209 -10.911 893 HB1 ALA 104 HB1 ALA 104 4.515 -2.963 -10.455 894 HB2 ALA 104 HB2 ALA 104 3.555 -2.998 -11.934 895 HB3 ALA 104 HB3 ALA 104 5.315 -3.029 -12.025 896 H LEU 105 H LEU 105 2.245 -5.737 -12.327 897 HA LEU 105 HA LEU 105 0.539 -5.393 -10.145 898 HB2 LEU 105 HB2 LEU 105 -0.078 -5.764 -12.569 899 HB3 LEU 105 HB3 LEU 105 0.246 -7.465 -12.319 900 HG LEU 105 HG LEU 105 -1.781 -6.045 -10.618 901 HD11 LEU 105 HD11 LEU 105 -3.501 -6.697 -12.224 902 HD12 LEU 105 HD12 LEU 105 -2.256 -7.268 -13.336 903 HD13 LEU 105 HD13 LEU 105 -2.365 -5.553 -12.938 904 HD21 LEU 105 HD21 LEU 105 -1.529 -8.902 -11.569 905 HD22 LEU 105 HD22 LEU 105 -2.761 -8.270 -10.474 906 HD23 LEU 105 HD23 LEU 105 -1.071 -8.308 -9.971 907 H GLU 106 H GLU 106 2.417 -8.240 -11.164 908 HA GLU 106 HA GLU 106 1.299 -9.911 -9.142 909 HB2 GLU 106 HB2 GLU 106 2.872 -11.583 -9.803 910 HB3 GLU 106 HB3 GLU 106 2.314 -10.783 -11.262 911 HG2 GLU 106 HG2 GLU 106 4.412 -10.429 -11.838 912 HG3 GLU 106 HG3 GLU 106 4.613 -9.401 -10.421 913 H LYS 107 H LYS 107 3.901 -7.621 -9.224 914 HA LYS 107 HA LYS 107 5.349 -8.663 -7.002 915 HB2 LYS 107 HB2 LYS 107 5.326 -5.758 -7.802 916 HB3 LYS 107 HB3 LYS 107 6.611 -6.651 -7.009 917 HG2 LYS 107 HG2 LYS 107 5.788 -6.696 -9.886 918 HG3 LYS 107 HG3 LYS 107 7.363 -6.329 -9.189 919 HD2 LYS 107 HD2 LYS 107 6.027 -9.034 -9.286 920 HD3 LYS 107 HD3 LYS 107 7.387 -8.503 -10.272 921 HE2 LYS 107 HE2 LYS 107 8.820 -8.395 -8.362 922 HE3 LYS 107 HE3 LYS 107 7.463 -8.665 -7.264 923 HZ1 LYS 107 HZ1 LYS 107 7.161 -10.861 -8.292 924 HZ2 LYS 107 HZ2 LYS 107 8.681 -10.702 -7.553 925 HZ3 LYS 107 HZ3 LYS 107 8.543 -10.605 -9.239 926 H LEU 108 H LEU 108 2.777 -6.312 -7.400 927 HA LEU 108 HA LEU 108 2.745 -5.477 -4.666 928 HB2 LEU 108 HB2 LEU 108 1.013 -5.010 -7.052 929 HB3 LEU 108 HB3 LEU 108 0.363 -4.651 -5.465 930 HG LEU 108 HG LEU 108 2.252 -3.096 -5.068 931 HD11 LEU 108 HD11 LEU 108 3.895 -4.112 -6.561 932 HD12 LEU 108 HD12 LEU 108 3.660 -2.405 -6.932 933 HD13 LEU 108 HD13 LEU 108 2.926 -3.639 -7.955 934 HD21 LEU 108 HD21 LEU 108 0.625 -2.573 -7.549 935 HD22 LEU 108 HD22 LEU 108 1.470 -1.350 -6.601 936 HD23 LEU 108 HD23 LEU 108 0.135 -2.253 -5.885 937 H TRP 109 H TRP 109 1.711 -8.275 -6.173 938 HA TRP 109 HA TRP 109 -0.311 -8.772 -4.100 939 HB2 TRP 109 HB2 TRP 109 -1.198 -9.085 -6.324 940 HB3 TRP 109 HB3 TRP 109 0.151 -10.128 -6.765 941 HD1 TRP 109 HD1 TRP 109 -0.790 -12.489 -7.023 942 HE1 TRP 109 HE1 TRP 109 -2.348 -14.023 -5.660 943 HE3 TRP 109 HE3 TRP 109 -2.114 -9.217 -3.322 944 HZ2 TRP 109 HZ2 TRP 109 -3.918 -13.864 -3.333 945 HZ3 TRP 109 HZ3 TRP 109 -3.647 -9.994 -1.562 946 HH2 TRP 109 HH2 TRP 109 -4.529 -12.268 -1.567 947 H ARG 110 H ARG 110 2.516 -10.212 -5.687 948 HA ARG 110 HA ARG 110 2.575 -12.613 -4.249 949 HB2 ARG 110 HB2 ARG 110 4.009 -11.509 -6.296 950 HB3 ARG 110 HB3 ARG 110 5.190 -11.495 -4.995 951 HG2 ARG 110 HG2 ARG 110 5.053 -13.849 -4.731 952 HG3 ARG 110 HG3 ARG 110 3.651 -13.946 -5.801 953 HD2 ARG 110 HD2 ARG 110 5.044 -13.140 -7.660 954 HD3 ARG 110 HD3 ARG 110 6.441 -13.112 -6.586 955 HE ARG 110 HE ARG 110 5.505 -15.671 -6.422 956 HH11 ARG 110 HH11 ARG 110 6.383 -13.594 -9.096 957 HH12 ARG 110 HH12 ARG 110 7.044 -14.890 -10.047 958 HH21 ARG 110 HH21 ARG 110 6.351 -17.390 -7.692 959 HH22 ARG 110 HH22 ARG 110 7.039 -17.031 -9.252 960 H ARG 111 H ARG 111 4.301 -9.555 -3.632 961 HA ARG 111 HA ARG 111 5.438 -10.489 -1.171 962 HB2 ARG 111 HB2 ARG 111 6.504 -8.717 -2.526 963 HB3 ARG 111 HB3 ARG 111 5.130 -7.664 -2.222 964 HG2 ARG 111 HG2 ARG 111 6.830 -6.975 -0.746 965 HG3 ARG 111 HG3 ARG 111 5.667 -7.869 0.233 966 HD2 ARG 111 HD2 ARG 111 7.760 -8.646 0.940 967 HD3 ARG 111 HD3 ARG 111 7.164 -9.898 -0.149 968 HE ARG 111 HE ARG 111 9.067 -7.824 -1.043 969 HH11 ARG 111 HH11 ARG 111 8.110 -11.198 -0.764 970 HH12 ARG 111 HH12 ARG 111 9.455 -11.768 -1.716 971 HH21 ARG 111 HH21 ARG 111 10.822 -8.591 -2.257 972 HH22 ARG 111 HH22 ARG 111 11.001 -10.291 -2.544 973 H HIS 112 H HIS 112 2.406 -9.314 -2.110 974 HA HIS 112 HA HIS 112 1.721 -7.992 0.366 975 HB2 HIS 112 HB2 HIS 112 0.854 -7.595 -2.103 976 HB3 HIS 112 HB3 HIS 112 -0.314 -8.830 -1.657 977 HD1 HIS 112 HD1 HIS 112 -0.660 -5.631 -2.197 978 HD2 HIS 112 HD2 HIS 112 -0.946 -7.687 1.406 979 HE1 HIS 112 HE1 HIS 112 -2.071 -4.181 -0.701 980 HE2 HIS 112 HE2 HIS 112 -2.359 -5.519 1.415 981 H CYS 113 H CYS 113 0.823 -10.983 -1.316 982 HA CYS 113 HA CYS 113 -1.123 -11.829 0.527 983 HB2 CYS 113 HB2 CYS 113 -0.981 -12.697 -1.755 984 HB3 CYS 113 HB3 CYS 113 0.561 -13.461 -1.385 985 HG CYS 113 HG CYS 113 -2.112 -14.998 -1.430 986 H ARG 114 H ARG 114 2.329 -12.603 0.267 987 HA ARG 114 HA ARG 114 2.399 -14.590 2.254 988 HB2 ARG 114 HB2 ARG 114 4.175 -14.168 0.550 989 HB3 ARG 114 HB3 ARG 114 4.634 -12.725 1.439 990 HG2 ARG 114 HG2 ARG 114 6.153 -14.488 1.983 991 HG3 ARG 114 HG3 ARG 114 5.154 -14.153 3.398 992 HD2 ARG 114 HD2 ARG 114 3.747 -16.077 2.865 993 HD3 ARG 114 HD3 ARG 114 4.717 -16.398 1.428 994 HE ARG 114 HE ARG 114 5.974 -16.438 4.087 995 HH11 ARG 114 HH11 ARG 114 5.038 -18.101 1.153 996 HH12 ARG 114 HH12 ARG 114 5.988 -19.510 1.496 997 HH21 ARG 114 HH21 ARG 114 7.217 -18.294 4.549 998 HH22 ARG 114 HH22 ARG 114 7.236 -19.619 3.419 999 H LEU 115 H LEU 115 2.140 -11.189 2.497 1000 HA LEU 115 HA LEU 115 3.028 -11.187 5.287 1001 HB2 LEU 115 HB2 LEU 115 3.938 -9.459 3.783 1002 HB3 LEU 115 HB3 LEU 115 2.310 -8.891 3.464 1003 HG LEU 115 HG LEU 115 2.091 -8.274 5.859 1004 HD11 LEU 115 HD11 LEU 115 3.697 -9.853 6.793 1005 HD12 LEU 115 HD12 LEU 115 4.096 -8.198 7.252 1006 HD13 LEU 115 HD13 LEU 115 5.013 -9.005 5.982 1007 HD21 LEU 115 HD21 LEU 115 4.468 -7.061 4.459 1008 HD22 LEU 115 HD22 LEU 115 3.512 -6.311 5.736 1009 HD23 LEU 115 HD23 LEU 115 2.779 -6.640 4.167 1010 H ALA 116 H ALA 116 0.257 -10.343 3.252 1011 HA ALA 116 HA ALA 116 -1.324 -9.278 5.339 1012 HB1 ALA 116 HB1 ALA 116 -3.142 -9.295 3.730 1013 HB2 ALA 116 HB2 ALA 116 -2.211 -10.345 2.667 1014 HB3 ALA 116 HB3 ALA 116 -1.658 -8.703 2.985 1015 H ARG 117 H ARG 117 -0.878 -12.541 4.174 1016 HA ARG 117 HA ARG 117 -3.273 -13.560 5.377 1017 HB2 ARG 117 HB2 ARG 117 -0.838 -14.891 4.211 1018 HB3 ARG 117 HB3 ARG 117 -2.118 -15.813 4.986 1019 HG2 ARG 117 HG2 ARG 117 -3.731 -14.870 3.374 1020 HG3 ARG 117 HG3 ARG 117 -2.397 -14.041 2.566 1021 HD2 ARG 117 HD2 ARG 117 -3.019 -16.163 1.461 1022 HD3 ARG 117 HD3 ARG 117 -1.351 -16.150 2.035 1023 HE ARG 117 HE ARG 117 -3.152 -17.278 3.956 1024 HH11 ARG 117 HH11 ARG 117 -1.444 -18.017 0.974 1025 HH12 ARG 117 HH12 ARG 117 -1.272 -19.709 1.350 1026 HH21 ARG 117 HH21 ARG 117 -2.941 -19.489 4.435 1027 HH22 ARG 117 HH22 ARG 117 -2.100 -20.537 3.334 1028 H GLY 118 H GLY 118 -0.389 -12.510 6.692 1029 HA2 GLY 118 HA2 GLY 118 -0.471 -14.466 8.889 1030 HA3 GLY 118 HA3 GLY 118 0.889 -13.422 8.507 1031 H SER 119 H SER 119 -0.539 -13.822 11.037 1032 HA SER 119 HA SER 119 -0.692 -11.028 11.721 1033 HB2 SER 119 HB2 SER 119 -2.897 -11.203 12.826 1034 HB3 SER 119 HB3 SER 119 -3.023 -11.462 11.088 1035 HG SER 119 HG SER 119 -2.721 -13.631 12.871 Start of MODEL 4 1 H1 MET 1 H1 MET 1 0.957 -8.071 29.405 2 H2 MET 1 H2 MET 1 1.154 -7.107 28.025 3 H3 MET 1 H3 MET 1 1.645 -8.730 28.002 4 HA MET 1 HA MET 1 -0.678 -9.410 28.346 5 HB2 MET 1 HB2 MET 1 -1.227 -6.492 27.749 6 HB3 MET 1 HB3 MET 1 -2.434 -7.755 27.912 7 HG2 MET 1 HG2 MET 1 -1.771 -8.047 30.263 8 HG3 MET 1 HG3 MET 1 -0.628 -6.718 30.078 9 HE1 MET 1 HE1 MET 1 -1.392 -4.219 29.428 10 HE2 MET 1 HE2 MET 1 -3.080 -3.721 29.301 11 HE3 MET 1 HE3 MET 1 -2.387 -4.805 28.097 12 H VAL 2 H VAL 2 -1.436 -10.348 26.511 13 HA VAL 2 HA VAL 2 -0.207 -9.716 24.008 14 HB VAL 2 HB VAL 2 -2.604 -11.501 24.479 15 HG11 VAL 2 HG11 VAL 2 -0.609 -11.381 22.218 16 HG12 VAL 2 HG12 VAL 2 -2.305 -10.899 22.147 17 HG13 VAL 2 HG13 VAL 2 -1.878 -12.593 22.395 18 HG21 VAL 2 HG21 VAL 2 -1.016 -13.359 24.567 19 HG22 VAL 2 HG22 VAL 2 -0.726 -12.207 25.871 20 HG23 VAL 2 HG23 VAL 2 0.325 -12.219 24.457 21 H LYS 3 H LYS 3 -0.719 -7.808 23.122 22 HA LYS 3 HA LYS 3 -3.462 -7.310 22.347 23 HB2 LYS 3 HB2 LYS 3 -3.031 -6.339 24.721 24 HB3 LYS 3 HB3 LYS 3 -2.054 -5.140 23.889 25 HG2 LYS 3 HG2 LYS 3 -4.231 -4.236 24.263 26 HG3 LYS 3 HG3 LYS 3 -4.041 -4.535 22.534 27 HD2 LYS 3 HD2 LYS 3 -5.347 -6.545 22.679 28 HD3 LYS 3 HD3 LYS 3 -5.396 -6.439 24.439 29 HE2 LYS 3 HE2 LYS 3 -7.501 -5.703 23.482 30 HE3 LYS 3 HE3 LYS 3 -6.677 -4.363 24.276 31 HZ1 LYS 3 HZ1 LYS 3 -7.693 -3.864 22.059 32 HZ2 LYS 3 HZ2 LYS 3 -6.506 -4.851 21.358 33 HZ3 LYS 3 HZ3 LYS 3 -6.054 -3.457 22.207 34 H LEU 4 H LEU 4 -3.514 -6.266 20.417 35 HA LEU 4 HA LEU 4 -0.960 -5.403 19.289 36 HB2 LEU 4 HB2 LEU 4 -2.649 -6.921 18.087 37 HB3 LEU 4 HB3 LEU 4 -3.629 -5.485 17.884 38 HG LEU 4 HG LEU 4 -2.263 -6.130 15.887 39 HD11 LEU 4 HD11 LEU 4 -3.098 -3.861 16.127 40 HD12 LEU 4 HD12 LEU 4 -1.508 -3.870 15.365 41 HD13 LEU 4 HD13 LEU 4 -1.670 -3.421 17.064 42 HD21 LEU 4 HD21 LEU 4 0.128 -5.625 15.898 43 HD22 LEU 4 HD22 LEU 4 -0.270 -6.898 17.053 44 HD23 LEU 4 HD23 LEU 4 0.044 -5.258 17.622 45 H ALA 5 H ALA 5 -4.297 -4.163 19.401 46 HA ALA 5 HA ALA 5 -3.340 -1.436 19.182 47 HB1 ALA 5 HB1 ALA 5 -5.377 -2.036 18.005 48 HB2 ALA 5 HB2 ALA 5 -5.728 -0.835 19.249 49 HB3 ALA 5 HB3 ALA 5 -6.133 -2.531 19.517 50 H PHE 6 H PHE 6 -2.404 -0.667 20.947 51 HA PHE 6 HA PHE 6 -2.955 -1.603 23.559 52 HB2 PHE 6 HB2 PHE 6 -1.438 0.844 22.633 53 HB3 PHE 6 HB3 PHE 6 -1.458 0.244 24.290 54 HD1 PHE 6 HD2 PHE 6 -0.604 -2.098 24.719 55 HD2 PHE 6 HD1 PHE 6 0.072 -0.012 21.073 56 HE1 PHE 6 HE2 PHE 6 1.256 -3.618 24.195 57 HE2 PHE 6 HE1 PHE 6 1.931 -1.530 20.545 58 HZ PHE 6 HZ PHE 6 2.525 -3.335 22.107 59 HA PRO 7 HA PRO 7 -6.457 0.675 24.873 60 HB2 PRO 7 HB2 PRO 7 -4.936 1.143 27.388 61 HB3 PRO 7 HB3 PRO 7 -6.540 0.435 27.156 62 HG2 PRO 7 HG2 PRO 7 -4.456 -1.106 27.744 63 HG3 PRO 7 HG3 PRO 7 -5.682 -1.640 26.579 64 HD2 PRO 7 HD2 PRO 7 -2.937 -0.565 26.082 65 HD3 PRO 7 HD3 PRO 7 -3.807 -1.867 25.245 66 H ARG 8 H ARG 8 -7.196 2.737 25.174 67 HA ARG 8 HA ARG 8 -5.599 4.865 24.263 68 HB2 ARG 8 HB2 ARG 8 -7.583 6.290 25.075 69 HB3 ARG 8 HB3 ARG 8 -7.871 5.101 23.816 70 HG2 ARG 8 HG2 ARG 8 -9.690 4.943 25.290 71 HG3 ARG 8 HG3 ARG 8 -8.676 3.548 25.640 72 HD2 ARG 8 HD2 ARG 8 -9.314 4.400 27.734 73 HD3 ARG 8 HD3 ARG 8 -7.653 4.942 27.496 74 HE ARG 8 HE ARG 8 -9.164 7.006 26.539 75 HH11 ARG 8 HH11 ARG 8 -8.875 5.306 29.595 76 HH12 ARG 8 HH12 ARG 8 -9.553 6.612 30.526 77 HH21 ARG 8 HH21 ARG 8 -10.017 8.732 27.763 78 HH22 ARG 8 HH22 ARG 8 -10.190 8.566 29.488 79 H GLU 9 H GLU 9 -5.425 3.432 27.194 80 HA GLU 9 HA GLU 9 -5.203 5.542 29.028 81 HB2 GLU 9 HB2 GLU 9 -3.706 2.915 28.987 82 HB3 GLU 9 HB3 GLU 9 -3.905 3.967 30.383 83 HG2 GLU 9 HG2 GLU 9 -6.148 2.579 28.927 84 HG3 GLU 9 HG3 GLU 9 -5.403 2.023 30.425 85 H LEU 10 H LEU 10 -3.018 4.283 26.621 86 HA LEU 10 HA LEU 10 -0.702 5.668 27.633 87 HB2 LEU 10 HB2 LEU 10 -1.223 4.172 25.066 88 HB3 LEU 10 HB3 LEU 10 0.295 4.973 25.407 89 HG LEU 10 HG LEU 10 0.478 3.496 27.464 90 HD11 LEU 10 HD11 LEU 10 -0.791 1.414 27.447 91 HD12 LEU 10 HD12 LEU 10 -1.727 1.990 26.068 92 HD13 LEU 10 HD13 LEU 10 -1.854 2.810 27.626 93 HD21 LEU 10 HD21 LEU 10 1.265 1.563 26.159 94 HD22 LEU 10 HD22 LEU 10 1.805 3.101 25.487 95 HD23 LEU 10 HD23 LEU 10 0.471 2.229 24.732 96 H ARG 11 H ARG 11 -3.405 6.721 26.182 97 HA ARG 11 HA ARG 11 -4.073 8.635 25.200 98 HB2 ARG 11 HB2 ARG 11 -2.558 9.625 26.949 99 HB3 ARG 11 HB3 ARG 11 -1.297 9.700 25.725 100 HG2 ARG 11 HG2 ARG 11 -2.700 11.167 24.369 101 HG3 ARG 11 HG3 ARG 11 -3.963 11.093 25.599 102 HD2 ARG 11 HD2 ARG 11 -2.800 13.120 25.952 103 HD3 ARG 11 HD3 ARG 11 -2.280 12.017 27.224 104 HE ARG 11 HE ARG 11 -0.445 11.743 25.182 105 HH11 ARG 11 HH11 ARG 11 -1.565 14.273 27.327 106 HH12 ARG 11 HH12 ARG 11 -0.081 15.177 27.244 107 HH21 ARG 11 HH21 ARG 11 1.522 12.942 25.071 108 HH22 ARG 11 HH22 ARG 11 1.651 14.441 25.950 109 H LEU 12 H LEU 12 -4.269 7.590 23.196 110 HA LEU 12 HA LEU 12 -2.155 8.231 21.259 111 HB2 LEU 12 HB2 LEU 12 -4.388 6.198 21.136 112 HB3 LEU 12 HB3 LEU 12 -3.386 6.610 19.760 113 HG LEU 12 HG LEU 12 -2.522 4.594 20.618 114 HD11 LEU 12 HD11 LEU 12 -0.806 6.836 21.660 115 HD12 LEU 12 HD12 LEU 12 -0.805 6.190 20.019 116 HD13 LEU 12 HD13 LEU 12 -0.272 5.183 21.364 117 HD21 LEU 12 HD21 LEU 12 -3.615 4.621 22.796 118 HD22 LEU 12 HD22 LEU 12 -2.486 5.856 23.354 119 HD23 LEU 12 HD23 LEU 12 -1.899 4.243 22.947 120 H LEU 13 H LEU 13 -2.604 10.273 20.627 121 HA LEU 13 HA LEU 13 -5.357 11.043 20.055 122 HB2 LEU 13 HB2 LEU 13 -3.144 12.403 21.018 123 HB3 LEU 13 HB3 LEU 13 -3.266 12.965 19.362 124 HG LEU 13 HG LEU 13 -4.431 14.454 20.924 125 HD11 LEU 13 HD11 LEU 13 -6.585 14.555 19.763 126 HD12 LEU 13 HD12 LEU 13 -6.274 12.964 19.067 127 HD13 LEU 13 HD13 LEU 13 -5.240 14.331 18.644 128 HD21 LEU 13 HD21 LEU 13 -6.180 12.066 21.477 129 HD22 LEU 13 HD22 LEU 13 -6.468 13.709 22.045 130 HD23 LEU 13 HD23 LEU 13 -5.055 12.816 22.609 131 H THR 14 H THR 14 -6.190 11.371 18.078 132 HA THR 14 HA THR 14 -6.484 11.295 15.837 133 HB THR 14 HB THR 14 -3.492 11.652 15.568 134 HG1 THR 14 HG1 THR 14 -3.821 13.577 16.361 135 HG21 THR 14 HG21 THR 14 -5.791 12.314 13.723 136 HG22 THR 14 HG22 THR 14 -4.596 11.039 13.488 137 HG23 THR 14 HG23 THR 14 -4.102 12.730 13.434 138 HA PRO 15 HA PRO 15 -5.266 6.859 15.793 139 HB2 PRO 15 HB2 PRO 15 -8.066 6.326 15.240 140 HB3 PRO 15 HB3 PRO 15 -7.108 5.847 16.641 141 HG2 PRO 15 HG2 PRO 15 -9.127 7.667 16.763 142 HG3 PRO 15 HG3 PRO 15 -7.729 7.687 17.855 143 HD2 PRO 15 HD2 PRO 15 -8.241 9.335 15.402 144 HD3 PRO 15 HD3 PRO 15 -7.573 9.832 16.972 145 H SER 16 H SER 16 -4.854 8.587 13.618 146 HA SER 16 HA SER 16 -6.234 7.373 11.351 147 HB2 SER 16 HB2 SER 16 -4.237 9.649 11.468 148 HB3 SER 16 HB3 SER 16 -5.077 9.105 10.013 149 HG SER 16 HG SER 16 -5.975 10.945 11.365 150 H GLN 17 H GLN 17 -5.376 5.853 10.104 151 HA GLN 17 HA GLN 17 -3.237 4.309 10.987 152 HB2 GLN 17 HB2 GLN 17 -3.963 4.333 8.083 153 HB3 GLN 17 HB3 GLN 17 -3.551 2.969 9.110 154 HG2 GLN 17 HG2 GLN 17 -5.771 2.602 8.928 155 HG3 GLN 17 HG3 GLN 17 -5.798 3.695 10.315 156 HE21 GLN 17 HE21 GLN 17 -6.391 3.362 6.907 157 HE22 GLN 17 HE22 GLN 17 -7.327 4.817 6.730 158 H PHE 18 H PHE 18 -3.339 6.886 8.615 159 HA PHE 18 HA PHE 18 -0.902 6.494 7.346 160 HB2 PHE 18 HB2 PHE 18 -2.274 9.126 7.912 161 HB3 PHE 18 HB3 PHE 18 -1.047 8.845 6.682 162 HD1 PHE 18 HD1 PHE 18 -1.572 7.284 4.778 163 HD2 PHE 18 HD2 PHE 18 -4.537 8.689 7.490 164 HE1 PHE 18 HE1 PHE 18 -3.328 6.684 3.163 165 HE2 PHE 18 HE2 PHE 18 -6.297 8.088 5.879 166 HZ PHE 18 HZ PHE 18 -5.694 7.082 3.715 167 H THR 19 H THR 19 -1.534 7.784 10.504 168 HA THR 19 HA THR 19 1.125 8.933 10.744 169 HB THR 19 HB THR 19 -1.023 8.657 12.859 170 HG1 THR 19 HG1 THR 19 -0.423 10.790 11.045 171 HG21 THR 19 HG21 THR 19 1.198 9.060 13.784 172 HG22 THR 19 HG22 THR 19 0.199 10.505 13.950 173 HG23 THR 19 HG23 THR 19 1.427 10.421 12.687 174 H PHE 20 H PHE 20 -0.681 6.106 11.818 175 HA PHE 20 HA PHE 20 1.361 5.290 13.679 176 HB2 PHE 20 HB2 PHE 20 -1.194 3.990 12.747 177 HB3 PHE 20 HB3 PHE 20 -0.075 3.199 13.851 178 HD1 PHE 20 HD2 PHE 20 0.330 4.148 16.090 179 HD2 PHE 20 HD1 PHE 20 -2.636 5.728 13.481 180 HE1 PHE 20 HE2 PHE 20 -0.720 5.308 17.991 181 HE2 PHE 20 HE1 PHE 20 -3.689 6.890 15.375 182 HZ PHE 20 HZ PHE 20 -2.735 6.681 17.632 183 H VAL 21 H VAL 21 0.188 4.077 10.524 184 HA VAL 21 HA VAL 21 2.057 1.905 10.527 185 HB VAL 21 HB VAL 21 1.323 1.415 8.282 186 HG11 VAL 21 HG11 VAL 21 -0.171 0.741 10.070 187 HG12 VAL 21 HG12 VAL 21 -1.095 1.195 8.639 188 HG13 VAL 21 HG13 VAL 21 -0.987 2.303 10.005 189 HG21 VAL 21 HG21 VAL 21 -0.245 2.872 7.076 190 HG22 VAL 21 HG22 VAL 21 1.308 3.659 7.353 191 HG23 VAL 21 HG23 VAL 21 -0.084 4.084 8.349 192 H PHE 22 H PHE 22 2.454 5.158 10.056 193 HA PHE 22 HA PHE 22 4.585 4.926 8.095 194 HB2 PHE 22 HB2 PHE 22 3.057 6.889 8.088 195 HB3 PHE 22 HB3 PHE 22 3.676 7.350 9.669 196 HD1 PHE 22 HD1 PHE 22 4.798 6.664 6.188 197 HD2 PHE 22 HD2 PHE 22 5.484 8.796 9.809 198 HE1 PHE 22 HE1 PHE 22 6.586 7.948 5.091 199 HE2 PHE 22 HE2 PHE 22 7.275 10.079 8.714 200 HZ PHE 22 HZ PHE 22 7.825 9.658 6.353 201 H GLN 23 H GLN 23 4.164 4.797 11.479 202 HA GLN 23 HA GLN 23 6.802 5.661 12.204 203 HB2 GLN 23 HB2 GLN 23 4.759 4.070 13.766 204 HB3 GLN 23 HB3 GLN 23 6.247 4.730 14.430 205 HG2 GLN 23 HG2 GLN 23 3.946 6.297 13.292 206 HG3 GLN 23 HG3 GLN 23 4.372 6.140 14.995 207 HE21 GLN 23 HE21 GLN 23 4.156 8.504 13.252 208 HE22 GLN 23 HE22 GLN 23 5.686 9.312 13.365 209 H GLN 24 H GLN 24 5.185 2.488 12.125 210 HA GLN 24 HA GLN 24 7.815 1.312 11.526 211 HB2 GLN 24 HB2 GLN 24 5.513 0.039 13.023 212 HB3 GLN 24 HB3 GLN 24 6.938 -0.831 12.474 213 HG2 GLN 24 HG2 GLN 24 7.412 -0.407 14.690 214 HG3 GLN 24 HG3 GLN 24 8.257 0.892 13.855 215 HE21 GLN 24 HE21 GLN 24 8.251 2.250 15.613 216 HE22 GLN 24 HE22 GLN 24 6.813 3.002 16.220 217 HA PRO 25 HA PRO 25 5.118 0.374 7.962 218 HB2 PRO 25 HB2 PRO 25 6.473 1.712 6.074 219 HB3 PRO 25 HB3 PRO 25 5.379 2.537 7.189 220 HG2 PRO 25 HG2 PRO 25 8.328 2.540 7.098 221 HG3 PRO 25 HG3 PRO 25 7.222 3.745 7.775 222 HD2 PRO 25 HD2 PRO 25 8.665 1.683 9.161 223 HD3 PRO 25 HD3 PRO 25 7.562 2.892 9.844 224 H GLN 26 H GLN 26 5.345 -1.390 6.715 225 HA GLN 26 HA GLN 26 8.047 -2.364 6.121 226 HB2 GLN 26 HB2 GLN 26 5.363 -3.742 6.103 227 HB3 GLN 26 HB3 GLN 26 6.813 -4.468 5.422 228 HG2 GLN 26 HG2 GLN 26 7.896 -4.380 7.594 229 HG3 GLN 26 HG3 GLN 26 6.467 -3.613 8.285 230 HE21 GLN 26 HE21 GLN 26 7.804 -6.151 8.927 231 HE22 GLN 26 HE22 GLN 26 6.576 -7.367 8.781 232 H ARG 27 H ARG 27 8.734 -2.629 4.049 233 HA ARG 27 HA ARG 27 7.217 -1.188 2.028 234 HB2 ARG 27 HB2 ARG 27 9.745 -0.967 2.493 235 HB3 ARG 27 HB3 ARG 27 9.907 -2.506 1.666 236 HG2 ARG 27 HG2 ARG 27 8.608 -0.111 0.400 237 HG3 ARG 27 HG3 ARG 27 10.339 -0.426 0.304 238 HD2 ARG 27 HD2 ARG 27 8.147 -2.255 -0.669 239 HD3 ARG 27 HD3 ARG 27 9.170 -1.234 -1.680 240 HE ARG 27 HE ARG 27 10.865 -2.844 -0.168 241 HH11 ARG 27 HH11 ARG 27 8.396 -3.262 -2.605 242 HH12 ARG 27 HH12 ARG 27 9.113 -4.696 -3.270 243 HH21 ARG 27 HH21 ARG 27 11.795 -4.748 -1.021 244 HH22 ARG 27 HH22 ARG 27 11.049 -5.527 -2.388 245 H ALA 28 H ALA 28 5.583 -2.421 1.273 246 HA ALA 28 HA ALA 28 6.168 -5.206 0.546 247 HB1 ALA 28 HB1 ALA 28 3.759 -5.549 0.551 248 HB2 ALA 28 HB2 ALA 28 3.503 -3.836 0.887 249 HB3 ALA 28 HB3 ALA 28 4.298 -4.862 2.082 250 H GLY 29 H GLY 29 5.841 -5.985 -1.497 251 HA2 GLY 29 HA2 GLY 29 4.938 -6.017 -3.656 252 HA3 GLY 29 HA3 GLY 29 4.468 -4.335 -3.466 253 H THR 30 H THR 30 5.743 -2.772 -4.273 254 HA THR 30 HA THR 30 8.305 -3.609 -5.461 255 HB THR 30 HB THR 30 7.718 -2.028 -7.377 256 HG1 THR 30 HG1 THR 30 5.600 -1.574 -5.899 257 HG21 THR 30 HG21 THR 30 6.466 -3.741 -8.587 258 HG22 THR 30 HG22 THR 30 6.079 -4.545 -7.066 259 HG23 THR 30 HG23 THR 30 7.751 -4.466 -7.622 260 HA PRO 31 HA PRO 31 9.760 0.300 -3.892 261 HB2 PRO 31 HB2 PRO 31 11.945 0.707 -5.370 262 HB3 PRO 31 HB3 PRO 31 11.824 -0.676 -4.275 263 HG2 PRO 31 HG2 PRO 31 11.508 -0.576 -7.242 264 HG3 PRO 31 HG3 PRO 31 12.283 -1.812 -6.237 265 HD2 PRO 31 HD2 PRO 31 9.700 -1.951 -7.269 266 HD3 PRO 31 HD3 PRO 31 10.324 -2.922 -5.922 267 H GLN 32 H GLN 32 8.567 0.102 -7.089 268 HA GLN 32 HA GLN 32 8.971 2.930 -7.646 269 HB2 GLN 32 HB2 GLN 32 7.697 2.370 -9.774 270 HB3 GLN 32 HB3 GLN 32 9.264 1.607 -9.565 271 HG2 GLN 32 HG2 GLN 32 8.075 -0.426 -8.736 272 HG3 GLN 32 HG3 GLN 32 6.559 0.351 -9.184 273 HE21 GLN 32 HE21 GLN 32 9.539 0.663 -11.016 274 HE22 GLN 32 HE22 GLN 32 8.994 -0.228 -12.393 275 H ILE 33 H ILE 33 6.380 0.688 -6.880 276 HA ILE 33 HA ILE 33 4.890 2.998 -5.872 277 HB ILE 33 HB ILE 33 3.605 2.314 -7.754 278 HG12 ILE 33 HG12 ILE 33 2.349 1.077 -5.294 279 HG13 ILE 33 HG13 ILE 33 2.319 2.788 -5.703 280 HG21 ILE 33 HG21 ILE 33 3.793 -0.515 -6.743 281 HG22 ILE 33 HG22 ILE 33 4.567 0.149 -8.182 282 HG23 ILE 33 HG23 ILE 33 2.810 0.020 -8.107 283 HD11 ILE 33 HD11 ILE 33 1.074 0.569 -7.306 284 HD12 ILE 33 HD12 ILE 33 1.043 2.283 -7.719 285 HD13 ILE 33 HD13 ILE 33 0.223 1.710 -6.266 286 H THR 34 H THR 34 4.965 2.908 -3.748 287 HA THR 34 HA THR 34 5.767 0.382 -2.526 288 HB THR 34 HB THR 34 5.778 3.111 -1.244 289 HG1 THR 34 HG1 THR 34 7.549 3.580 -2.320 290 HG21 THR 34 HG21 THR 34 7.387 0.610 -0.718 291 HG22 THR 34 HG22 THR 34 6.047 1.200 0.264 292 HG23 THR 34 HG23 THR 34 7.537 2.137 0.151 293 H ILE 35 H ILE 35 4.354 -0.785 -1.409 294 HA ILE 35 HA ILE 35 2.012 0.526 -0.237 295 HB ILE 35 HB ILE 35 2.629 -2.411 -0.629 296 HG12 ILE 35 HG12 ILE 35 0.456 -2.226 -2.006 297 HG13 ILE 35 HG13 ILE 35 0.730 -0.490 -1.970 298 HG21 ILE 35 HG21 ILE 35 0.385 -2.855 0.244 299 HG22 ILE 35 HG22 ILE 35 0.197 -1.143 0.622 300 HG23 ILE 35 HG23 ILE 35 1.422 -2.101 1.456 301 HD11 ILE 35 HD11 ILE 35 1.543 -1.483 -4.029 302 HD12 ILE 35 HD12 ILE 35 2.612 -2.544 -3.111 303 HD13 ILE 35 HD13 ILE 35 2.870 -0.799 -3.092 304 H LEU 36 H LEU 36 2.108 1.096 1.834 305 HA LEU 36 HA LEU 36 4.126 -0.201 3.544 306 HB2 LEU 36 HB2 LEU 36 2.782 2.490 3.821 307 HB3 LEU 36 HB3 LEU 36 3.864 1.806 5.013 308 HG LEU 36 HG LEU 36 5.139 3.378 3.829 309 HD11 LEU 36 HD11 LEU 36 6.849 2.063 2.693 310 HD12 LEU 36 HD12 LEU 36 5.753 0.681 2.644 311 HD13 LEU 36 HD13 LEU 36 6.321 1.302 4.194 312 HD21 LEU 36 HD21 LEU 36 5.298 3.466 1.392 313 HD22 LEU 36 HD22 LEU 36 3.646 3.720 1.950 314 HD23 LEU 36 HD23 LEU 36 4.115 2.163 1.268 315 H GLY 37 H GLY 37 3.521 -1.268 5.347 316 HA2 GLY 37 HA2 GLY 37 1.316 -0.713 6.941 317 HA3 GLY 37 HA3 GLY 37 0.809 -1.937 5.786 318 H ARG 38 H ARG 38 0.537 -2.930 8.046 319 HA ARG 38 HA ARG 38 2.419 -5.024 8.267 320 HB2 ARG 38 HB2 ARG 38 3.832 -3.516 9.464 321 HB3 ARG 38 HB3 ARG 38 2.484 -2.890 10.402 322 HG2 ARG 38 HG2 ARG 38 3.663 -4.251 11.885 323 HG3 ARG 38 HG3 ARG 38 2.289 -5.231 11.388 324 HD2 ARG 38 HD2 ARG 38 5.074 -5.431 10.252 325 HD3 ARG 38 HD3 ARG 38 4.399 -6.500 11.477 326 HE ARG 38 HE ARG 38 3.558 -6.356 8.657 327 HH11 ARG 38 HH11 ARG 38 3.558 -7.983 11.753 328 HH12 ARG 38 HH12 ARG 38 3.011 -9.497 11.104 329 HH21 ARG 38 HH21 ARG 38 2.800 -8.350 7.800 330 HH22 ARG 38 HH22 ARG 38 2.565 -9.704 8.859 331 H LEU 39 H LEU 39 0.418 -3.317 10.678 332 HA LEU 39 HA LEU 39 -1.636 -5.344 10.558 333 HB2 LEU 39 HB2 LEU 39 0.419 -6.033 12.115 334 HB3 LEU 39 HB3 LEU 39 -0.399 -4.983 13.251 335 HG LEU 39 HG LEU 39 -1.007 -7.292 13.642 336 HD11 LEU 39 HD11 LEU 39 -3.284 -5.724 12.440 337 HD12 LEU 39 HD12 LEU 39 -2.719 -5.646 14.110 338 HD13 LEU 39 HD13 LEU 39 -3.452 -7.127 13.497 339 HD21 LEU 39 HD21 LEU 39 -1.977 -7.285 10.790 340 HD22 LEU 39 HD22 LEU 39 -2.260 -8.574 11.960 341 HD23 LEU 39 HD23 LEU 39 -0.616 -8.200 11.440 342 H ASN 40 H ASN 40 -3.327 -3.999 10.459 343 HA ASN 40 HA ASN 40 -3.690 -2.111 12.662 344 HB2 ASN 40 HB2 ASN 40 -2.863 -0.795 10.726 345 HB3 ASN 40 HB3 ASN 40 -4.223 -1.384 9.771 346 HD21 ASN 40 HD21 ASN 40 -5.301 0.511 9.454 347 HD22 ASN 40 HD22 ASN 40 -5.957 1.458 10.753 348 H SER 41 H SER 41 -5.484 -2.736 13.643 349 HA SER 41 HA SER 41 -7.430 -4.354 12.282 350 HB2 SER 41 HB2 SER 41 -8.555 -4.255 14.586 351 HB3 SER 41 HB3 SER 41 -6.968 -5.023 14.499 352 HG SER 41 HG SER 41 -7.486 -2.339 15.283 353 H LEU 42 H LEU 42 -7.774 -2.440 10.759 354 HA LEU 42 HA LEU 42 -9.471 -0.325 11.723 355 HB2 LEU 42 HB2 LEU 42 -7.930 -0.046 9.792 356 HB3 LEU 42 HB3 LEU 42 -8.902 -1.187 8.882 357 HG LEU 42 HG LEU 42 -10.841 0.372 9.099 358 HD11 LEU 42 HD11 LEU 42 -10.425 2.672 9.781 359 HD12 LEU 42 HD12 LEU 42 -8.761 2.262 10.190 360 HD13 LEU 42 HD13 LEU 42 -10.092 1.555 11.104 361 HD21 LEU 42 HD21 LEU 42 -8.391 1.555 7.801 362 HD22 LEU 42 HD22 LEU 42 -10.072 1.916 7.403 363 HD23 LEU 42 HD23 LEU 42 -9.418 0.307 7.095 364 H GLY 43 H GLY 43 -9.854 -3.451 10.215 365 HA2 GLY 43 HA2 GLY 43 -11.780 -4.788 10.418 366 HA3 GLY 43 HA3 GLY 43 -12.712 -3.351 10.816 367 H HIS 44 H HIS 44 -11.204 -2.133 8.396 368 HA HIS 44 HA HIS 44 -12.934 -3.303 6.324 369 HB2 HIS 44 HB2 HIS 44 -12.339 -0.352 6.669 370 HB3 HIS 44 HB3 HIS 44 -13.361 -1.070 5.431 371 HD1 HIS 44 HD1 HIS 44 -13.818 0.886 8.203 372 HD2 HIS 44 HD2 HIS 44 -15.437 -2.787 7.110 373 HE1 HIS 44 HE1 HIS 44 -15.934 0.651 9.541 374 HE2 HIS 44 HE2 HIS 44 -16.746 -1.683 9.047 375 HA PRO 45 HA PRO 45 -8.869 -3.620 4.374 376 HB2 PRO 45 HB2 PRO 45 -10.544 -4.639 2.158 377 HB3 PRO 45 HB3 PRO 45 -9.161 -5.395 2.956 378 HG2 PRO 45 HG2 PRO 45 -11.653 -6.281 3.360 379 HG3 PRO 45 HG3 PRO 45 -10.452 -6.261 4.666 380 HD2 PRO 45 HD2 PRO 45 -12.720 -4.378 4.143 381 HD3 PRO 45 HD3 PRO 45 -12.130 -5.028 5.686 382 H ARG 46 H ARG 46 -8.223 -1.606 3.783 383 HA ARG 46 HA ARG 46 -9.697 -0.312 1.596 384 HB2 ARG 46 HB2 ARG 46 -10.026 0.536 4.100 385 HB3 ARG 46 HB3 ARG 46 -8.535 1.395 3.741 386 HG2 ARG 46 HG2 ARG 46 -10.188 2.925 3.192 387 HG3 ARG 46 HG3 ARG 46 -9.753 2.220 1.636 388 HD2 ARG 46 HD2 ARG 46 -12.152 1.540 3.336 389 HD3 ARG 46 HD3 ARG 46 -12.154 2.392 1.794 390 HE ARG 46 HE ARG 46 -11.278 -0.423 2.021 391 HH11 ARG 46 HH11 ARG 46 -13.279 2.047 0.546 392 HH12 ARG 46 HH12 ARG 46 -13.883 0.994 -0.696 393 HH21 ARG 46 HH21 ARG 46 -12.091 -1.817 0.411 394 HH22 ARG 46 HH22 ARG 46 -13.213 -1.205 -0.767 395 H ILE 47 H ILE 47 -8.499 0.862 0.165 396 HA ILE 47 HA ILE 47 -5.599 0.571 0.374 397 HB ILE 47 HB ILE 47 -6.434 -0.251 -1.699 398 HG12 ILE 47 HG12 ILE 47 -5.214 2.487 -2.113 399 HG13 ILE 47 HG13 ILE 47 -4.340 0.979 -1.868 400 HG21 ILE 47 HG21 ILE 47 -7.766 1.065 -3.259 401 HG22 ILE 47 HG22 ILE 47 -7.811 2.396 -2.104 402 HG23 ILE 47 HG23 ILE 47 -8.597 0.866 -1.714 403 HD11 ILE 47 HD11 ILE 47 -5.187 0.131 -3.983 404 HD12 ILE 47 HD12 ILE 47 -4.335 1.659 -4.201 405 HD13 ILE 47 HD13 ILE 47 -6.099 1.622 -4.223 406 H GLY 48 H GLY 48 -4.608 2.192 1.346 407 HA2 GLY 48 HA2 GLY 48 -5.735 4.879 1.253 408 HA3 GLY 48 HA3 GLY 48 -4.372 4.348 2.231 409 H LEU 49 H LEU 49 -5.229 4.632 -1.207 410 HA LEU 49 HA LEU 49 -2.582 4.943 -2.115 411 HB2 LEU 49 HB2 LEU 49 -4.413 4.286 -3.592 412 HB3 LEU 49 HB3 LEU 49 -5.172 5.850 -3.373 413 HG LEU 49 HG LEU 49 -3.235 6.926 -4.484 414 HD11 LEU 49 HD11 LEU 49 -2.340 4.092 -4.985 415 HD12 LEU 49 HD12 LEU 49 -1.540 5.267 -3.942 416 HD13 LEU 49 HD13 LEU 49 -1.622 5.544 -5.681 417 HD21 LEU 49 HD21 LEU 49 -4.601 4.745 -6.058 418 HD22 LEU 49 HD22 LEU 49 -3.755 6.126 -6.753 419 HD23 LEU 49 HD23 LEU 49 -5.205 6.379 -5.782 420 H THR 50 H THR 50 -1.253 6.538 -1.702 421 HA THR 50 HA THR 50 -2.344 9.253 -1.370 422 HB THR 50 HB THR 50 0.166 8.148 -0.085 423 HG1 THR 50 HG1 THR 50 -1.871 7.251 0.711 424 HG21 THR 50 HG21 THR 50 0.032 10.186 1.290 425 HG22 THR 50 HG22 THR 50 -1.363 10.717 0.349 426 HG23 THR 50 HG23 THR 50 0.216 10.565 -0.423 427 H VAL 51 H VAL 51 -1.915 10.376 -3.148 428 HA VAL 51 HA VAL 51 0.668 9.915 -4.494 429 HB VAL 51 HB VAL 51 -1.271 9.180 -5.845 430 HG11 VAL 51 HG11 VAL 51 -2.085 12.079 -5.780 431 HG12 VAL 51 HG12 VAL 51 -2.947 10.727 -5.044 432 HG13 VAL 51 HG13 VAL 51 -2.802 10.832 -6.799 433 HG21 VAL 51 HG21 VAL 51 -0.664 10.367 -7.909 434 HG22 VAL 51 HG22 VAL 51 0.751 9.896 -6.967 435 HG23 VAL 51 HG23 VAL 51 0.199 11.571 -6.951 436 H ALA 52 H ALA 52 1.870 11.678 -5.104 437 HA ALA 52 HA ALA 52 1.015 14.234 -3.931 438 HB1 ALA 52 HB1 ALA 52 3.397 14.778 -3.812 439 HB2 ALA 52 HB2 ALA 52 3.789 13.224 -4.551 440 HB3 ALA 52 HB3 ALA 52 3.034 13.278 -2.957 441 H LYS 53 H LYS 53 2.023 16.180 -5.073 442 HA LYS 53 HA LYS 53 1.281 15.972 -7.879 443 HB2 LYS 53 HB2 LYS 53 2.004 18.376 -6.187 444 HB3 LYS 53 HB3 LYS 53 1.573 18.461 -7.888 445 HG2 LYS 53 HG2 LYS 53 -0.410 19.000 -6.854 446 HG3 LYS 53 HG3 LYS 53 -0.606 17.272 -7.140 447 HD2 LYS 53 HD2 LYS 53 -1.341 17.795 -4.904 448 HD3 LYS 53 HD3 LYS 53 0.144 16.843 -4.819 449 HE2 LYS 53 HE2 LYS 53 1.431 18.905 -4.486 450 HE3 LYS 53 HE3 LYS 53 -0.060 19.842 -4.544 451 HZ1 LYS 53 HZ1 LYS 53 -0.829 18.742 -2.565 452 HZ2 LYS 53 HZ2 LYS 53 0.710 19.392 -2.273 453 HZ3 LYS 53 HZ3 LYS 53 0.534 17.730 -2.538 454 H LYS 54 H LYS 54 4.019 15.471 -6.175 455 HA LYS 54 HA LYS 54 5.793 16.683 -8.147 456 HB2 LYS 54 HB2 LYS 54 7.633 15.955 -6.656 457 HB3 LYS 54 HB3 LYS 54 6.480 17.023 -5.868 458 HG2 LYS 54 HG2 LYS 54 5.622 15.324 -4.539 459 HG3 LYS 54 HG3 LYS 54 6.223 14.053 -5.607 460 HD2 LYS 54 HD2 LYS 54 7.527 14.174 -3.536 461 HD3 LYS 54 HD3 LYS 54 8.517 14.560 -4.943 462 HE2 LYS 54 HE2 LYS 54 9.110 16.149 -3.325 463 HE3 LYS 54 HE3 LYS 54 8.022 16.998 -4.420 464 HZ1 LYS 54 HZ1 LYS 54 7.391 17.558 -2.232 465 HZ2 LYS 54 HZ2 LYS 54 7.412 15.943 -1.719 466 HZ3 LYS 54 HZ3 LYS 54 6.213 16.473 -2.786 467 H ASN 55 H ASN 55 4.565 13.558 -7.188 468 HA ASN 55 HA ASN 55 6.625 12.197 -8.748 469 HB2 ASN 55 HB2 ASN 55 5.988 10.185 -7.692 470 HB3 ASN 55 HB3 ASN 55 5.917 11.410 -6.434 471 HD21 ASN 55 HD21 ASN 55 4.181 9.102 -8.263 472 HD22 ASN 55 HD22 ASN 55 2.652 9.306 -7.485 473 H VAL 56 H VAL 56 3.261 13.033 -8.903 474 HA VAL 56 HA VAL 56 3.201 11.872 -11.610 475 HB VAL 56 HB VAL 56 0.863 12.257 -9.725 476 HG11 VAL 56 HG11 VAL 56 -0.524 11.336 -11.507 477 HG12 VAL 56 HG12 VAL 56 0.877 11.272 -12.577 478 HG13 VAL 56 HG13 VAL 56 0.257 12.829 -12.027 479 HG21 VAL 56 HG21 VAL 56 2.176 10.268 -9.232 480 HG22 VAL 56 HG22 VAL 56 2.076 9.766 -10.919 481 HG23 VAL 56 HG23 VAL 56 0.618 9.822 -9.927 482 H ARG 57 H ARG 57 3.559 13.497 -12.964 483 HA ARG 57 HA ARG 57 2.766 16.197 -12.221 484 HB2 ARG 57 HB2 ARG 57 4.542 15.144 -14.420 485 HB3 ARG 57 HB3 ARG 57 4.163 16.848 -14.203 486 HG2 ARG 57 HG2 ARG 57 5.496 15.126 -12.123 487 HG3 ARG 57 HG3 ARG 57 6.353 16.170 -13.260 488 HD2 ARG 57 HD2 ARG 57 5.198 18.119 -12.350 489 HD3 ARG 57 HD3 ARG 57 4.305 17.079 -11.239 490 HE ARG 57 HE ARG 57 6.783 16.481 -10.548 491 HH11 ARG 57 HH11 ARG 57 5.385 19.625 -11.219 492 HH12 ARG 57 HH12 ARG 57 6.435 20.464 -10.113 493 HH21 ARG 57 HH21 ARG 57 8.167 17.603 -9.101 494 HH22 ARG 57 HH22 ARG 57 7.992 19.316 -8.912 495 H ARG 58 H ARG 58 1.949 13.716 -14.538 496 HA ARG 58 HA ARG 58 0.314 15.615 -16.044 497 HB2 ARG 58 HB2 ARG 58 1.500 12.971 -16.668 498 HB3 ARG 58 HB3 ARG 58 -0.053 13.330 -17.408 499 HG2 ARG 58 HG2 ARG 58 1.738 13.941 -18.898 500 HG3 ARG 58 HG3 ARG 58 0.887 15.389 -18.358 501 HD2 ARG 58 HD2 ARG 58 2.835 15.199 -16.481 502 HD3 ARG 58 HD3 ARG 58 3.660 14.524 -17.886 503 HE ARG 58 HE ARG 58 2.326 17.148 -18.012 504 HH11 ARG 58 HH11 ARG 58 5.197 15.156 -18.419 505 HH12 ARG 58 HH12 ARG 58 6.125 16.446 -19.131 506 HH21 ARG 58 HH21 ARG 58 3.537 18.814 -18.935 507 HH22 ARG 58 HH22 ARG 58 5.178 18.532 -19.437 508 H ALA 59 H ALA 59 -1.847 15.532 -16.179 509 HA ALA 59 HA ALA 59 -3.180 14.599 -13.869 510 HB1 ALA 59 HB1 ALA 59 -5.188 15.525 -14.889 511 HB2 ALA 59 HB2 ALA 59 -4.348 15.671 -16.432 512 HB3 ALA 59 HB3 ALA 59 -3.827 16.636 -15.051 513 H HIS 60 H HIS 60 -3.269 13.492 -17.254 514 HA HIS 60 HA HIS 60 -5.333 11.579 -16.762 515 HB2 HIS 60 HB2 HIS 60 -3.418 11.926 -19.067 516 HB3 HIS 60 HB3 HIS 60 -4.635 10.657 -19.021 517 HD1 HIS 60 HD1 HIS 60 -7.173 11.869 -18.370 518 HD2 HIS 60 HD2 HIS 60 -4.314 14.010 -20.498 519 HE1 HIS 60 HE1 HIS 60 -8.440 13.674 -19.573 520 HE2 HIS 60 HE2 HIS 60 -6.711 14.844 -20.995 521 H GLU 61 H GLU 61 -1.925 11.553 -16.344 522 HA GLU 61 HA GLU 61 -1.621 8.720 -16.390 523 HB2 GLU 61 HB2 GLU 61 0.108 10.792 -15.032 524 HB3 GLU 61 HB3 GLU 61 0.547 9.118 -15.353 525 HG2 GLU 61 HG2 GLU 61 0.124 11.331 -17.327 526 HG3 GLU 61 HG3 GLU 61 1.594 10.415 -17.007 527 H ARG 62 H ARG 62 -2.414 11.123 -13.972 528 HA ARG 62 HA ARG 62 -2.298 9.413 -11.715 529 HB2 ARG 62 HB2 ARG 62 -2.350 11.901 -11.588 530 HB3 ARG 62 HB3 ARG 62 -4.027 11.866 -12.116 531 HG2 ARG 62 HG2 ARG 62 -4.712 10.766 -10.114 532 HG3 ARG 62 HG3 ARG 62 -3.037 10.511 -9.617 533 HD2 ARG 62 HD2 ARG 62 -4.010 12.353 -8.378 534 HD3 ARG 62 HD3 ARG 62 -2.734 12.938 -9.442 535 HE ARG 62 HE ARG 62 -5.156 13.170 -10.820 536 HH11 ARG 62 HH11 ARG 62 -3.622 14.524 -7.973 537 HH12 ARG 62 HH12 ARG 62 -4.451 16.047 -8.091 538 HH21 ARG 62 HH21 ARG 62 -6.227 15.206 -10.987 539 HH22 ARG 62 HH22 ARG 62 -5.921 16.424 -9.782 540 H ASN 63 H ASN 63 -4.688 10.025 -14.182 541 HA ASN 63 HA ASN 63 -6.879 8.652 -13.066 542 HB2 ASN 63 HB2 ASN 63 -6.017 8.933 -15.959 543 HB3 ASN 63 HB3 ASN 63 -7.551 8.237 -15.461 544 HD21 ASN 63 HD21 ASN 63 -8.008 10.108 -13.305 545 HD22 ASN 63 HD22 ASN 63 -8.418 11.616 -14.058 546 H ARG 64 H ARG 64 -4.219 7.568 -15.137 547 HA ARG 64 HA ARG 64 -5.001 4.869 -15.297 548 HB2 ARG 64 HB2 ARG 64 -3.469 5.815 -16.913 549 HB3 ARG 64 HB3 ARG 64 -2.294 6.167 -15.655 550 HG2 ARG 64 HG2 ARG 64 -1.768 3.893 -15.360 551 HG3 ARG 64 HG3 ARG 64 -3.180 3.366 -16.276 552 HD2 ARG 64 HD2 ARG 64 -1.103 3.123 -17.557 553 HD3 ARG 64 HD3 ARG 64 -2.221 4.253 -18.317 554 HE ARG 64 HE ARG 64 -0.788 6.043 -17.278 555 HH11 ARG 64 HH11 ARG 64 0.493 2.874 -18.005 556 HH12 ARG 64 HH12 ARG 64 2.118 3.445 -18.255 557 HH21 ARG 64 HH21 ARG 64 1.314 6.828 -17.664 558 HH22 ARG 64 HH22 ARG 64 2.578 5.706 -18.085 559 H ILE 65 H ILE 65 -2.836 6.563 -13.063 560 HA ILE 65 HA ILE 65 -1.844 4.313 -11.717 561 HB ILE 65 HB ILE 65 -2.322 7.085 -10.615 562 HG12 ILE 65 HG12 ILE 65 -0.848 7.140 -12.535 563 HG13 ILE 65 HG13 ILE 65 0.102 7.392 -11.076 564 HG21 ILE 65 HG21 ILE 65 -0.600 4.849 -9.547 565 HG22 ILE 65 HG22 ILE 65 -2.061 5.500 -8.801 566 HG23 ILE 65 HG23 ILE 65 -0.618 6.504 -8.937 567 HD11 ILE 65 HD11 ILE 65 0.854 5.078 -11.154 568 HD12 ILE 65 HD12 ILE 65 1.233 5.924 -12.656 569 HD13 ILE 65 HD13 ILE 65 -0.128 4.804 -12.595 570 H LYS 66 H LYS 66 -4.756 6.250 -11.108 571 HA LYS 66 HA LYS 66 -5.463 4.781 -8.759 572 HB2 LYS 66 HB2 LYS 66 -7.016 6.716 -10.471 573 HB3 LYS 66 HB3 LYS 66 -7.676 5.971 -9.021 574 HG2 LYS 66 HG2 LYS 66 -5.852 6.965 -7.707 575 HG3 LYS 66 HG3 LYS 66 -5.251 7.751 -9.167 576 HD2 LYS 66 HD2 LYS 66 -6.570 9.304 -7.841 577 HD3 LYS 66 HD3 LYS 66 -7.372 8.966 -9.375 578 HE2 LYS 66 HE2 LYS 66 -8.883 7.420 -8.283 579 HE3 LYS 66 HE3 LYS 66 -8.035 7.636 -6.751 580 HZ1 LYS 66 HZ1 LYS 66 -8.771 9.855 -6.599 581 HZ2 LYS 66 HZ2 LYS 66 -10.140 8.943 -7.021 582 HZ3 LYS 66 HZ3 LYS 66 -9.340 9.868 -8.196 583 H ARG 67 H ARG 67 -5.880 4.239 -12.113 584 HA ARG 67 HA ARG 67 -8.122 2.455 -11.808 585 HB2 ARG 67 HB2 ARG 67 -6.276 3.053 -14.116 586 HB3 ARG 67 HB3 ARG 67 -7.543 1.836 -14.205 587 HG2 ARG 67 HG2 ARG 67 -9.211 3.579 -13.709 588 HG3 ARG 67 HG3 ARG 67 -7.922 4.784 -13.716 589 HD2 ARG 67 HD2 ARG 67 -9.159 4.667 -15.858 590 HD3 ARG 67 HD3 ARG 67 -7.440 4.321 -16.030 591 HE ARG 67 HE ARG 67 -8.006 1.969 -16.208 592 HH11 ARG 67 HH11 ARG 67 -10.659 4.251 -16.580 593 HH12 ARG 67 HH12 ARG 67 -11.669 3.100 -17.417 594 HH21 ARG 67 HH21 ARG 67 -9.321 0.503 -17.315 595 HH22 ARG 67 HH22 ARG 67 -10.897 0.991 -17.870 596 H LEU 68 H LEU 68 -4.631 2.199 -12.051 597 HA LEU 68 HA LEU 68 -4.574 -0.646 -12.284 598 HB2 LEU 68 HB2 LEU 68 -2.771 0.986 -12.996 599 HB3 LEU 68 HB3 LEU 68 -2.374 1.176 -11.303 600 HG LEU 68 HG LEU 68 -0.905 -0.386 -12.675 601 HD11 LEU 68 HD11 LEU 68 -0.856 -0.356 -10.236 602 HD12 LEU 68 HD12 LEU 68 -0.642 -1.991 -10.864 603 HD13 LEU 68 HD13 LEU 68 -2.197 -1.500 -10.190 604 HD21 LEU 68 HD21 LEU 68 -2.689 -1.518 -13.895 605 HD22 LEU 68 HD22 LEU 68 -3.297 -2.197 -12.385 606 HD23 LEU 68 HD23 LEU 68 -1.705 -2.664 -12.982 607 H THR 69 H THR 69 -4.196 1.645 -9.617 608 HA THR 69 HA THR 69 -3.536 -0.250 -7.635 609 HB THR 69 HB THR 69 -4.344 1.608 -6.057 610 HG1 THR 69 HG1 THR 69 -4.235 3.320 -8.273 611 HG21 THR 69 HG21 THR 69 -2.236 2.236 -8.125 612 HG22 THR 69 HG22 THR 69 -1.996 1.280 -6.662 613 HG23 THR 69 HG23 THR 69 -2.385 2.996 -6.542 614 H ARG 70 H ARG 70 -6.639 1.310 -8.444 615 HA ARG 70 HA ARG 70 -8.034 -0.283 -6.490 616 HB2 ARG 70 HB2 ARG 70 -8.638 2.082 -7.054 617 HB3 ARG 70 HB3 ARG 70 -9.203 1.516 -8.619 618 HG2 ARG 70 HG2 ARG 70 -10.958 0.265 -7.631 619 HG3 ARG 70 HG3 ARG 70 -10.290 0.483 -6.013 620 HD2 ARG 70 HD2 ARG 70 -12.224 1.936 -6.416 621 HD3 ARG 70 HD3 ARG 70 -10.753 2.858 -6.108 622 HE ARG 70 HE ARG 70 -10.878 2.661 -8.830 623 HH11 ARG 70 HH11 ARG 70 -13.058 3.786 -6.348 624 HH12 ARG 70 HH12 ARG 70 -13.798 5.002 -7.349 625 HH21 ARG 70 HH21 ARG 70 -11.841 4.275 -10.172 626 HH22 ARG 70 HH22 ARG 70 -13.090 5.295 -9.523 627 H GLU 71 H GLU 71 -6.712 -1.228 -9.216 628 HA GLU 71 HA GLU 71 -8.917 -2.992 -10.005 629 HB2 GLU 71 HB2 GLU 71 -7.622 -1.943 -11.820 630 HB3 GLU 71 HB3 GLU 71 -6.148 -2.662 -11.188 631 HG2 GLU 71 HG2 GLU 71 -7.074 -4.892 -11.613 632 HG3 GLU 71 HG3 GLU 71 -8.518 -4.146 -12.298 633 H SER 72 H SER 72 -5.516 -3.118 -9.002 634 HA SER 72 HA SER 72 -5.473 -5.916 -8.592 635 HB2 SER 72 HB2 SER 72 -3.352 -5.294 -7.255 636 HB3 SER 72 HB3 SER 72 -3.383 -4.922 -8.978 637 HG SER 72 HG SER 72 -3.345 -2.857 -8.534 638 H PHE 73 H PHE 73 -5.855 -3.162 -6.368 639 HA PHE 73 HA PHE 73 -6.129 -4.884 -4.078 640 HB2 PHE 73 HB2 PHE 73 -6.438 -1.913 -4.468 641 HB3 PHE 73 HB3 PHE 73 -6.760 -2.700 -2.927 642 HD1 PHE 73 HD1 PHE 73 -4.962 -3.669 -1.626 643 HD2 PHE 73 HD2 PHE 73 -4.188 -1.690 -5.312 644 HE1 PHE 73 HE1 PHE 73 -2.572 -3.550 -1.056 645 HE2 PHE 73 HE2 PHE 73 -1.796 -1.568 -4.749 646 HZ PHE 73 HZ PHE 73 -0.988 -2.501 -2.617 647 H ARG 74 H ARG 74 -8.174 -4.426 -6.536 648 HA ARG 74 HA ARG 74 -10.551 -4.563 -4.806 649 HB2 ARG 74 HB2 ARG 74 -10.696 -2.782 -6.462 650 HB3 ARG 74 HB3 ARG 74 -10.363 -3.923 -7.758 651 HG2 ARG 74 HG2 ARG 74 -12.467 -5.104 -7.200 652 HG3 ARG 74 HG3 ARG 74 -12.807 -3.858 -5.996 653 HD2 ARG 74 HD2 ARG 74 -12.869 -2.162 -7.708 654 HD3 ARG 74 HD3 ARG 74 -12.369 -3.327 -8.932 655 HE ARG 74 HE ARG 74 -14.904 -3.723 -7.488 656 HH11 ARG 74 HH11 ARG 74 -13.167 -3.100 -10.465 657 HH12 ARG 74 HH12 ARG 74 -14.542 -3.381 -11.490 658 HH21 ARG 74 HH21 ARG 74 -16.740 -4.063 -8.832 659 HH22 ARG 74 HH22 ARG 74 -16.564 -3.937 -10.559 660 H LEU 75 H LEU 75 -9.128 -6.013 -7.735 661 HA LEU 75 HA LEU 75 -10.957 -8.183 -7.808 662 HB2 LEU 75 HB2 LEU 75 -8.222 -7.926 -9.065 663 HB3 LEU 75 HB3 LEU 75 -9.394 -9.173 -9.442 664 HG LEU 75 HG LEU 75 -9.752 -6.216 -9.949 665 HD11 LEU 75 HD11 LEU 75 -8.119 -7.240 -11.439 666 HD12 LEU 75 HD12 LEU 75 -9.604 -6.847 -12.307 667 HD13 LEU 75 HD13 LEU 75 -9.270 -8.514 -11.840 668 HD21 LEU 75 HD21 LEU 75 -11.779 -6.900 -11.152 669 HD22 LEU 75 HD22 LEU 75 -11.869 -7.303 -9.437 670 HD23 LEU 75 HD23 LEU 75 -11.524 -8.563 -10.622 671 H ARG 76 H ARG 76 -7.977 -7.622 -6.132 672 HA ARG 76 HA ARG 76 -7.897 -10.421 -5.247 673 HB2 ARG 76 HB2 ARG 76 -5.840 -8.212 -5.120 674 HB3 ARG 76 HB3 ARG 76 -5.650 -9.739 -4.273 675 HG2 ARG 76 HG2 ARG 76 -4.404 -9.932 -6.254 676 HG3 ARG 76 HG3 ARG 76 -5.869 -10.872 -6.516 677 HD2 ARG 76 HD2 ARG 76 -6.834 -9.030 -7.798 678 HD3 ARG 76 HD3 ARG 76 -5.391 -8.061 -7.506 679 HE ARG 76 HE ARG 76 -4.661 -10.508 -8.716 680 HH11 ARG 76 HH11 ARG 76 -6.247 -7.475 -9.486 681 HH12 ARG 76 HH12 ARG 76 -5.795 -7.514 -11.165 682 HH21 ARG 76 HH21 ARG 76 -4.078 -10.566 -10.925 683 HH22 ARG 76 HH22 ARG 76 -4.589 -9.283 -11.979 684 H GLN 77 H GLN 77 -9.990 -9.089 -4.288 685 HA GLN 77 HA GLN 77 -9.514 -7.578 -1.925 686 HB2 GLN 77 HB2 GLN 77 -11.555 -7.450 -3.417 687 HB3 GLN 77 HB3 GLN 77 -12.076 -8.972 -2.709 688 HG2 GLN 77 HG2 GLN 77 -13.199 -7.108 -1.648 689 HG3 GLN 77 HG3 GLN 77 -12.136 -7.920 -0.499 690 HE21 GLN 77 HE21 GLN 77 -10.949 -5.805 -2.996 691 HE22 GLN 77 HE22 GLN 77 -10.439 -4.530 -1.950 692 H HIS 78 H HIS 78 -9.571 -10.935 -2.570 693 HA HIS 78 HA HIS 78 -10.136 -11.573 0.239 694 HB2 HIS 78 HB2 HIS 78 -9.987 -13.283 -2.244 695 HB3 HIS 78 HB3 HIS 78 -10.069 -13.969 -0.623 696 HD1 HIS 78 HD1 HIS 78 -12.181 -13.010 -3.352 697 HD2 HIS 78 HD2 HIS 78 -12.498 -12.943 0.798 698 HE1 HIS 78 HE1 HIS 78 -14.646 -12.848 -2.857 699 HE2 HIS 78 HE2 HIS 78 -14.817 -12.905 -0.338 700 H GLU 79 H GLU 79 -7.569 -10.507 -1.222 701 HA GLU 79 HA GLU 79 -5.710 -12.626 -0.430 702 HB2 GLU 79 HB2 GLU 79 -5.704 -11.320 -2.704 703 HB3 GLU 79 HB3 GLU 79 -4.872 -10.081 -1.773 704 HG2 GLU 79 HG2 GLU 79 -3.323 -11.560 -2.959 705 HG3 GLU 79 HG3 GLU 79 -3.114 -11.635 -1.209 706 H LEU 80 H LEU 80 -7.198 -10.434 1.234 707 HA LEU 80 HA LEU 80 -5.012 -10.051 3.077 708 HB2 LEU 80 HB2 LEU 80 -5.159 -7.668 3.258 709 HB3 LEU 80 HB3 LEU 80 -4.844 -8.071 1.584 710 HG LEU 80 HG LEU 80 -7.616 -7.434 2.586 711 HD11 LEU 80 HD11 LEU 80 -7.265 -5.161 1.754 712 HD12 LEU 80 HD12 LEU 80 -5.573 -5.541 1.430 713 HD13 LEU 80 HD13 LEU 80 -6.174 -5.537 3.088 714 HD21 LEU 80 HD21 LEU 80 -8.004 -6.900 0.217 715 HD22 LEU 80 HD22 LEU 80 -7.514 -8.578 0.445 716 HD23 LEU 80 HD23 LEU 80 -6.352 -7.394 -0.156 717 HA PRO 81 HA PRO 81 -8.421 -10.369 5.923 718 HB2 PRO 81 HB2 PRO 81 -6.826 -9.096 7.989 719 HB3 PRO 81 HB3 PRO 81 -7.271 -10.796 7.831 720 HG2 PRO 81 HG2 PRO 81 -4.723 -9.880 7.531 721 HG3 PRO 81 HG3 PRO 81 -5.339 -11.330 6.722 722 HD2 PRO 81 HD2 PRO 81 -4.974 -8.563 5.638 723 HD3 PRO 81 HD3 PRO 81 -4.638 -10.130 4.868 724 H ALA 82 H ALA 82 -8.832 -8.641 8.105 725 HA ALA 82 HA ALA 82 -10.116 -6.417 6.813 726 HB1 ALA 82 HB1 ALA 82 -11.179 -7.629 8.662 727 HB2 ALA 82 HB2 ALA 82 -10.994 -5.915 9.034 728 HB3 ALA 82 HB3 ALA 82 -9.895 -7.096 9.747 729 H MET 83 H MET 83 -7.470 -6.124 6.326 730 HA MET 83 HA MET 83 -6.531 -4.048 8.204 731 HB2 MET 83 HB2 MET 83 -4.796 -5.637 6.311 732 HB3 MET 83 HB3 MET 83 -4.281 -4.630 7.655 733 HG2 MET 83 HG2 MET 83 -5.819 -7.200 7.925 734 HG3 MET 83 HG3 MET 83 -4.072 -7.043 8.091 735 HE1 MET 83 HE1 MET 83 -4.310 -8.270 10.471 736 HE2 MET 83 HE2 MET 83 -6.061 -8.338 10.281 737 HE3 MET 83 HE3 MET 83 -5.360 -7.686 11.762 738 H ASP 84 H ASP 84 -5.714 -2.126 7.308 739 HA ASP 84 HA ASP 84 -6.173 -1.800 4.417 740 HB2 ASP 84 HB2 ASP 84 -6.631 0.510 4.766 741 HB3 ASP 84 HB3 ASP 84 -7.561 -0.361 5.977 742 H PHE 85 H PHE 85 -4.652 -0.381 3.292 743 HA PHE 85 HA PHE 85 -2.020 -0.218 4.572 744 HB2 PHE 85 HB2 PHE 85 -2.533 -1.531 1.891 745 HB3 PHE 85 HB3 PHE 85 -0.942 -1.168 2.547 746 HD1 PHE 85 HD2 PHE 85 -0.241 -2.302 4.693 747 HD2 PHE 85 HD1 PHE 85 -3.644 -3.504 2.439 748 HE1 PHE 85 HE2 PHE 85 -0.216 -4.482 5.830 749 HE2 PHE 85 HE1 PHE 85 -3.630 -5.688 3.574 750 HZ PHE 85 HZ PHE 85 -1.912 -6.181 5.270 751 H VAL 86 H VAL 86 -0.847 1.539 3.983 752 HA VAL 86 HA VAL 86 -2.141 3.450 2.208 753 HB VAL 86 HB VAL 86 -1.344 4.338 4.317 754 HG11 VAL 86 HG11 VAL 86 1.029 4.401 4.896 755 HG12 VAL 86 HG12 VAL 86 1.400 3.423 3.477 756 HG13 VAL 86 HG13 VAL 86 0.431 2.745 4.784 757 HG21 VAL 86 HG21 VAL 86 0.340 5.284 2.002 758 HG22 VAL 86 HG22 VAL 86 0.087 6.170 3.507 759 HG23 VAL 86 HG23 VAL 86 -1.274 5.850 2.433 760 H VAL 87 H VAL 87 -1.490 3.880 0.198 761 HA VAL 87 HA VAL 87 0.897 2.450 -0.768 762 HB VAL 87 HB VAL 87 -1.530 3.255 -2.378 763 HG11 VAL 87 HG11 VAL 87 0.497 3.113 -3.706 764 HG12 VAL 87 HG12 VAL 87 -0.586 1.774 -4.090 765 HG13 VAL 87 HG13 VAL 87 0.823 1.503 -3.065 766 HG21 VAL 87 HG21 VAL 87 -2.131 0.892 -2.378 767 HG22 VAL 87 HG22 VAL 87 -2.099 1.533 -0.735 768 HG23 VAL 87 HG23 VAL 87 -0.766 0.536 -1.320 769 H VAL 88 H VAL 88 2.533 3.786 -1.092 770 HA VAL 88 HA VAL 88 1.955 6.497 -2.104 771 HB VAL 88 HB VAL 88 4.393 5.593 -0.554 772 HG11 VAL 88 HG11 VAL 88 4.875 7.395 -2.129 773 HG12 VAL 88 HG12 VAL 88 4.960 7.974 -0.466 774 HG13 VAL 88 HG13 VAL 88 3.552 8.347 -1.460 775 HG21 VAL 88 HG21 VAL 88 2.037 7.265 0.322 776 HG22 VAL 88 HG22 VAL 88 3.499 6.987 1.269 777 HG23 VAL 88 HG23 VAL 88 2.430 5.640 0.876 778 H ALA 89 H ALA 89 2.489 6.798 -4.156 779 HA ALA 89 HA ALA 89 4.254 4.883 -5.466 780 HB1 ALA 89 HB1 ALA 89 2.540 7.067 -6.646 781 HB2 ALA 89 HB2 ALA 89 2.082 5.371 -6.484 782 HB3 ALA 89 HB3 ALA 89 3.415 5.825 -7.544 783 H LYS 90 H LYS 90 6.068 5.487 -6.676 784 HA LYS 90 HA LYS 90 7.363 7.919 -5.737 785 HB2 LYS 90 HB2 LYS 90 8.404 5.620 -7.401 786 HB3 LYS 90 HB3 LYS 90 9.375 6.972 -6.842 787 HG2 LYS 90 HG2 LYS 90 7.901 5.348 -4.833 788 HG3 LYS 90 HG3 LYS 90 9.352 4.675 -5.573 789 HD2 LYS 90 HD2 LYS 90 10.024 5.756 -3.565 790 HD3 LYS 90 HD3 LYS 90 10.553 6.773 -4.904 791 HE2 LYS 90 HE2 LYS 90 8.652 8.248 -4.554 792 HE3 LYS 90 HE3 LYS 90 8.065 7.214 -3.251 793 HZ1 LYS 90 HZ1 LYS 90 10.614 8.740 -3.286 794 HZ2 LYS 90 HZ2 LYS 90 10.137 7.683 -2.048 795 HZ3 LYS 90 HZ3 LYS 90 9.244 9.093 -2.350 796 H LYS 91 H LYS 91 8.810 9.003 -7.472 797 HA LYS 91 HA LYS 91 7.067 9.955 -9.544 798 HB2 LYS 91 HB2 LYS 91 8.678 11.432 -8.330 799 HB3 LYS 91 HB3 LYS 91 9.998 10.560 -9.099 800 HG2 LYS 91 HG2 LYS 91 9.191 11.279 -11.293 801 HG3 LYS 91 HG3 LYS 91 7.882 12.169 -10.515 802 HD2 LYS 91 HD2 LYS 91 9.503 13.800 -10.924 803 HD3 LYS 91 HD3 LYS 91 9.738 13.385 -9.227 804 HE2 LYS 91 HE2 LYS 91 11.331 12.168 -11.475 805 HE3 LYS 91 HE3 LYS 91 11.838 13.606 -10.596 806 HZ1 LYS 91 HZ1 LYS 91 11.394 10.915 -9.410 807 HZ2 LYS 91 HZ2 LYS 91 11.862 12.302 -8.553 808 HZ3 LYS 91 HZ3 LYS 91 12.894 11.638 -9.718 809 H GLY 92 H GLY 92 6.847 9.062 -11.473 810 HA2 GLY 92 HA2 GLY 92 8.186 8.412 -13.502 811 HA3 GLY 92 HA3 GLY 92 9.022 7.302 -12.426 812 H VAL 93 H VAL 93 6.409 6.773 -11.021 813 HA VAL 93 HA VAL 93 5.673 4.441 -12.395 814 HB VAL 93 HB VAL 93 5.278 4.863 -9.959 815 HG11 VAL 93 HG11 VAL 93 3.042 6.591 -11.000 816 HG12 VAL 93 HG12 VAL 93 4.384 7.072 -9.959 817 HG13 VAL 93 HG13 VAL 93 3.132 5.991 -9.347 818 HG21 VAL 93 HG21 VAL 93 2.882 3.983 -11.560 819 HG22 VAL 93 HG22 VAL 93 3.138 3.660 -9.846 820 HG23 VAL 93 HG23 VAL 93 4.232 2.971 -11.046 821 H ALA 94 H ALA 94 4.595 7.707 -12.671 822 HA ALA 94 HA ALA 94 2.178 7.091 -14.123 823 HB1 ALA 94 HB1 ALA 94 1.999 9.543 -14.339 824 HB2 ALA 94 HB2 ALA 94 3.580 9.709 -13.582 825 HB3 ALA 94 HB3 ALA 94 2.231 9.032 -12.670 826 H ASP 95 H ASP 95 5.286 6.795 -14.967 827 HA ASP 95 HA ASP 95 4.764 7.578 -17.752 828 HB2 ASP 95 HB2 ASP 95 6.246 9.224 -16.446 829 HB3 ASP 95 HB3 ASP 95 7.461 7.949 -16.451 830 H LEU 96 H LEU 96 4.683 5.027 -16.263 831 HA LEU 96 HA LEU 96 6.917 3.585 -17.502 832 HB2 LEU 96 HB2 LEU 96 4.993 2.754 -15.332 833 HB3 LEU 96 HB3 LEU 96 6.209 1.698 -16.026 834 HG LEU 96 HG LEU 96 6.755 4.235 -14.477 835 HD11 LEU 96 HD11 LEU 96 5.924 2.398 -13.087 836 HD12 LEU 96 HD12 LEU 96 7.621 2.746 -12.761 837 HD13 LEU 96 HD13 LEU 96 7.180 1.341 -13.732 838 HD21 LEU 96 HD21 LEU 96 8.632 2.195 -15.670 839 HD22 LEU 96 HD22 LEU 96 9.105 3.504 -14.586 840 HD23 LEU 96 HD23 LEU 96 8.441 3.873 -16.178 841 H ASP 97 H ASP 97 6.542 1.630 -18.621 842 HA ASP 97 HA ASP 97 4.374 1.527 -20.398 843 HB2 ASP 97 HB2 ASP 97 6.238 -0.682 -19.480 844 HB3 ASP 97 HB3 ASP 97 5.128 -0.823 -20.833 845 H ASN 98 H ASN 98 2.420 0.444 -20.338 846 HA ASN 98 HA ASN 98 1.292 -0.383 -17.891 847 HB2 ASN 98 HB2 ASN 98 0.484 -1.019 -20.738 848 HB3 ASN 98 HB3 ASN 98 -0.475 -1.460 -19.329 849 HD21 ASN 98 HD21 ASN 98 -1.103 0.310 -21.576 850 HD22 ASN 98 HD22 ASN 98 -1.508 1.835 -20.867 851 H ARG 99 H ARG 99 3.038 -2.030 -20.393 852 HA ARG 99 HA ARG 99 2.732 -4.691 -19.632 853 HB2 ARG 99 HB2 ARG 99 3.767 -4.208 -21.702 854 HB3 ARG 99 HB3 ARG 99 4.955 -3.152 -20.957 855 HG2 ARG 99 HG2 ARG 99 5.986 -5.125 -19.891 856 HG3 ARG 99 HG3 ARG 99 4.832 -6.151 -20.747 857 HD2 ARG 99 HD2 ARG 99 7.090 -5.925 -21.835 858 HD3 ARG 99 HD3 ARG 99 5.710 -5.531 -22.861 859 HE ARG 99 HE ARG 99 6.616 -3.175 -21.632 860 HH11 ARG 99 HH11 ARG 99 7.819 -5.529 -23.923 861 HH12 ARG 99 HH12 ARG 99 8.649 -4.348 -24.892 862 HH21 ARG 99 HH21 ARG 99 7.699 -1.604 -22.907 863 HH22 ARG 99 HH22 ARG 99 8.611 -2.123 -24.300 864 H ALA 100 H ALA 100 5.038 -2.234 -18.501 865 HA ALA 100 HA ALA 100 6.504 -3.916 -16.779 866 HB1 ALA 100 HB1 ALA 100 7.333 -1.734 -17.535 867 HB2 ALA 100 HB2 ALA 100 7.348 -1.864 -15.776 868 HB3 ALA 100 HB3 ALA 100 6.082 -0.935 -16.580 869 H LEU 101 H LEU 101 3.636 -1.922 -16.304 870 HA LEU 101 HA LEU 101 3.346 -2.313 -13.533 871 HB2 LEU 101 HB2 LEU 101 1.183 -1.918 -15.606 872 HB3 LEU 101 HB3 LEU 101 1.000 -1.692 -13.878 873 HG LEU 101 HG LEU 101 2.771 -0.049 -15.686 874 HD11 LEU 101 HD11 LEU 101 1.171 1.754 -15.187 875 HD12 LEU 101 HD12 LEU 101 0.149 0.588 -14.344 876 HD13 LEU 101 HD13 LEU 101 0.438 0.420 -16.076 877 HD21 LEU 101 HD21 LEU 101 3.110 1.375 -13.738 878 HD22 LEU 101 HD22 LEU 101 3.692 -0.261 -13.429 879 HD23 LEU 101 HD23 LEU 101 2.154 0.271 -12.750 880 H SER 102 H SER 102 2.221 -4.157 -16.320 881 HA SER 102 HA SER 102 0.679 -6.070 -14.972 882 HB2 SER 102 HB2 SER 102 0.635 -5.764 -17.416 883 HB3 SER 102 HB3 SER 102 2.285 -6.373 -17.526 884 HG SER 102 HG SER 102 -0.035 -7.792 -16.698 885 H GLU 103 H GLU 103 4.128 -6.050 -15.820 886 HA GLU 103 HA GLU 103 4.733 -8.624 -14.853 887 HB2 GLU 103 HB2 GLU 103 6.549 -6.210 -15.020 888 HB3 GLU 103 HB3 GLU 103 7.068 -7.881 -14.856 889 HG2 GLU 103 HG2 GLU 103 5.557 -6.759 -17.203 890 HG3 GLU 103 HG3 GLU 103 7.297 -7.032 -17.143 891 H ALA 104 H ALA 104 4.737 -5.453 -13.300 892 HA ALA 104 HA ALA 104 5.941 -6.337 -10.872 893 HB1 ALA 104 HB1 ALA 104 6.071 -4.017 -11.636 894 HB2 ALA 104 HB2 ALA 104 5.377 -4.132 -10.018 895 HB3 ALA 104 HB3 ALA 104 4.330 -3.848 -11.409 896 H LEU 105 H LEU 105 2.720 -6.349 -12.078 897 HA LEU 105 HA LEU 105 1.219 -6.085 -9.751 898 HB2 LEU 105 HB2 LEU 105 0.536 -6.236 -12.266 899 HB3 LEU 105 HB3 LEU 105 0.403 -7.953 -11.950 900 HG LEU 105 HG LEU 105 -1.115 -5.884 -10.360 901 HD11 LEU 105 HD11 LEU 105 -3.050 -6.431 -11.766 902 HD12 LEU 105 HD12 LEU 105 -2.009 -7.406 -12.804 903 HD13 LEU 105 HD13 LEU 105 -1.758 -5.665 -12.690 904 HD21 LEU 105 HD21 LEU 105 -2.547 -7.768 -9.778 905 HD22 LEU 105 HD22 LEU 105 -0.876 -8.087 -9.313 906 HD23 LEU 105 HD23 LEU 105 -1.549 -8.844 -10.756 907 H GLU 106 H GLU 106 2.581 -9.034 -11.218 908 HA GLU 106 HA GLU 106 1.381 -10.749 -9.282 909 HB2 GLU 106 HB2 GLU 106 2.698 -12.531 -10.253 910 HB3 GLU 106 HB3 GLU 106 1.998 -11.546 -11.528 911 HG2 GLU 106 HG2 GLU 106 3.991 -11.111 -12.379 912 HG3 GLU 106 HG3 GLU 106 4.608 -10.577 -10.813 913 H LYS 107 H LYS 107 4.319 -8.918 -9.388 914 HA LYS 107 HA LYS 107 5.706 -10.419 -7.391 915 HB2 LYS 107 HB2 LYS 107 6.232 -7.497 -7.812 916 HB3 LYS 107 HB3 LYS 107 7.365 -8.784 -7.440 917 HG2 LYS 107 HG2 LYS 107 6.123 -8.112 -10.090 918 HG3 LYS 107 HG3 LYS 107 7.825 -8.093 -9.641 919 HD2 LYS 107 HD2 LYS 107 6.083 -10.542 -9.879 920 HD3 LYS 107 HD3 LYS 107 7.282 -10.011 -11.055 921 HE2 LYS 107 HE2 LYS 107 9.056 -10.362 -9.446 922 HE3 LYS 107 HE3 LYS 107 7.878 -10.792 -8.204 923 HZ1 LYS 107 HZ1 LYS 107 8.716 -12.810 -9.072 924 HZ2 LYS 107 HZ2 LYS 107 8.534 -12.291 -10.674 925 HZ3 LYS 107 HZ3 LYS 107 7.163 -12.625 -9.738 926 H LEU 108 H LEU 108 3.697 -7.531 -7.437 927 HA LEU 108 HA LEU 108 3.766 -6.985 -4.672 928 HB2 LEU 108 HB2 LEU 108 2.986 -5.291 -6.147 929 HB3 LEU 108 HB3 LEU 108 1.778 -6.353 -6.844 930 HG LEU 108 HG LEU 108 0.524 -6.311 -4.723 931 HD11 LEU 108 HD11 LEU 108 2.594 -4.307 -3.846 932 HD12 LEU 108 HD12 LEU 108 2.383 -5.933 -3.196 933 HD13 LEU 108 HD13 LEU 108 1.117 -4.725 -2.975 934 HD21 LEU 108 HD21 LEU 108 0.009 -4.716 -6.502 935 HD22 LEU 108 HD22 LEU 108 1.158 -3.573 -5.808 936 HD23 LEU 108 HD23 LEU 108 -0.286 -4.028 -4.906 937 H TRP 109 H TRP 109 1.525 -8.854 -6.670 938 HA TRP 109 HA TRP 109 -0.420 -9.431 -4.802 939 HB2 TRP 109 HB2 TRP 109 -0.645 -9.928 -7.184 940 HB3 TRP 109 HB3 TRP 109 0.578 -11.187 -7.054 941 HD1 TRP 109 HD1 TRP 109 -2.867 -10.426 -5.414 942 HE1 TRP 109 HE1 TRP 109 -4.129 -12.656 -5.159 943 HE3 TRP 109 HE3 TRP 109 0.705 -13.598 -7.248 944 HZ2 TRP 109 HZ2 TRP 109 -3.673 -15.391 -5.673 945 HZ3 TRP 109 HZ3 TRP 109 0.207 -16.007 -7.330 946 HH2 TRP 109 HH2 TRP 109 -1.935 -16.883 -6.559 947 H ARG 110 H ARG 110 2.448 -11.431 -5.548 948 HA ARG 110 HA ARG 110 1.741 -13.440 -3.686 949 HB2 ARG 110 HB2 ARG 110 4.278 -12.828 -5.175 950 HB3 ARG 110 HB3 ARG 110 4.177 -14.162 -4.028 951 HG2 ARG 110 HG2 ARG 110 2.385 -15.166 -5.295 952 HG3 ARG 110 HG3 ARG 110 2.372 -13.801 -6.409 953 HD2 ARG 110 HD2 ARG 110 4.530 -14.375 -7.251 954 HD3 ARG 110 HD3 ARG 110 4.760 -15.588 -5.990 955 HE ARG 110 HE ARG 110 2.911 -16.836 -7.040 956 HH11 ARG 110 HH11 ARG 110 4.618 -14.452 -8.977 957 HH12 ARG 110 HH12 ARG 110 4.192 -15.206 -10.479 958 HH21 ARG 110 HH21 ARG 110 2.350 -17.795 -9.023 959 HH22 ARG 110 HH22 ARG 110 2.909 -17.080 -10.514 960 H ARG 111 H ARG 111 3.946 -10.667 -3.438 961 HA ARG 111 HA ARG 111 4.808 -11.361 -0.800 962 HB2 ARG 111 HB2 ARG 111 6.249 -9.994 -2.141 963 HB3 ARG 111 HB3 ARG 111 4.980 -8.815 -2.407 964 HG2 ARG 111 HG2 ARG 111 6.842 -8.211 -0.786 965 HG3 ARG 111 HG3 ARG 111 5.185 -7.922 -0.268 966 HD2 ARG 111 HD2 ARG 111 6.707 -8.917 1.464 967 HD3 ARG 111 HD3 ARG 111 5.210 -9.795 1.174 968 HE ARG 111 HE ARG 111 7.073 -11.011 -0.437 969 HH11 ARG 111 HH11 ARG 111 6.850 -10.276 2.967 970 HH12 ARG 111 HH12 ARG 111 7.647 -11.727 3.486 971 HH21 ARG 111 HH21 ARG 111 8.113 -12.957 0.218 972 HH22 ARG 111 HH22 ARG 111 8.370 -13.255 1.916 973 H HIS 112 H HIS 112 2.210 -9.433 -2.154 974 HA HIS 112 HA HIS 112 1.299 -8.170 0.169 975 HB2 HIS 112 HB2 HIS 112 0.432 -7.687 -2.096 976 HB3 HIS 112 HB3 HIS 112 -0.340 -9.265 -2.132 977 HD1 HIS 112 HD1 HIS 112 -2.590 -9.504 -0.959 978 HD2 HIS 112 HD2 HIS 112 -0.814 -5.786 -0.383 979 HE1 HIS 112 HE1 HIS 112 -4.372 -8.055 0.058 980 HE2 HIS 112 HE2 HIS 112 -3.307 -5.785 0.303 981 H CYS 113 H CYS 113 0.658 -11.390 -1.117 982 HA CYS 113 HA CYS 113 -1.258 -12.141 0.827 983 HB2 CYS 113 HB2 CYS 113 -0.987 -13.257 -1.369 984 HB3 CYS 113 HB3 CYS 113 0.564 -13.898 -0.835 985 HG CYS 113 HG CYS 113 -2.502 -15.023 -0.299 986 H ARG 114 H ARG 114 2.191 -12.939 0.481 987 HA ARG 114 HA ARG 114 2.308 -14.541 2.797 988 HB2 ARG 114 HB2 ARG 114 4.479 -13.195 1.190 989 HB3 ARG 114 HB3 ARG 114 4.804 -14.290 2.530 990 HG2 ARG 114 HG2 ARG 114 3.180 -15.046 0.112 991 HG3 ARG 114 HG3 ARG 114 4.913 -15.341 0.269 992 HD2 ARG 114 HD2 ARG 114 4.594 -16.819 2.087 993 HD3 ARG 114 HD3 ARG 114 2.916 -16.317 2.295 994 HE ARG 114 HE ARG 114 2.321 -17.593 0.399 995 HH11 ARG 114 HH11 ARG 114 5.716 -17.901 1.213 996 HH12 ARG 114 HH12 ARG 114 5.929 -19.363 0.303 997 HH21 ARG 114 HH21 ARG 114 2.578 -19.523 -0.759 998 HH22 ARG 114 HH22 ARG 114 4.136 -20.306 -0.815 999 H LEU 115 H LEU 115 2.610 -11.099 2.367 1000 HA LEU 115 HA LEU 115 3.840 -10.758 4.974 1001 HB2 LEU 115 HB2 LEU 115 4.384 -9.310 2.989 1002 HB3 LEU 115 HB3 LEU 115 2.780 -8.618 3.135 1003 HG LEU 115 HG LEU 115 3.370 -7.865 5.439 1004 HD11 LEU 115 HD11 LEU 115 5.118 -9.487 5.914 1005 HD12 LEU 115 HD12 LEU 115 5.730 -7.842 6.084 1006 HD13 LEU 115 HD13 LEU 115 6.128 -8.788 4.650 1007 HD21 LEU 115 HD21 LEU 115 3.522 -6.346 3.533 1008 HD22 LEU 115 HD22 LEU 115 5.175 -6.883 3.232 1009 HD23 LEU 115 HD23 LEU 115 4.789 -6.014 4.716 1010 H ALA 116 H ALA 116 0.717 -10.052 3.428 1011 HA ALA 116 HA ALA 116 -0.355 -8.729 5.705 1012 HB1 ALA 116 HB1 ALA 116 -1.153 -8.306 3.424 1013 HB2 ALA 116 HB2 ALA 116 -2.463 -8.744 4.521 1014 HB3 ALA 116 HB3 ALA 116 -1.838 -9.930 3.375 1015 H ARG 117 H ARG 117 -0.410 -12.080 4.609 1016 HA ARG 117 HA ARG 117 -2.289 -12.757 6.747 1017 HB2 ARG 117 HB2 ARG 117 -1.044 -14.601 4.705 1018 HB3 ARG 117 HB3 ARG 117 -2.367 -14.982 5.793 1019 HG2 ARG 117 HG2 ARG 117 -3.642 -13.105 4.600 1020 HG3 ARG 117 HG3 ARG 117 -2.379 -13.218 3.371 1021 HD2 ARG 117 HD2 ARG 117 -2.915 -15.781 3.504 1022 HD3 ARG 117 HD3 ARG 117 -4.448 -15.217 4.162 1023 HE ARG 117 HE ARG 117 -3.470 -14.266 1.553 1024 HH11 ARG 117 HH11 ARG 117 -6.007 -15.645 3.545 1025 HH12 ARG 117 HH12 ARG 117 -7.101 -15.863 2.210 1026 HH21 ARG 117 HH21 ARG 117 -4.904 -14.553 -0.191 1027 HH22 ARG 117 HH22 ARG 117 -6.483 -15.229 0.098 1028 H GLY 118 H GLY 118 0.897 -12.204 6.650 1029 HA2 GLY 118 HA2 GLY 118 1.455 -14.199 8.714 1030 HA3 GLY 118 HA3 GLY 118 2.481 -14.199 7.291 1031 H SER 119 H SER 119 4.378 -13.520 8.047 1032 HA SER 119 HA SER 119 4.457 -10.974 9.506 1033 HB2 SER 119 HB2 SER 119 4.793 -13.057 10.959 1034 HB3 SER 119 HB3 SER 119 6.304 -13.296 10.083 1035 HG SER 119 HG SER 119 6.931 -12.111 11.772 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -2.307 -14.368 16.074 2 H2 MET 1 H2 MET 1 -2.778 -12.792 16.487 3 H3 MET 1 H3 MET 1 -3.217 -13.441 14.985 4 HA MET 1 HA MET 1 -4.584 -15.098 16.060 5 HB2 MET 1 HB2 MET 1 -3.759 -13.605 18.558 6 HB3 MET 1 HB3 MET 1 -5.119 -14.717 18.494 7 HG2 MET 1 HG2 MET 1 -3.588 -16.521 17.838 8 HG3 MET 1 HG3 MET 1 -2.235 -15.398 17.985 9 HE1 MET 1 HE1 MET 1 -1.018 -17.092 19.660 10 HE2 MET 1 HE2 MET 1 -2.372 -18.204 19.470 11 HE3 MET 1 HE3 MET 1 -1.802 -17.774 21.085 12 H VAL 2 H VAL 2 -6.784 -14.481 17.124 13 HA VAL 2 HA VAL 2 -7.845 -12.395 15.523 14 HB VAL 2 HB VAL 2 -9.991 -12.842 16.684 15 HG11 VAL 2 HG11 VAL 2 -8.473 -15.262 15.723 16 HG12 VAL 2 HG12 VAL 2 -9.392 -14.131 14.731 17 HG13 VAL 2 HG13 VAL 2 -10.226 -15.161 15.891 18 HG21 VAL 2 HG21 VAL 2 -8.358 -14.821 18.275 19 HG22 VAL 2 HG22 VAL 2 -10.117 -14.692 18.293 20 HG23 VAL 2 HG23 VAL 2 -9.128 -13.364 18.902 21 H LYS 3 H LYS 3 -6.477 -12.341 18.661 22 HA LYS 3 HA LYS 3 -7.715 -9.723 19.151 23 HB2 LYS 3 HB2 LYS 3 -8.117 -11.368 20.939 24 HB3 LYS 3 HB3 LYS 3 -6.381 -11.559 21.150 25 HG2 LYS 3 HG2 LYS 3 -6.136 -9.431 22.067 26 HG3 LYS 3 HG3 LYS 3 -7.685 -8.877 21.432 27 HD2 LYS 3 HD2 LYS 3 -7.315 -10.948 23.593 28 HD3 LYS 3 HD3 LYS 3 -7.769 -9.264 23.860 29 HE2 LYS 3 HE2 LYS 3 -9.760 -9.694 22.372 30 HE3 LYS 3 HE3 LYS 3 -9.337 -11.402 22.430 31 HZ1 LYS 3 HZ1 LYS 3 -11.006 -10.931 24.064 32 HZ2 LYS 3 HZ2 LYS 3 -10.073 -9.687 24.743 33 HZ3 LYS 3 HZ3 LYS 3 -9.559 -11.295 24.869 34 H LEU 4 H LEU 4 -6.523 -8.029 18.791 35 HA LEU 4 HA LEU 4 -3.715 -8.290 18.178 36 HB2 LEU 4 HB2 LEU 4 -5.531 -6.843 17.004 37 HB3 LEU 4 HB3 LEU 4 -5.258 -5.712 18.309 38 HG LEU 4 HG LEU 4 -3.068 -6.648 16.453 39 HD11 LEU 4 HD11 LEU 4 -4.795 -5.502 15.169 40 HD12 LEU 4 HD12 LEU 4 -3.344 -4.511 15.305 41 HD13 LEU 4 HD13 LEU 4 -4.751 -4.150 16.302 42 HD21 LEU 4 HD21 LEU 4 -3.243 -4.280 18.315 43 HD22 LEU 4 HD22 LEU 4 -1.885 -4.683 17.265 44 HD23 LEU 4 HD23 LEU 4 -2.308 -5.749 18.604 45 H ALA 5 H ALA 5 -2.171 -8.104 19.663 46 HA ALA 5 HA ALA 5 -2.749 -6.891 22.236 47 HB1 ALA 5 HB1 ALA 5 -0.582 -7.758 22.920 48 HB2 ALA 5 HB2 ALA 5 -0.236 -8.248 21.261 49 HB3 ALA 5 HB3 ALA 5 -1.542 -9.023 22.157 50 H PHE 6 H PHE 6 -2.741 -4.730 22.143 51 HA PHE 6 HA PHE 6 -0.667 -3.370 20.600 52 HB2 PHE 6 HB2 PHE 6 -2.036 -1.347 20.896 53 HB3 PHE 6 HB3 PHE 6 -2.980 -2.661 20.202 54 HD1 PHE 6 HD1 PHE 6 -4.611 -3.891 21.642 55 HD2 PHE 6 HD2 PHE 6 -2.630 -0.356 22.949 56 HE1 PHE 6 HE1 PHE 6 -6.302 -3.599 23.407 57 HE2 PHE 6 HE2 PHE 6 -4.316 -0.060 24.716 58 HZ PHE 6 HZ PHE 6 -6.155 -1.682 24.947 59 HA PRO 7 HA PRO 7 1.560 -2.216 24.270 60 HB2 PRO 7 HB2 PRO 7 2.848 -0.026 23.339 61 HB3 PRO 7 HB3 PRO 7 3.299 -1.665 22.858 62 HG2 PRO 7 HG2 PRO 7 1.630 0.345 21.396 63 HG3 PRO 7 HG3 PRO 7 2.904 -0.718 20.769 64 HD2 PRO 7 HD2 PRO 7 0.263 -1.274 20.497 65 HD3 PRO 7 HD3 PRO 7 1.497 -2.539 20.651 66 H ARG 8 H ARG 8 1.788 -0.362 25.775 67 HA ARG 8 HA ARG 8 -0.785 0.765 26.243 68 HB2 ARG 8 HB2 ARG 8 0.233 1.781 28.240 69 HB3 ARG 8 HB3 ARG 8 0.581 0.066 28.116 70 HG2 ARG 8 HG2 ARG 8 2.602 0.950 28.797 71 HG3 ARG 8 HG3 ARG 8 2.811 0.831 27.051 72 HD2 ARG 8 HD2 ARG 8 3.627 2.974 27.991 73 HD3 ARG 8 HD3 ARG 8 2.355 3.183 26.787 74 HE ARG 8 HE ARG 8 1.334 3.062 29.452 75 HH11 ARG 8 HH11 ARG 8 2.843 5.227 27.128 76 HH12 ARG 8 HH12 ARG 8 2.127 6.645 27.828 77 HH21 ARG 8 HH21 ARG 8 0.407 4.919 30.337 78 HH22 ARG 8 HH22 ARG 8 0.743 6.480 29.635 79 H GLU 9 H GLU 9 1.881 1.787 24.455 80 HA GLU 9 HA GLU 9 1.402 4.620 24.722 81 HB2 GLU 9 HB2 GLU 9 3.607 3.250 24.098 82 HB3 GLU 9 HB3 GLU 9 3.004 3.510 22.467 83 HG2 GLU 9 HG2 GLU 9 4.618 5.224 23.204 84 HG3 GLU 9 HG3 GLU 9 3.042 5.891 22.774 85 H LEU 10 H LEU 10 0.106 2.050 22.927 86 HA LEU 10 HA LEU 10 -0.715 3.653 20.658 87 HB2 LEU 10 HB2 LEU 10 -0.088 1.155 20.620 88 HB3 LEU 10 HB3 LEU 10 -1.661 0.872 21.335 89 HG LEU 10 HG LEU 10 -1.538 0.519 18.857 90 HD11 LEU 10 HD11 LEU 10 -3.640 1.641 18.341 91 HD12 LEU 10 HD12 LEU 10 -3.460 2.648 19.777 92 HD13 LEU 10 HD13 LEU 10 -3.681 0.907 19.944 93 HD21 LEU 10 HD21 LEU 10 -0.034 2.335 18.292 94 HD22 LEU 10 HD22 LEU 10 -1.235 3.517 18.812 95 HD23 LEU 10 HD23 LEU 10 -1.551 2.495 17.410 96 H ARG 11 H ARG 11 -2.303 5.052 20.959 97 HA ARG 11 HA ARG 11 -4.792 4.165 22.140 98 HB2 ARG 11 HB2 ARG 11 -4.931 6.120 23.654 99 HB3 ARG 11 HB3 ARG 11 -3.644 5.011 24.095 100 HG2 ARG 11 HG2 ARG 11 -2.061 6.541 22.873 101 HG3 ARG 11 HG3 ARG 11 -3.394 7.693 22.763 102 HD2 ARG 11 HD2 ARG 11 -3.593 7.663 25.215 103 HD3 ARG 11 HD3 ARG 11 -2.231 6.548 25.300 104 HE ARG 11 HE ARG 11 -2.132 9.398 24.607 105 HH11 ARG 11 HH11 ARG 11 -0.451 6.361 25.088 106 HH12 ARG 11 HH12 ARG 11 1.117 7.097 25.258 107 HH21 ARG 11 HH21 ARG 11 -0.085 10.384 24.905 108 HH22 ARG 11 HH22 ARG 11 1.320 9.389 25.177 109 H LEU 12 H LEU 12 -6.115 6.582 22.235 110 HA LEU 12 HA LEU 12 -6.629 6.974 19.471 111 HB2 LEU 12 HB2 LEU 12 -7.643 8.390 21.929 112 HB3 LEU 12 HB3 LEU 12 -8.162 8.814 20.312 113 HG LEU 12 HG LEU 12 -9.844 7.426 21.246 114 HD11 LEU 12 HD11 LEU 12 -9.878 5.518 19.732 115 HD12 LEU 12 HD12 LEU 12 -8.167 5.762 19.381 116 HD13 LEU 12 HD13 LEU 12 -9.346 6.985 18.911 117 HD21 LEU 12 HD21 LEU 12 -7.682 5.428 21.892 118 HD22 LEU 12 HD22 LEU 12 -9.415 5.185 22.119 119 HD23 LEU 12 HD23 LEU 12 -8.569 6.420 23.052 120 H LEU 13 H LEU 13 -4.648 7.691 18.622 121 HA LEU 13 HA LEU 13 -3.673 10.322 19.388 122 HB2 LEU 13 HB2 LEU 13 -2.314 8.204 18.596 123 HB3 LEU 13 HB3 LEU 13 -2.712 8.792 16.996 124 HG LEU 13 HG LEU 13 -0.470 9.488 17.711 125 HD11 LEU 13 HD11 LEU 13 -1.673 10.908 16.142 126 HD12 LEU 13 HD12 LEU 13 -0.658 11.872 17.215 127 HD13 LEU 13 HD13 LEU 13 -2.399 11.795 17.484 128 HD21 LEU 13 HD21 LEU 13 -0.197 11.114 19.512 129 HD22 LEU 13 HD22 LEU 13 -0.867 9.596 20.109 130 HD23 LEU 13 HD23 LEU 13 -1.916 10.996 19.884 131 H THR 14 H THR 14 -4.617 8.795 16.316 132 HA THR 14 HA THR 14 -6.468 10.894 15.699 133 HB THR 14 HB THR 14 -4.469 12.050 14.969 134 HG1 THR 14 HG1 THR 14 -5.309 12.592 13.071 135 HG21 THR 14 HG21 THR 14 -2.958 10.154 14.732 136 HG22 THR 14 HG22 THR 14 -2.977 11.113 13.252 137 HG23 THR 14 HG23 THR 14 -3.863 9.590 13.327 138 HA PRO 15 HA PRO 15 -8.144 7.417 13.441 139 HB2 PRO 15 HB2 PRO 15 -9.800 9.367 12.009 140 HB3 PRO 15 HB3 PRO 15 -10.293 8.080 13.113 141 HG2 PRO 15 HG2 PRO 15 -10.460 10.686 13.780 142 HG3 PRO 15 HG3 PRO 15 -10.103 9.424 14.975 143 HD2 PRO 15 HD2 PRO 15 -8.228 11.324 13.603 144 HD3 PRO 15 HD3 PRO 15 -8.267 10.808 15.304 145 H SER 16 H SER 16 -6.466 10.064 12.148 146 HA SER 16 HA SER 16 -6.646 9.337 9.380 147 HB2 SER 16 HB2 SER 16 -6.096 11.653 10.257 148 HB3 SER 16 HB3 SER 16 -4.506 11.029 10.693 149 HG SER 16 HG SER 16 -5.641 11.045 8.080 150 H GLN 17 H GLN 17 -5.721 7.616 8.526 151 HA GLN 17 HA GLN 17 -3.997 5.951 10.057 152 HB2 GLN 17 HB2 GLN 17 -4.692 5.774 7.123 153 HB3 GLN 17 HB3 GLN 17 -3.985 4.494 8.098 154 HG2 GLN 17 HG2 GLN 17 -6.713 5.706 8.489 155 HG3 GLN 17 HG3 GLN 17 -6.365 4.145 7.750 156 HE21 GLN 17 HE21 GLN 17 -7.975 4.795 10.087 157 HE22 GLN 17 HE22 GLN 17 -7.295 3.894 11.398 158 H PHE 18 H PHE 18 -3.430 8.522 7.872 159 HA PHE 18 HA PHE 18 -0.981 7.862 6.734 160 HB2 PHE 18 HB2 PHE 18 -2.022 10.561 7.605 161 HB3 PHE 18 HB3 PHE 18 -0.595 10.330 6.602 162 HD1 PHE 18 HD1 PHE 18 -0.836 9.327 4.339 163 HD2 PHE 18 HD2 PHE 18 -4.195 10.474 6.683 164 HE1 PHE 18 HE1 PHE 18 -2.245 9.307 2.322 165 HE2 PHE 18 HE2 PHE 18 -5.612 10.455 4.672 166 HZ PHE 18 HZ PHE 18 -4.638 9.871 2.488 167 H THR 19 H THR 19 -1.718 8.985 9.961 168 HA THR 19 HA THR 19 1.138 8.904 10.637 169 HB THR 19 HB THR 19 -1.174 9.947 12.294 170 HG1 THR 19 HG1 THR 19 0.752 11.298 10.672 171 HG21 THR 19 HG21 THR 19 0.551 10.972 13.678 172 HG22 THR 19 HG22 THR 19 1.807 10.267 12.659 173 HG23 THR 19 HG23 THR 19 0.765 9.221 13.623 174 H PHE 20 H PHE 20 -1.906 7.332 11.108 175 HA PHE 20 HA PHE 20 -1.307 6.010 13.545 176 HB2 PHE 20 HB2 PHE 20 -3.595 6.502 12.360 177 HB3 PHE 20 HB3 PHE 20 -3.307 4.949 11.584 178 HD1 PHE 20 HD2 PHE 20 -3.107 6.402 15.017 179 HD2 PHE 20 HD1 PHE 20 -4.314 3.146 12.561 180 HE1 PHE 20 HE2 PHE 20 -4.022 5.257 16.994 181 HE2 PHE 20 HE1 PHE 20 -5.237 1.998 14.531 182 HZ PHE 20 HZ PHE 20 -5.090 3.053 16.751 183 H VAL 21 H VAL 21 -0.903 5.120 10.138 184 HA VAL 21 HA VAL 21 0.094 2.484 10.894 185 HB VAL 21 HB VAL 21 0.353 2.021 8.553 186 HG11 VAL 21 HG11 VAL 21 -1.942 2.374 7.733 187 HG12 VAL 21 HG12 VAL 21 -2.225 3.487 9.072 188 HG13 VAL 21 HG13 VAL 21 -1.891 1.786 9.393 189 HG21 VAL 21 HG21 VAL 21 -0.298 4.921 8.039 190 HG22 VAL 21 HG22 VAL 21 -0.105 3.676 6.804 191 HG23 VAL 21 HG23 VAL 21 1.270 4.143 7.806 192 H PHE 22 H PHE 22 1.279 5.601 10.602 193 HA PHE 22 HA PHE 22 3.868 4.999 9.526 194 HB2 PHE 22 HB2 PHE 22 2.696 7.215 9.284 195 HB3 PHE 22 HB3 PHE 22 2.992 7.494 10.996 196 HD1 PHE 22 HD2 PHE 22 4.843 6.611 7.881 197 HD2 PHE 22 HD1 PHE 22 4.867 8.676 11.601 198 HE1 PHE 22 HE2 PHE 22 7.048 7.558 7.338 199 HE2 PHE 22 HE1 PHE 22 7.070 9.630 11.062 200 HZ PHE 22 HZ PHE 22 8.163 9.071 8.928 201 H GLN 23 H GLN 23 2.457 4.464 12.482 202 HA GLN 23 HA GLN 23 4.505 5.011 14.312 203 HB2 GLN 23 HB2 GLN 23 2.545 2.705 14.343 204 HB3 GLN 23 HB3 GLN 23 3.479 3.273 15.718 205 HG2 GLN 23 HG2 GLN 23 1.289 4.743 14.269 206 HG3 GLN 23 HG3 GLN 23 1.244 4.093 15.910 207 HE21 GLN 23 HE21 GLN 23 2.333 6.655 13.871 208 HE22 GLN 23 HE22 GLN 23 2.891 7.707 15.126 209 H GLN 24 H GLN 24 3.903 2.237 12.226 210 HA GLN 24 HA GLN 24 6.738 1.656 12.189 211 HB2 GLN 24 HB2 GLN 24 5.861 0.268 14.066 212 HB3 GLN 24 HB3 GLN 24 4.750 -0.499 12.941 213 HG2 GLN 24 HG2 GLN 24 6.677 -1.324 11.647 214 HG3 GLN 24 HG3 GLN 24 7.756 -0.622 12.852 215 HE21 GLN 24 HE21 GLN 24 5.510 -3.164 12.144 216 HE22 GLN 24 HE22 GLN 24 5.864 -4.142 13.530 217 HA PRO 25 HA PRO 25 4.494 1.291 8.192 218 HB2 PRO 25 HB2 PRO 25 6.317 2.606 6.684 219 HB3 PRO 25 HB3 PRO 25 5.074 3.438 7.629 220 HG2 PRO 25 HG2 PRO 25 7.966 3.009 8.253 221 HG3 PRO 25 HG3 PRO 25 6.960 4.441 8.533 222 HD2 PRO 25 HD2 PRO 25 7.611 2.618 10.472 223 HD3 PRO 25 HD3 PRO 25 6.154 3.628 10.514 224 H GLN 26 H GLN 26 4.712 -0.855 7.894 225 HA GLN 26 HA GLN 26 7.244 -2.121 7.427 226 HB2 GLN 26 HB2 GLN 26 4.393 -3.101 7.189 227 HB3 GLN 26 HB3 GLN 26 5.812 -4.125 6.987 228 HG2 GLN 26 HG2 GLN 26 6.388 -4.004 9.220 229 HG3 GLN 26 HG3 GLN 26 5.491 -2.511 9.477 230 HE21 GLN 26 HE21 GLN 26 4.109 -5.227 7.787 231 HE22 GLN 26 HE22 GLN 26 2.985 -5.670 9.022 232 H ARG 27 H ARG 27 8.286 -2.168 5.589 233 HA ARG 27 HA ARG 27 7.106 -0.949 3.251 234 HB2 ARG 27 HB2 ARG 27 9.508 -0.664 4.292 235 HB3 ARG 27 HB3 ARG 27 9.879 -2.085 3.331 236 HG2 ARG 27 HG2 ARG 27 8.697 0.421 2.169 237 HG3 ARG 27 HG3 ARG 27 10.431 0.135 2.291 238 HD2 ARG 27 HD2 ARG 27 10.147 -1.907 0.921 239 HD3 ARG 27 HD3 ARG 27 8.433 -1.521 0.751 240 HE ARG 27 HE ARG 27 10.301 0.547 -0.080 241 HH11 ARG 27 HH11 ARG 27 8.336 -2.178 -1.057 242 HH12 ARG 27 HH12 ARG 27 8.169 -1.627 -2.692 243 HH21 ARG 27 HH21 ARG 27 10.104 1.264 -2.244 244 HH22 ARG 27 HH22 ARG 27 9.168 0.324 -3.367 245 H ALA 28 H ALA 28 6.032 -2.120 1.802 246 HA ALA 28 HA ALA 28 7.187 -4.669 0.927 247 HB1 ALA 28 HB1 ALA 28 4.996 -5.732 0.858 248 HB2 ALA 28 HB2 ALA 28 4.254 -4.281 1.532 249 HB3 ALA 28 HB3 ALA 28 5.388 -5.224 2.500 250 H GLY 29 H GLY 29 5.956 -5.401 -1.145 251 HA2 GLY 29 HA2 GLY 29 4.798 -4.843 -3.123 252 HA3 GLY 29 HA3 GLY 29 4.922 -3.147 -2.685 253 H THR 30 H THR 30 5.827 -2.327 -4.481 254 HA THR 30 HA THR 30 8.267 -3.604 -5.549 255 HB THR 30 HB THR 30 6.573 -1.584 -7.011 256 HG1 THR 30 HG1 THR 30 5.685 -3.905 -6.133 257 HG21 THR 30 HG21 THR 30 7.380 -2.764 -8.998 258 HG22 THR 30 HG22 THR 30 8.257 -3.901 -7.974 259 HG23 THR 30 HG23 THR 30 8.728 -2.203 -8.010 260 HA PRO 31 HA PRO 31 10.670 0.104 -4.509 261 HB2 PRO 31 HB2 PRO 31 12.031 0.293 -6.952 262 HB3 PRO 31 HB3 PRO 31 12.583 -0.577 -5.519 263 HG2 PRO 31 HG2 PRO 31 11.211 -1.607 -7.955 264 HG3 PRO 31 HG3 PRO 31 12.472 -2.367 -6.966 265 HD2 PRO 31 HD2 PRO 31 9.917 -3.149 -6.795 266 HD3 PRO 31 HD3 PRO 31 10.953 -3.074 -5.353 267 H GLN 32 H GLN 32 9.176 -0.196 -7.713 268 HA GLN 32 HA GLN 32 9.097 2.612 -8.217 269 HB2 GLN 32 HB2 GLN 32 9.112 0.772 -9.951 270 HB3 GLN 32 HB3 GLN 32 7.434 0.463 -9.533 271 HG2 GLN 32 HG2 GLN 32 7.544 1.817 -11.514 272 HG3 GLN 32 HG3 GLN 32 6.866 2.763 -10.190 273 HE21 GLN 32 HE21 GLN 32 7.988 4.510 -9.403 274 HE22 GLN 32 HE22 GLN 32 9.389 5.158 -10.188 275 H ILE 33 H ILE 33 6.805 0.249 -6.966 276 HA ILE 33 HA ILE 33 5.052 2.460 -6.166 277 HB ILE 33 HB ILE 33 3.876 1.477 -7.970 278 HG12 ILE 33 HG12 ILE 33 2.787 0.297 -5.408 279 HG13 ILE 33 HG13 ILE 33 2.501 1.932 -5.996 280 HG21 ILE 33 HG21 ILE 33 5.147 -0.580 -8.193 281 HG22 ILE 33 HG22 ILE 33 3.416 -0.912 -8.187 282 HG23 ILE 33 HG23 ILE 33 4.381 -1.231 -6.745 283 HD11 ILE 33 HD11 ILE 33 1.619 -0.610 -7.335 284 HD12 ILE 33 HD12 ILE 33 1.342 1.021 -7.944 285 HD13 ILE 33 HD13 ILE 33 0.595 0.505 -6.431 286 H THR 34 H THR 34 5.127 2.589 -4.037 287 HA THR 34 HA THR 34 6.034 0.264 -2.516 288 HB THR 34 HB THR 34 5.702 3.123 -1.590 289 HG1 THR 34 HG1 THR 34 7.265 2.487 -3.425 290 HG21 THR 34 HG21 THR 34 7.304 2.483 0.153 291 HG22 THR 34 HG22 THR 34 7.334 0.834 -0.474 292 HG23 THR 34 HG23 THR 34 5.851 1.484 0.228 293 H ILE 35 H ILE 35 4.742 -0.871 -1.199 294 HA ILE 35 HA ILE 35 2.157 0.308 -0.421 295 HB ILE 35 HB ILE 35 2.961 -2.607 -0.600 296 HG12 ILE 35 HG12 ILE 35 0.842 -2.561 -2.127 297 HG13 ILE 35 HG13 ILE 35 1.151 -0.830 -2.213 298 HG21 ILE 35 HG21 ILE 35 0.713 -3.155 0.141 299 HG22 ILE 35 HG22 ILE 35 0.342 -1.442 0.336 300 HG23 ILE 35 HG23 ILE 35 1.554 -2.206 1.366 301 HD11 ILE 35 HD11 ILE 35 3.373 -1.281 -3.124 302 HD12 ILE 35 HD12 ILE 35 2.098 -1.989 -4.116 303 HD13 ILE 35 HD13 ILE 35 3.049 -3.014 -3.043 304 H LEU 36 H LEU 36 2.089 1.021 1.611 305 HA LEU 36 HA LEU 36 3.901 -0.223 3.571 306 HB2 LEU 36 HB2 LEU 36 2.746 2.563 3.524 307 HB3 LEU 36 HB3 LEU 36 3.708 1.908 4.834 308 HG LEU 36 HG LEU 36 4.682 2.311 2.004 309 HD11 LEU 36 HD11 LEU 36 5.238 3.899 4.506 310 HD12 LEU 36 HD12 LEU 36 4.278 4.435 3.127 311 HD13 LEU 36 HD13 LEU 36 6.006 4.140 2.937 312 HD21 LEU 36 HD21 LEU 36 6.885 1.829 2.930 313 HD22 LEU 36 HD22 LEU 36 5.793 0.463 3.152 314 HD23 LEU 36 HD23 LEU 36 6.163 1.524 4.510 315 H GLY 37 H GLY 37 3.129 -0.758 5.585 316 HA2 GLY 37 HA2 GLY 37 0.437 -0.165 6.403 317 HA3 GLY 37 HA3 GLY 37 0.656 -1.842 5.917 318 H ARG 38 H ARG 38 -0.075 -1.767 8.370 319 HA ARG 38 HA ARG 38 2.347 -2.434 9.832 320 HB2 ARG 38 HB2 ARG 38 1.603 0.026 10.273 321 HB3 ARG 38 HB3 ARG 38 0.307 -0.691 11.206 322 HG2 ARG 38 HG2 ARG 38 3.241 -1.123 11.715 323 HG3 ARG 38 HG3 ARG 38 2.218 0.023 12.576 324 HD2 ARG 38 HD2 ARG 38 0.794 -1.889 13.288 325 HD3 ARG 38 HD3 ARG 38 1.967 -2.979 12.550 326 HE ARG 38 HE ARG 38 2.835 -1.099 14.636 327 HH11 ARG 38 HH11 ARG 38 2.369 -4.391 13.535 328 HH12 ARG 38 HH12 ARG 38 3.228 -5.086 14.873 329 HH21 ARG 38 HH21 ARG 38 3.965 -2.010 16.371 330 HH22 ARG 38 HH22 ARG 38 4.122 -3.738 16.491 331 H LEU 39 H LEU 39 -0.940 -1.863 10.998 332 HA LEU 39 HA LEU 39 -2.097 -4.334 10.883 333 HB2 LEU 39 HB2 LEU 39 -0.071 -5.125 12.143 334 HB3 LEU 39 HB3 LEU 39 -0.533 -4.068 13.463 335 HG LEU 39 HG LEU 39 -2.611 -5.345 13.766 336 HD11 LEU 39 HD11 LEU 39 -2.904 -7.479 12.589 337 HD12 LEU 39 HD12 LEU 39 -1.505 -7.105 11.582 338 HD13 LEU 39 HD13 LEU 39 -2.952 -6.102 11.489 339 HD21 LEU 39 HD21 LEU 39 -0.651 -5.957 15.057 340 HD22 LEU 39 HD22 LEU 39 -0.102 -7.018 13.760 341 HD23 LEU 39 HD23 LEU 39 -1.582 -7.396 14.641 342 H ASN 40 H ASN 40 -3.921 -3.078 10.824 343 HA ASN 40 HA ASN 40 -4.586 -1.550 13.239 344 HB2 ASN 40 HB2 ASN 40 -4.890 -0.467 10.426 345 HB3 ASN 40 HB3 ASN 40 -5.246 0.381 11.928 346 HD21 ASN 40 HD21 ASN 40 -3.562 1.222 13.140 347 HD22 ASN 40 HD22 ASN 40 -1.955 1.359 12.526 348 H SER 41 H SER 41 -6.848 -1.218 13.533 349 HA SER 41 HA SER 41 -8.447 -3.239 12.162 350 HB2 SER 41 HB2 SER 41 -9.139 -1.608 14.614 351 HB3 SER 41 HB3 SER 41 -10.001 -3.023 14.009 352 HG SER 41 HG SER 41 -7.664 -3.941 14.259 353 H LEU 42 H LEU 42 -8.963 -2.249 10.214 354 HA LEU 42 HA LEU 42 -10.499 0.243 10.374 355 HB2 LEU 42 HB2 LEU 42 -9.154 -1.211 8.129 356 HB3 LEU 42 HB3 LEU 42 -10.461 -0.098 7.776 357 HG LEU 42 HG LEU 42 -8.333 1.012 7.488 358 HD11 LEU 42 HD11 LEU 42 -10.185 2.346 8.309 359 HD12 LEU 42 HD12 LEU 42 -8.655 2.921 8.973 360 HD13 LEU 42 HD13 LEU 42 -9.745 1.958 9.972 361 HD21 LEU 42 HD21 LEU 42 -6.956 -0.335 8.967 362 HD22 LEU 42 HD22 LEU 42 -7.799 0.318 10.372 363 HD23 LEU 42 HD23 LEU 42 -6.806 1.377 9.370 364 H GLY 43 H GLY 43 -10.830 -3.156 9.759 365 HA2 GLY 43 HA2 GLY 43 -12.826 -4.361 10.002 366 HA3 GLY 43 HA3 GLY 43 -13.727 -2.856 9.876 367 H HIS 44 H HIS 44 -12.895 -1.819 7.520 368 HA HIS 44 HA HIS 44 -13.380 -3.937 5.539 369 HB2 HIS 44 HB2 HIS 44 -14.630 -1.189 5.647 370 HB3 HIS 44 HB3 HIS 44 -14.631 -2.185 4.195 371 HD1 HIS 44 HD1 HIS 44 -15.169 -4.882 5.962 372 HD2 HIS 44 HD2 HIS 44 -17.413 -1.379 5.882 373 HE1 HIS 44 HE1 HIS 44 -17.477 -5.541 6.701 374 HE2 HIS 44 HE2 HIS 44 -18.850 -3.436 6.533 375 HA PRO 45 HA PRO 45 -9.759 -2.712 3.448 376 HB2 PRO 45 HB2 PRO 45 -10.601 -2.657 0.819 377 HB3 PRO 45 HB3 PRO 45 -10.167 -4.120 1.707 378 HG2 PRO 45 HG2 PRO 45 -12.871 -2.957 1.178 379 HG3 PRO 45 HG3 PRO 45 -12.352 -4.652 1.134 380 HD2 PRO 45 HD2 PRO 45 -13.713 -3.669 3.215 381 HD3 PRO 45 HD3 PRO 45 -12.412 -4.857 3.446 382 H ARG 46 H ARG 46 -8.718 -0.873 3.053 383 HA ARG 46 HA ARG 46 -10.079 1.366 1.755 384 HB2 ARG 46 HB2 ARG 46 -10.227 1.393 4.373 385 HB3 ARG 46 HB3 ARG 46 -8.530 1.831 4.296 386 HG2 ARG 46 HG2 ARG 46 -10.615 3.392 2.813 387 HG3 ARG 46 HG3 ARG 46 -10.260 3.698 4.513 388 HD2 ARG 46 HD2 ARG 46 -7.871 4.020 3.872 389 HD3 ARG 46 HD3 ARG 46 -8.362 3.895 2.185 390 HE ARG 46 HE ARG 46 -9.937 5.871 3.367 391 HH11 ARG 46 HH11 ARG 46 -6.535 5.294 2.790 392 HH12 ARG 46 HH12 ARG 46 -6.168 6.966 2.491 393 HH21 ARG 46 HH21 ARG 46 -9.458 8.096 3.005 394 HH22 ARG 46 HH22 ARG 46 -7.829 8.568 2.605 395 H ILE 47 H ILE 47 -8.600 2.717 0.637 396 HA ILE 47 HA ILE 47 -5.779 1.941 0.779 397 HB ILE 47 HB ILE 47 -6.815 0.623 -1.039 398 HG12 ILE 47 HG12 ILE 47 -4.911 2.779 -1.982 399 HG13 ILE 47 HG13 ILE 47 -4.459 1.259 -1.211 400 HG21 ILE 47 HG21 ILE 47 -8.606 2.112 -1.684 401 HG22 ILE 47 HG22 ILE 47 -7.590 1.761 -3.085 402 HG23 ILE 47 HG23 ILE 47 -7.444 3.310 -2.253 403 HD11 ILE 47 HD11 ILE 47 -5.362 0.030 -3.120 404 HD12 ILE 47 HD12 ILE 47 -4.103 1.166 -3.603 405 HD13 ILE 47 HD13 ILE 47 -5.800 1.556 -3.891 406 H GLY 48 H GLY 48 -4.331 3.582 0.385 407 HA2 GLY 48 HA2 GLY 48 -5.476 6.197 -0.380 408 HA3 GLY 48 HA3 GLY 48 -4.415 6.044 1.012 409 H LEU 49 H LEU 49 -4.591 6.546 -2.337 410 HA LEU 49 HA LEU 49 -1.880 5.788 -2.945 411 HB2 LEU 49 HB2 LEU 49 -3.602 5.796 -4.682 412 HB3 LEU 49 HB3 LEU 49 -3.828 7.522 -4.470 413 HG LEU 49 HG LEU 49 -1.478 7.873 -5.221 414 HD11 LEU 49 HD11 LEU 49 -0.579 5.692 -4.640 415 HD12 LEU 49 HD12 LEU 49 -0.323 6.044 -6.348 416 HD13 LEU 49 HD13 LEU 49 -1.602 4.933 -5.861 417 HD21 LEU 49 HD21 LEU 49 -1.924 7.410 -7.594 418 HD22 LEU 49 HD22 LEU 49 -3.309 8.137 -6.780 419 HD23 LEU 49 HD23 LEU 49 -3.298 6.409 -7.125 420 H THR 50 H THR 50 -0.128 6.891 -2.466 421 HA THR 50 HA THR 50 -0.358 9.679 -1.627 422 HB THR 50 HB THR 50 2.055 7.860 -1.537 423 HG1 THR 50 HG1 THR 50 -0.063 7.478 -0.208 424 HG21 THR 50 HG21 THR 50 2.598 10.248 -1.432 425 HG22 THR 50 HG22 THR 50 2.900 9.460 0.116 426 HG23 THR 50 HG23 THR 50 1.458 10.452 -0.102 427 H VAL 51 H VAL 51 -0.244 11.113 -3.222 428 HA VAL 51 HA VAL 51 1.954 10.925 -5.126 429 HB VAL 51 HB VAL 51 -0.037 9.904 -6.213 430 HG11 VAL 51 HG11 VAL 51 -1.792 11.170 -5.142 431 HG12 VAL 51 HG12 VAL 51 -1.905 11.333 -6.894 432 HG13 VAL 51 HG13 VAL 51 -1.240 12.648 -5.926 433 HG21 VAL 51 HG21 VAL 51 1.668 10.910 -7.588 434 HG22 VAL 51 HG22 VAL 51 0.917 12.498 -7.412 435 HG23 VAL 51 HG23 VAL 51 0.080 11.217 -8.290 436 H ALA 52 H ALA 52 2.646 12.935 -5.913 437 HA ALA 52 HA ALA 52 1.371 15.312 -4.765 438 HB1 ALA 52 HB1 ALA 52 4.308 14.668 -4.510 439 HB2 ALA 52 HB2 ALA 52 3.127 14.631 -3.200 440 HB3 ALA 52 HB3 ALA 52 3.527 16.160 -3.986 441 H LYS 53 H LYS 53 2.975 17.266 -5.574 442 HA LYS 53 HA LYS 53 2.621 17.216 -8.444 443 HB2 LYS 53 HB2 LYS 53 2.095 19.154 -6.849 444 HB3 LYS 53 HB3 LYS 53 3.826 19.442 -6.801 445 HG2 LYS 53 HG2 LYS 53 3.791 19.710 -9.268 446 HG3 LYS 53 HG3 LYS 53 2.033 19.579 -9.213 447 HD2 LYS 53 HD2 LYS 53 3.638 21.659 -7.730 448 HD3 LYS 53 HD3 LYS 53 2.886 21.917 -9.302 449 HE2 LYS 53 HE2 LYS 53 1.409 22.840 -7.703 450 HE3 LYS 53 HE3 LYS 53 0.684 21.319 -8.215 451 HZ1 LYS 53 HZ1 LYS 53 2.363 21.501 -5.780 452 HZ2 LYS 53 HZ2 LYS 53 1.242 20.297 -6.205 453 HZ3 LYS 53 HZ3 LYS 53 0.703 21.832 -5.746 454 H LYS 54 H LYS 54 4.883 15.754 -6.858 455 HA LYS 54 HA LYS 54 7.123 16.845 -8.426 456 HB2 LYS 54 HB2 LYS 54 8.631 15.871 -6.724 457 HB3 LYS 54 HB3 LYS 54 7.553 17.092 -6.063 458 HG2 LYS 54 HG2 LYS 54 6.166 15.414 -5.068 459 HG3 LYS 54 HG3 LYS 54 7.072 14.129 -5.868 460 HD2 LYS 54 HD2 LYS 54 7.765 14.285 -3.564 461 HD3 LYS 54 HD3 LYS 54 9.085 14.809 -4.609 462 HE2 LYS 54 HE2 LYS 54 8.516 17.146 -4.160 463 HE3 LYS 54 HE3 LYS 54 7.174 16.628 -3.140 464 HZ1 LYS 54 HZ1 LYS 54 9.062 17.183 -1.776 465 HZ2 LYS 54 HZ2 LYS 54 10.060 16.122 -2.645 466 HZ3 LYS 54 HZ3 LYS 54 8.796 15.506 -1.696 467 H ASN 55 H ASN 55 5.320 13.961 -7.621 468 HA ASN 55 HA ASN 55 7.280 12.315 -9.042 469 HB2 ASN 55 HB2 ASN 55 6.098 10.369 -8.087 470 HB3 ASN 55 HB3 ASN 55 6.672 11.474 -6.846 471 HD21 ASN 55 HD21 ASN 55 4.583 9.480 -6.678 472 HD22 ASN 55 HD22 ASN 55 3.137 10.327 -6.249 473 H VAL 56 H VAL 56 3.880 13.250 -9.125 474 HA VAL 56 HA VAL 56 3.804 12.278 -11.901 475 HB VAL 56 HB VAL 56 1.510 12.132 -9.929 476 HG11 VAL 56 HG11 VAL 56 0.258 11.072 -11.737 477 HG12 VAL 56 HG12 VAL 56 1.627 11.292 -12.827 478 HG13 VAL 56 HG13 VAL 56 0.768 12.697 -12.196 479 HG21 VAL 56 HG21 VAL 56 1.679 9.700 -10.245 480 HG22 VAL 56 HG22 VAL 56 3.148 10.375 -9.542 481 HG23 VAL 56 HG23 VAL 56 3.109 9.938 -11.251 482 H ARG 57 H ARG 57 4.013 14.165 -12.951 483 HA ARG 57 HA ARG 57 2.408 16.452 -12.068 484 HB2 ARG 57 HB2 ARG 57 4.837 16.267 -13.852 485 HB3 ARG 57 HB3 ARG 57 3.917 17.747 -13.622 486 HG2 ARG 57 HG2 ARG 57 4.412 17.718 -11.247 487 HG3 ARG 57 HG3 ARG 57 5.287 16.197 -11.435 488 HD2 ARG 57 HD2 ARG 57 6.041 18.689 -12.936 489 HD3 ARG 57 HD3 ARG 57 6.668 18.332 -11.327 490 HE ARG 57 HE ARG 57 7.514 16.192 -12.384 491 HH11 ARG 57 HH11 ARG 57 7.039 19.112 -14.241 492 HH12 ARG 57 HH12 ARG 57 8.312 18.761 -15.367 493 HH21 ARG 57 HH21 ARG 57 9.191 15.715 -13.851 494 HH22 ARG 57 HH22 ARG 57 9.544 16.828 -15.134 495 H ARG 58 H ARG 58 1.732 14.000 -13.850 496 HA ARG 58 HA ARG 58 0.573 15.545 -16.069 497 HB2 ARG 58 HB2 ARG 58 1.264 12.604 -15.930 498 HB3 ARG 58 HB3 ARG 58 0.409 13.364 -17.267 499 HG2 ARG 58 HG2 ARG 58 2.345 14.781 -17.712 500 HG3 ARG 58 HG3 ARG 58 3.198 14.049 -16.354 501 HD2 ARG 58 HD2 ARG 58 3.090 11.870 -17.462 502 HD3 ARG 58 HD3 ARG 58 2.241 12.603 -18.822 503 HE ARG 58 HE ARG 58 4.462 14.076 -18.777 504 HH11 ARG 58 HH11 ARG 58 4.058 10.601 -18.520 505 HH12 ARG 58 HH12 ARG 58 5.605 10.237 -19.231 506 HH21 ARG 58 HH21 ARG 58 6.501 13.593 -19.714 507 HH22 ARG 58 HH22 ARG 58 6.975 11.933 -19.926 508 H ALA 59 H ALA 59 -1.573 15.725 -16.152 509 HA ALA 59 HA ALA 59 -3.024 14.939 -13.831 510 HB1 ALA 59 HB1 ALA 59 -4.856 16.214 -14.749 511 HB2 ALA 59 HB2 ALA 59 -4.051 16.291 -16.316 512 HB3 ALA 59 HB3 ALA 59 -3.346 17.106 -14.920 513 H HIS 60 H HIS 60 -2.991 13.776 -17.169 514 HA HIS 60 HA HIS 60 -5.343 12.173 -16.929 515 HB2 HIS 60 HB2 HIS 60 -2.978 11.959 -18.807 516 HB3 HIS 60 HB3 HIS 60 -4.404 10.940 -18.920 517 HD1 HIS 60 HD1 HIS 60 -3.051 13.567 -20.640 518 HD2 HIS 60 HD2 HIS 60 -6.803 12.994 -18.943 519 HE1 HIS 60 HE1 HIS 60 -4.595 15.143 -21.857 520 HE2 HIS 60 HE2 HIS 60 -6.829 14.881 -20.715 521 H GLU 61 H GLU 61 -1.895 11.534 -16.633 522 HA GLU 61 HA GLU 61 -1.980 8.796 -16.124 523 HB2 GLU 61 HB2 GLU 61 -0.031 10.961 -15.359 524 HB3 GLU 61 HB3 GLU 61 0.235 9.283 -14.909 525 HG2 GLU 61 HG2 GLU 61 1.404 10.075 -16.988 526 HG3 GLU 61 HG3 GLU 61 0.451 8.603 -17.148 527 H ARG 62 H ARG 62 -2.399 11.543 -14.000 528 HA ARG 62 HA ARG 62 -2.348 10.424 -11.494 529 HB2 ARG 62 HB2 ARG 62 -2.709 12.753 -11.709 530 HB3 ARG 62 HB3 ARG 62 -4.139 12.520 -12.701 531 HG2 ARG 62 HG2 ARG 62 -5.267 11.532 -10.701 532 HG3 ARG 62 HG3 ARG 62 -3.861 12.019 -9.749 533 HD2 ARG 62 HD2 ARG 62 -5.706 13.662 -9.642 534 HD3 ARG 62 HD3 ARG 62 -4.219 14.334 -10.313 535 HE ARG 62 HE ARG 62 -5.561 13.577 -12.523 536 HH11 ARG 62 HH11 ARG 62 -6.541 15.444 -9.720 537 HH12 ARG 62 HH12 ARG 62 -7.654 16.442 -10.621 538 HH21 ARG 62 HH21 ARG 62 -7.023 14.895 -13.714 539 HH22 ARG 62 HH22 ARG 62 -7.895 16.154 -12.889 540 H ASN 63 H ASN 63 -5.001 10.331 -13.845 541 HA ASN 63 HA ASN 63 -6.659 8.787 -12.019 542 HB2 ASN 63 HB2 ASN 63 -7.134 9.967 -14.752 543 HB3 ASN 63 HB3 ASN 63 -8.288 8.872 -13.996 544 HD21 ASN 63 HD21 ASN 63 -8.491 11.721 -14.740 545 HD22 ASN 63 HD22 ASN 63 -8.963 12.539 -13.284 546 H ARG 64 H ARG 64 -4.179 8.019 -13.985 547 HA ARG 64 HA ARG 64 -5.376 5.484 -14.858 548 HB2 ARG 64 HB2 ARG 64 -2.766 6.773 -15.681 549 HB3 ARG 64 HB3 ARG 64 -3.336 5.210 -16.250 550 HG2 ARG 64 HG2 ARG 64 -5.435 6.555 -16.994 551 HG3 ARG 64 HG3 ARG 64 -4.351 7.941 -16.878 552 HD2 ARG 64 HD2 ARG 64 -3.829 5.460 -18.511 553 HD3 ARG 64 HD3 ARG 64 -4.464 6.971 -19.150 554 HE ARG 64 HE ARG 64 -2.251 7.926 -18.246 555 HH11 ARG 64 HH11 ARG 64 -2.670 4.713 -19.566 556 HH12 ARG 64 HH12 ARG 64 -1.040 4.599 -20.166 557 HH21 ARG 64 HH21 ARG 64 -0.119 7.812 -19.061 558 HH22 ARG 64 HH22 ARG 64 0.415 6.367 -19.866 559 H ILE 65 H ILE 65 -2.844 6.862 -12.862 560 HA ILE 65 HA ILE 65 -1.505 4.443 -12.250 561 HB ILE 65 HB ILE 65 -1.683 6.973 -10.599 562 HG12 ILE 65 HG12 ILE 65 -0.765 7.438 -12.791 563 HG13 ILE 65 HG13 ILE 65 0.535 7.480 -11.604 564 HG21 ILE 65 HG21 ILE 65 0.303 4.709 -10.448 565 HG22 ILE 65 HG22 ILE 65 -0.956 5.068 -9.265 566 HG23 ILE 65 HG23 ILE 65 0.368 6.207 -9.518 567 HD11 ILE 65 HD11 ILE 65 1.231 6.373 -13.646 568 HD12 ILE 65 HD12 ILE 65 -0.080 5.206 -13.475 569 HD13 ILE 65 HD13 ILE 65 1.225 5.244 -12.292 570 H LYS 66 H LYS 66 -4.193 6.151 -10.718 571 HA LYS 66 HA LYS 66 -4.277 4.397 -8.455 572 HB2 LYS 66 HB2 LYS 66 -6.313 5.613 -7.833 573 HB3 LYS 66 HB3 LYS 66 -4.999 6.708 -8.236 574 HG2 LYS 66 HG2 LYS 66 -6.022 6.948 -10.513 575 HG3 LYS 66 HG3 LYS 66 -7.408 6.038 -9.908 576 HD2 LYS 66 HD2 LYS 66 -6.372 8.626 -8.748 577 HD3 LYS 66 HD3 LYS 66 -7.780 8.467 -9.800 578 HE2 LYS 66 HE2 LYS 66 -8.890 7.085 -8.140 579 HE3 LYS 66 HE3 LYS 66 -7.468 7.152 -7.100 580 HZ1 LYS 66 HZ1 LYS 66 -9.210 8.720 -6.427 581 HZ2 LYS 66 HZ2 LYS 66 -9.080 9.509 -7.925 582 HZ3 LYS 66 HZ3 LYS 66 -7.769 9.511 -6.845 583 H ARG 67 H ARG 67 -5.050 3.779 -11.553 584 HA ARG 67 HA ARG 67 -7.471 2.275 -11.152 585 HB2 ARG 67 HB2 ARG 67 -5.447 2.286 -13.399 586 HB3 ARG 67 HB3 ARG 67 -6.896 1.293 -13.405 587 HG2 ARG 67 HG2 ARG 67 -8.273 3.319 -13.317 588 HG3 ARG 67 HG3 ARG 67 -6.807 4.302 -13.332 589 HD2 ARG 67 HD2 ARG 67 -6.202 3.421 -15.511 590 HD3 ARG 67 HD3 ARG 67 -7.598 2.349 -15.492 591 HE ARG 67 HE ARG 67 -8.345 5.091 -15.213 592 HH11 ARG 67 HH11 ARG 67 -7.406 2.653 -17.548 593 HH12 ARG 67 HH12 ARG 67 -8.229 3.417 -18.874 594 HH21 ARG 67 HH21 ARG 67 -9.451 6.095 -16.964 595 HH22 ARG 67 HH22 ARG 67 -9.395 5.369 -18.542 596 H LEU 68 H LEU 68 -4.083 1.415 -11.772 597 HA LEU 68 HA LEU 68 -4.470 -1.365 -11.458 598 HB2 LEU 68 HB2 LEU 68 -2.615 -0.183 -12.719 599 HB3 LEU 68 HB3 LEU 68 -1.874 0.149 -11.169 600 HG LEU 68 HG LEU 68 -0.962 -1.814 -12.511 601 HD11 LEU 68 HD11 LEU 68 -0.629 -3.212 -10.520 602 HD12 LEU 68 HD12 LEU 68 -1.861 -2.276 -9.674 603 HD13 LEU 68 HD13 LEU 68 -0.366 -1.499 -10.193 604 HD21 LEU 68 HD21 LEU 68 -3.501 -3.099 -11.517 605 HD22 LEU 68 HD22 LEU 68 -2.145 -3.937 -12.273 606 HD23 LEU 68 HD23 LEU 68 -3.088 -2.770 -13.200 607 H THR 69 H THR 69 -3.467 1.194 -9.247 608 HA THR 69 HA THR 69 -2.490 -0.378 -7.162 609 HB THR 69 HB THR 69 -3.088 1.566 -5.685 610 HG1 THR 69 HG1 THR 69 -4.279 3.175 -6.458 611 HG21 THR 69 HG21 THR 69 -1.673 2.219 -8.275 612 HG22 THR 69 HG22 THR 69 -0.944 1.486 -6.845 613 HG23 THR 69 HG23 THR 69 -1.549 3.141 -6.776 614 H ARG 70 H ARG 70 -5.782 0.858 -7.681 615 HA ARG 70 HA ARG 70 -6.819 -0.446 -5.354 616 HB2 ARG 70 HB2 ARG 70 -7.863 1.591 -6.099 617 HB3 ARG 70 HB3 ARG 70 -8.173 0.911 -7.690 618 HG2 ARG 70 HG2 ARG 70 -9.836 -0.543 -6.845 619 HG3 ARG 70 HG3 ARG 70 -9.379 -0.208 -5.175 620 HD2 ARG 70 HD2 ARG 70 -11.463 0.942 -5.935 621 HD3 ARG 70 HD3 ARG 70 -10.214 2.021 -5.316 622 HE ARG 70 HE ARG 70 -9.900 1.838 -8.083 623 HH11 ARG 70 HH11 ARG 70 -12.289 2.979 -5.801 624 HH12 ARG 70 HH12 ARG 70 -12.828 4.293 -6.813 625 HH21 ARG 70 HH21 ARG 70 -10.596 3.569 -9.427 626 HH22 ARG 70 HH22 ARG 70 -11.840 4.645 -8.866 627 H GLU 71 H GLU 71 -6.557 -1.226 -8.748 628 HA GLU 71 HA GLU 71 -8.427 -3.336 -8.811 629 HB2 GLU 71 HB2 GLU 71 -7.380 -2.161 -10.799 630 HB3 GLU 71 HB3 GLU 71 -5.938 -3.124 -10.506 631 HG2 GLU 71 HG2 GLU 71 -7.228 -4.157 -12.232 632 HG3 GLU 71 HG3 GLU 71 -7.289 -5.171 -10.790 633 H SER 72 H SER 72 -4.872 -3.393 -8.476 634 HA SER 72 HA SER 72 -4.675 -6.179 -8.109 635 HB2 SER 72 HB2 SER 72 -2.406 -5.604 -7.129 636 HB3 SER 72 HB3 SER 72 -2.711 -4.977 -8.749 637 HG SER 72 HG SER 72 -2.990 -2.958 -7.925 638 H PHE 73 H PHE 73 -5.087 -3.517 -5.868 639 HA PHE 73 HA PHE 73 -4.792 -4.880 -3.446 640 HB2 PHE 73 HB2 PHE 73 -4.832 -2.492 -3.462 641 HB3 PHE 73 HB3 PHE 73 -6.410 -2.457 -4.234 642 HD1 PHE 73 HD1 PHE 73 -4.788 -3.709 -1.116 643 HD2 PHE 73 HD2 PHE 73 -8.242 -2.026 -2.943 644 HE1 PHE 73 HE1 PHE 73 -5.862 -3.530 1.086 645 HE2 PHE 73 HE2 PHE 73 -9.321 -1.844 -0.740 646 HZ PHE 73 HZ PHE 73 -8.130 -2.597 1.276 647 H ARG 74 H ARG 74 -7.630 -4.387 -5.490 648 HA ARG 74 HA ARG 74 -9.482 -5.508 -3.643 649 HB2 ARG 74 HB2 ARG 74 -10.180 -3.857 -5.278 650 HB3 ARG 74 HB3 ARG 74 -9.704 -4.915 -6.597 651 HG2 ARG 74 HG2 ARG 74 -11.452 -6.472 -6.046 652 HG3 ARG 74 HG3 ARG 74 -11.881 -5.532 -4.614 653 HD2 ARG 74 HD2 ARG 74 -13.419 -5.105 -6.472 654 HD3 ARG 74 HD3 ARG 74 -12.528 -3.656 -6.015 655 HE ARG 74 HE ARG 74 -11.099 -4.851 -8.070 656 HH11 ARG 74 HH11 ARG 74 -14.252 -3.387 -7.590 657 HH12 ARG 74 HH12 ARG 74 -14.407 -2.903 -9.254 658 HH21 ARG 74 HH21 ARG 74 -11.288 -4.183 -10.246 659 HH22 ARG 74 HH22 ARG 74 -12.736 -3.349 -10.757 660 H LEU 75 H LEU 75 -7.693 -6.796 -6.397 661 HA LEU 75 HA LEU 75 -9.270 -9.108 -6.765 662 HB2 LEU 75 HB2 LEU 75 -6.697 -8.111 -7.756 663 HB3 LEU 75 HB3 LEU 75 -6.840 -9.858 -7.729 664 HG LEU 75 HG LEU 75 -7.465 -8.920 -9.910 665 HD11 LEU 75 HD11 LEU 75 -9.646 -10.030 -10.132 666 HD12 LEU 75 HD12 LEU 75 -9.757 -10.128 -8.373 667 HD13 LEU 75 HD13 LEU 75 -8.484 -11.000 -9.227 668 HD21 LEU 75 HD21 LEU 75 -9.542 -7.628 -10.126 669 HD22 LEU 75 HD22 LEU 75 -8.308 -6.765 -9.208 670 HD23 LEU 75 HD23 LEU 75 -9.653 -7.538 -8.368 671 H ARG 76 H ARG 76 -6.823 -8.422 -4.429 672 HA ARG 76 HA ARG 76 -6.731 -11.282 -3.733 673 HB2 ARG 76 HB2 ARG 76 -4.687 -9.125 -3.568 674 HB3 ARG 76 HB3 ARG 76 -4.672 -10.365 -2.318 675 HG2 ARG 76 HG2 ARG 76 -4.494 -10.840 -5.288 676 HG3 ARG 76 HG3 ARG 76 -3.164 -10.941 -4.130 677 HD2 ARG 76 HD2 ARG 76 -4.368 -12.743 -2.948 678 HD3 ARG 76 HD3 ARG 76 -5.638 -12.671 -4.166 679 HE ARG 76 HE ARG 76 -3.245 -13.091 -5.512 680 HH11 ARG 76 HH11 ARG 76 -5.253 -14.757 -3.185 681 HH12 ARG 76 HH12 ARG 76 -4.749 -16.337 -3.675 682 HH21 ARG 76 HH21 ARG 76 -2.562 -15.200 -6.174 683 HH22 ARG 76 HH22 ARG 76 -3.218 -16.593 -5.360 684 H GLN 77 H GLN 77 -8.873 -9.575 -3.016 685 HA GLN 77 HA GLN 77 -8.729 -8.544 -0.417 686 HB2 GLN 77 HB2 GLN 77 -11.098 -8.458 -0.451 687 HB3 GLN 77 HB3 GLN 77 -10.584 -8.195 -2.108 688 HG2 GLN 77 HG2 GLN 77 -11.592 -10.808 -0.998 689 HG3 GLN 77 HG3 GLN 77 -12.556 -9.658 -1.918 690 HE21 GLN 77 HE21 GLN 77 -12.189 -9.430 -4.132 691 HE22 GLN 77 HE22 GLN 77 -11.309 -10.620 -5.033 692 H HIS 78 H HIS 78 -8.977 -11.804 -1.539 693 HA HIS 78 HA HIS 78 -10.004 -12.942 0.877 694 HB2 HIS 78 HB2 HIS 78 -10.073 -13.903 -1.520 695 HB3 HIS 78 HB3 HIS 78 -8.417 -14.416 -1.225 696 HD1 HIS 78 HD1 HIS 78 -11.732 -15.654 -1.087 697 HD2 HIS 78 HD2 HIS 78 -8.362 -16.119 1.310 698 HE1 HIS 78 HE1 HIS 78 -12.120 -17.762 0.232 699 HE2 HIS 78 HE2 HIS 78 -10.010 -18.100 1.569 700 H GLU 79 H GLU 79 -6.952 -11.818 -0.122 701 HA GLU 79 HA GLU 79 -5.576 -13.418 1.938 702 HB2 GLU 79 HB2 GLU 79 -4.541 -12.377 -0.702 703 HB3 GLU 79 HB3 GLU 79 -3.526 -13.108 0.532 704 HG2 GLU 79 HG2 GLU 79 -5.819 -14.480 -0.855 705 HG3 GLU 79 HG3 GLU 79 -4.119 -14.654 -1.288 706 H LEU 80 H LEU 80 -6.847 -10.971 2.563 707 HA LEU 80 HA LEU 80 -4.545 -9.611 3.625 708 HB2 LEU 80 HB2 LEU 80 -5.252 -7.361 2.840 709 HB3 LEU 80 HB3 LEU 80 -4.633 -8.409 1.585 710 HG LEU 80 HG LEU 80 -7.135 -8.894 1.076 711 HD11 LEU 80 HD11 LEU 80 -8.637 -7.047 1.582 712 HD12 LEU 80 HD12 LEU 80 -7.376 -6.268 2.536 713 HD13 LEU 80 HD13 LEU 80 -8.055 -7.808 3.062 714 HD21 LEU 80 HD21 LEU 80 -7.214 -6.946 -0.406 715 HD22 LEU 80 HD22 LEU 80 -5.629 -7.720 -0.422 716 HD23 LEU 80 HD23 LEU 80 -5.871 -6.224 0.480 717 HA PRO 81 HA PRO 81 -7.558 -8.606 6.794 718 HB2 PRO 81 HB2 PRO 81 -5.579 -6.945 8.063 719 HB3 PRO 81 HB3 PRO 81 -6.145 -8.538 8.566 720 HG2 PRO 81 HG2 PRO 81 -3.608 -8.016 7.645 721 HG3 PRO 81 HG3 PRO 81 -4.388 -9.606 7.578 722 HD2 PRO 81 HD2 PRO 81 -4.071 -7.551 5.424 723 HD3 PRO 81 HD3 PRO 81 -3.948 -9.322 5.323 724 H ALA 82 H ALA 82 -8.494 -6.579 7.672 725 HA ALA 82 HA ALA 82 -8.669 -4.687 5.477 726 HB1 ALA 82 HB1 ALA 82 -10.709 -5.618 6.438 727 HB2 ALA 82 HB2 ALA 82 -10.658 -3.861 6.586 728 HB3 ALA 82 HB3 ALA 82 -10.317 -4.874 7.989 729 H MET 83 H MET 83 -6.877 -3.407 5.586 730 HA MET 83 HA MET 83 -6.906 -1.434 7.768 731 HB2 MET 83 HB2 MET 83 -4.468 -2.583 6.389 732 HB3 MET 83 HB3 MET 83 -4.430 -1.134 7.382 733 HG2 MET 83 HG2 MET 83 -3.743 -2.692 8.886 734 HG3 MET 83 HG3 MET 83 -5.480 -2.725 9.179 735 HE1 MET 83 HE1 MET 83 -2.423 -4.540 7.541 736 HE2 MET 83 HE2 MET 83 -3.459 -4.226 6.148 737 HE3 MET 83 HE3 MET 83 -3.204 -5.882 6.701 738 H ASP 84 H ASP 84 -5.550 0.571 6.965 739 HA ASP 84 HA ASP 84 -6.465 1.284 4.288 740 HB2 ASP 84 HB2 ASP 84 -6.849 2.923 6.085 741 HB3 ASP 84 HB3 ASP 84 -5.122 2.971 6.419 742 H PHE 85 H PHE 85 -5.174 0.638 2.725 743 HA PHE 85 HA PHE 85 -2.346 0.265 3.236 744 HB2 PHE 85 HB2 PHE 85 -4.118 -0.424 0.897 745 HB3 PHE 85 HB3 PHE 85 -2.369 -0.626 0.849 746 HD1 PHE 85 HD2 PHE 85 -5.376 -1.615 2.807 747 HD2 PHE 85 HD1 PHE 85 -1.395 -2.572 1.647 748 HE1 PHE 85 HE2 PHE 85 -5.599 -3.816 3.882 749 HE2 PHE 85 HE1 PHE 85 -1.609 -4.775 2.720 750 HZ PHE 85 HZ PHE 85 -3.715 -5.401 3.839 751 H VAL 86 H VAL 86 -1.311 2.134 3.300 752 HA VAL 86 HA VAL 86 -1.805 4.222 1.398 753 HB VAL 86 HB VAL 86 -1.153 4.925 3.585 754 HG11 VAL 86 HG11 VAL 86 1.375 3.327 3.235 755 HG12 VAL 86 HG12 VAL 86 0.034 2.924 4.305 756 HG13 VAL 86 HG13 VAL 86 0.994 4.372 4.602 757 HG21 VAL 86 HG21 VAL 86 -0.340 6.320 1.774 758 HG22 VAL 86 HG22 VAL 86 1.134 5.358 1.673 759 HG23 VAL 86 HG23 VAL 86 0.808 6.322 3.114 760 H VAL 87 H VAL 87 -1.135 4.153 -0.587 761 HA VAL 87 HA VAL 87 1.201 2.501 -1.268 762 HB VAL 87 HB VAL 87 -1.038 3.460 -3.062 763 HG11 VAL 87 HG11 VAL 87 1.062 3.172 -4.266 764 HG12 VAL 87 HG12 VAL 87 -0.095 1.917 -4.711 765 HG13 VAL 87 HG13 VAL 87 1.227 1.545 -3.605 766 HG21 VAL 87 HG21 VAL 87 -1.801 1.803 -1.437 767 HG22 VAL 87 HG22 VAL 87 -0.496 0.719 -1.923 768 HG23 VAL 87 HG23 VAL 87 -1.774 1.131 -3.068 769 H VAL 88 H VAL 88 2.988 3.624 -1.525 770 HA VAL 88 HA VAL 88 2.847 6.432 -2.329 771 HB VAL 88 HB VAL 88 5.239 4.842 -1.385 772 HG11 VAL 88 HG11 VAL 88 6.283 7.030 -1.040 773 HG12 VAL 88 HG12 VAL 88 4.856 7.816 -1.719 774 HG13 VAL 88 HG13 VAL 88 5.855 6.773 -2.733 775 HG21 VAL 88 HG21 VAL 88 3.432 6.714 0.145 776 HG22 VAL 88 HG22 VAL 88 4.936 6.024 0.756 777 HG23 VAL 88 HG23 VAL 88 3.573 4.971 0.372 778 H ALA 89 H ALA 89 2.820 6.731 -4.445 779 HA ALA 89 HA ALA 89 4.161 4.909 -6.252 780 HB1 ALA 89 HB1 ALA 89 2.622 7.441 -6.827 781 HB2 ALA 89 HB2 ALA 89 1.961 5.808 -6.839 782 HB3 ALA 89 HB3 ALA 89 3.181 6.273 -8.023 783 H LYS 90 H LYS 90 6.206 5.143 -6.858 784 HA LYS 90 HA LYS 90 7.639 7.557 -6.161 785 HB2 LYS 90 HB2 LYS 90 8.527 4.950 -7.392 786 HB3 LYS 90 HB3 LYS 90 9.616 6.294 -7.080 787 HG2 LYS 90 HG2 LYS 90 8.004 4.831 -4.999 788 HG3 LYS 90 HG3 LYS 90 9.723 4.598 -5.322 789 HD2 LYS 90 HD2 LYS 90 10.119 6.969 -4.762 790 HD3 LYS 90 HD3 LYS 90 8.408 7.145 -4.376 791 HE2 LYS 90 HE2 LYS 90 8.622 5.498 -2.598 792 HE3 LYS 90 HE3 LYS 90 10.320 5.257 -3.008 793 HZ1 LYS 90 HZ1 LYS 90 9.096 7.766 -1.986 794 HZ2 LYS 90 HZ2 LYS 90 10.715 7.605 -2.461 795 HZ3 LYS 90 HZ3 LYS 90 10.130 6.730 -1.131 796 H LYS 91 H LYS 91 8.970 8.716 -7.677 797 HA LYS 91 HA LYS 91 7.580 9.586 -9.930 798 HB2 LYS 91 HB2 LYS 91 9.198 11.028 -8.902 799 HB3 LYS 91 HB3 LYS 91 10.491 9.867 -9.177 800 HG2 LYS 91 HG2 LYS 91 10.338 10.220 -11.569 801 HG3 LYS 91 HG3 LYS 91 8.982 11.326 -11.336 802 HD2 LYS 91 HD2 LYS 91 10.361 12.916 -10.233 803 HD3 LYS 91 HD3 LYS 91 11.696 11.768 -10.110 804 HE2 LYS 91 HE2 LYS 91 10.579 12.862 -12.688 805 HE3 LYS 91 HE3 LYS 91 12.037 13.446 -11.887 806 HZ1 LYS 91 HZ1 LYS 91 12.568 11.885 -13.655 807 HZ2 LYS 91 HZ2 LYS 91 11.611 10.694 -12.926 808 HZ3 LYS 91 HZ3 LYS 91 13.009 11.245 -12.145 809 H GLY 92 H GLY 92 7.616 9.063 -12.043 810 HA2 GLY 92 HA2 GLY 92 8.738 8.075 -13.961 811 HA3 GLY 92 HA3 GLY 92 9.391 6.860 -12.870 812 H VAL 93 H VAL 93 6.727 6.743 -11.487 813 HA VAL 93 HA VAL 93 5.732 4.476 -12.779 814 HB VAL 93 HB VAL 93 5.351 5.074 -10.376 815 HG11 VAL 93 HG11 VAL 93 3.370 6.452 -9.835 816 HG12 VAL 93 HG12 VAL 93 3.280 6.928 -11.531 817 HG13 VAL 93 HG13 VAL 93 4.687 7.371 -10.564 818 HG21 VAL 93 HG21 VAL 93 2.881 4.375 -11.957 819 HG22 VAL 93 HG22 VAL 93 3.132 4.066 -10.238 820 HG23 VAL 93 HG23 VAL 93 4.135 3.250 -11.438 821 H ALA 94 H ALA 94 4.985 7.840 -13.241 822 HA ALA 94 HA ALA 94 2.578 7.265 -14.777 823 HB1 ALA 94 HB1 ALA 94 3.866 9.913 -14.120 824 HB2 ALA 94 HB2 ALA 94 2.577 9.142 -13.193 825 HB3 ALA 94 HB3 ALA 94 2.277 9.674 -14.848 826 H ASP 95 H ASP 95 5.478 6.678 -15.602 827 HA ASP 95 HA ASP 95 5.188 7.656 -18.336 828 HB2 ASP 95 HB2 ASP 95 6.567 9.333 -17.045 829 HB3 ASP 95 HB3 ASP 95 7.757 8.063 -16.786 830 H LEU 96 H LEU 96 4.900 5.101 -17.071 831 HA LEU 96 HA LEU 96 7.255 3.630 -18.023 832 HB2 LEU 96 HB2 LEU 96 5.046 2.821 -16.137 833 HB3 LEU 96 HB3 LEU 96 6.296 1.731 -16.706 834 HG LEU 96 HG LEU 96 6.765 4.218 -15.063 835 HD11 LEU 96 HD11 LEU 96 5.674 2.493 -13.762 836 HD12 LEU 96 HD12 LEU 96 7.365 2.636 -13.281 837 HD13 LEU 96 HD13 LEU 96 6.851 1.301 -14.313 838 HD21 LEU 96 HD21 LEU 96 8.669 2.068 -15.990 839 HD22 LEU 96 HD22 LEU 96 9.061 3.368 -14.865 840 HD23 LEU 96 HD23 LEU 96 8.639 3.746 -16.535 841 H ASP 97 H ASP 97 6.763 1.454 -18.950 842 HA ASP 97 HA ASP 97 4.979 1.710 -21.170 843 HB2 ASP 97 HB2 ASP 97 7.132 0.495 -21.309 844 HB3 ASP 97 HB3 ASP 97 6.523 -0.698 -20.168 845 H ASN 98 H ASN 98 3.281 0.120 -21.672 846 HA ASN 98 HA ASN 98 1.349 -0.087 -19.660 847 HB2 ASN 98 HB2 ASN 98 0.812 -0.113 -22.062 848 HB3 ASN 98 HB3 ASN 98 1.571 -1.696 -22.213 849 HD21 ASN 98 HD21 ASN 98 -1.184 0.068 -21.047 850 HD22 ASN 98 HD22 ASN 98 -2.184 -1.309 -20.727 851 H ARG 99 H ARG 99 3.956 -2.227 -20.550 852 HA ARG 99 HA ARG 99 2.955 -4.594 -19.354 853 HB2 ARG 99 HB2 ARG 99 4.869 -4.454 -20.992 854 HB3 ARG 99 HB3 ARG 99 5.863 -3.842 -19.676 855 HG2 ARG 99 HG2 ARG 99 5.250 -5.956 -18.418 856 HG3 ARG 99 HG3 ARG 99 4.609 -6.556 -19.946 857 HD2 ARG 99 HD2 ARG 99 7.446 -5.689 -19.405 858 HD3 ARG 99 HD3 ARG 99 6.881 -7.346 -19.603 859 HE ARG 99 HE ARG 99 6.506 -5.471 -21.819 860 HH11 ARG 99 HH11 ARG 99 8.132 -8.271 -20.474 861 HH12 ARG 99 HH12 ARG 99 8.854 -8.727 -21.987 862 HH21 ARG 99 HH21 ARG 99 7.468 -6.047 -23.790 863 HH22 ARG 99 HH22 ARG 99 8.510 -7.443 -23.872 864 H ALA 100 H ALA 100 4.187 -1.704 -18.006 865 HA ALA 100 HA ALA 100 5.513 -2.646 -15.729 866 HB1 ALA 100 HB1 ALA 100 3.936 -0.091 -16.006 867 HB2 ALA 100 HB2 ALA 100 5.616 -0.319 -16.491 868 HB3 ALA 100 HB3 ALA 100 5.165 -0.434 -14.790 869 H LEU 101 H LEU 101 2.071 -2.048 -16.303 870 HA LEU 101 HA LEU 101 1.346 -2.517 -13.576 871 HB2 LEU 101 HB2 LEU 101 -0.983 -2.554 -14.423 872 HB3 LEU 101 HB3 LEU 101 -0.090 -1.118 -14.871 873 HG LEU 101 HG LEU 101 0.314 -2.406 -17.117 874 HD11 LEU 101 HD11 LEU 101 -1.527 -3.851 -17.755 875 HD12 LEU 101 HD12 LEU 101 -2.213 -3.721 -16.135 876 HD13 LEU 101 HD13 LEU 101 -0.662 -4.526 -16.375 877 HD21 LEU 101 HD21 LEU 101 -0.902 -0.316 -16.915 878 HD22 LEU 101 HD22 LEU 101 -2.342 -1.187 -16.383 879 HD23 LEU 101 HD23 LEU 101 -1.731 -1.410 -18.023 880 H SER 102 H SER 102 1.969 -4.508 -16.299 881 HA SER 102 HA SER 102 0.584 -6.828 -15.334 882 HB2 SER 102 HB2 SER 102 1.071 -6.532 -17.734 883 HB3 SER 102 HB3 SER 102 2.799 -6.573 -17.390 884 HG SER 102 HG SER 102 2.729 -8.682 -17.160 885 H GLU 103 H GLU 103 3.868 -5.569 -15.236 886 HA GLU 103 HA GLU 103 5.058 -7.759 -13.892 887 HB2 GLU 103 HB2 GLU 103 5.863 -4.840 -13.889 888 HB3 GLU 103 HB3 GLU 103 6.880 -6.183 -13.391 889 HG2 GLU 103 HG2 GLU 103 5.773 -5.822 -16.164 890 HG3 GLU 103 HG3 GLU 103 7.381 -5.316 -15.654 891 H ALA 104 H ALA 104 3.762 -4.653 -12.769 892 HA ALA 104 HA ALA 104 4.381 -4.978 -10.048 893 HB1 ALA 104 HB1 ALA 104 2.165 -3.339 -11.272 894 HB2 ALA 104 HB2 ALA 104 3.837 -2.814 -11.059 895 HB3 ALA 104 HB3 ALA 104 2.830 -3.149 -9.650 896 H LEU 105 H LEU 105 1.846 -6.306 -11.967 897 HA LEU 105 HA LEU 105 -0.141 -6.712 -10.054 898 HB2 LEU 105 HB2 LEU 105 -0.399 -7.067 -12.496 899 HB3 LEU 105 HB3 LEU 105 0.573 -8.519 -12.364 900 HG LEU 105 HG LEU 105 -1.151 -9.482 -10.843 901 HD11 LEU 105 HD11 LEU 105 -2.699 -7.013 -11.624 902 HD12 LEU 105 HD12 LEU 105 -2.117 -7.420 -10.007 903 HD13 LEU 105 HD13 LEU 105 -3.358 -8.412 -10.774 904 HD21 LEU 105 HD21 LEU 105 -2.152 -8.605 -13.550 905 HD22 LEU 105 HD22 LEU 105 -2.766 -9.960 -12.602 906 HD23 LEU 105 HD23 LEU 105 -1.120 -9.999 -13.234 907 H GLU 106 H GLU 106 2.676 -8.722 -10.895 908 HA GLU 106 HA GLU 106 1.898 -10.762 -9.025 909 HB2 GLU 106 HB2 GLU 106 3.718 -12.007 -9.754 910 HB3 GLU 106 HB3 GLU 106 3.313 -11.066 -11.177 911 HG2 GLU 106 HG2 GLU 106 5.500 -10.642 -11.247 912 HG3 GLU 106 HG3 GLU 106 5.148 -9.457 -9.992 913 H LYS 107 H LYS 107 3.887 -7.905 -8.969 914 HA LYS 107 HA LYS 107 5.425 -8.545 -6.686 915 HB2 LYS 107 HB2 LYS 107 4.603 -5.720 -7.276 916 HB3 LYS 107 HB3 LYS 107 6.126 -6.315 -6.642 917 HG2 LYS 107 HG2 LYS 107 5.147 -6.377 -9.480 918 HG3 LYS 107 HG3 LYS 107 6.553 -5.541 -8.825 919 HD2 LYS 107 HD2 LYS 107 6.211 -8.531 -9.008 920 HD3 LYS 107 HD3 LYS 107 7.169 -7.538 -10.105 921 HE2 LYS 107 HE2 LYS 107 8.672 -6.940 -8.327 922 HE3 LYS 107 HE3 LYS 107 7.656 -7.762 -7.140 923 HZ1 LYS 107 HZ1 LYS 107 8.110 -9.856 -8.210 924 HZ2 LYS 107 HZ2 LYS 107 9.581 -9.099 -7.815 925 HZ3 LYS 107 HZ3 LYS 107 9.027 -9.091 -9.416 926 H LEU 108 H LEU 108 2.225 -7.264 -7.151 927 HA LEU 108 HA LEU 108 1.781 -6.725 -4.359 928 HB2 LEU 108 HB2 LEU 108 0.180 -6.579 -6.853 929 HB3 LEU 108 HB3 LEU 108 -0.706 -6.800 -5.360 930 HG LEU 108 HG LEU 108 -0.594 -4.447 -5.983 931 HD11 LEU 108 HD11 LEU 108 0.241 -3.562 -3.871 932 HD12 LEU 108 HD12 LEU 108 1.066 -5.087 -3.553 933 HD13 LEU 108 HD13 LEU 108 -0.695 -5.035 -3.623 934 HD21 LEU 108 HD21 LEU 108 1.535 -3.238 -5.937 935 HD22 LEU 108 HD22 LEU 108 1.503 -4.453 -7.214 936 HD23 LEU 108 HD23 LEU 108 2.393 -4.764 -5.723 937 H TRP 109 H TRP 109 0.389 -9.055 -6.660 938 HA TRP 109 HA TRP 109 -1.124 -10.481 -4.793 939 HB2 TRP 109 HB2 TRP 109 -0.004 -11.261 -7.476 940 HB3 TRP 109 HB3 TRP 109 -1.019 -12.345 -6.534 941 HD1 TRP 109 HD1 TRP 109 -2.084 -8.758 -6.281 942 HE1 TRP 109 HE1 TRP 109 -4.202 -8.392 -7.695 943 HE3 TRP 109 HE3 TRP 109 -2.119 -13.178 -8.850 944 HZ2 TRP 109 HZ2 TRP 109 -5.688 -9.789 -9.648 945 HZ3 TRP 109 HZ3 TRP 109 -3.924 -13.587 -10.477 946 HH2 TRP 109 HH2 TRP 109 -5.670 -11.926 -10.865 947 H ARG 110 H ARG 110 2.016 -11.364 -6.188 948 HA ARG 110 HA ARG 110 2.264 -13.847 -4.907 949 HB2 ARG 110 HB2 ARG 110 3.486 -13.060 -6.938 950 HB3 ARG 110 HB3 ARG 110 4.448 -12.016 -5.909 951 HG2 ARG 110 HG2 ARG 110 5.392 -13.954 -4.791 952 HG3 ARG 110 HG3 ARG 110 4.392 -15.023 -5.785 953 HD2 ARG 110 HD2 ARG 110 5.451 -14.067 -7.805 954 HD3 ARG 110 HD3 ARG 110 6.505 -13.109 -6.768 955 HE ARG 110 HE ARG 110 6.907 -15.689 -5.954 956 HH11 ARG 110 HH11 ARG 110 7.148 -13.939 -8.984 957 HH12 ARG 110 HH12 ARG 110 8.412 -14.962 -9.615 958 HH21 ARG 110 HH21 ARG 110 8.548 -17.050 -6.793 959 HH22 ARG 110 HH22 ARG 110 9.183 -16.748 -8.385 960 H ARG 111 H ARG 111 3.266 -10.614 -3.980 961 HA ARG 111 HA ARG 111 4.822 -11.541 -1.732 962 HB2 ARG 111 HB2 ARG 111 5.329 -9.496 -3.148 963 HB3 ARG 111 HB3 ARG 111 3.981 -8.712 -2.343 964 HG2 ARG 111 HG2 ARG 111 6.044 -8.056 -1.301 965 HG3 ARG 111 HG3 ARG 111 5.108 -9.049 -0.181 966 HD2 ARG 111 HD2 ARG 111 7.525 -9.612 -0.231 967 HD3 ARG 111 HD3 ARG 111 6.473 -10.965 -0.647 968 HE ARG 111 HE ARG 111 7.020 -10.177 -3.059 969 HH11 ARG 111 HH11 ARG 111 9.221 -10.183 -0.339 970 HH12 ARG 111 HH12 ARG 111 10.634 -10.419 -1.331 971 HH21 ARG 111 HH21 ARG 111 8.858 -10.494 -4.364 972 HH22 ARG 111 HH22 ARG 111 10.422 -10.604 -3.616 973 H HIS 112 H HIS 112 1.640 -10.177 -2.308 974 HA HIS 112 HA HIS 112 1.092 -9.368 0.343 975 HB2 HIS 112 HB2 HIS 112 -0.130 -8.864 -1.948 976 HB3 HIS 112 HB3 HIS 112 -1.107 -10.252 -1.483 977 HD1 HIS 112 HD1 HIS 112 -1.646 -6.942 -1.548 978 HD2 HIS 112 HD2 HIS 112 -1.582 -9.576 1.665 979 HE1 HIS 112 HE1 HIS 112 -3.002 -5.837 0.255 980 HE2 HIS 112 HE2 HIS 112 -3.102 -7.532 2.113 981 H CYS 113 H CYS 113 0.351 -12.344 -1.430 982 HA CYS 113 HA CYS 113 -1.218 -13.545 0.586 983 HB2 CYS 113 HB2 CYS 113 -1.212 -14.258 -1.785 984 HB3 CYS 113 HB3 CYS 113 0.420 -14.883 -1.582 985 HG CYS 113 HG CYS 113 -2.221 -16.040 0.255 986 H ARG 114 H ARG 114 2.234 -13.666 -0.136 987 HA ARG 114 HA ARG 114 2.846 -15.681 1.777 988 HB2 ARG 114 HB2 ARG 114 4.611 -13.646 0.406 989 HB3 ARG 114 HB3 ARG 114 5.207 -14.971 1.395 990 HG2 ARG 114 HG2 ARG 114 3.591 -15.275 -1.128 991 HG3 ARG 114 HG3 ARG 114 5.341 -15.462 -1.001 992 HD2 ARG 114 HD2 ARG 114 3.311 -17.116 0.496 993 HD3 ARG 114 HD3 ARG 114 4.124 -17.617 -0.985 994 HE ARG 114 HE ARG 114 5.888 -16.865 1.192 995 HH11 ARG 114 HH11 ARG 114 4.139 -19.472 -0.375 996 HH12 ARG 114 HH12 ARG 114 5.205 -20.707 0.224 997 HH21 ARG 114 HH21 ARG 114 7.268 -18.504 1.998 998 HH22 ARG 114 HH22 ARG 114 6.978 -20.159 1.555 999 H LEU 115 H LEU 115 2.372 -12.277 1.962 1000 HA LEU 115 HA LEU 115 3.743 -11.997 4.494 1001 HB2 LEU 115 HB2 LEU 115 3.725 -10.141 2.891 1002 HB3 LEU 115 HB3 LEU 115 1.975 -10.077 2.978 1003 HG LEU 115 HG LEU 115 2.152 -9.468 5.381 1004 HD11 LEU 115 HD11 LEU 115 5.101 -9.309 4.773 1005 HD12 LEU 115 HD12 LEU 115 4.318 -10.440 5.878 1006 HD13 LEU 115 HD13 LEU 115 4.324 -8.714 6.240 1007 HD21 LEU 115 HD21 LEU 115 3.596 -7.662 3.447 1008 HD22 LEU 115 HD22 LEU 115 2.899 -7.165 4.989 1009 HD23 LEU 115 HD23 LEU 115 1.852 -7.747 3.696 1010 H ALA 116 H ALA 116 0.402 -11.995 3.308 1011 HA ALA 116 HA ALA 116 -0.830 -11.447 5.783 1012 HB1 ALA 116 HB1 ALA 116 -2.895 -12.198 4.716 1013 HB2 ALA 116 HB2 ALA 116 -1.963 -12.885 3.385 1014 HB3 ALA 116 HB3 ALA 116 -1.972 -11.142 3.647 1015 H ARG 117 H ARG 117 0.284 -14.407 4.309 1016 HA ARG 117 HA ARG 117 -0.895 -16.000 6.448 1017 HB2 ARG 117 HB2 ARG 117 0.748 -16.842 4.049 1018 HB3 ARG 117 HB3 ARG 117 -0.010 -17.936 5.201 1019 HG2 ARG 117 HG2 ARG 117 -2.207 -17.096 4.566 1020 HG3 ARG 117 HG3 ARG 117 -1.454 -15.989 3.420 1021 HD2 ARG 117 HD2 ARG 117 -0.556 -17.890 2.174 1022 HD3 ARG 117 HD3 ARG 117 -1.297 -18.999 3.330 1023 HE ARG 117 HE ARG 117 -2.967 -17.114 1.799 1024 HH11 ARG 117 HH11 ARG 117 -2.019 -20.395 2.549 1025 HH12 ARG 117 HH12 ARG 117 -3.434 -21.107 1.841 1026 HH21 ARG 117 HH21 ARG 117 -4.808 -18.018 0.866 1027 HH22 ARG 117 HH22 ARG 117 -5.039 -19.742 0.879 1028 H GLY 118 H GLY 118 0.222 -15.425 8.250 1029 HA2 GLY 118 HA2 GLY 118 2.261 -16.631 9.324 1030 HA3 GLY 118 HA3 GLY 118 3.156 -15.628 8.190 1031 H SER 119 H SER 119 0.296 -14.895 10.150 1032 HA SER 119 HA SER 119 1.875 -12.852 11.566 1033 HB2 SER 119 HB2 SER 119 -0.989 -12.522 10.642 1034 HB3 SER 119 HB3 SER 119 0.024 -11.298 11.404 1035 HG SER 119 HG SER 119 1.322 -12.198 9.281 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -7.986 -7.469 25.635 2 H2 MET 1 H2 MET 1 -9.563 -7.592 26.241 3 H3 MET 1 H3 MET 1 -8.509 -6.406 26.846 4 HA MET 1 HA MET 1 -9.518 -6.546 24.065 5 HB2 MET 1 HB2 MET 1 -11.277 -5.952 25.694 6 HB3 MET 1 HB3 MET 1 -10.259 -4.654 26.311 7 HG2 MET 1 HG2 MET 1 -10.313 -3.602 24.080 8 HG3 MET 1 HG3 MET 1 -11.410 -4.871 23.538 9 HE1 MET 1 HE1 MET 1 -13.793 -1.797 23.725 10 HE2 MET 1 HE2 MET 1 -13.155 -3.100 22.722 11 HE3 MET 1 HE3 MET 1 -12.101 -1.782 23.235 12 H VAL 2 H VAL 2 -8.301 -5.479 22.678 13 HA VAL 2 HA VAL 2 -6.644 -3.258 23.688 14 HB VAL 2 HB VAL 2 -4.963 -3.777 21.954 15 HG11 VAL 2 HG11 VAL 2 -3.968 -5.712 23.063 16 HG12 VAL 2 HG12 VAL 2 -5.514 -6.069 23.835 17 HG13 VAL 2 HG13 VAL 2 -4.649 -4.583 24.235 18 HG21 VAL 2 HG21 VAL 2 -6.558 -6.303 21.523 19 HG22 VAL 2 HG22 VAL 2 -4.992 -5.932 20.802 20 HG23 VAL 2 HG23 VAL 2 -6.410 -4.970 20.381 21 H LYS 3 H LYS 3 -5.998 -1.773 21.826 22 HA LYS 3 HA LYS 3 -7.758 -1.695 19.553 23 HB2 LYS 3 HB2 LYS 3 -9.022 -0.673 21.599 24 HB3 LYS 3 HB3 LYS 3 -7.926 0.684 21.389 25 HG2 LYS 3 HG2 LYS 3 -8.720 0.927 19.065 26 HG3 LYS 3 HG3 LYS 3 -9.875 -0.375 19.350 27 HD2 LYS 3 HD2 LYS 3 -11.045 1.678 19.624 28 HD3 LYS 3 HD3 LYS 3 -10.809 0.996 21.234 29 HE2 LYS 3 HE2 LYS 3 -8.957 2.495 21.639 30 HE3 LYS 3 HE3 LYS 3 -9.053 3.110 19.989 31 HZ1 LYS 3 HZ1 LYS 3 -11.358 3.856 20.549 32 HZ2 LYS 3 HZ2 LYS 3 -10.124 4.673 21.377 33 HZ3 LYS 3 HZ3 LYS 3 -11.030 3.472 22.172 34 H LEU 4 H LEU 4 -7.293 0.478 18.329 35 HA LEU 4 HA LEU 4 -4.416 0.708 18.212 36 HB2 LEU 4 HB2 LEU 4 -6.631 1.839 16.512 37 HB3 LEU 4 HB3 LEU 4 -4.953 2.284 16.281 38 HG LEU 4 HG LEU 4 -5.468 0.620 14.669 39 HD11 LEU 4 HD11 LEU 4 -3.282 0.408 15.726 40 HD12 LEU 4 HD12 LEU 4 -3.914 -1.164 15.233 41 HD13 LEU 4 HD13 LEU 4 -3.965 -0.682 16.930 42 HD21 LEU 4 HD21 LEU 4 -6.480 -1.104 16.926 43 HD22 LEU 4 HD22 LEU 4 -6.357 -1.579 15.233 44 HD23 LEU 4 HD23 LEU 4 -7.475 -0.302 15.710 45 H ALA 5 H ALA 5 -4.347 1.633 20.373 46 HA ALA 5 HA ALA 5 -4.270 4.535 20.195 47 HB1 ALA 5 HB1 ALA 5 -5.738 3.115 22.419 48 HB2 ALA 5 HB2 ALA 5 -6.482 4.081 21.142 49 HB3 ALA 5 HB3 ALA 5 -5.423 4.848 22.327 50 H PHE 6 H PHE 6 -2.055 4.430 20.283 51 HA PHE 6 HA PHE 6 -0.835 3.080 22.579 52 HB2 PHE 6 HB2 PHE 6 0.445 4.282 20.109 53 HB3 PHE 6 HB3 PHE 6 1.298 3.415 21.383 54 HD1 PHE 6 HD2 PHE 6 0.849 0.989 21.719 55 HD2 PHE 6 HD1 PHE 6 -0.666 3.136 18.371 56 HE1 PHE 6 HE2 PHE 6 0.447 -1.135 20.543 57 HE2 PHE 6 HE1 PHE 6 -1.071 1.015 17.190 58 HZ PHE 6 HZ PHE 6 -0.514 -1.122 18.275 59 HA PRO 7 HA PRO 7 -0.992 7.068 24.610 60 HB2 PRO 7 HB2 PRO 7 0.718 6.313 26.666 61 HB3 PRO 7 HB3 PRO 7 -1.032 6.078 26.652 62 HG2 PRO 7 HG2 PRO 7 1.146 4.146 25.975 63 HG3 PRO 7 HG3 PRO 7 -0.372 3.867 26.850 64 HD2 PRO 7 HD2 PRO 7 -0.086 3.119 24.302 65 HD3 PRO 7 HD3 PRO 7 -1.624 3.780 24.894 66 H ARG 8 H ARG 8 1.821 5.497 23.428 67 HA ARG 8 HA ARG 8 3.729 7.474 24.146 68 HB2 ARG 8 HB2 ARG 8 4.890 6.256 22.030 69 HB3 ARG 8 HB3 ARG 8 4.905 5.609 23.665 70 HG2 ARG 8 HG2 ARG 8 3.037 4.164 23.155 71 HG3 ARG 8 HG3 ARG 8 2.888 4.878 21.547 72 HD2 ARG 8 HD2 ARG 8 5.291 3.371 22.573 73 HD3 ARG 8 HD3 ARG 8 4.043 2.702 21.520 74 HE ARG 8 HE ARG 8 4.827 4.828 20.115 75 HH11 ARG 8 HH11 ARG 8 6.684 2.291 21.687 76 HH12 ARG 8 HH12 ARG 8 8.026 2.436 20.597 77 HH21 ARG 8 HH21 ARG 8 6.564 5.019 18.706 78 HH22 ARG 8 HH22 ARG 8 7.971 4.009 18.895 79 H GLU 9 H GLU 9 1.850 6.884 21.173 80 HA GLU 9 HA GLU 9 2.736 9.516 20.193 81 HB2 GLU 9 HB2 GLU 9 1.503 7.155 18.779 82 HB3 GLU 9 HB3 GLU 9 1.623 8.737 18.031 83 HG2 GLU 9 HG2 GLU 9 3.430 7.481 17.219 84 HG3 GLU 9 HG3 GLU 9 4.106 8.599 18.400 85 H LEU 10 H LEU 10 0.439 8.477 22.111 86 HA LEU 10 HA LEU 10 -1.985 9.103 20.770 87 HB2 LEU 10 HB2 LEU 10 -1.722 7.546 22.728 88 HB3 LEU 10 HB3 LEU 10 -1.542 8.960 23.747 89 HG LEU 10 HG LEU 10 -3.816 9.689 23.112 90 HD11 LEU 10 HD11 LEU 10 -3.922 8.623 20.915 91 HD12 LEU 10 HD12 LEU 10 -5.290 8.158 21.927 92 HD13 LEU 10 HD13 LEU 10 -3.951 7.036 21.688 93 HD21 LEU 10 HD21 LEU 10 -3.498 8.394 25.135 94 HD22 LEU 10 HD22 LEU 10 -3.616 6.893 24.218 95 HD23 LEU 10 HD23 LEU 10 -5.021 7.950 24.363 96 H ARG 11 H ARG 11 0.382 11.113 22.120 97 HA ARG 11 HA ARG 11 -1.327 13.242 22.968 98 HB2 ARG 11 HB2 ARG 11 1.124 12.946 23.622 99 HB3 ARG 11 HB3 ARG 11 1.525 13.555 22.020 100 HG2 ARG 11 HG2 ARG 11 -0.047 15.529 22.709 101 HG3 ARG 11 HG3 ARG 11 0.310 14.971 24.342 102 HD2 ARG 11 HD2 ARG 11 2.359 15.744 22.272 103 HD3 ARG 11 HD3 ARG 11 1.812 16.769 23.593 104 HE ARG 11 HE ARG 11 3.096 14.179 24.167 105 HH11 ARG 11 HH11 ARG 11 2.981 17.663 24.433 106 HH12 ARG 11 HH12 ARG 11 4.351 17.772 25.494 107 HH21 ARG 11 HH21 ARG 11 4.895 14.299 25.587 108 HH22 ARG 11 HH22 ARG 11 5.452 15.852 26.139 109 H LEU 12 H LEU 12 -0.103 12.110 19.953 110 HA LEU 12 HA LEU 12 -0.690 14.584 18.545 111 HB2 LEU 12 HB2 LEU 12 0.179 11.898 17.460 112 HB3 LEU 12 HB3 LEU 12 0.094 13.394 16.552 113 HG LEU 12 HG LEU 12 1.957 12.882 18.872 114 HD11 LEU 12 HD11 LEU 12 3.718 12.836 17.176 115 HD12 LEU 12 HD12 LEU 12 2.501 12.971 15.906 116 HD13 LEU 12 HD13 LEU 12 2.551 11.536 16.931 117 HD21 LEU 12 HD21 LEU 12 1.324 15.235 18.637 118 HD22 LEU 12 HD22 LEU 12 1.807 15.193 16.941 119 HD23 LEU 12 HD23 LEU 12 3.014 14.969 18.208 120 H LEU 13 H LEU 13 -2.917 14.758 18.879 121 HA LEU 13 HA LEU 13 -4.671 12.608 18.201 122 HB2 LEU 13 HB2 LEU 13 -6.426 14.524 18.436 123 HB3 LEU 13 HB3 LEU 13 -5.616 13.878 19.847 124 HG LEU 13 HG LEU 13 -3.961 15.884 19.453 125 HD11 LEU 13 HD11 LEU 13 -5.066 17.870 18.582 126 HD12 LEU 13 HD12 LEU 13 -6.474 16.905 18.139 127 HD13 LEU 13 HD13 LEU 13 -4.927 16.626 17.339 128 HD21 LEU 13 HD21 LEU 13 -6.726 16.225 20.601 129 HD22 LEU 13 HD22 LEU 13 -5.333 17.247 20.947 130 HD23 LEU 13 HD23 LEU 13 -5.324 15.553 21.433 131 H THR 14 H THR 14 -5.105 12.000 16.229 132 HA THR 14 HA THR 14 -6.019 13.875 14.268 133 HB THR 14 HB THR 14 -3.649 14.146 13.854 134 HG1 THR 14 HG1 THR 14 -4.828 14.138 11.964 135 HG21 THR 14 HG21 THR 14 -3.531 11.149 13.517 136 HG22 THR 14 HG22 THR 14 -2.813 12.072 14.837 137 HG23 THR 14 HG23 THR 14 -2.212 12.272 13.191 138 HA PRO 15 HA PRO 15 -8.146 10.071 13.278 139 HB2 PRO 15 HB2 PRO 15 -9.506 11.409 11.132 140 HB3 PRO 15 HB3 PRO 15 -10.130 11.005 12.732 141 HG2 PRO 15 HG2 PRO 15 -9.678 13.572 11.835 142 HG3 PRO 15 HG3 PRO 15 -9.741 13.099 13.541 143 HD2 PRO 15 HD2 PRO 15 -7.365 13.587 11.792 144 HD3 PRO 15 HD3 PRO 15 -7.615 13.996 13.504 145 H SER 16 H SER 16 -5.676 11.345 11.661 146 HA SER 16 HA SER 16 -6.055 10.120 9.072 147 HB2 SER 16 HB2 SER 16 -4.822 12.198 9.146 148 HB3 SER 16 HB3 SER 16 -3.701 11.544 10.338 149 HG SER 16 HG SER 16 -2.588 11.205 8.559 150 H GLN 17 H GLN 17 -5.911 7.978 8.913 151 HA GLN 17 HA GLN 17 -4.348 6.366 10.664 152 HB2 GLN 17 HB2 GLN 17 -4.830 4.520 9.093 153 HB3 GLN 17 HB3 GLN 17 -6.279 5.393 9.563 154 HG2 GLN 17 HG2 GLN 17 -4.864 6.118 7.037 155 HG3 GLN 17 HG3 GLN 17 -5.911 4.701 7.090 156 HE21 GLN 17 HE21 GLN 17 -8.101 4.954 7.344 157 HE22 GLN 17 HE22 GLN 17 -8.888 6.486 7.150 158 H PHE 18 H PHE 18 -3.725 8.092 7.755 159 HA PHE 18 HA PHE 18 -1.469 6.699 6.820 160 HB2 PHE 18 HB2 PHE 18 -2.043 9.664 6.582 161 HB3 PHE 18 HB3 PHE 18 -0.946 8.728 5.570 162 HD1 PHE 18 HD1 PHE 18 -1.908 6.917 4.104 163 HD2 PHE 18 HD2 PHE 18 -4.322 9.817 6.074 164 HE1 PHE 18 HE1 PHE 18 -3.756 6.425 2.554 165 HE2 PHE 18 HE2 PHE 18 -6.172 9.332 4.526 166 HZ PHE 18 HZ PHE 18 -5.892 7.635 2.764 167 H THR 19 H THR 19 -1.899 9.135 9.291 168 HA THR 19 HA THR 19 0.929 9.456 9.750 169 HB THR 19 HB THR 19 -1.313 10.361 11.563 170 HG1 THR 19 HG1 THR 19 -1.084 12.374 10.264 171 HG21 THR 19 HG21 THR 19 1.451 11.467 11.031 172 HG22 THR 19 HG22 THR 19 0.960 10.562 12.463 173 HG23 THR 19 HG23 THR 19 0.265 12.150 12.143 174 H PHE 20 H PHE 20 -1.621 7.405 10.841 175 HA PHE 20 HA PHE 20 -0.361 6.649 13.318 176 HB2 PHE 20 HB2 PHE 20 -2.875 6.635 12.798 177 HB3 PHE 20 HB3 PHE 20 -2.565 5.149 11.908 178 HD1 PHE 20 HD1 PHE 20 -1.865 3.111 13.094 179 HD2 PHE 20 HD2 PHE 20 -2.852 6.689 15.178 180 HE1 PHE 20 HE1 PHE 20 -2.060 1.834 15.187 181 HE2 PHE 20 HE2 PHE 20 -3.040 5.420 17.276 182 HZ PHE 20 HZ PHE 20 -2.643 2.991 17.281 183 H VAL 21 H VAL 21 -0.618 5.370 10.045 184 HA VAL 21 HA VAL 21 0.708 2.908 10.644 185 HB VAL 21 HB VAL 21 0.803 2.520 8.265 186 HG11 VAL 21 HG11 VAL 21 -1.559 2.667 7.697 187 HG12 VAL 21 HG12 VAL 21 -1.810 3.833 8.995 188 HG13 VAL 21 HG13 VAL 21 -1.344 2.177 9.378 189 HG21 VAL 21 HG21 VAL 21 -0.070 5.389 7.926 190 HG22 VAL 21 HG22 VAL 21 0.072 4.200 6.632 191 HG23 VAL 21 HG23 VAL 21 1.508 4.720 7.513 192 H PHE 22 H PHE 22 1.719 6.118 9.889 193 HA PHE 22 HA PHE 22 4.324 5.532 8.910 194 HB2 PHE 22 HB2 PHE 22 3.071 7.686 8.564 195 HB3 PHE 22 HB3 PHE 22 3.376 8.074 10.252 196 HD1 PHE 22 HD1 PHE 22 4.983 7.492 6.980 197 HD2 PHE 22 HD2 PHE 22 5.455 8.969 10.943 198 HE1 PHE 22 HE1 PHE 22 7.134 8.502 6.344 199 HE2 PHE 22 HE2 PHE 22 7.608 9.978 10.312 200 HZ PHE 22 HZ PHE 22 8.447 9.745 8.011 201 H GLN 23 H GLN 23 2.920 5.468 11.992 202 HA GLN 23 HA GLN 23 5.132 6.098 13.622 203 HB2 GLN 23 HB2 GLN 23 2.686 4.404 14.101 204 HB3 GLN 23 HB3 GLN 23 3.866 4.768 15.353 205 HG2 GLN 23 HG2 GLN 23 3.335 7.034 15.369 206 HG3 GLN 23 HG3 GLN 23 2.537 6.954 13.800 207 HE21 GLN 23 HE21 GLN 23 0.700 7.947 14.665 208 HE22 GLN 23 HE22 GLN 23 -0.405 7.090 15.683 209 H GLN 24 H GLN 24 4.202 3.199 11.923 210 HA GLN 24 HA GLN 24 6.793 2.076 12.144 211 HB2 GLN 24 HB2 GLN 24 5.875 1.534 14.419 212 HB3 GLN 24 HB3 GLN 24 4.620 0.585 13.634 213 HG2 GLN 24 HG2 GLN 24 6.353 -0.867 12.669 214 HG3 GLN 24 HG3 GLN 24 7.583 0.062 13.525 215 HE21 GLN 24 HE21 GLN 24 8.281 -1.661 14.740 216 HE22 GLN 24 HE22 GLN 24 7.340 -2.360 16.007 217 HA PRO 25 HA PRO 25 4.130 0.612 8.704 218 HB2 PRO 25 HB2 PRO 25 5.462 1.735 6.661 219 HB3 PRO 25 HB3 PRO 25 4.324 2.650 7.654 220 HG2 PRO 25 HG2 PRO 25 7.284 2.724 7.622 221 HG3 PRO 25 HG3 PRO 25 6.129 3.995 8.052 222 HD2 PRO 25 HD2 PRO 25 7.585 2.315 9.823 223 HD3 PRO 25 HD3 PRO 25 6.308 3.473 10.244 224 H GLN 26 H GLN 26 4.386 -1.382 7.919 225 HA GLN 26 HA GLN 26 7.030 -2.527 7.675 226 HB2 GLN 26 HB2 GLN 26 5.809 -4.600 7.029 227 HB3 GLN 26 HB3 GLN 26 5.333 -3.958 8.594 228 HG2 GLN 26 HG2 GLN 26 3.355 -2.927 7.500 229 HG3 GLN 26 HG3 GLN 26 3.813 -3.748 6.006 230 HE21 GLN 26 HE21 GLN 26 1.418 -4.017 7.683 231 HE22 GLN 26 HE22 GLN 26 1.326 -5.694 8.120 232 H ARG 27 H ARG 27 8.028 -3.121 5.795 233 HA ARG 27 HA ARG 27 7.151 -1.560 3.485 234 HB2 ARG 27 HB2 ARG 27 9.489 -1.440 4.649 235 HB3 ARG 27 HB3 ARG 27 9.823 -2.910 3.751 236 HG2 ARG 27 HG2 ARG 27 8.971 -0.317 2.479 237 HG3 ARG 27 HG3 ARG 27 10.647 -0.816 2.689 238 HD2 ARG 27 HD2 ARG 27 8.532 -2.205 1.056 239 HD3 ARG 27 HD3 ARG 27 9.929 -1.320 0.447 240 HE ARG 27 HE ARG 27 10.545 -3.563 2.176 241 HH11 ARG 27 HH11 ARG 27 10.219 -2.371 -1.102 242 HH12 ARG 27 HH12 ARG 27 10.978 -3.767 -1.816 243 HH21 ARG 27 HH21 ARG 27 11.568 -5.378 1.243 244 HH22 ARG 27 HH22 ARG 27 11.748 -5.471 -0.479 245 H ALA 28 H ALA 28 5.978 -2.663 2.041 246 HA ALA 28 HA ALA 28 7.031 -5.250 1.121 247 HB1 ALA 28 HB1 ALA 28 4.769 -6.138 0.906 248 HB2 ALA 28 HB2 ALA 28 4.109 -4.654 1.591 249 HB3 ALA 28 HB3 ALA 28 5.115 -5.711 2.581 250 H GLY 29 H GLY 29 6.996 -5.543 -1.074 251 HA2 GLY 29 HA2 GLY 29 5.673 -5.063 -3.146 252 HA3 GLY 29 HA3 GLY 29 5.738 -3.378 -2.652 253 H THR 30 H THR 30 6.900 -2.443 -4.210 254 HA THR 30 HA THR 30 9.626 -3.466 -4.653 255 HB THR 30 HB THR 30 9.438 -2.700 -7.032 256 HG1 THR 30 HG1 THR 30 6.628 -2.723 -6.633 257 HG21 THR 30 HG21 THR 30 8.154 -4.626 -7.827 258 HG22 THR 30 HG22 THR 30 7.479 -4.850 -6.213 259 HG23 THR 30 HG23 THR 30 9.208 -5.071 -6.485 260 HA PRO 31 HA PRO 31 10.994 0.679 -3.934 261 HB2 PRO 31 HB2 PRO 31 12.853 1.109 -5.892 262 HB3 PRO 31 HB3 PRO 31 13.141 0.101 -4.468 263 HG2 PRO 31 HG2 PRO 31 12.373 -0.716 -7.244 264 HG3 PRO 31 HG3 PRO 31 13.575 -1.439 -6.158 265 HD2 PRO 31 HD2 PRO 31 11.134 -2.519 -6.487 266 HD3 PRO 31 HD3 PRO 31 11.968 -2.559 -4.922 267 H GLN 32 H GLN 32 9.379 -0.069 -6.813 268 HA GLN 32 HA GLN 32 9.290 2.722 -7.700 269 HB2 GLN 32 HB2 GLN 32 9.739 0.865 -9.349 270 HB3 GLN 32 HB3 GLN 32 8.100 0.298 -9.063 271 HG2 GLN 32 HG2 GLN 32 8.201 1.612 -11.087 272 HG3 GLN 32 HG3 GLN 32 7.218 2.426 -9.872 273 HE21 GLN 32 HE21 GLN 32 7.507 4.426 -10.856 274 HE22 GLN 32 HE22 GLN 32 9.000 5.288 -10.777 275 H ILE 33 H ILE 33 7.324 0.147 -6.388 276 HA ILE 33 HA ILE 33 5.371 2.140 -5.578 277 HB ILE 33 HB ILE 33 4.293 1.328 -7.545 278 HG12 ILE 33 HG12 ILE 33 3.114 -0.114 -5.163 279 HG13 ILE 33 HG13 ILE 33 2.868 1.586 -5.549 280 HG21 ILE 33 HG21 ILE 33 4.822 -1.463 -6.545 281 HG22 ILE 33 HG22 ILE 33 5.558 -0.685 -7.947 282 HG23 ILE 33 HG23 ILE 33 3.834 -1.055 -7.947 283 HD11 ILE 33 HD11 ILE 33 1.765 0.938 -7.634 284 HD12 ILE 33 HD12 ILE 33 0.957 0.272 -6.217 285 HD13 ILE 33 HD13 ILE 33 1.986 -0.760 -7.213 286 H THR 34 H THR 34 5.439 2.013 -3.468 287 HA THR 34 HA THR 34 5.997 -0.597 -2.221 288 HB THR 34 HB THR 34 6.579 2.157 -1.114 289 HG1 THR 34 HG1 THR 34 7.870 0.740 -2.989 290 HG21 THR 34 HG21 THR 34 7.465 -0.584 -0.203 291 HG22 THR 34 HG22 THR 34 6.278 0.439 0.605 292 HG23 THR 34 HG23 THR 34 7.963 0.952 0.507 293 H ILE 35 H ILE 35 4.570 -1.408 -0.814 294 HA ILE 35 HA ILE 35 2.299 0.270 -0.018 295 HB ILE 35 HB ILE 35 2.618 -2.741 -0.000 296 HG12 ILE 35 HG12 ILE 35 0.549 -2.519 -1.518 297 HG13 ILE 35 HG13 ILE 35 0.983 -0.820 -1.656 298 HG21 ILE 35 HG21 ILE 35 0.288 -1.079 0.951 299 HG22 ILE 35 HG22 ILE 35 1.355 -2.058 1.958 300 HG23 ILE 35 HG23 ILE 35 0.292 -2.836 0.785 301 HD11 ILE 35 HD11 ILE 35 3.150 -1.462 -2.598 302 HD12 ILE 35 HD12 ILE 35 1.801 -2.085 -3.549 303 HD13 ILE 35 HD13 ILE 35 2.691 -3.161 -2.474 304 H LEU 36 H LEU 36 2.341 1.104 1.937 305 HA LEU 36 HA LEU 36 3.902 -0.250 4.047 306 HB2 LEU 36 HB2 LEU 36 3.479 2.719 3.664 307 HB3 LEU 36 HB3 LEU 36 4.346 1.980 4.995 308 HG LEU 36 HG LEU 36 5.197 1.806 2.103 309 HD11 LEU 36 HD11 LEU 36 6.260 3.552 4.322 310 HD12 LEU 36 HD12 LEU 36 5.309 4.104 2.944 311 HD13 LEU 36 HD13 LEU 36 6.915 3.424 2.689 312 HD21 LEU 36 HD21 LEU 36 7.315 1.019 3.059 313 HD22 LEU 36 HD22 LEU 36 5.976 -0.061 3.444 314 HD23 LEU 36 HD23 LEU 36 6.591 1.049 4.669 315 H GLY 37 H GLY 37 3.100 0.222 6.267 316 HA2 GLY 37 HA2 GLY 37 1.067 1.648 7.161 317 HA3 GLY 37 HA3 GLY 37 0.189 0.410 6.276 318 H ARG 38 H ARG 38 -0.257 0.793 8.904 319 HA ARG 38 HA ARG 38 0.111 -1.864 9.870 320 HB2 ARG 38 HB2 ARG 38 1.309 -1.465 11.857 321 HB3 ARG 38 HB3 ARG 38 2.221 -0.596 10.632 322 HG2 ARG 38 HG2 ARG 38 1.394 1.499 11.368 323 HG3 ARG 38 HG3 ARG 38 0.176 0.734 12.393 324 HD2 ARG 38 HD2 ARG 38 2.076 -0.301 13.680 325 HD3 ARG 38 HD3 ARG 38 3.163 0.741 12.764 326 HE ARG 38 HE ARG 38 1.457 2.529 13.788 327 HH11 ARG 38 HH11 ARG 38 3.148 -0.166 15.229 328 HH12 ARG 38 HH12 ARG 38 3.240 0.545 16.805 329 HH21 ARG 38 HH21 ARG 38 1.584 3.509 15.887 330 HH22 ARG 38 HH22 ARG 38 2.363 2.644 17.171 331 H LEU 39 H LEU 39 -1.504 -2.364 11.352 332 HA LEU 39 HA LEU 39 -2.945 -0.410 12.801 333 HB2 LEU 39 HB2 LEU 39 -3.757 -0.080 10.388 334 HB3 LEU 39 HB3 LEU 39 -4.533 -1.643 10.553 335 HG LEU 39 HG LEU 39 -5.818 -0.729 12.497 336 HD11 LEU 39 HD11 LEU 39 -5.919 1.704 12.762 337 HD12 LEU 39 HD12 LEU 39 -4.628 1.885 11.573 338 HD13 LEU 39 HD13 LEU 39 -4.307 1.078 13.108 339 HD21 LEU 39 HD21 LEU 39 -7.371 0.562 11.124 340 HD22 LEU 39 HD22 LEU 39 -6.797 -0.869 10.269 341 HD23 LEU 39 HD23 LEU 39 -6.140 0.718 9.871 342 H ASN 40 H ASN 40 -4.927 -2.834 11.458 343 HA ASN 40 HA ASN 40 -4.269 -5.112 12.906 344 HB2 ASN 40 HB2 ASN 40 -4.754 -3.648 14.892 345 HB3 ASN 40 HB3 ASN 40 -6.403 -3.462 14.300 346 HD21 ASN 40 HD21 ASN 40 -7.284 -4.402 16.119 347 HD22 ASN 40 HD22 ASN 40 -7.175 -6.100 16.438 348 H SER 41 H SER 41 -5.956 -6.737 12.716 349 HA SER 41 HA SER 41 -7.575 -6.393 10.398 350 HB2 SER 41 HB2 SER 41 -7.612 -8.624 12.451 351 HB3 SER 41 HB3 SER 41 -8.306 -8.689 10.829 352 HG SER 41 HG SER 41 -5.765 -9.148 11.605 353 H LEU 42 H LEU 42 -8.886 -4.610 10.939 354 HA LEU 42 HA LEU 42 -10.778 -4.938 13.147 355 HB2 LEU 42 HB2 LEU 42 -10.198 -2.564 11.374 356 HB3 LEU 42 HB3 LEU 42 -11.342 -2.567 12.702 357 HG LEU 42 HG LEU 42 -8.360 -2.966 12.951 358 HD11 LEU 42 HD11 LEU 42 -10.114 -0.622 13.666 359 HD12 LEU 42 HD12 LEU 42 -8.934 -0.683 12.358 360 HD13 LEU 42 HD13 LEU 42 -8.396 -0.770 14.035 361 HD21 LEU 42 HD21 LEU 42 -10.491 -2.731 15.073 362 HD22 LEU 42 HD22 LEU 42 -8.751 -2.820 15.354 363 HD23 LEU 42 HD23 LEU 42 -9.602 -4.197 14.653 364 H GLY 43 H GLY 43 -10.620 -5.622 9.908 365 HA2 GLY 43 HA2 GLY 43 -12.290 -6.390 8.495 366 HA3 GLY 43 HA3 GLY 43 -13.477 -5.951 9.716 367 H HIS 44 H HIS 44 -11.139 -3.631 8.639 368 HA HIS 44 HA HIS 44 -13.144 -2.348 6.928 369 HB2 HIS 44 HB2 HIS 44 -13.330 -1.338 9.175 370 HB3 HIS 44 HB3 HIS 44 -11.617 -0.945 9.134 371 HD1 HIS 44 HD1 HIS 44 -14.821 -0.088 7.281 372 HD2 HIS 44 HD2 HIS 44 -11.055 1.503 8.069 373 HE1 HIS 44 HE1 HIS 44 -14.879 2.265 6.395 374 HE2 HIS 44 HE2 HIS 44 -12.679 3.276 7.091 375 HA PRO 45 HA PRO 45 -9.068 -2.126 4.903 376 HB2 PRO 45 HB2 PRO 45 -9.764 -3.272 2.581 377 HB3 PRO 45 HB3 PRO 45 -9.420 -4.226 4.026 378 HG2 PRO 45 HG2 PRO 45 -12.014 -3.627 2.734 379 HG3 PRO 45 HG3 PRO 45 -11.545 -5.016 3.725 380 HD2 PRO 45 HD2 PRO 45 -13.011 -2.711 4.542 381 HD3 PRO 45 HD3 PRO 45 -12.441 -4.047 5.559 382 H ARG 46 H ARG 46 -8.321 -0.513 3.605 383 HA ARG 46 HA ARG 46 -9.975 0.603 1.521 384 HB2 ARG 46 HB2 ARG 46 -10.485 1.792 3.808 385 HB3 ARG 46 HB3 ARG 46 -8.948 2.594 3.515 386 HG2 ARG 46 HG2 ARG 46 -10.745 3.981 2.718 387 HG3 ARG 46 HG3 ARG 46 -9.814 3.383 1.339 388 HD2 ARG 46 HD2 ARG 46 -11.472 1.684 0.903 389 HD3 ARG 46 HD3 ARG 46 -12.372 2.143 2.347 390 HE ARG 46 HE ARG 46 -12.067 4.328 0.518 391 HH11 ARG 46 HH11 ARG 46 -13.923 1.438 1.171 392 HH12 ARG 46 HH12 ARG 46 -15.343 1.989 0.337 393 HH21 ARG 46 HH21 ARG 46 -13.917 5.077 -0.579 394 HH22 ARG 46 HH22 ARG 46 -15.348 4.086 -0.647 395 H ILE 47 H ILE 47 -8.755 1.628 -0.046 396 HA ILE 47 HA ILE 47 -5.906 1.141 0.145 397 HB ILE 47 HB ILE 47 -6.969 0.410 -1.885 398 HG12 ILE 47 HG12 ILE 47 -5.203 2.830 -2.294 399 HG13 ILE 47 HG13 ILE 47 -4.692 1.151 -2.135 400 HG21 ILE 47 HG21 ILE 47 -8.877 1.914 -1.914 401 HG22 ILE 47 HG22 ILE 47 -8.031 1.950 -3.462 402 HG23 ILE 47 HG23 ILE 47 -7.820 3.269 -2.312 403 HD11 ILE 47 HD11 ILE 47 -6.262 2.335 -4.407 404 HD12 ILE 47 HD12 ILE 47 -5.832 0.633 -4.246 405 HD13 ILE 47 HD13 ILE 47 -4.567 1.848 -4.433 406 H GLY 48 H GLY 48 -4.594 2.628 0.915 407 HA2 GLY 48 HA2 GLY 48 -5.349 5.455 0.724 408 HA3 GLY 48 HA3 GLY 48 -4.117 4.783 1.782 409 H LEU 49 H LEU 49 -4.858 5.193 -1.661 410 HA LEU 49 HA LEU 49 -2.186 4.892 -2.536 411 HB2 LEU 49 HB2 LEU 49 -4.078 4.578 -4.037 412 HB3 LEU 49 HB3 LEU 49 -4.535 6.261 -3.850 413 HG LEU 49 HG LEU 49 -2.405 6.931 -4.927 414 HD11 LEU 49 HD11 LEU 49 -1.049 5.004 -4.389 415 HD12 LEU 49 HD12 LEU 49 -1.113 5.231 -6.137 416 HD13 LEU 49 HD13 LEU 49 -2.081 3.969 -5.376 417 HD21 LEU 49 HD21 LEU 49 -4.418 6.784 -6.251 418 HD22 LEU 49 HD22 LEU 49 -4.158 5.059 -6.508 419 HD23 LEU 49 HD23 LEU 49 -3.037 6.232 -7.198 420 H THR 50 H THR 50 -0.604 6.181 -1.929 421 HA THR 50 HA THR 50 -1.154 9.036 -1.547 422 HB THR 50 HB THR 50 1.274 7.455 -0.676 423 HG1 THR 50 HG1 THR 50 -0.926 7.025 0.319 424 HG21 THR 50 HG21 THR 50 0.318 10.224 0.077 425 HG22 THR 50 HG22 THR 50 1.701 9.855 -0.951 426 HG23 THR 50 HG23 THR 50 1.726 9.401 0.752 427 H VAL 51 H VAL 51 -0.989 9.949 -3.490 428 HA VAL 51 HA VAL 51 1.548 9.608 -4.931 429 HB VAL 51 HB VAL 51 -0.069 8.489 -6.271 430 HG11 VAL 51 HG11 VAL 51 -2.108 9.379 -5.290 431 HG12 VAL 51 HG12 VAL 51 -2.141 9.530 -7.048 432 HG13 VAL 51 HG13 VAL 51 -1.804 10.943 -6.049 433 HG21 VAL 51 HG21 VAL 51 -0.096 9.845 -8.315 434 HG22 VAL 51 HG22 VAL 51 1.475 9.874 -7.513 435 HG23 VAL 51 HG23 VAL 51 0.386 11.254 -7.370 436 H ALA 52 H ALA 52 2.671 11.395 -4.853 437 HA ALA 52 HA ALA 52 1.343 13.947 -4.385 438 HB1 ALA 52 HB1 ALA 52 3.558 14.799 -3.861 439 HB2 ALA 52 HB2 ALA 52 4.287 13.279 -4.378 440 HB3 ALA 52 HB3 ALA 52 3.245 13.317 -2.955 441 H LYS 53 H LYS 53 1.956 15.838 -5.599 442 HA LYS 53 HA LYS 53 1.824 15.442 -8.398 443 HB2 LYS 53 HB2 LYS 53 2.080 17.910 -8.522 444 HB3 LYS 53 HB3 LYS 53 0.834 17.398 -7.394 445 HG2 LYS 53 HG2 LYS 53 2.381 17.756 -5.528 446 HG3 LYS 53 HG3 LYS 53 3.620 18.289 -6.667 447 HD2 LYS 53 HD2 LYS 53 2.273 20.173 -7.328 448 HD3 LYS 53 HD3 LYS 53 0.921 19.600 -6.351 449 HE2 LYS 53 HE2 LYS 53 2.078 21.405 -5.217 450 HE3 LYS 53 HE3 LYS 53 2.270 19.898 -4.326 451 HZ1 LYS 53 HZ1 LYS 53 4.485 19.660 -5.252 452 HZ2 LYS 53 HZ2 LYS 53 4.338 21.149 -4.461 453 HZ3 LYS 53 HZ3 LYS 53 4.291 21.084 -6.152 454 H LYS 54 H LYS 54 4.452 15.337 -6.314 455 HA LYS 54 HA LYS 54 6.390 16.172 -8.325 456 HB2 LYS 54 HB2 LYS 54 8.057 15.711 -6.504 457 HB3 LYS 54 HB3 LYS 54 6.867 16.941 -6.101 458 HG2 LYS 54 HG2 LYS 54 5.593 15.260 -4.832 459 HG3 LYS 54 HG3 LYS 54 6.842 14.070 -5.193 460 HD2 LYS 54 HD2 LYS 54 7.316 16.657 -3.718 461 HD3 LYS 54 HD3 LYS 54 7.057 15.095 -2.940 462 HE2 LYS 54 HE2 LYS 54 9.035 14.213 -4.103 463 HE3 LYS 54 HE3 LYS 54 9.299 15.799 -4.827 464 HZ1 LYS 54 HZ1 LYS 54 9.612 16.734 -2.635 465 HZ2 LYS 54 HZ2 LYS 54 10.686 15.438 -2.862 466 HZ3 LYS 54 HZ3 LYS 54 9.297 15.234 -1.910 467 H ASN 55 H ASN 55 4.754 13.409 -7.367 468 HA ASN 55 HA ASN 55 6.901 11.610 -8.243 469 HB2 ASN 55 HB2 ASN 55 4.359 11.095 -6.689 470 HB3 ASN 55 HB3 ASN 55 5.377 9.804 -7.317 471 HD21 ASN 55 HD21 ASN 55 5.744 9.054 -5.216 472 HD22 ASN 55 HD22 ASN 55 6.834 9.872 -4.136 473 H VAL 56 H VAL 56 3.418 12.137 -8.658 474 HA VAL 56 HA VAL 56 3.727 11.298 -11.465 475 HB VAL 56 HB VAL 56 1.263 10.829 -9.763 476 HG11 VAL 56 HG11 VAL 56 0.485 9.515 -11.685 477 HG12 VAL 56 HG12 VAL 56 1.922 9.999 -12.586 478 HG13 VAL 56 HG13 VAL 56 0.734 11.209 -12.099 479 HG21 VAL 56 HG21 VAL 56 3.298 8.842 -10.770 480 HG22 VAL 56 HG22 VAL 56 1.808 8.451 -9.909 481 HG23 VAL 56 HG23 VAL 56 3.090 9.348 -9.093 482 H ARG 57 H ARG 57 2.956 12.767 -12.928 483 HA ARG 57 HA ARG 57 2.300 15.331 -11.658 484 HB2 ARG 57 HB2 ARG 57 3.383 14.911 -14.439 485 HB3 ARG 57 HB3 ARG 57 3.371 16.395 -13.498 486 HG2 ARG 57 HG2 ARG 57 5.014 15.494 -11.974 487 HG3 ARG 57 HG3 ARG 57 4.965 13.936 -12.805 488 HD2 ARG 57 HD2 ARG 57 5.677 15.136 -14.886 489 HD3 ARG 57 HD3 ARG 57 5.930 16.570 -13.894 490 HE ARG 57 HE ARG 57 7.390 14.606 -12.657 491 HH11 ARG 57 HH11 ARG 57 7.280 16.000 -15.873 492 HH12 ARG 57 HH12 ARG 57 8.964 15.707 -16.194 493 HH21 ARG 57 HH21 ARG 57 9.593 14.190 -13.089 494 HH22 ARG 57 HH22 ARG 57 10.277 14.650 -14.621 495 H ARG 58 H ARG 58 1.629 13.643 -14.741 496 HA ARG 58 HA ARG 58 -0.275 15.623 -15.510 497 HB2 ARG 58 HB2 ARG 58 0.236 12.886 -16.700 498 HB3 ARG 58 HB3 ARG 58 -0.748 14.140 -17.434 499 HG2 ARG 58 HG2 ARG 58 1.309 14.234 -18.558 500 HG3 ARG 58 HG3 ARG 58 1.357 15.582 -17.420 501 HD2 ARG 58 HD2 ARG 58 2.720 14.324 -15.903 502 HD3 ARG 58 HD3 ARG 58 2.549 12.872 -16.880 503 HE ARG 58 HE ARG 58 3.775 15.095 -18.253 504 HH11 ARG 58 HH11 ARG 58 4.239 12.187 -16.342 505 HH12 ARG 58 HH12 ARG 58 5.931 12.048 -16.735 506 HH21 ARG 58 HH21 ARG 58 6.013 14.904 -18.772 507 HH22 ARG 58 HH22 ARG 58 6.921 13.568 -18.122 508 H ALA 59 H ALA 59 -2.499 15.493 -15.656 509 HA ALA 59 HA ALA 59 -3.832 14.140 -13.580 510 HB1 ALA 59 HB1 ALA 59 -4.642 16.234 -14.572 511 HB2 ALA 59 HB2 ALA 59 -5.884 14.983 -14.578 512 HB3 ALA 59 HB3 ALA 59 -5.020 15.377 -16.066 513 H HIS 60 H HIS 60 -3.363 13.394 -16.985 514 HA HIS 60 HA HIS 60 -5.175 11.233 -17.132 515 HB2 HIS 60 HB2 HIS 60 -4.172 12.380 -19.105 516 HB3 HIS 60 HB3 HIS 60 -2.632 11.622 -18.725 517 HD1 HIS 60 HD1 HIS 60 -5.981 10.931 -20.219 518 HD2 HIS 60 HD2 HIS 60 -2.471 8.872 -19.325 519 HE1 HIS 60 HE1 HIS 60 -6.156 8.727 -21.426 520 HE2 HIS 60 HE2 HIS 60 -3.972 7.546 -20.969 521 H GLU 61 H GLU 61 -1.795 11.453 -16.150 522 HA GLU 61 HA GLU 61 -1.304 8.683 -15.889 523 HB2 GLU 61 HB2 GLU 61 -0.101 10.965 -14.313 524 HB3 GLU 61 HB3 GLU 61 0.535 9.332 -14.394 525 HG2 GLU 61 HG2 GLU 61 0.951 9.624 -16.784 526 HG3 GLU 61 HG3 GLU 61 0.345 11.280 -16.677 527 H ARG 62 H ARG 62 -2.145 11.150 -13.484 528 HA ARG 62 HA ARG 62 -2.279 9.388 -11.303 529 HB2 ARG 62 HB2 ARG 62 -3.435 12.134 -11.746 530 HB3 ARG 62 HB3 ARG 62 -3.572 11.280 -10.214 531 HG2 ARG 62 HG2 ARG 62 -1.162 11.194 -10.005 532 HG3 ARG 62 HG3 ARG 62 -0.973 11.962 -11.580 533 HD2 ARG 62 HD2 ARG 62 -2.397 13.231 -9.251 534 HD3 ARG 62 HD3 ARG 62 -0.687 13.476 -9.606 535 HE ARG 62 HE ARG 62 -1.459 14.392 -11.796 536 HH11 ARG 62 HH11 ARG 62 -3.577 14.379 -9.011 537 HH12 ARG 62 HH12 ARG 62 -4.480 15.778 -9.526 538 HH21 ARG 62 HH21 ARG 62 -2.641 16.243 -12.475 539 HH22 ARG 62 HH22 ARG 62 -3.947 16.830 -11.493 540 H ASN 63 H ASN 63 -4.664 10.275 -13.692 541 HA ASN 63 HA ASN 63 -6.888 9.100 -12.368 542 HB2 ASN 63 HB2 ASN 63 -7.255 10.651 -14.197 543 HB3 ASN 63 HB3 ASN 63 -6.376 9.603 -15.309 544 HD21 ASN 63 HD21 ASN 63 -9.303 9.974 -13.425 545 HD22 ASN 63 HD22 ASN 63 -10.241 8.822 -14.317 546 H ARG 64 H ARG 64 -4.573 7.893 -14.772 547 HA ARG 64 HA ARG 64 -5.663 5.301 -15.016 548 HB2 ARG 64 HB2 ARG 64 -2.918 6.428 -15.538 549 HB3 ARG 64 HB3 ARG 64 -3.281 4.727 -15.791 550 HG2 ARG 64 HG2 ARG 64 -4.763 6.983 -17.127 551 HG3 ARG 64 HG3 ARG 64 -3.402 6.119 -17.847 552 HD2 ARG 64 HD2 ARG 64 -6.026 4.906 -16.984 553 HD3 ARG 64 HD3 ARG 64 -5.527 5.225 -18.644 554 HE ARG 64 HE ARG 64 -3.545 3.642 -17.755 555 HH11 ARG 64 HH11 ARG 64 -7.039 3.326 -17.778 556 HH12 ARG 64 HH12 ARG 64 -7.014 1.588 -17.680 557 HH21 ARG 64 HH21 ARG 64 -3.509 1.361 -17.639 558 HH22 ARG 64 HH22 ARG 64 -5.002 0.473 -17.556 559 H ILE 65 H ILE 65 -3.196 6.645 -12.868 560 HA ILE 65 HA ILE 65 -2.376 4.246 -11.665 561 HB ILE 65 HB ILE 65 -2.469 7.015 -10.446 562 HG12 ILE 65 HG12 ILE 65 -1.140 6.928 -12.498 563 HG13 ILE 65 HG13 ILE 65 -0.094 7.129 -11.097 564 HG21 ILE 65 HG21 ILE 65 -2.258 5.314 -8.722 565 HG22 ILE 65 HG22 ILE 65 -0.744 6.199 -8.906 566 HG23 ILE 65 HG23 ILE 65 -0.907 4.582 -9.588 567 HD11 ILE 65 HD11 ILE 65 -0.588 4.556 -12.579 568 HD12 ILE 65 HD12 ILE 65 0.457 4.753 -11.173 569 HD13 ILE 65 HD13 ILE 65 0.854 5.563 -12.688 570 H LYS 66 H LYS 66 -5.097 6.378 -10.972 571 HA LYS 66 HA LYS 66 -5.854 4.951 -8.595 572 HB2 LYS 66 HB2 LYS 66 -7.235 7.084 -10.212 573 HB3 LYS 66 HB3 LYS 66 -7.987 6.318 -8.821 574 HG2 LYS 66 HG2 LYS 66 -5.978 7.050 -7.483 575 HG3 LYS 66 HG3 LYS 66 -5.516 8.023 -8.880 576 HD2 LYS 66 HD2 LYS 66 -8.163 8.235 -7.446 577 HD3 LYS 66 HD3 LYS 66 -6.779 9.287 -7.148 578 HE2 LYS 66 HE2 LYS 66 -8.188 8.969 -9.797 579 HE3 LYS 66 HE3 LYS 66 -8.441 10.297 -8.666 580 HZ1 LYS 66 HZ1 LYS 66 -6.915 10.996 -10.346 581 HZ2 LYS 66 HZ2 LYS 66 -5.934 9.638 -10.107 582 HZ3 LYS 66 HZ3 LYS 66 -6.049 10.819 -8.898 583 H ARG 67 H ARG 67 -6.043 4.124 -11.782 584 HA ARG 67 HA ARG 67 -8.523 2.598 -11.414 585 HB2 ARG 67 HB2 ARG 67 -6.765 2.869 -13.863 586 HB3 ARG 67 HB3 ARG 67 -8.291 2.003 -13.789 587 HG2 ARG 67 HG2 ARG 67 -9.436 4.128 -13.274 588 HG3 ARG 67 HG3 ARG 67 -7.894 4.969 -13.467 589 HD2 ARG 67 HD2 ARG 67 -7.747 4.082 -15.768 590 HD3 ARG 67 HD3 ARG 67 -9.340 3.359 -15.565 591 HE ARG 67 HE ARG 67 -8.908 6.273 -15.382 592 HH11 ARG 67 HH11 ARG 67 -10.653 3.484 -16.594 593 HH12 ARG 67 HH12 ARG 67 -11.767 4.439 -17.525 594 HH21 ARG 67 HH21 ARG 67 -10.386 7.524 -16.629 595 HH22 ARG 67 HH22 ARG 67 -11.624 6.715 -17.545 596 H LEU 68 H LEU 68 -5.067 2.252 -11.868 597 HA LEU 68 HA LEU 68 -5.078 -0.585 -12.152 598 HB2 LEU 68 HB2 LEU 68 -3.292 1.083 -12.912 599 HB3 LEU 68 HB3 LEU 68 -2.763 1.124 -11.246 600 HG LEU 68 HG LEU 68 -1.431 -0.356 -12.780 601 HD11 LEU 68 HD11 LEU 68 -1.341 -0.625 -10.355 602 HD12 LEU 68 HD12 LEU 68 -1.196 -2.174 -11.188 603 HD13 LEU 68 HD13 LEU 68 -2.722 -1.721 -10.428 604 HD21 LEU 68 HD21 LEU 68 -3.277 -1.253 -14.088 605 HD22 LEU 68 HD22 LEU 68 -3.901 -2.075 -12.658 606 HD23 LEU 68 HD23 LEU 68 -2.343 -2.547 -13.337 607 H THR 69 H THR 69 -4.067 1.547 -9.479 608 HA THR 69 HA THR 69 -3.535 -0.599 -7.706 609 HB THR 69 HB THR 69 -3.440 1.198 -5.955 610 HG1 THR 69 HG1 THR 69 -3.713 3.076 -8.052 611 HG21 THR 69 HG21 THR 69 -1.447 0.590 -7.207 612 HG22 THR 69 HG22 THR 69 -1.471 2.328 -6.919 613 HG23 THR 69 HG23 THR 69 -1.901 1.691 -8.506 614 H ARG 70 H ARG 70 -6.364 1.340 -8.341 615 HA ARG 70 HA ARG 70 -7.738 0.681 -5.932 616 HB2 ARG 70 HB2 ARG 70 -8.086 2.668 -7.590 617 HB3 ARG 70 HB3 ARG 70 -9.119 1.540 -8.454 618 HG2 ARG 70 HG2 ARG 70 -10.549 1.309 -6.517 619 HG3 ARG 70 HG3 ARG 70 -9.478 2.349 -5.573 620 HD2 ARG 70 HD2 ARG 70 -9.894 4.133 -7.318 621 HD3 ARG 70 HD3 ARG 70 -11.172 3.095 -7.947 622 HE ARG 70 HE ARG 70 -11.887 3.266 -5.386 623 HH11 ARG 70 HH11 ARG 70 -10.950 5.738 -7.698 624 HH12 ARG 70 HH12 ARG 70 -11.798 7.005 -6.866 625 HH21 ARG 70 HH21 ARG 70 -13.035 4.943 -4.326 626 HH22 ARG 70 HH22 ARG 70 -12.971 6.559 -4.961 627 H GLU 71 H GLU 71 -7.235 -0.933 -8.921 628 HA GLU 71 HA GLU 71 -9.556 -2.663 -8.514 629 HB2 GLU 71 HB2 GLU 71 -9.112 -1.715 -10.777 630 HB3 GLU 71 HB3 GLU 71 -7.611 -2.629 -10.828 631 HG2 GLU 71 HG2 GLU 71 -8.867 -4.713 -10.671 632 HG3 GLU 71 HG3 GLU 71 -10.374 -3.803 -10.602 633 H SER 72 H SER 72 -6.064 -2.674 -8.313 634 HA SER 72 HA SER 72 -5.729 -5.485 -8.318 635 HB2 SER 72 HB2 SER 72 -3.511 -4.909 -7.203 636 HB3 SER 72 HB3 SER 72 -3.812 -4.166 -8.776 637 HG SER 72 HG SER 72 -3.407 -2.990 -6.375 638 H PHE 73 H PHE 73 -6.062 -3.117 -5.691 639 HA PHE 73 HA PHE 73 -5.966 -5.081 -3.621 640 HB2 PHE 73 HB2 PHE 73 -6.822 -2.194 -3.689 641 HB3 PHE 73 HB3 PHE 73 -6.957 -3.168 -2.230 642 HD1 PHE 73 HD2 PHE 73 -4.546 -1.880 -4.728 643 HD2 PHE 73 HD1 PHE 73 -5.109 -3.536 -0.850 644 HE1 PHE 73 HE2 PHE 73 -2.195 -1.400 -4.185 645 HE2 PHE 73 HE1 PHE 73 -2.761 -3.057 -0.298 646 HZ PHE 73 HZ PHE 73 -1.300 -1.989 -1.970 647 H ARG 74 H ARG 74 -8.302 -4.264 -5.874 648 HA ARG 74 HA ARG 74 -10.538 -5.125 -4.184 649 HB2 ARG 74 HB2 ARG 74 -10.713 -3.001 -5.504 650 HB3 ARG 74 HB3 ARG 74 -10.597 -3.956 -6.975 651 HG2 ARG 74 HG2 ARG 74 -12.654 -5.185 -6.203 652 HG3 ARG 74 HG3 ARG 74 -12.804 -3.966 -4.936 653 HD2 ARG 74 HD2 ARG 74 -12.860 -2.213 -6.667 654 HD3 ARG 74 HD3 ARG 74 -12.778 -3.461 -7.909 655 HE ARG 74 HE ARG 74 -15.066 -2.812 -6.215 656 HH11 ARG 74 HH11 ARG 74 -13.653 -4.997 -8.572 657 HH12 ARG 74 HH12 ARG 74 -15.193 -5.551 -9.155 658 HH21 ARG 74 HH21 ARG 74 -17.070 -3.537 -6.985 659 HH22 ARG 74 HH22 ARG 74 -17.133 -4.764 -8.216 660 H LEU 75 H LEU 75 -8.304 -6.396 -6.264 661 HA LEU 75 HA LEU 75 -9.996 -8.147 -7.782 662 HB2 LEU 75 HB2 LEU 75 -7.844 -7.383 -8.660 663 HB3 LEU 75 HB3 LEU 75 -7.010 -8.169 -7.334 664 HG LEU 75 HG LEU 75 -7.818 -10.365 -8.170 665 HD11 LEU 75 HD11 LEU 75 -8.752 -10.505 -10.422 666 HD12 LEU 75 HD12 LEU 75 -8.809 -8.745 -10.512 667 HD13 LEU 75 HD13 LEU 75 -9.810 -9.602 -9.340 668 HD21 LEU 75 HD21 LEU 75 -5.599 -9.572 -8.764 669 HD22 LEU 75 HD22 LEU 75 -6.261 -8.702 -10.149 670 HD23 LEU 75 HD23 LEU 75 -6.316 -10.466 -10.106 671 H ARG 76 H ARG 76 -7.545 -8.710 -5.259 672 HA ARG 76 HA ARG 76 -9.165 -10.979 -4.344 673 HB2 ARG 76 HB2 ARG 76 -6.170 -10.937 -4.716 674 HB3 ARG 76 HB3 ARG 76 -7.026 -12.178 -3.812 675 HG2 ARG 76 HG2 ARG 76 -8.333 -12.653 -5.903 676 HG3 ARG 76 HG3 ARG 76 -7.222 -11.575 -6.749 677 HD2 ARG 76 HD2 ARG 76 -6.550 -13.920 -6.968 678 HD3 ARG 76 HD3 ARG 76 -5.342 -12.969 -6.105 679 HE ARG 76 HE ARG 76 -6.210 -13.957 -4.035 680 HH11 ARG 76 HH11 ARG 76 -7.014 -15.539 -7.046 681 HH12 ARG 76 HH12 ARG 76 -7.253 -17.096 -6.318 682 HH21 ARG 76 HH21 ARG 76 -6.482 -16.010 -3.059 683 HH22 ARG 76 HH22 ARG 76 -6.921 -17.375 -4.050 684 H GLN 77 H GLN 77 -9.953 -9.391 -2.839 685 HA GLN 77 HA GLN 77 -8.159 -8.163 -0.985 686 HB2 GLN 77 HB2 GLN 77 -10.209 -7.417 0.186 687 HB3 GLN 77 HB3 GLN 77 -10.192 -7.009 -1.521 688 HG2 GLN 77 HG2 GLN 77 -11.566 -9.500 -0.638 689 HG3 GLN 77 HG3 GLN 77 -12.344 -7.944 -0.372 690 HE21 GLN 77 HE21 GLN 77 -11.481 -10.354 -2.688 691 HE22 GLN 77 HE22 GLN 77 -12.255 -9.608 -4.050 692 H HIS 78 H HIS 78 -9.019 -11.304 -1.224 693 HA HIS 78 HA HIS 78 -9.202 -11.791 1.640 694 HB2 HIS 78 HB2 HIS 78 -10.502 -13.165 -0.005 695 HB3 HIS 78 HB3 HIS 78 -8.977 -13.810 -0.602 696 HD1 HIS 78 HD1 HIS 78 -8.983 -16.163 0.162 697 HD2 HIS 78 HD2 HIS 78 -10.134 -13.544 3.181 698 HE1 HIS 78 HE1 HIS 78 -9.196 -17.568 2.238 699 HE2 HIS 78 HE2 HIS 78 -9.748 -15.941 4.076 700 H GLU 79 H GLU 79 -6.823 -11.356 -0.713 701 HA GLU 79 HA GLU 79 -4.762 -12.754 0.831 702 HB2 GLU 79 HB2 GLU 79 -4.341 -11.012 -1.602 703 HB3 GLU 79 HB3 GLU 79 -3.257 -12.229 -0.952 704 HG2 GLU 79 HG2 GLU 79 -5.877 -12.696 -2.347 705 HG3 GLU 79 HG3 GLU 79 -4.264 -13.046 -2.962 706 H LEU 80 H LEU 80 -6.420 -10.229 1.455 707 HA LEU 80 HA LEU 80 -4.191 -8.477 2.233 708 HB2 LEU 80 HB2 LEU 80 -5.354 -7.642 0.192 709 HB3 LEU 80 HB3 LEU 80 -6.857 -7.610 1.091 710 HG LEU 80 HG LEU 80 -5.691 -5.970 2.669 711 HD11 LEU 80 HD11 LEU 80 -3.411 -6.417 1.941 712 HD12 LEU 80 HD12 LEU 80 -3.832 -4.720 1.707 713 HD13 LEU 80 HD13 LEU 80 -3.802 -5.819 0.328 714 HD21 LEU 80 HD21 LEU 80 -6.173 -4.077 1.209 715 HD22 LEU 80 HD22 LEU 80 -7.420 -5.317 1.075 716 HD23 LEU 80 HD23 LEU 80 -6.201 -5.153 -0.189 717 HA PRO 81 HA PRO 81 -6.391 -8.765 6.191 718 HB2 PRO 81 HB2 PRO 81 -4.495 -6.620 6.912 719 HB3 PRO 81 HB3 PRO 81 -4.770 -8.182 7.690 720 HG2 PRO 81 HG2 PRO 81 -2.551 -7.695 6.264 721 HG3 PRO 81 HG3 PRO 81 -3.323 -9.292 6.271 722 HD2 PRO 81 HD2 PRO 81 -3.426 -7.141 4.192 723 HD3 PRO 81 HD3 PRO 81 -3.305 -8.902 3.989 724 H ALA 82 H ALA 82 -8.066 -7.554 6.944 725 HA ALA 82 HA ALA 82 -8.884 -5.364 5.300 726 HB1 ALA 82 HB1 ALA 82 -10.210 -6.485 7.757 727 HB2 ALA 82 HB2 ALA 82 -10.471 -7.044 6.105 728 HB3 ALA 82 HB3 ALA 82 -10.942 -5.408 6.569 729 H MET 83 H MET 83 -7.331 -3.782 5.686 730 HA MET 83 HA MET 83 -8.048 -1.984 7.819 731 HB2 MET 83 HB2 MET 83 -5.868 -1.766 8.806 732 HB3 MET 83 HB3 MET 83 -6.296 -3.470 8.847 733 HG2 MET 83 HG2 MET 83 -4.910 -3.824 6.829 734 HG3 MET 83 HG3 MET 83 -4.424 -2.133 6.907 735 HE1 MET 83 HE1 MET 83 -4.968 -4.823 9.749 736 HE2 MET 83 HE2 MET 83 -3.307 -5.354 10.010 737 HE3 MET 83 HE3 MET 83 -4.107 -5.692 8.475 738 H ASP 84 H ASP 84 -6.348 -0.003 7.599 739 HA ASP 84 HA ASP 84 -6.518 0.826 4.837 740 HB2 ASP 84 HB2 ASP 84 -5.778 2.175 7.406 741 HB3 ASP 84 HB3 ASP 84 -5.296 2.910 5.882 742 H PHE 85 H PHE 85 -4.989 0.422 3.397 743 HA PHE 85 HA PHE 85 -2.204 0.171 4.329 744 HB2 PHE 85 HB2 PHE 85 -3.659 -1.138 2.051 745 HB3 PHE 85 HB3 PHE 85 -1.907 -0.978 2.024 746 HD1 PHE 85 HD1 PHE 85 -0.543 -2.088 3.751 747 HD2 PHE 85 HD2 PHE 85 -4.729 -2.755 3.412 748 HE1 PHE 85 HE1 PHE 85 -0.316 -4.135 5.092 749 HE2 PHE 85 HE2 PHE 85 -4.513 -4.804 4.755 750 HZ PHE 85 HZ PHE 85 -2.306 -5.500 5.596 751 H VAL 86 H VAL 86 -0.688 1.493 3.536 752 HA VAL 86 HA VAL 86 -1.611 3.675 1.824 753 HB VAL 86 HB VAL 86 0.907 3.391 3.476 754 HG11 VAL 86 HG11 VAL 86 1.265 4.804 1.504 755 HG12 VAL 86 HG12 VAL 86 1.306 5.741 2.998 756 HG13 VAL 86 HG13 VAL 86 -0.123 5.789 1.965 757 HG21 VAL 86 HG21 VAL 86 -1.584 5.035 3.904 758 HG22 VAL 86 HG22 VAL 86 -0.128 5.110 4.895 759 HG23 VAL 86 HG23 VAL 86 -1.083 3.629 4.841 760 H VAL 87 H VAL 87 -1.193 3.629 -0.260 761 HA VAL 87 HA VAL 87 0.976 1.919 -1.255 762 HB VAL 87 HB VAL 87 -1.267 3.206 -2.826 763 HG11 VAL 87 HG11 VAL 87 -0.642 1.617 -4.575 764 HG12 VAL 87 HG12 VAL 87 0.677 1.023 -3.565 765 HG13 VAL 87 HG13 VAL 87 0.703 2.682 -4.165 766 HG21 VAL 87 HG21 VAL 87 -2.152 1.608 -1.201 767 HG22 VAL 87 HG22 VAL 87 -1.044 0.376 -1.804 768 HG23 VAL 87 HG23 VAL 87 -2.320 1.002 -2.849 769 H VAL 88 H VAL 88 2.825 3.032 -1.359 770 HA VAL 88 HA VAL 88 2.795 5.863 -2.037 771 HB VAL 88 HB VAL 88 5.142 4.095 -1.317 772 HG11 VAL 88 HG11 VAL 88 4.912 7.100 -1.434 773 HG12 VAL 88 HG12 VAL 88 5.782 6.086 -2.584 774 HG13 VAL 88 HG13 VAL 88 6.328 6.189 -0.909 775 HG21 VAL 88 HG21 VAL 88 5.004 5.159 0.899 776 HG22 VAL 88 HG22 VAL 88 3.567 4.209 0.525 777 HG23 VAL 88 HG23 VAL 88 3.518 5.967 0.404 778 H ALA 89 H ALA 89 2.587 6.238 -4.144 779 HA ALA 89 HA ALA 89 3.920 4.570 -6.113 780 HB1 ALA 89 HB1 ALA 89 2.231 7.047 -6.478 781 HB2 ALA 89 HB2 ALA 89 1.650 5.383 -6.556 782 HB3 ALA 89 HB3 ALA 89 2.792 5.978 -7.761 783 H LYS 90 H LYS 90 5.912 4.980 -6.870 784 HA LYS 90 HA LYS 90 7.297 7.316 -5.917 785 HB2 LYS 90 HB2 LYS 90 8.184 4.986 -7.611 786 HB3 LYS 90 HB3 LYS 90 9.251 6.304 -7.149 787 HG2 LYS 90 HG2 LYS 90 7.781 4.838 -5.019 788 HG3 LYS 90 HG3 LYS 90 9.172 4.070 -5.783 789 HD2 LYS 90 HD2 LYS 90 10.082 5.159 -3.936 790 HD3 LYS 90 HD3 LYS 90 10.410 6.261 -5.271 791 HE2 LYS 90 HE2 LYS 90 8.435 7.582 -4.627 792 HE3 LYS 90 HE3 LYS 90 8.166 6.495 -3.268 793 HZ1 LYS 90 HZ1 LYS 90 10.442 7.113 -2.502 794 HZ2 LYS 90 HZ2 LYS 90 9.322 8.389 -2.470 795 HZ3 LYS 90 HZ3 LYS 90 10.472 8.306 -3.707 796 H LYS 91 H LYS 91 8.942 8.245 -7.628 797 HA LYS 91 HA LYS 91 7.330 9.877 -9.277 798 HB2 LYS 91 HB2 LYS 91 10.337 9.603 -9.262 799 HB3 LYS 91 HB3 LYS 91 9.418 10.939 -9.941 800 HG2 LYS 91 HG2 LYS 91 8.550 11.419 -7.655 801 HG3 LYS 91 HG3 LYS 91 9.642 10.181 -7.035 802 HD2 LYS 91 HD2 LYS 91 10.446 12.671 -8.535 803 HD3 LYS 91 HD3 LYS 91 10.600 12.416 -6.797 804 HE2 LYS 91 HE2 LYS 91 12.143 10.572 -7.197 805 HE3 LYS 91 HE3 LYS 91 11.966 10.790 -8.937 806 HZ1 LYS 91 HZ1 LYS 91 13.106 12.768 -7.038 807 HZ2 LYS 91 HZ2 LYS 91 12.898 13.018 -8.700 808 HZ3 LYS 91 HZ3 LYS 91 13.976 11.830 -8.151 809 H GLY 92 H GLY 92 6.690 9.627 -11.283 810 HA2 GLY 92 HA2 GLY 92 6.662 9.006 -13.497 811 HA3 GLY 92 HA3 GLY 92 8.323 8.466 -13.315 812 H VAL 93 H VAL 93 5.733 7.240 -11.305 813 HA VAL 93 HA VAL 93 6.340 4.551 -11.998 814 HB VAL 93 HB VAL 93 5.442 5.276 -9.778 815 HG11 VAL 93 HG11 VAL 93 3.706 6.792 -10.496 816 HG12 VAL 93 HG12 VAL 93 3.003 5.499 -9.524 817 HG13 VAL 93 HG13 VAL 93 2.839 5.472 -11.279 818 HG21 VAL 93 HG21 VAL 93 4.109 3.286 -9.399 819 HG22 VAL 93 HG22 VAL 93 5.466 2.918 -10.466 820 HG23 VAL 93 HG23 VAL 93 3.845 3.108 -11.134 821 H ALA 94 H ALA 94 4.226 6.898 -13.344 822 HA ALA 94 HA ALA 94 2.531 4.930 -14.660 823 HB1 ALA 94 HB1 ALA 94 2.509 7.943 -14.823 824 HB2 ALA 94 HB2 ALA 94 1.509 6.958 -13.755 825 HB3 ALA 94 HB3 ALA 94 1.297 6.859 -15.503 826 H ASP 95 H ASP 95 5.529 6.131 -15.195 827 HA ASP 95 HA ASP 95 5.254 6.439 -18.092 828 HB2 ASP 95 HB2 ASP 95 6.550 8.128 -16.791 829 HB3 ASP 95 HB3 ASP 95 7.690 6.865 -16.343 830 H LEU 96 H LEU 96 4.837 3.901 -16.934 831 HA LEU 96 HA LEU 96 7.113 2.397 -18.044 832 HB2 LEU 96 HB2 LEU 96 5.218 1.560 -15.842 833 HB3 LEU 96 HB3 LEU 96 6.487 0.560 -16.521 834 HG LEU 96 HG LEU 96 6.951 3.140 -15.020 835 HD11 LEU 96 HD11 LEU 96 7.745 1.713 -13.202 836 HD12 LEU 96 HD12 LEU 96 7.287 0.280 -14.123 837 HD13 LEU 96 HD13 LEU 96 6.047 1.401 -13.565 838 HD21 LEU 96 HD21 LEU 96 9.291 2.398 -14.996 839 HD22 LEU 96 HD22 LEU 96 8.701 2.664 -16.637 840 HD23 LEU 96 HD23 LEU 96 8.858 1.022 -16.011 841 H ASP 97 H ASP 97 6.564 0.483 -19.231 842 HA ASP 97 HA ASP 97 4.241 0.719 -20.837 843 HB2 ASP 97 HB2 ASP 97 6.350 -0.398 -21.571 844 HB3 ASP 97 HB3 ASP 97 6.001 -1.722 -20.462 845 H ASN 98 H ASN 98 2.414 -0.710 -20.943 846 HA ASN 98 HA ASN 98 1.255 -1.146 -18.406 847 HB2 ASN 98 HB2 ASN 98 0.414 -1.825 -21.204 848 HB3 ASN 98 HB3 ASN 98 -0.501 -2.435 -19.831 849 HD21 ASN 98 HD21 ASN 98 1.116 0.652 -19.734 850 HD22 ASN 98 HD22 ASN 98 -0.315 1.617 -19.777 851 H ARG 99 H ARG 99 3.102 -3.184 -20.525 852 HA ARG 99 HA ARG 99 2.479 -5.671 -19.286 853 HB2 ARG 99 HB2 ARG 99 3.655 -5.442 -21.471 854 HB3 ARG 99 HB3 ARG 99 5.055 -4.811 -20.616 855 HG2 ARG 99 HG2 ARG 99 5.086 -6.989 -19.330 856 HG3 ARG 99 HG3 ARG 99 3.908 -7.583 -20.504 857 HD2 ARG 99 HD2 ARG 99 6.699 -6.593 -21.063 858 HD3 ARG 99 HD3 ARG 99 6.112 -8.249 -21.195 859 HE ARG 99 HE ARG 99 5.120 -6.064 -22.925 860 HH11 ARG 99 HH11 ARG 99 6.218 -9.348 -22.434 861 HH12 ARG 99 HH12 ARG 99 6.138 -9.773 -24.120 862 HH21 ARG 99 HH21 ARG 99 5.019 -6.596 -25.151 863 HH22 ARG 99 HH22 ARG 99 5.452 -8.201 -25.670 864 H ALA 100 H ALA 100 5.108 -3.336 -18.856 865 HA ALA 100 HA ALA 100 6.435 -4.629 -16.757 866 HB1 ALA 100 HB1 ALA 100 6.311 -1.674 -17.362 867 HB2 ALA 100 HB2 ALA 100 7.458 -2.828 -18.044 868 HB3 ALA 100 HB3 ALA 100 7.492 -2.465 -16.319 869 H LEU 101 H LEU 101 3.835 -2.227 -16.729 870 HA LEU 101 HA LEU 101 3.628 -1.839 -13.972 871 HB2 LEU 101 HB2 LEU 101 1.452 -1.868 -16.068 872 HB3 LEU 101 HB3 LEU 101 1.244 -1.270 -14.434 873 HG LEU 101 HG LEU 101 3.154 -0.110 -16.467 874 HD11 LEU 101 HD11 LEU 101 0.494 0.908 -15.478 875 HD12 LEU 101 HD12 LEU 101 0.821 0.257 -17.084 876 HD13 LEU 101 HD13 LEU 101 1.591 1.758 -16.569 877 HD21 LEU 101 HD21 LEU 101 3.911 0.190 -14.173 878 HD22 LEU 101 HD22 LEU 101 2.335 0.842 -13.725 879 HD23 LEU 101 HD23 LEU 101 3.364 1.720 -14.859 880 H SER 102 H SER 102 2.115 -4.286 -16.040 881 HA SER 102 HA SER 102 0.658 -5.552 -13.976 882 HB2 SER 102 HB2 SER 102 0.220 -5.770 -16.443 883 HB3 SER 102 HB3 SER 102 1.646 -6.799 -16.548 884 HG SER 102 HG SER 102 -0.821 -7.281 -15.280 885 H GLU 103 H GLU 103 3.863 -6.108 -15.376 886 HA GLU 103 HA GLU 103 4.379 -8.416 -13.740 887 HB2 GLU 103 HB2 GLU 103 6.263 -6.748 -15.410 888 HB3 GLU 103 HB3 GLU 103 6.655 -8.294 -14.674 889 HG2 GLU 103 HG2 GLU 103 4.820 -9.309 -16.036 890 HG3 GLU 103 HG3 GLU 103 4.674 -7.762 -16.871 891 H ALA 104 H ALA 104 4.117 -5.306 -12.886 892 HA ALA 104 HA ALA 104 6.187 -5.533 -10.800 893 HB1 ALA 104 HB1 ALA 104 6.316 -3.474 -12.112 894 HB2 ALA 104 HB2 ALA 104 5.872 -3.129 -10.440 895 HB3 ALA 104 HB3 ALA 104 4.642 -3.098 -11.703 896 H LEU 105 H LEU 105 2.788 -5.048 -11.459 897 HA LEU 105 HA LEU 105 1.907 -4.689 -8.801 898 HB2 LEU 105 HB2 LEU 105 0.665 -4.199 -10.976 899 HB3 LEU 105 HB3 LEU 105 0.321 -5.913 -11.061 900 HG LEU 105 HG LEU 105 -1.521 -4.428 -10.156 901 HD11 LEU 105 HD11 LEU 105 -2.200 -6.010 -8.436 902 HD12 LEU 105 HD12 LEU 105 -0.565 -6.670 -8.383 903 HD13 LEU 105 HD13 LEU 105 -1.541 -6.845 -9.842 904 HD21 LEU 105 HD21 LEU 105 -0.121 -2.983 -8.776 905 HD22 LEU 105 HD22 LEU 105 0.285 -4.353 -7.744 906 HD23 LEU 105 HD23 LEU 105 -1.376 -3.766 -7.819 907 H GLU 106 H GLU 106 2.244 -7.569 -10.861 908 HA GLU 106 HA GLU 106 1.099 -9.393 -9.056 909 HB2 GLU 106 HB2 GLU 106 2.211 -11.145 -10.331 910 HB3 GLU 106 HB3 GLU 106 1.492 -9.955 -11.403 911 HG2 GLU 106 HG2 GLU 106 3.491 -9.257 -12.204 912 HG3 GLU 106 HG3 GLU 106 4.334 -9.561 -10.685 913 H LYS 107 H LYS 107 4.298 -8.010 -9.240 914 HA LYS 107 HA LYS 107 5.689 -9.880 -7.675 915 HB2 LYS 107 HB2 LYS 107 6.234 -6.910 -7.750 916 HB3 LYS 107 HB3 LYS 107 7.377 -8.194 -7.397 917 HG2 LYS 107 HG2 LYS 107 6.047 -7.757 -10.058 918 HG3 LYS 107 HG3 LYS 107 7.672 -7.225 -9.633 919 HD2 LYS 107 HD2 LYS 107 6.753 -10.094 -9.571 920 HD3 LYS 107 HD3 LYS 107 7.589 -9.349 -10.933 921 HE2 LYS 107 HE2 LYS 107 9.461 -8.792 -9.372 922 HE3 LYS 107 HE3 LYS 107 8.640 -9.749 -8.139 923 HZ1 LYS 107 HZ1 LYS 107 8.757 -11.664 -9.648 924 HZ2 LYS 107 HZ2 LYS 107 10.295 -11.082 -9.246 925 HZ3 LYS 107 HZ3 LYS 107 9.629 -10.731 -10.763 926 H LEU 108 H LEU 108 4.095 -6.833 -6.785 927 HA LEU 108 HA LEU 108 4.771 -7.097 -4.033 928 HB2 LEU 108 HB2 LEU 108 3.336 -5.129 -3.704 929 HB3 LEU 108 HB3 LEU 108 4.504 -4.907 -4.990 930 HG LEU 108 HG LEU 108 2.456 -5.663 -6.502 931 HD11 LEU 108 HD11 LEU 108 1.129 -4.430 -4.093 932 HD12 LEU 108 HD12 LEU 108 0.922 -6.083 -4.671 933 HD13 LEU 108 HD13 LEU 108 0.354 -4.729 -5.649 934 HD21 LEU 108 HD21 LEU 108 2.798 -2.904 -5.342 935 HD22 LEU 108 HD22 LEU 108 1.939 -3.294 -6.832 936 HD23 LEU 108 HD23 LEU 108 3.676 -3.575 -6.716 937 H TRP 109 H TRP 109 2.028 -8.072 -5.975 938 HA TRP 109 HA TRP 109 0.356 -8.488 -3.665 939 HB2 TRP 109 HB2 TRP 109 -0.389 -7.924 -6.099 940 HB3 TRP 109 HB3 TRP 109 -0.241 -9.660 -6.364 941 HD1 TRP 109 HD1 TRP 109 -2.252 -11.125 -5.615 942 HE1 TRP 109 HE1 TRP 109 -4.432 -10.679 -4.319 943 HE3 TRP 109 HE3 TRP 109 -1.338 -6.325 -4.099 944 HZ2 TRP 109 HZ2 TRP 109 -5.609 -8.578 -2.855 945 HZ3 TRP 109 HZ3 TRP 109 -3.047 -5.169 -2.754 946 HH2 TRP 109 HH2 TRP 109 -5.136 -6.275 -2.148 947 H ARG 110 H ARG 110 2.276 -10.493 -5.859 948 HA ARG 110 HA ARG 110 1.545 -12.978 -4.691 949 HB2 ARG 110 HB2 ARG 110 2.631 -12.650 -6.948 950 HB3 ARG 110 HB3 ARG 110 4.134 -12.315 -6.104 951 HG2 ARG 110 HG2 ARG 110 4.240 -14.531 -5.245 952 HG3 ARG 110 HG3 ARG 110 2.605 -14.889 -5.809 953 HD2 ARG 110 HD2 ARG 110 4.994 -14.276 -7.551 954 HD3 ARG 110 HD3 ARG 110 4.285 -15.870 -7.290 955 HE ARG 110 HE ARG 110 2.215 -14.900 -8.340 956 HH11 ARG 110 HH11 ARG 110 5.411 -13.690 -9.114 957 HH12 ARG 110 HH12 ARG 110 4.930 -13.029 -10.647 958 HH21 ARG 110 HH21 ARG 110 1.600 -14.043 -10.368 959 HH22 ARG 110 HH22 ARG 110 2.780 -13.241 -11.364 960 H ARG 111 H ARG 111 4.046 -10.594 -4.065 961 HA ARG 111 HA ARG 111 5.396 -11.967 -1.998 962 HB2 ARG 111 HB2 ARG 111 6.357 -9.990 -3.059 963 HB3 ARG 111 HB3 ARG 111 5.028 -8.998 -2.473 964 HG2 ARG 111 HG2 ARG 111 6.925 -8.586 -1.096 965 HG3 ARG 111 HG3 ARG 111 5.756 -9.511 -0.151 966 HD2 ARG 111 HD2 ARG 111 7.958 -10.390 0.245 967 HD3 ARG 111 HD3 ARG 111 7.032 -11.568 -0.683 968 HE ARG 111 HE ARG 111 8.788 -9.730 -2.137 969 HH11 ARG 111 HH11 ARG 111 8.153 -12.956 -0.951 970 HH12 ARG 111 HH12 ARG 111 9.327 -13.711 -1.985 971 HH21 ARG 111 HH21 ARG 111 10.343 -10.700 -3.481 972 HH22 ARG 111 HH22 ARG 111 10.608 -12.417 -3.400 973 H HIS 112 H HIS 112 2.562 -9.880 -2.068 974 HA HIS 112 HA HIS 112 2.311 -9.638 0.756 975 HB2 HIS 112 HB2 HIS 112 1.324 -8.127 -1.100 976 HB3 HIS 112 HB3 HIS 112 0.024 -9.313 -1.168 977 HD1 HIS 112 HD1 HIS 112 -1.678 -9.323 0.753 978 HD2 HIS 112 HD2 HIS 112 1.440 -6.611 1.271 979 HE1 HIS 112 HE1 HIS 112 -2.350 -7.873 2.692 980 HE2 HIS 112 HE2 HIS 112 -0.506 -6.169 2.913 981 H CYS 113 H CYS 113 0.845 -11.742 -1.672 982 HA CYS 113 HA CYS 113 -0.994 -13.069 -0.033 983 HB2 CYS 113 HB2 CYS 113 -0.989 -13.290 -2.471 984 HB3 CYS 113 HB3 CYS 113 0.566 -14.111 -2.412 985 HG CYS 113 HG CYS 113 -2.438 -15.304 -1.297 986 H ARG 114 H ARG 114 2.375 -13.811 -0.798 987 HA ARG 114 HA ARG 114 2.451 -16.111 0.930 988 HB2 ARG 114 HB2 ARG 114 4.629 -14.637 -0.558 989 HB3 ARG 114 HB3 ARG 114 4.868 -16.140 0.325 990 HG2 ARG 114 HG2 ARG 114 2.956 -15.815 -1.974 991 HG3 ARG 114 HG3 ARG 114 4.610 -16.411 -2.130 992 HD2 ARG 114 HD2 ARG 114 2.492 -17.666 -0.388 993 HD3 ARG 114 HD3 ARG 114 2.902 -18.209 -2.013 994 HE ARG 114 HE ARG 114 4.950 -18.156 0.104 995 HH11 ARG 114 HH11 ARG 114 3.037 -19.896 -2.265 996 HH12 ARG 114 HH12 ARG 114 3.979 -21.351 -2.150 997 HH21 ARG 114 HH21 ARG 114 6.218 -20.082 0.230 998 HH22 ARG 114 HH22 ARG 114 5.765 -21.460 -0.735 999 H LEU 115 H LEU 115 2.036 -13.186 1.881 1000 HA LEU 115 HA LEU 115 3.999 -13.343 4.073 1001 HB2 LEU 115 HB2 LEU 115 4.470 -11.479 2.502 1002 HB3 LEU 115 HB3 LEU 115 2.874 -10.832 2.828 1003 HG LEU 115 HG LEU 115 3.518 -10.529 5.206 1004 HD11 LEU 115 HD11 LEU 115 5.895 -10.658 5.801 1005 HD12 LEU 115 HD12 LEU 115 6.243 -11.360 4.221 1006 HD13 LEU 115 HD13 LEU 115 5.227 -12.233 5.368 1007 HD21 LEU 115 HD21 LEU 115 5.323 -9.170 3.199 1008 HD22 LEU 115 HD22 LEU 115 4.968 -8.595 4.827 1009 HD23 LEU 115 HD23 LEU 115 3.683 -8.674 3.624 1010 H ALA 116 H ALA 116 0.851 -12.030 3.095 1011 HA ALA 116 HA ALA 116 -0.032 -11.445 5.719 1012 HB1 ALA 116 HB1 ALA 116 -2.228 -11.111 4.703 1013 HB2 ALA 116 HB2 ALA 116 -1.655 -11.864 3.213 1014 HB3 ALA 116 HB3 ALA 116 -0.958 -10.337 3.755 1015 H ARG 117 H ARG 117 -0.034 -14.342 3.822 1016 HA ARG 117 HA ARG 117 -1.999 -15.655 5.505 1017 HB2 ARG 117 HB2 ARG 117 -0.326 -16.648 3.195 1018 HB3 ARG 117 HB3 ARG 117 -1.475 -17.647 4.073 1019 HG2 ARG 117 HG2 ARG 117 -3.267 -16.051 3.423 1020 HG3 ARG 117 HG3 ARG 117 -2.082 -15.209 2.419 1021 HD2 ARG 117 HD2 ARG 117 -1.739 -17.177 1.083 1022 HD3 ARG 117 HD3 ARG 117 -2.760 -18.132 2.158 1023 HE ARG 117 HE ARG 117 -3.712 -16.002 0.339 1024 HH11 ARG 117 HH11 ARG 117 -4.289 -18.856 2.291 1025 HH12 ARG 117 HH12 ARG 117 -5.914 -19.083 1.719 1026 HH21 ARG 117 HH21 ARG 117 -5.834 -16.305 -0.443 1027 HH22 ARG 117 HH22 ARG 117 -6.771 -17.664 0.120 1028 H GLY 118 H GLY 118 0.851 -14.703 6.313 1029 HA2 GLY 118 HA2 GLY 118 1.512 -17.207 7.726 1030 HA3 GLY 118 HA3 GLY 118 2.769 -16.196 7.027 1031 H SER 119 H SER 119 3.685 -14.750 8.318 1032 HA SER 119 HA SER 119 2.202 -13.350 10.341 1033 HB2 SER 119 HB2 SER 119 2.801 -15.512 11.469 1034 HB3 SER 119 HB3 SER 119 4.499 -15.134 11.201 1035 HG SER 119 HG SER 119 3.311 -13.028 12.362 Start of MODEL 7 1 H1 MET 1 H1 MET 1 6.578 -12.763 22.713 2 H2 MET 1 H2 MET 1 5.246 -11.849 23.224 3 H3 MET 1 H3 MET 1 6.309 -12.509 24.369 4 HA MET 1 HA MET 1 6.709 -10.157 24.109 5 HB2 MET 1 HB2 MET 1 8.872 -11.909 22.925 6 HB3 MET 1 HB3 MET 1 9.121 -10.266 23.497 7 HG2 MET 1 HG2 MET 1 8.466 -10.957 25.745 8 HG3 MET 1 HG3 MET 1 8.238 -12.605 25.163 9 HE1 MET 1 HE1 MET 1 11.890 -13.600 24.125 10 HE2 MET 1 HE2 MET 1 10.654 -12.884 23.092 11 HE3 MET 1 HE3 MET 1 10.216 -14.142 24.249 12 H VAL 2 H VAL 2 7.791 -11.771 21.106 13 HA VAL 2 HA VAL 2 7.575 -9.319 19.632 14 HB VAL 2 HB VAL 2 8.154 -10.657 17.649 15 HG11 VAL 2 HG11 VAL 2 9.870 -11.252 20.059 16 HG12 VAL 2 HG12 VAL 2 9.923 -9.787 19.079 17 HG13 VAL 2 HG13 VAL 2 10.391 -11.334 18.376 18 HG21 VAL 2 HG21 VAL 2 8.663 -13.044 17.863 19 HG22 VAL 2 HG22 VAL 2 6.965 -12.718 18.204 20 HG23 VAL 2 HG23 VAL 2 8.088 -13.020 19.530 21 H LYS 3 H LYS 3 6.102 -8.841 17.967 22 HA LYS 3 HA LYS 3 3.707 -10.456 17.723 23 HB2 LYS 3 HB2 LYS 3 3.489 -9.101 19.840 24 HB3 LYS 3 HB3 LYS 3 3.556 -7.654 18.850 25 HG2 LYS 3 HG2 LYS 3 1.498 -8.233 17.763 26 HG3 LYS 3 HG3 LYS 3 1.461 -9.797 18.585 27 HD2 LYS 3 HD2 LYS 3 1.362 -7.108 19.957 28 HD3 LYS 3 HD3 LYS 3 -0.034 -8.143 19.647 29 HE2 LYS 3 HE2 LYS 3 0.940 -9.894 21.034 30 HE3 LYS 3 HE3 LYS 3 2.371 -8.903 21.305 31 HZ1 LYS 3 HZ1 LYS 3 -0.374 -8.117 22.128 32 HZ2 LYS 3 HZ2 LYS 3 1.077 -7.329 22.519 33 HZ3 LYS 3 HZ3 LYS 3 0.752 -8.867 23.150 34 H LEU 4 H LEU 4 2.292 -9.676 16.039 35 HA LEU 4 HA LEU 4 3.674 -8.410 13.890 36 HB2 LEU 4 HB2 LEU 4 0.819 -9.292 14.265 37 HB3 LEU 4 HB3 LEU 4 1.338 -8.444 12.824 38 HG LEU 4 HG LEU 4 1.288 -10.770 12.325 39 HD11 LEU 4 HD11 LEU 4 4.129 -9.876 12.760 40 HD12 LEU 4 HD12 LEU 4 3.129 -9.561 11.341 41 HD13 LEU 4 HD13 LEU 4 3.623 -11.211 11.724 42 HD21 LEU 4 HD21 LEU 4 2.600 -12.426 13.562 43 HD22 LEU 4 HD22 LEU 4 1.368 -11.672 14.574 44 HD23 LEU 4 HD23 LEU 4 3.057 -11.184 14.729 45 H ALA 5 H ALA 5 1.616 -7.341 16.439 46 HA ALA 5 HA ALA 5 1.459 -4.651 15.294 47 HB1 ALA 5 HB1 ALA 5 0.155 -5.824 17.752 48 HB2 ALA 5 HB2 ALA 5 -0.624 -5.513 16.199 49 HB3 ALA 5 HB3 ALA 5 -0.050 -4.167 17.186 50 H PHE 6 H PHE 6 2.966 -3.216 15.853 51 HA PHE 6 HA PHE 6 5.001 -3.940 17.726 52 HB2 PHE 6 HB2 PHE 6 4.579 -1.349 16.222 53 HB3 PHE 6 HB3 PHE 6 6.042 -1.804 17.089 54 HD1 PHE 6 HD1 PHE 6 7.420 -3.702 16.261 55 HD2 PHE 6 HD2 PHE 6 4.151 -2.127 14.035 56 HE1 PHE 6 HE1 PHE 6 8.285 -4.785 14.228 57 HE2 PHE 6 HE2 PHE 6 5.009 -3.211 12.001 58 HZ PHE 6 HZ PHE 6 7.077 -4.543 12.096 59 HA PRO 7 HA PRO 7 3.129 -2.168 21.346 60 HB2 PRO 7 HB2 PRO 7 5.874 -2.070 22.415 61 HB3 PRO 7 HB3 PRO 7 4.473 -2.965 23.005 62 HG2 PRO 7 HG2 PRO 7 6.531 -4.207 21.822 63 HG3 PRO 7 HG3 PRO 7 4.859 -4.756 21.597 64 HD2 PRO 7 HD2 PRO 7 6.586 -3.135 19.759 65 HD3 PRO 7 HD3 PRO 7 5.477 -4.471 19.379 66 H ARG 8 H ARG 8 5.093 -0.587 19.236 67 HA ARG 8 HA ARG 8 5.611 1.776 20.821 68 HB2 ARG 8 HB2 ARG 8 6.082 1.138 17.904 69 HB3 ARG 8 HB3 ARG 8 6.522 2.664 18.657 70 HG2 ARG 8 HG2 ARG 8 7.551 -0.002 19.594 71 HG3 ARG 8 HG3 ARG 8 8.385 1.014 18.415 72 HD2 ARG 8 HD2 ARG 8 8.682 2.755 20.004 73 HD3 ARG 8 HD3 ARG 8 7.588 1.983 21.152 74 HE ARG 8 HE ARG 8 9.267 0.476 21.736 75 HH11 ARG 8 HH11 ARG 8 10.335 2.588 19.149 76 HH12 ARG 8 HH12 ARG 8 12.021 2.241 19.378 77 HH21 ARG 8 HH21 ARG 8 11.487 0.020 22.049 78 HH22 ARG 8 HH22 ARG 8 12.678 0.782 21.029 79 H GLU 9 H GLU 9 2.994 0.544 19.083 80 HA GLU 9 HA GLU 9 1.974 3.043 18.114 81 HB2 GLU 9 HB2 GLU 9 -0.064 1.852 17.589 82 HB3 GLU 9 HB3 GLU 9 1.318 0.888 17.089 83 HG2 GLU 9 HG2 GLU 9 0.988 -0.683 18.757 84 HG3 GLU 9 HG3 GLU 9 0.040 0.422 19.751 85 H LEU 10 H LEU 10 2.021 1.465 21.141 86 HA LEU 10 HA LEU 10 -0.222 2.938 22.221 87 HB2 LEU 10 HB2 LEU 10 1.839 1.180 23.557 88 HB3 LEU 10 HB3 LEU 10 0.549 1.993 24.418 89 HG LEU 10 HG LEU 10 -0.209 -0.198 24.161 90 HD11 LEU 10 HD11 LEU 10 -2.103 -0.069 22.608 91 HD12 LEU 10 HD12 LEU 10 -1.402 1.385 21.895 92 HD13 LEU 10 HD13 LEU 10 -1.926 1.393 23.578 93 HD21 LEU 10 HD21 LEU 10 1.464 -0.967 22.566 94 HD22 LEU 10 HD22 LEU 10 0.634 -0.108 21.268 95 HD23 LEU 10 HD23 LEU 10 -0.156 -1.460 22.078 96 H ARG 11 H ARG 11 0.566 5.007 21.600 97 HA ARG 11 HA ARG 11 2.072 6.366 23.610 98 HB2 ARG 11 HB2 ARG 11 3.951 5.377 22.393 99 HB3 ARG 11 HB3 ARG 11 3.306 5.968 20.868 100 HG2 ARG 11 HG2 ARG 11 3.688 8.265 21.593 101 HG3 ARG 11 HG3 ARG 11 4.325 7.679 23.130 102 HD2 ARG 11 HD2 ARG 11 6.195 6.674 22.070 103 HD3 ARG 11 HD3 ARG 11 5.487 6.896 20.469 104 HE ARG 11 HE ARG 11 5.704 9.424 21.516 105 HH11 ARG 11 HH11 ARG 11 7.946 6.813 20.882 106 HH12 ARG 11 HH12 ARG 11 9.270 7.871 20.499 107 HH21 ARG 11 HH21 ARG 11 7.426 10.809 21.012 108 HH22 ARG 11 HH22 ARG 11 8.979 10.152 20.589 109 H LEU 12 H LEU 12 2.105 8.705 23.192 110 HA LEU 12 HA LEU 12 -0.225 9.720 22.035 111 HB2 LEU 12 HB2 LEU 12 1.339 10.803 23.754 112 HB3 LEU 12 HB3 LEU 12 2.332 11.287 22.395 113 HG LEU 12 HG LEU 12 0.772 13.049 23.313 114 HD11 LEU 12 HD11 LEU 12 1.742 13.295 21.110 115 HD12 LEU 12 HD12 LEU 12 0.078 13.878 21.116 116 HD13 LEU 12 HD13 LEU 12 0.460 12.307 20.410 117 HD21 LEU 12 HD21 LEU 12 -1.156 11.658 23.739 118 HD22 LEU 12 HD22 LEU 12 -1.306 11.294 22.019 119 HD23 LEU 12 HD23 LEU 12 -1.573 12.937 22.601 120 H LEU 13 H LEU 13 -0.710 9.460 19.967 121 HA LEU 13 HA LEU 13 1.366 10.019 17.959 122 HB2 LEU 13 HB2 LEU 13 -1.071 8.242 17.739 123 HB3 LEU 13 HB3 LEU 13 0.049 8.581 16.434 124 HG LEU 13 HG LEU 13 0.730 7.128 18.993 125 HD11 LEU 13 HD11 LEU 13 0.913 5.153 17.573 126 HD12 LEU 13 HD12 LEU 13 0.384 6.097 16.181 127 HD13 LEU 13 HD13 LEU 13 -0.718 5.822 17.530 128 HD21 LEU 13 HD21 LEU 13 2.630 8.376 18.122 129 HD22 LEU 13 HD22 LEU 13 2.388 7.664 16.527 130 HD23 LEU 13 HD23 LEU 13 2.866 6.644 17.884 131 H THR 14 H THR 14 0.879 11.380 16.284 132 HA THR 14 HA THR 14 -1.152 13.316 16.689 133 HB THR 14 HB THR 14 0.373 12.789 14.131 134 HG1 THR 14 HG1 THR 14 1.340 13.400 16.540 135 HG21 THR 14 HG21 THR 14 -1.450 14.394 13.915 136 HG22 THR 14 HG22 THR 14 0.106 15.221 13.812 137 HG23 THR 14 HG23 THR 14 -0.841 15.297 15.300 138 HA PRO 15 HA PRO 15 -4.681 11.063 15.235 139 HB2 PRO 15 HB2 PRO 15 -5.529 13.787 14.354 140 HB3 PRO 15 HB3 PRO 15 -6.415 12.578 15.292 141 HG2 PRO 15 HG2 PRO 15 -5.336 14.686 16.496 142 HG3 PRO 15 HG3 PRO 15 -5.288 13.086 17.258 143 HD2 PRO 15 HD2 PRO 15 -3.111 14.601 15.893 144 HD3 PRO 15 HD3 PRO 15 -3.026 13.506 17.288 145 H SER 16 H SER 16 -3.830 9.929 13.545 146 HA SER 16 HA SER 16 -4.690 10.594 10.938 147 HB2 SER 16 HB2 SER 16 -2.748 12.070 10.908 148 HB3 SER 16 HB3 SER 16 -1.712 10.769 11.489 149 HG SER 16 HG SER 16 -1.530 11.056 9.234 150 H GLN 17 H GLN 17 -5.165 8.664 10.065 151 HA GLN 17 HA GLN 17 -4.215 6.290 11.394 152 HB2 GLN 17 HB2 GLN 17 -5.755 5.077 10.003 153 HB3 GLN 17 HB3 GLN 17 -6.553 6.525 10.598 154 HG2 GLN 17 HG2 GLN 17 -6.124 7.617 8.436 155 HG3 GLN 17 HG3 GLN 17 -5.398 6.123 7.850 156 HE21 GLN 17 HE21 GLN 17 -6.861 5.769 6.253 157 HE22 GLN 17 HE22 GLN 17 -8.513 5.355 6.545 158 H PHE 18 H PHE 18 -3.253 8.167 8.734 159 HA PHE 18 HA PHE 18 -1.848 6.023 7.389 160 HB2 PHE 18 HB2 PHE 18 -1.787 9.011 6.933 161 HB3 PHE 18 HB3 PHE 18 -1.023 7.812 5.895 162 HD1 PHE 18 HD2 PHE 18 -2.515 6.084 4.777 163 HD2 PHE 18 HD1 PHE 18 -4.012 9.619 6.610 164 HE1 PHE 18 HE2 PHE 18 -4.604 5.859 3.494 165 HE2 PHE 18 HE1 PHE 18 -6.105 9.404 5.333 166 HZ PHE 18 HZ PHE 18 -6.402 7.520 3.768 167 H THR 19 H THR 19 -1.044 8.892 9.308 168 HA THR 19 HA THR 19 1.745 8.495 9.333 169 HB THR 19 HB THR 19 0.071 9.929 11.407 170 HG1 THR 19 HG1 THR 19 1.291 11.127 9.133 171 HG21 THR 19 HG21 THR 19 2.409 9.622 12.067 172 HG22 THR 19 HG22 THR 19 2.080 11.315 11.701 173 HG23 THR 19 HG23 THR 19 2.943 10.315 10.533 174 H PHE 20 H PHE 20 -0.761 6.830 10.860 175 HA PHE 20 HA PHE 20 0.371 5.959 13.254 176 HB2 PHE 20 HB2 PHE 20 -1.976 5.563 12.572 177 HB3 PHE 20 HB3 PHE 20 -1.422 4.424 11.352 178 HD1 PHE 20 HD1 PHE 20 -1.814 5.012 14.957 179 HD2 PHE 20 HD2 PHE 20 -0.788 2.197 11.933 180 HE1 PHE 20 HE1 PHE 20 -1.958 3.191 16.605 181 HE2 PHE 20 HE2 PHE 20 -0.929 0.374 13.576 182 HZ PHE 20 HZ PHE 20 -1.514 0.871 15.917 183 H VAL 21 H VAL 21 0.797 4.801 9.934 184 HA VAL 21 HA VAL 21 2.488 2.613 10.818 185 HB VAL 21 HB VAL 21 2.657 1.946 8.525 186 HG11 VAL 21 HG11 VAL 21 0.315 1.614 7.958 187 HG12 VAL 21 HG12 VAL 21 -0.152 2.882 9.092 188 HG13 VAL 21 HG13 VAL 21 0.582 1.392 9.687 189 HG21 VAL 21 HG21 VAL 21 3.000 4.092 7.467 190 HG22 VAL 21 HG22 VAL 21 1.345 4.575 7.840 191 HG23 VAL 21 HG23 VAL 21 1.645 3.263 6.700 192 H PHE 22 H PHE 22 2.905 5.860 10.277 193 HA PHE 22 HA PHE 22 5.501 5.763 9.059 194 HB2 PHE 22 HB2 PHE 22 3.756 7.925 10.156 195 HB3 PHE 22 HB3 PHE 22 5.471 8.255 9.946 196 HD1 PHE 22 HD2 PHE 22 6.472 8.277 7.724 197 HD2 PHE 22 HD1 PHE 22 2.301 7.636 8.263 198 HE1 PHE 22 HE2 PHE 22 6.098 8.735 5.335 199 HE2 PHE 22 HE1 PHE 22 1.919 8.093 5.877 200 HZ PHE 22 HZ PHE 22 3.817 8.643 4.408 201 H GLN 23 H GLN 23 4.504 4.828 11.999 202 HA GLN 23 HA GLN 23 6.897 5.637 13.435 203 HB2 GLN 23 HB2 GLN 23 4.729 3.655 14.180 204 HB3 GLN 23 HB3 GLN 23 6.038 4.175 15.234 205 HG2 GLN 23 HG2 GLN 23 3.899 5.969 14.104 206 HG3 GLN 23 HG3 GLN 23 3.915 5.297 15.732 207 HE21 GLN 23 HE21 GLN 23 5.329 7.613 13.571 208 HE22 GLN 23 HE22 GLN 23 6.180 8.517 14.774 209 H GLN 24 H GLN 24 5.471 2.428 12.824 210 HA GLN 24 HA GLN 24 7.959 1.535 11.597 211 HB2 GLN 24 HB2 GLN 24 6.667 0.088 13.922 212 HB3 GLN 24 HB3 GLN 24 7.981 -0.546 12.942 213 HG2 GLN 24 HG2 GLN 24 9.355 1.409 13.670 214 HG3 GLN 24 HG3 GLN 24 8.056 1.831 14.783 215 HE21 GLN 24 HE21 GLN 24 8.976 -1.445 14.012 216 HE22 GLN 24 HE22 GLN 24 9.635 -1.836 15.560 217 HA PRO 25 HA PRO 25 4.433 -0.152 9.316 218 HB2 PRO 25 HB2 PRO 25 5.263 0.480 6.875 219 HB3 PRO 25 HB3 PRO 25 4.711 1.738 7.989 220 HG2 PRO 25 HG2 PRO 25 7.486 1.007 7.181 221 HG3 PRO 25 HG3 PRO 25 6.809 2.598 7.563 222 HD2 PRO 25 HD2 PRO 25 8.296 0.930 9.294 223 HD3 PRO 25 HD3 PRO 25 7.405 2.397 9.739 224 H GLN 26 H GLN 26 4.197 -1.780 7.606 225 HA GLN 26 HA GLN 26 6.564 -3.511 7.281 226 HB2 GLN 26 HB2 GLN 26 3.630 -4.241 7.369 227 HB3 GLN 26 HB3 GLN 26 4.896 -5.357 6.878 228 HG2 GLN 26 HG2 GLN 26 4.793 -4.002 9.562 229 HG3 GLN 26 HG3 GLN 26 4.146 -5.609 9.235 230 HE21 GLN 26 HE21 GLN 26 7.040 -3.684 9.523 231 HE22 GLN 26 HE22 GLN 26 8.146 -5.016 9.641 232 H ARG 27 H ARG 27 7.385 -2.872 5.373 233 HA ARG 27 HA ARG 27 5.726 -1.878 3.260 234 HB2 ARG 27 HB2 ARG 27 7.935 -0.925 3.639 235 HB3 ARG 27 HB3 ARG 27 8.685 -2.488 3.341 236 HG2 ARG 27 HG2 ARG 27 7.843 -2.417 1.022 237 HG3 ARG 27 HG3 ARG 27 7.182 -0.811 1.340 238 HD2 ARG 27 HD2 ARG 27 9.418 0.029 1.820 239 HD3 ARG 27 HD3 ARG 27 10.092 -1.578 1.552 240 HE ARG 27 HE ARG 27 8.807 0.047 -0.556 241 HH11 ARG 27 HH11 ARG 27 11.178 -2.297 0.513 242 HH12 ARG 27 HH12 ARG 27 11.951 -2.416 -1.042 243 HH21 ARG 27 HH21 ARG 27 9.793 -0.130 -2.617 244 HH22 ARG 27 HH22 ARG 27 11.158 -1.191 -2.828 245 H ALA 28 H ALA 28 4.659 -3.082 1.875 246 HA ALA 28 HA ALA 28 5.970 -5.474 0.791 247 HB1 ALA 28 HB1 ALA 28 3.060 -5.356 1.585 248 HB2 ALA 28 HB2 ALA 28 4.326 -6.232 2.446 249 HB3 ALA 28 HB3 ALA 28 3.878 -6.713 0.810 250 H GLY 29 H GLY 29 6.507 -4.407 -1.081 251 HA2 GLY 29 HA2 GLY 29 4.537 -4.245 -3.106 252 HA3 GLY 29 HA3 GLY 29 4.932 -2.632 -2.529 253 H THR 30 H THR 30 5.756 -2.173 -4.645 254 HA THR 30 HA THR 30 8.335 -3.475 -5.214 255 HB THR 30 HB THR 30 7.972 -2.861 -7.585 256 HG1 THR 30 HG1 THR 30 5.384 -2.421 -7.653 257 HG21 THR 30 HG21 THR 30 6.228 -4.503 -8.078 258 HG22 THR 30 HG22 THR 30 5.696 -4.454 -6.396 259 HG23 THR 30 HG23 THR 30 7.294 -5.084 -6.797 260 HA PRO 31 HA PRO 31 10.526 0.392 -5.120 261 HB2 PRO 31 HB2 PRO 31 11.155 0.253 -8.014 262 HB3 PRO 31 HB3 PRO 31 12.242 0.351 -6.625 263 HG2 PRO 31 HG2 PRO 31 11.959 -1.928 -7.976 264 HG3 PRO 31 HG3 PRO 31 12.133 -1.925 -6.209 265 HD2 PRO 31 HD2 PRO 31 9.669 -2.265 -7.875 266 HD3 PRO 31 HD3 PRO 31 10.153 -3.116 -6.393 267 H GLN 32 H GLN 32 8.215 0.061 -7.759 268 HA GLN 32 HA GLN 32 8.147 2.948 -8.119 269 HB2 GLN 32 HB2 GLN 32 6.616 2.507 -9.984 270 HB3 GLN 32 HB3 GLN 32 8.112 1.600 -10.135 271 HG2 GLN 32 HG2 GLN 32 6.989 -0.409 -9.344 272 HG3 GLN 32 HG3 GLN 32 5.489 0.497 -9.151 273 HE21 GLN 32 HE21 GLN 32 7.709 -0.931 -11.390 274 HE22 GLN 32 HE22 GLN 32 6.701 -0.801 -12.787 275 H ILE 33 H ILE 33 6.111 0.362 -6.862 276 HA ILE 33 HA ILE 33 4.406 2.449 -5.708 277 HB ILE 33 HB ILE 33 3.041 1.515 -7.411 278 HG12 ILE 33 HG12 ILE 33 2.300 0.235 -4.774 279 HG13 ILE 33 HG13 ILE 33 1.922 1.882 -5.264 280 HG21 ILE 33 HG21 ILE 33 2.575 -0.862 -7.661 281 HG22 ILE 33 HG22 ILE 33 3.708 -1.226 -6.357 282 HG23 ILE 33 HG23 ILE 33 4.294 -0.516 -7.863 283 HD11 ILE 33 HD11 ILE 33 -0.020 0.501 -5.507 284 HD12 ILE 33 HD12 ILE 33 0.874 -0.651 -6.500 285 HD13 ILE 33 HD13 ILE 33 0.554 0.975 -7.106 286 H THR 34 H THR 34 4.945 2.495 -3.662 287 HA THR 34 HA THR 34 5.637 -0.007 -2.302 288 HB THR 34 HB THR 34 6.246 2.874 -1.624 289 HG1 THR 34 HG1 THR 34 7.438 1.247 -3.221 290 HG21 THR 34 HG21 THR 34 7.563 2.004 0.262 291 HG22 THR 34 HG22 THR 34 6.962 0.379 -0.073 292 HG23 THR 34 HG23 THR 34 5.847 1.641 0.450 293 H ILE 35 H ILE 35 4.023 -0.924 -1.262 294 HA ILE 35 HA ILE 35 1.910 0.699 -0.071 295 HB ILE 35 HB ILE 35 2.138 -2.312 -0.253 296 HG12 ILE 35 HG12 ILE 35 0.537 -0.409 -1.978 297 HG13 ILE 35 HG13 ILE 35 2.016 -1.221 -2.478 298 HG21 ILE 35 HG21 ILE 35 -0.178 -0.530 0.478 299 HG22 ILE 35 HG22 ILE 35 0.682 -1.639 1.545 300 HG23 ILE 35 HG23 ILE 35 -0.289 -2.268 0.213 301 HD11 ILE 35 HD11 ILE 35 -0.583 -2.560 -1.748 302 HD12 ILE 35 HD12 ILE 35 0.901 -3.385 -2.229 303 HD13 ILE 35 HD13 ILE 35 0.062 -2.338 -3.375 304 H LEU 36 H LEU 36 2.223 1.380 1.952 305 HA LEU 36 HA LEU 36 3.942 -0.110 3.760 306 HB2 LEU 36 HB2 LEU 36 2.428 2.481 4.090 307 HB3 LEU 36 HB3 LEU 36 3.363 1.743 5.373 308 HG LEU 36 HG LEU 36 4.719 3.453 4.477 309 HD11 LEU 36 HD11 LEU 36 5.947 1.423 4.913 310 HD12 LEU 36 HD12 LEU 36 6.632 2.252 3.515 311 HD13 LEU 36 HD13 LEU 36 5.608 0.834 3.285 312 HD21 LEU 36 HD21 LEU 36 3.520 3.843 2.398 313 HD22 LEU 36 HD22 LEU 36 4.161 2.341 1.730 314 HD23 LEU 36 HD23 LEU 36 5.252 3.676 2.102 315 H GLY 37 H GLY 37 3.057 -1.869 4.616 316 HA2 GLY 37 HA2 GLY 37 0.178 -1.892 5.135 317 HA3 GLY 37 HA3 GLY 37 1.229 -3.298 5.056 318 H ARG 38 H ARG 38 -0.650 -2.851 7.067 319 HA ARG 38 HA ARG 38 1.149 -2.916 9.361 320 HB2 ARG 38 HB2 ARG 38 -0.617 -1.690 10.711 321 HB3 ARG 38 HB3 ARG 38 0.321 -0.713 9.592 322 HG2 ARG 38 HG2 ARG 38 -1.503 -0.651 8.028 323 HG3 ARG 38 HG3 ARG 38 -2.436 -1.784 9.010 324 HD2 ARG 38 HD2 ARG 38 -2.795 -0.208 10.696 325 HD3 ARG 38 HD3 ARG 38 -1.478 0.822 10.141 326 HE ARG 38 HE ARG 38 -3.375 0.729 8.096 327 HH11 ARG 38 HH11 ARG 38 -3.217 1.795 11.423 328 HH12 ARG 38 HH12 ARG 38 -4.275 3.141 11.186 329 HH21 ARG 38 HH21 ARG 38 -4.790 2.536 7.765 330 HH22 ARG 38 HH22 ARG 38 -5.173 3.553 9.117 331 H LEU 39 H LEU 39 0.651 -4.493 10.802 332 HA LEU 39 HA LEU 39 -1.560 -6.248 10.129 333 HB2 LEU 39 HB2 LEU 39 0.941 -6.481 11.637 334 HB3 LEU 39 HB3 LEU 39 -0.410 -7.321 12.373 335 HG LEU 39 HG LEU 39 0.878 -8.812 10.939 336 HD11 LEU 39 HD11 LEU 39 -0.962 -9.654 9.552 337 HD12 LEU 39 HD12 LEU 39 -1.845 -8.154 9.831 338 HD13 LEU 39 HD13 LEU 39 -1.496 -9.233 11.181 339 HD21 LEU 39 HD21 LEU 39 0.135 -6.923 8.711 340 HD22 LEU 39 HD22 LEU 39 0.923 -8.487 8.511 341 HD23 LEU 39 HD23 LEU 39 1.753 -7.183 9.360 342 H ASN 40 H ASN 40 -1.332 -3.515 11.810 343 HA ASN 40 HA ASN 40 -2.880 -4.030 14.128 344 HB2 ASN 40 HB2 ASN 40 -1.616 -1.933 13.822 345 HB3 ASN 40 HB3 ASN 40 -2.641 -1.504 12.460 346 HD21 ASN 40 HD21 ASN 40 -2.402 -1.731 15.918 347 HD22 ASN 40 HD22 ASN 40 -3.862 -0.878 16.272 348 H SER 41 H SER 41 -4.698 -5.190 13.828 349 HA SER 41 HA SER 41 -6.218 -4.915 11.400 350 HB2 SER 41 HB2 SER 41 -5.736 -7.128 12.491 351 HB3 SER 41 HB3 SER 41 -6.839 -6.663 13.786 352 HG SER 41 HG SER 41 -7.516 -6.829 11.029 353 H LEU 42 H LEU 42 -7.457 -3.194 11.265 354 HA LEU 42 HA LEU 42 -9.185 -2.480 13.521 355 HB2 LEU 42 HB2 LEU 42 -8.553 -1.008 10.958 356 HB3 LEU 42 HB3 LEU 42 -9.659 -0.427 12.186 357 HG LEU 42 HG LEU 42 -6.714 -0.913 12.626 358 HD11 LEU 42 HD11 LEU 42 -6.509 1.513 12.630 359 HD12 LEU 42 HD12 LEU 42 -8.218 1.668 12.224 360 HD13 LEU 42 HD13 LEU 42 -7.101 0.932 11.075 361 HD21 LEU 42 HD21 LEU 42 -7.080 0.299 14.714 362 HD22 LEU 42 HD22 LEU 42 -8.057 -1.168 14.645 363 HD23 LEU 42 HD23 LEU 42 -8.803 0.404 14.355 364 H GLY 43 H GLY 43 -9.268 -4.489 10.959 365 HA2 GLY 43 HA2 GLY 43 -10.915 -5.427 9.653 366 HA3 GLY 43 HA3 GLY 43 -12.053 -4.818 10.848 367 H HIS 44 H HIS 44 -9.862 -3.000 8.784 368 HA HIS 44 HA HIS 44 -12.183 -1.614 7.620 369 HB2 HIS 44 HB2 HIS 44 -11.176 -0.332 9.505 370 HB3 HIS 44 HB3 HIS 44 -9.633 -0.349 8.664 371 HD1 HIS 44 HD1 HIS 44 -12.497 1.716 9.195 372 HD2 HIS 44 HD2 HIS 44 -9.862 1.089 6.045 373 HE1 HIS 44 HE1 HIS 44 -12.711 3.741 7.724 374 HE2 HIS 44 HE2 HIS 44 -10.888 3.463 6.001 375 HA PRO 45 HA PRO 45 -9.320 -2.965 4.274 376 HB2 PRO 45 HB2 PRO 45 -11.688 -3.387 2.663 377 HB3 PRO 45 HB3 PRO 45 -10.530 -4.581 3.250 378 HG2 PRO 45 HG2 PRO 45 -13.118 -4.409 4.121 379 HG3 PRO 45 HG3 PRO 45 -11.793 -5.087 5.084 380 HD2 PRO 45 HD2 PRO 45 -13.064 -2.384 5.234 381 HD3 PRO 45 HD3 PRO 45 -12.489 -3.435 6.546 382 H ARG 46 H ARG 46 -8.481 -1.000 3.695 383 HA ARG 46 HA ARG 46 -9.939 0.478 1.641 384 HB2 ARG 46 HB2 ARG 46 -9.653 1.438 4.315 385 HB3 ARG 46 HB3 ARG 46 -8.636 2.419 3.273 386 HG2 ARG 46 HG2 ARG 46 -10.738 3.499 3.426 387 HG3 ARG 46 HG3 ARG 46 -10.643 2.790 1.814 388 HD2 ARG 46 HD2 ARG 46 -12.106 1.030 2.399 389 HD3 ARG 46 HD3 ARG 46 -11.972 1.391 4.118 390 HE ARG 46 HE ARG 46 -13.090 3.550 2.567 391 HH11 ARG 46 HH11 ARG 46 -13.811 0.542 4.207 392 HH12 ARG 46 HH12 ARG 46 -15.462 0.960 4.531 393 HH21 ARG 46 HH21 ARG 46 -15.250 4.131 3.037 394 HH22 ARG 46 HH22 ARG 46 -16.270 3.029 3.914 395 H ILE 47 H ILE 47 -8.595 1.651 0.252 396 HA ILE 47 HA ILE 47 -5.721 1.178 0.618 397 HB ILE 47 HB ILE 47 -6.470 -0.087 -1.285 398 HG12 ILE 47 HG12 ILE 47 -5.075 2.430 -2.226 399 HG13 ILE 47 HG13 ILE 47 -4.290 1.046 -1.475 400 HG21 ILE 47 HG21 ILE 47 -8.543 1.085 -1.760 401 HG22 ILE 47 HG22 ILE 47 -7.562 0.935 -3.219 402 HG23 ILE 47 HG23 ILE 47 -7.635 2.474 -2.361 403 HD11 ILE 47 HD11 ILE 47 -4.931 -0.357 -3.357 404 HD12 ILE 47 HD12 ILE 47 -4.006 1.046 -3.896 405 HD13 ILE 47 HD13 ILE 47 -5.757 1.010 -4.103 406 H GLY 48 H GLY 48 -4.830 2.985 1.325 407 HA2 GLY 48 HA2 GLY 48 -5.936 5.569 0.510 408 HA3 GLY 48 HA3 GLY 48 -4.782 5.293 1.810 409 H LEU 49 H LEU 49 -5.203 5.792 -1.604 410 HA LEU 49 HA LEU 49 -2.445 5.442 -2.293 411 HB2 LEU 49 HB2 LEU 49 -4.241 5.184 -3.950 412 HB3 LEU 49 HB3 LEU 49 -4.659 6.878 -3.769 413 HG LEU 49 HG LEU 49 -2.436 7.503 -4.658 414 HD11 LEU 49 HD11 LEU 49 -1.041 5.803 -5.714 415 HD12 LEU 49 HD12 LEU 49 -2.132 4.542 -5.136 416 HD13 LEU 49 HD13 LEU 49 -1.210 5.508 -3.983 417 HD21 LEU 49 HD21 LEU 49 -4.372 7.356 -6.141 418 HD22 LEU 49 HD22 LEU 49 -4.027 5.652 -6.433 419 HD23 LEU 49 HD23 LEU 49 -2.892 6.887 -6.976 420 H THR 50 H THR 50 -0.932 6.724 -1.519 421 HA THR 50 HA THR 50 -1.542 9.580 -1.163 422 HB THR 50 HB THR 50 0.723 8.010 0.088 423 HG1 THR 50 HG1 THR 50 -1.577 7.488 0.711 424 HG21 THR 50 HG21 THR 50 0.857 9.945 1.613 425 HG22 THR 50 HG22 THR 50 -0.410 10.750 0.686 426 HG23 THR 50 HG23 THR 50 1.150 10.408 -0.063 427 H VAL 51 H VAL 51 -0.961 10.598 -2.980 428 HA VAL 51 HA VAL 51 1.731 10.069 -4.030 429 HB VAL 51 HB VAL 51 0.080 9.157 -5.589 430 HG11 VAL 51 HG11 VAL 51 -1.527 10.581 -6.739 431 HG12 VAL 51 HG12 VAL 51 -1.029 11.958 -5.757 432 HG13 VAL 51 HG13 VAL 51 -1.821 10.576 -5.000 433 HG21 VAL 51 HG21 VAL 51 0.791 10.344 -7.614 434 HG22 VAL 51 HG22 VAL 51 2.135 10.081 -6.503 435 HG23 VAL 51 HG23 VAL 51 1.387 11.674 -6.622 436 H ALA 52 H ALA 52 2.982 11.811 -4.396 437 HA ALA 52 HA ALA 52 1.801 14.450 -3.863 438 HB1 ALA 52 HB1 ALA 52 4.017 15.163 -3.153 439 HB2 ALA 52 HB2 ALA 52 4.673 13.571 -3.540 440 HB3 ALA 52 HB3 ALA 52 3.505 13.751 -2.231 441 H LYS 53 H LYS 53 2.376 16.173 -5.233 442 HA LYS 53 HA LYS 53 2.718 15.305 -7.946 443 HB2 LYS 53 HB2 LYS 53 2.423 17.720 -8.504 444 HB3 LYS 53 HB3 LYS 53 1.113 17.031 -7.561 445 HG2 LYS 53 HG2 LYS 53 1.333 18.675 -6.104 446 HG3 LYS 53 HG3 LYS 53 2.965 18.113 -5.729 447 HD2 LYS 53 HD2 LYS 53 3.788 19.429 -7.676 448 HD3 LYS 53 HD3 LYS 53 2.160 20.083 -7.865 449 HE2 LYS 53 HE2 LYS 53 2.266 21.104 -5.690 450 HE3 LYS 53 HE3 LYS 53 3.815 20.327 -5.360 451 HZ1 LYS 53 HZ1 LYS 53 3.295 22.372 -7.446 452 HZ2 LYS 53 HZ2 LYS 53 4.777 21.588 -7.199 453 HZ3 LYS 53 HZ3 LYS 53 4.150 22.607 -6.001 454 H LYS 54 H LYS 54 4.939 14.460 -7.098 455 HA LYS 54 HA LYS 54 6.898 16.363 -8.194 456 HB2 LYS 54 HB2 LYS 54 8.631 15.417 -6.715 457 HB3 LYS 54 HB3 LYS 54 7.346 16.204 -5.810 458 HG2 LYS 54 HG2 LYS 54 6.604 14.257 -4.891 459 HG3 LYS 54 HG3 LYS 54 7.125 13.280 -6.268 460 HD2 LYS 54 HD2 LYS 54 8.505 12.788 -4.331 461 HD3 LYS 54 HD3 LYS 54 9.469 13.585 -5.574 462 HE2 LYS 54 HE2 LYS 54 10.070 14.548 -3.480 463 HE3 LYS 54 HE3 LYS 54 9.106 15.740 -4.350 464 HZ1 LYS 54 HZ1 LYS 54 7.204 15.186 -3.024 465 HZ2 LYS 54 HZ2 LYS 54 8.503 15.539 -1.995 466 HZ3 LYS 54 HZ3 LYS 54 8.044 13.926 -2.254 467 H ASN 55 H ASN 55 5.903 13.019 -7.730 468 HA ASN 55 HA ASN 55 7.801 12.088 -9.733 469 HB2 ASN 55 HB2 ASN 55 6.909 9.836 -9.243 470 HB3 ASN 55 HB3 ASN 55 7.439 10.652 -7.776 471 HD21 ASN 55 HD21 ASN 55 5.522 8.450 -8.172 472 HD22 ASN 55 HD22 ASN 55 4.052 8.994 -7.438 473 H VAL 56 H VAL 56 4.364 12.625 -9.289 474 HA VAL 56 HA VAL 56 3.996 12.256 -12.187 475 HB VAL 56 HB VAL 56 1.860 12.070 -10.051 476 HG11 VAL 56 HG11 VAL 56 1.772 11.484 -13.008 477 HG12 VAL 56 HG12 VAL 56 0.979 12.824 -12.178 478 HG13 VAL 56 HG13 VAL 56 0.467 11.165 -11.866 479 HG21 VAL 56 HG21 VAL 56 3.395 10.188 -9.882 480 HG22 VAL 56 HG22 VAL 56 3.207 9.863 -11.606 481 HG23 VAL 56 HG23 VAL 56 1.835 9.664 -10.513 482 H ARG 57 H ARG 57 4.591 14.386 -12.687 483 HA ARG 57 HA ARG 57 2.810 16.457 -11.605 484 HB2 ARG 57 HB2 ARG 57 5.483 16.818 -12.971 485 HB3 ARG 57 HB3 ARG 57 4.481 18.104 -12.313 486 HG2 ARG 57 HG2 ARG 57 4.699 16.849 -10.080 487 HG3 ARG 57 HG3 ARG 57 6.040 16.004 -10.858 488 HD2 ARG 57 HD2 ARG 57 5.776 18.987 -10.507 489 HD3 ARG 57 HD3 ARG 57 6.828 17.922 -9.577 490 HE ARG 57 HE ARG 57 8.058 17.508 -11.660 491 HH11 ARG 57 HH11 ARG 57 5.982 20.316 -11.478 492 HH12 ARG 57 HH12 ARG 57 6.858 21.207 -12.694 493 HH21 ARG 57 HH21 ARG 57 9.204 18.636 -13.251 494 HH22 ARG 57 HH22 ARG 57 8.685 20.225 -13.741 495 H ARG 58 H ARG 58 1.193 15.614 -13.061 496 HA ARG 58 HA ARG 58 1.105 17.114 -15.499 497 HB2 ARG 58 HB2 ARG 58 2.391 14.871 -15.924 498 HB3 ARG 58 HB3 ARG 58 0.792 14.147 -15.851 499 HG2 ARG 58 HG2 ARG 58 1.339 14.548 -18.140 500 HG3 ARG 58 HG3 ARG 58 0.075 15.683 -17.670 501 HD2 ARG 58 HD2 ARG 58 2.986 16.415 -17.594 502 HD3 ARG 58 HD3 ARG 58 2.020 16.585 -19.057 503 HE ARG 58 HE ARG 58 0.557 17.919 -17.213 504 HH11 ARG 58 HH11 ARG 58 3.947 18.061 -18.079 505 HH12 ARG 58 HH12 ARG 58 4.079 19.775 -17.792 506 HH21 ARG 58 HH21 ARG 58 0.724 20.150 -16.813 507 HH22 ARG 58 HH22 ARG 58 2.238 20.969 -17.062 508 H ALA 59 H ALA 59 -1.005 15.116 -16.502 509 HA ALA 59 HA ALA 59 -3.066 15.771 -14.513 510 HB1 ALA 59 HB1 ALA 59 -3.291 16.422 -17.446 511 HB2 ALA 59 HB2 ALA 59 -3.004 17.588 -16.154 512 HB3 ALA 59 HB3 ALA 59 -4.525 16.698 -16.216 513 H HIS 60 H HIS 60 -2.355 14.009 -17.522 514 HA HIS 60 HA HIS 60 -4.836 12.603 -17.546 515 HB2 HIS 60 HB2 HIS 60 -2.282 11.816 -18.965 516 HB3 HIS 60 HB3 HIS 60 -3.924 11.352 -19.395 517 HD1 HIS 60 HD1 HIS 60 -1.353 13.632 -20.339 518 HD2 HIS 60 HD2 HIS 60 -5.508 13.821 -20.129 519 HE1 HIS 60 HE1 HIS 60 -2.029 15.557 -21.810 520 HE2 HIS 60 HE2 HIS 60 -4.541 15.519 -21.828 521 H GLU 61 H GLU 61 -1.717 12.055 -16.186 522 HA GLU 61 HA GLU 61 -1.887 9.240 -15.877 523 HB2 GLU 61 HB2 GLU 61 -0.126 11.303 -14.540 524 HB3 GLU 61 HB3 GLU 61 0.101 9.568 -14.403 525 HG2 GLU 61 HG2 GLU 61 1.637 10.492 -16.019 526 HG3 GLU 61 HG3 GLU 61 0.485 9.428 -16.818 527 H ARG 62 H ARG 62 -3.287 11.822 -14.159 528 HA ARG 62 HA ARG 62 -3.274 10.877 -11.519 529 HB2 ARG 62 HB2 ARG 62 -3.990 13.161 -12.252 530 HB3 ARG 62 HB3 ARG 62 -5.473 12.451 -12.874 531 HG2 ARG 62 HG2 ARG 62 -6.005 11.668 -10.586 532 HG3 ARG 62 HG3 ARG 62 -4.573 12.517 -10.003 533 HD2 ARG 62 HD2 ARG 62 -6.955 13.762 -11.372 534 HD3 ARG 62 HD3 ARG 62 -6.578 13.852 -9.654 535 HE ARG 62 HE ARG 62 -4.372 14.857 -10.994 536 HH11 ARG 62 HH11 ARG 62 -7.756 15.685 -10.622 537 HH12 ARG 62 HH12 ARG 62 -7.495 17.379 -10.890 538 HH21 ARG 62 HH21 ARG 62 -4.037 17.083 -11.335 539 HH22 ARG 62 HH22 ARG 62 -5.401 18.171 -11.305 540 H ASN 63 H ASN 63 -5.501 10.275 -14.195 541 HA ASN 63 HA ASN 63 -7.264 8.624 -12.650 542 HB2 ASN 63 HB2 ASN 63 -8.059 9.891 -14.605 543 HB3 ASN 63 HB3 ASN 63 -6.999 8.955 -15.651 544 HD21 ASN 63 HD21 ASN 63 -8.746 8.262 -16.884 545 HD22 ASN 63 HD22 ASN 63 -9.842 7.054 -16.311 546 H ARG 64 H ARG 64 -4.506 8.143 -14.729 547 HA ARG 64 HA ARG 64 -4.729 5.412 -15.262 548 HB2 ARG 64 HB2 ARG 64 -2.291 7.172 -14.986 549 HB3 ARG 64 HB3 ARG 64 -2.223 5.511 -15.554 550 HG2 ARG 64 HG2 ARG 64 -3.584 6.060 -17.466 551 HG3 ARG 64 HG3 ARG 64 -3.806 7.707 -16.871 552 HD2 ARG 64 HD2 ARG 64 -1.516 8.228 -17.204 553 HD3 ARG 64 HD3 ARG 64 -1.098 6.536 -17.476 554 HE ARG 64 HE ARG 64 -2.930 7.173 -19.434 555 HH11 ARG 64 HH11 ARG 64 0.192 8.425 -18.458 556 HH12 ARG 64 HH12 ARG 64 0.682 8.817 -20.068 557 HH21 ARG 64 HH21 ARG 64 -2.287 7.689 -21.555 558 HH22 ARG 64 HH22 ARG 64 -0.725 8.391 -21.845 559 H ILE 65 H ILE 65 -2.974 7.055 -12.639 560 HA ILE 65 HA ILE 65 -1.956 4.691 -11.474 561 HB ILE 65 HB ILE 65 -2.422 7.362 -10.138 562 HG12 ILE 65 HG12 ILE 65 -1.055 7.648 -12.124 563 HG13 ILE 65 HG13 ILE 65 -0.044 7.798 -10.692 564 HG21 ILE 65 HG21 ILE 65 -2.021 5.557 -8.546 565 HG22 ILE 65 HG22 ILE 65 -0.655 6.669 -8.600 566 HG23 ILE 65 HG23 ILE 65 -0.551 5.107 -9.411 567 HD11 ILE 65 HD11 ILE 65 0.800 5.552 -11.022 568 HD12 ILE 65 HD12 ILE 65 1.045 6.527 -12.472 569 HD13 ILE 65 HD13 ILE 65 -0.258 5.339 -12.415 570 H LYS 66 H LYS 66 -4.884 6.576 -10.883 571 HA LYS 66 HA LYS 66 -5.599 5.189 -8.509 572 HB2 LYS 66 HB2 LYS 66 -7.137 6.995 -10.359 573 HB3 LYS 66 HB3 LYS 66 -7.898 6.215 -8.975 574 HG2 LYS 66 HG2 LYS 66 -6.201 7.271 -7.511 575 HG3 LYS 66 HG3 LYS 66 -5.580 8.137 -8.918 576 HD2 LYS 66 HD2 LYS 66 -7.693 9.260 -9.212 577 HD3 LYS 66 HD3 LYS 66 -8.421 8.307 -7.918 578 HE2 LYS 66 HE2 LYS 66 -6.151 10.272 -7.604 579 HE3 LYS 66 HE3 LYS 66 -7.831 10.559 -7.158 580 HZ1 LYS 66 HZ1 LYS 66 -7.655 8.700 -5.578 581 HZ2 LYS 66 HZ2 LYS 66 -6.571 9.953 -5.218 582 HZ3 LYS 66 HZ3 LYS 66 -6.015 8.540 -5.965 583 H ARG 67 H ARG 67 -6.389 4.709 -11.922 584 HA ARG 67 HA ARG 67 -8.400 2.780 -11.479 585 HB2 ARG 67 HB2 ARG 67 -6.695 3.501 -13.814 586 HB3 ARG 67 HB3 ARG 67 -7.597 1.991 -13.864 587 HG2 ARG 67 HG2 ARG 67 -9.568 3.599 -13.106 588 HG3 ARG 67 HG3 ARG 67 -8.561 4.790 -13.934 589 HD2 ARG 67 HD2 ARG 67 -10.240 3.740 -15.419 590 HD3 ARG 67 HD3 ARG 67 -8.580 3.472 -15.954 591 HE ARG 67 HE ARG 67 -8.984 1.263 -14.551 592 HH11 ARG 67 HH11 ARG 67 -11.149 2.834 -16.810 593 HH12 ARG 67 HH12 ARG 67 -11.896 1.343 -17.321 594 HH21 ARG 67 HH21 ARG 67 -9.950 -0.695 -15.217 595 HH22 ARG 67 HH22 ARG 67 -11.213 -0.656 -16.419 596 H LEU 68 H LEU 68 -4.915 2.444 -12.019 597 HA LEU 68 HA LEU 68 -4.882 -0.369 -12.147 598 HB2 LEU 68 HB2 LEU 68 -3.069 1.256 -12.860 599 HB3 LEU 68 HB3 LEU 68 -2.637 1.395 -11.170 600 HG LEU 68 HG LEU 68 -1.220 -0.154 -12.602 601 HD11 LEU 68 HD11 LEU 68 -0.993 -1.847 -10.848 602 HD12 LEU 68 HD12 LEU 68 -2.501 -1.289 -10.121 603 HD13 LEU 68 HD13 LEU 68 -1.100 -0.217 -10.182 604 HD21 LEU 68 HD21 LEU 68 -3.645 -1.927 -12.345 605 HD22 LEU 68 HD22 LEU 68 -2.070 -2.409 -12.975 606 HD23 LEU 68 HD23 LEU 68 -3.039 -1.213 -13.836 607 H THR 69 H THR 69 -4.341 1.848 -9.426 608 HA THR 69 HA THR 69 -3.622 -0.107 -7.547 609 HB THR 69 HB THR 69 -4.394 1.700 -5.866 610 HG1 THR 69 HG1 THR 69 -4.278 3.423 -8.097 611 HG21 THR 69 HG21 THR 69 -2.393 3.051 -6.336 612 HG22 THR 69 HG22 THR 69 -2.273 2.308 -7.931 613 HG23 THR 69 HG23 THR 69 -2.061 1.324 -6.483 614 H ARG 70 H ARG 70 -6.763 1.571 -7.914 615 HA ARG 70 HA ARG 70 -8.123 0.194 -5.899 616 HB2 ARG 70 HB2 ARG 70 -9.340 1.217 -8.468 617 HB3 ARG 70 HB3 ARG 70 -10.185 0.904 -6.963 618 HG2 ARG 70 HG2 ARG 70 -9.069 2.744 -5.892 619 HG3 ARG 70 HG3 ARG 70 -8.057 3.002 -7.319 620 HD2 ARG 70 HD2 ARG 70 -11.022 3.424 -7.030 621 HD3 ARG 70 HD3 ARG 70 -9.787 4.605 -7.472 622 HE ARG 70 HE ARG 70 -9.745 2.578 -9.382 623 HH11 ARG 70 HH11 ARG 70 -11.878 5.144 -8.319 624 HH12 ARG 70 HH12 ARG 70 -12.701 5.260 -9.851 625 HH21 ARG 70 HH21 ARG 70 -10.850 2.699 -11.379 626 HH22 ARG 70 HH22 ARG 70 -12.125 3.861 -11.582 627 H GLU 71 H GLU 71 -7.693 -0.621 -9.307 628 HA GLU 71 HA GLU 71 -9.753 -2.548 -9.411 629 HB2 GLU 71 HB2 GLU 71 -8.504 -1.256 -11.305 630 HB3 GLU 71 HB3 GLU 71 -7.392 -2.616 -11.252 631 HG2 GLU 71 HG2 GLU 71 -9.047 -4.137 -11.910 632 HG3 GLU 71 HG3 GLU 71 -10.348 -2.997 -11.570 633 H SER 72 H SER 72 -6.261 -2.823 -8.836 634 HA SER 72 HA SER 72 -6.336 -5.685 -8.736 635 HB2 SER 72 HB2 SER 72 -4.266 -4.497 -9.324 636 HB3 SER 72 HB3 SER 72 -4.220 -3.775 -7.716 637 HG SER 72 HG SER 72 -4.374 -6.209 -7.117 638 H PHE 73 H PHE 73 -6.504 -3.073 -6.388 639 HA PHE 73 HA PHE 73 -6.236 -4.611 -4.045 640 HB2 PHE 73 HB2 PHE 73 -6.087 -2.134 -4.141 641 HB3 PHE 73 HB3 PHE 73 -7.817 -2.060 -4.450 642 HD1 PHE 73 HD1 PHE 73 -5.303 -3.154 -1.953 643 HD2 PHE 73 HD2 PHE 73 -9.340 -2.009 -2.679 644 HE1 PHE 73 HE1 PHE 73 -5.715 -3.075 0.472 645 HE2 PHE 73 HE2 PHE 73 -9.756 -1.934 -0.255 646 HZ PHE 73 HZ PHE 73 -7.943 -2.466 1.323 647 H ARG 74 H ARG 74 -8.916 -3.949 -6.152 648 HA ARG 74 HA ARG 74 -10.963 -4.933 -4.422 649 HB2 ARG 74 HB2 ARG 74 -11.281 -3.285 -6.275 650 HB3 ARG 74 HB3 ARG 74 -11.007 -4.589 -7.421 651 HG2 ARG 74 HG2 ARG 74 -12.965 -5.766 -6.480 652 HG3 ARG 74 HG3 ARG 74 -13.265 -4.362 -5.451 653 HD2 ARG 74 HD2 ARG 74 -13.288 -2.988 -7.575 654 HD3 ARG 74 HD3 ARG 74 -13.334 -4.517 -8.450 655 HE ARG 74 HE ARG 74 -15.388 -4.594 -6.583 656 HH11 ARG 74 HH11 ARG 74 -14.479 -2.825 -9.451 657 HH12 ARG 74 HH12 ARG 74 -16.094 -2.310 -9.829 658 HH21 ARG 74 HH21 ARG 74 -17.536 -3.942 -7.066 659 HH22 ARG 74 HH22 ARG 74 -17.846 -2.941 -8.454 660 H LEU 75 H LEU 75 -9.141 -6.268 -7.150 661 HA LEU 75 HA LEU 75 -10.637 -8.696 -7.264 662 HB2 LEU 75 HB2 LEU 75 -9.467 -7.723 -9.203 663 HB3 LEU 75 HB3 LEU 75 -7.930 -8.042 -8.425 664 HG LEU 75 HG LEU 75 -8.420 -10.470 -8.510 665 HD11 LEU 75 HD11 LEU 75 -10.861 -10.339 -8.523 666 HD12 LEU 75 HD12 LEU 75 -10.260 -11.273 -9.894 667 HD13 LEU 75 HD13 LEU 75 -10.814 -9.615 -10.130 668 HD21 LEU 75 HD21 LEU 75 -7.085 -9.423 -10.253 669 HD22 LEU 75 HD22 LEU 75 -8.550 -9.030 -11.154 670 HD23 LEU 75 HD23 LEU 75 -8.084 -10.715 -10.923 671 H ARG 76 H ARG 76 -7.744 -7.674 -5.602 672 HA ARG 76 HA ARG 76 -7.064 -10.424 -4.875 673 HB2 ARG 76 HB2 ARG 76 -5.358 -8.694 -5.630 674 HB3 ARG 76 HB3 ARG 76 -5.631 -7.879 -4.102 675 HG2 ARG 76 HG2 ARG 76 -3.637 -9.204 -3.965 676 HG3 ARG 76 HG3 ARG 76 -4.870 -9.907 -2.920 677 HD2 ARG 76 HD2 ARG 76 -5.281 -11.675 -4.435 678 HD3 ARG 76 HD3 ARG 76 -4.388 -10.873 -5.727 679 HE ARG 76 HE ARG 76 -2.543 -11.232 -3.747 680 HH11 ARG 76 HH11 ARG 76 -4.697 -13.371 -5.477 681 HH12 ARG 76 HH12 ARG 76 -3.623 -14.726 -5.405 682 HH21 ARG 76 HH21 ARG 76 -1.095 -13.009 -3.679 683 HH22 ARG 76 HH22 ARG 76 -1.564 -14.522 -4.402 684 H GLN 77 H GLN 77 -9.328 -8.488 -3.848 685 HA GLN 77 HA GLN 77 -8.663 -8.121 -1.075 686 HB2 GLN 77 HB2 GLN 77 -10.074 -6.545 -2.483 687 HB3 GLN 77 HB3 GLN 77 -11.367 -7.729 -2.343 688 HG2 GLN 77 HG2 GLN 77 -11.641 -5.966 -0.710 689 HG3 GLN 77 HG3 GLN 77 -11.310 -7.503 0.090 690 HE21 GLN 77 HE21 GLN 77 -8.857 -5.629 -1.541 691 HE22 GLN 77 HE22 GLN 77 -7.995 -5.167 -0.114 692 H HIS 78 H HIS 78 -8.296 -10.365 -0.605 693 HA HIS 78 HA HIS 78 -10.089 -11.410 1.144 694 HB2 HIS 78 HB2 HIS 78 -11.456 -11.857 -1.027 695 HB3 HIS 78 HB3 HIS 78 -10.293 -13.149 -1.312 696 HD1 HIS 78 HD1 HIS 78 -11.045 -15.341 -0.452 697 HD2 HIS 78 HD2 HIS 78 -12.617 -12.178 1.752 698 HE1 HIS 78 HE1 HIS 78 -12.551 -16.392 1.278 699 HE2 HIS 78 HE2 HIS 78 -13.646 -14.446 2.454 700 H GLU 79 H GLU 79 -7.696 -12.091 -1.305 701 HA GLU 79 HA GLU 79 -6.611 -14.423 -0.093 702 HB2 GLU 79 HB2 GLU 79 -5.359 -12.454 -2.020 703 HB3 GLU 79 HB3 GLU 79 -4.697 -14.033 -1.612 704 HG2 GLU 79 HG2 GLU 79 -7.395 -13.605 -2.874 705 HG3 GLU 79 HG3 GLU 79 -5.918 -13.942 -3.777 706 H LEU 80 H LEU 80 -5.927 -10.986 0.120 707 HA LEU 80 HA LEU 80 -3.945 -11.526 2.209 708 HB2 LEU 80 HB2 LEU 80 -3.320 -9.109 1.887 709 HB3 LEU 80 HB3 LEU 80 -2.980 -10.164 0.535 710 HG LEU 80 HG LEU 80 -5.217 -9.297 -0.436 711 HD11 LEU 80 HD11 LEU 80 -5.832 -7.045 0.256 712 HD12 LEU 80 HD12 LEU 80 -4.629 -7.101 1.544 713 HD13 LEU 80 HD13 LEU 80 -6.019 -8.186 1.588 714 HD21 LEU 80 HD21 LEU 80 -3.054 -8.795 -1.396 715 HD22 LEU 80 HD22 LEU 80 -2.795 -7.519 -0.206 716 HD23 LEU 80 HD23 LEU 80 -4.071 -7.354 -1.413 717 HA PRO 81 HA PRO 81 -6.573 -10.141 5.447 718 HB2 PRO 81 HB2 PRO 81 -4.952 -8.425 6.860 719 HB3 PRO 81 HB3 PRO 81 -4.877 -10.186 6.974 720 HG2 PRO 81 HG2 PRO 81 -3.165 -8.314 5.394 721 HG3 PRO 81 HG3 PRO 81 -2.700 -9.757 6.315 722 HD2 PRO 81 HD2 PRO 81 -2.932 -9.800 3.636 723 HD3 PRO 81 HD3 PRO 81 -3.372 -11.201 4.633 724 H ALA 82 H ALA 82 -8.200 -8.760 5.367 725 HA ALA 82 HA ALA 82 -8.104 -6.388 3.796 726 HB1 ALA 82 HB1 ALA 82 -10.113 -7.787 3.955 727 HB2 ALA 82 HB2 ALA 82 -10.436 -6.114 4.411 728 HB3 ALA 82 HB3 ALA 82 -10.271 -7.352 5.657 729 H MET 83 H MET 83 -6.610 -5.013 4.696 730 HA MET 83 HA MET 83 -7.393 -3.790 7.258 731 HB2 MET 83 HB2 MET 83 -4.566 -3.979 6.203 732 HB3 MET 83 HB3 MET 83 -5.073 -3.378 7.774 733 HG2 MET 83 HG2 MET 83 -5.337 -6.223 6.832 734 HG3 MET 83 HG3 MET 83 -4.060 -5.607 7.875 735 HE1 MET 83 HE1 MET 83 -5.811 -8.120 8.583 736 HE2 MET 83 HE2 MET 83 -6.173 -7.830 10.283 737 HE3 MET 83 HE3 MET 83 -4.562 -7.483 9.658 738 H ASP 84 H ASP 84 -6.133 -1.558 7.375 739 HA ASP 84 HA ASP 84 -6.816 -0.099 4.935 740 HB2 ASP 84 HB2 ASP 84 -7.748 0.694 7.097 741 HB3 ASP 84 HB3 ASP 84 -6.111 0.939 7.694 742 H PHE 85 H PHE 85 -5.188 0.033 3.529 743 HA PHE 85 HA PHE 85 -2.442 0.179 4.586 744 HB2 PHE 85 HB2 PHE 85 -3.372 -0.769 1.870 745 HB3 PHE 85 HB3 PHE 85 -1.711 -0.763 2.448 746 HD1 PHE 85 HD1 PHE 85 -1.269 -2.135 4.620 747 HD2 PHE 85 HD2 PHE 85 -4.642 -2.666 2.080 748 HE1 PHE 85 HE1 PHE 85 -1.571 -4.412 5.503 749 HE2 PHE 85 HE2 PHE 85 -4.949 -4.941 2.958 750 HZ PHE 85 HZ PHE 85 -3.415 -5.817 4.673 751 H VAL 86 H VAL 86 -1.195 1.868 4.112 752 HA VAL 86 HA VAL 86 -2.232 3.908 2.300 753 HB VAL 86 HB VAL 86 -1.507 4.791 4.410 754 HG11 VAL 86 HG11 VAL 86 1.166 3.507 3.896 755 HG12 VAL 86 HG12 VAL 86 -0.022 2.985 5.091 756 HG13 VAL 86 HG13 VAL 86 0.764 4.557 5.254 757 HG21 VAL 86 HG21 VAL 86 0.275 6.364 3.708 758 HG22 VAL 86 HG22 VAL 86 -1.034 6.224 2.535 759 HG23 VAL 86 HG23 VAL 86 0.500 5.404 2.247 760 H VAL 87 H VAL 87 -1.501 4.101 0.299 761 HA VAL 87 HA VAL 87 0.869 2.521 -0.465 762 HB VAL 87 HB VAL 87 -1.482 3.329 -2.186 763 HG11 VAL 87 HG11 VAL 87 -0.521 1.818 -3.848 764 HG12 VAL 87 HG12 VAL 87 0.854 1.521 -2.784 765 HG13 VAL 87 HG13 VAL 87 0.588 3.131 -3.453 766 HG21 VAL 87 HG21 VAL 87 -0.775 0.642 -1.014 767 HG22 VAL 87 HG22 VAL 87 -2.095 0.957 -2.141 768 HG23 VAL 87 HG23 VAL 87 -2.123 1.666 -0.525 769 H VAL 88 H VAL 88 2.585 3.761 -0.838 770 HA VAL 88 HA VAL 88 2.163 6.497 -1.821 771 HB VAL 88 HB VAL 88 4.661 5.309 -0.597 772 HG11 VAL 88 HG11 VAL 88 3.940 8.149 -1.320 773 HG12 VAL 88 HG12 VAL 88 5.154 7.139 -2.108 774 HG13 VAL 88 HG13 VAL 88 5.384 7.660 -0.438 775 HG21 VAL 88 HG21 VAL 88 2.606 7.154 0.626 776 HG22 VAL 88 HG22 VAL 88 4.105 6.619 1.387 777 HG23 VAL 88 HG23 VAL 88 2.833 5.450 1.028 778 H ALA 89 H ALA 89 2.440 6.818 -3.892 779 HA ALA 89 HA ALA 89 3.782 4.887 -5.560 780 HB1 ALA 89 HB1 ALA 89 2.578 7.552 -6.316 781 HB2 ALA 89 HB2 ALA 89 1.714 6.016 -6.303 782 HB3 ALA 89 HB3 ALA 89 3.054 6.260 -7.421 783 H LYS 90 H LYS 90 5.749 5.072 -6.492 784 HA LYS 90 HA LYS 90 7.394 7.347 -5.629 785 HB2 LYS 90 HB2 LYS 90 8.248 4.640 -6.657 786 HB3 LYS 90 HB3 LYS 90 9.319 5.893 -6.057 787 HG2 LYS 90 HG2 LYS 90 7.185 4.678 -4.330 788 HG3 LYS 90 HG3 LYS 90 8.778 3.943 -4.509 789 HD2 LYS 90 HD2 LYS 90 9.051 5.234 -2.607 790 HD3 LYS 90 HD3 LYS 90 9.654 6.307 -3.869 791 HE2 LYS 90 HE2 LYS 90 7.547 7.503 -3.903 792 HE3 LYS 90 HE3 LYS 90 6.863 6.381 -2.727 793 HZ1 LYS 90 HZ1 LYS 90 9.122 8.250 -2.270 794 HZ2 LYS 90 HZ2 LYS 90 8.557 7.120 -1.139 795 HZ3 LYS 90 HZ3 LYS 90 7.558 8.393 -1.636 796 H LYS 91 H LYS 91 9.430 7.286 -7.405 797 HA LYS 91 HA LYS 91 8.270 8.563 -9.683 798 HB2 LYS 91 HB2 LYS 91 10.642 8.821 -10.412 799 HB3 LYS 91 HB3 LYS 91 10.329 9.424 -8.789 800 HG2 LYS 91 HG2 LYS 91 11.260 7.370 -7.849 801 HG3 LYS 91 HG3 LYS 91 11.593 6.782 -9.480 802 HD2 LYS 91 HD2 LYS 91 13.115 8.624 -9.867 803 HD3 LYS 91 HD3 LYS 91 12.722 9.313 -8.290 804 HE2 LYS 91 HE2 LYS 91 13.646 7.336 -7.193 805 HE3 LYS 91 HE3 LYS 91 14.018 6.630 -8.764 806 HZ1 LYS 91 HZ1 LYS 91 15.165 9.163 -7.713 807 HZ2 LYS 91 HZ2 LYS 91 15.556 8.425 -9.187 808 HZ3 LYS 91 HZ3 LYS 91 15.955 7.660 -7.724 809 H GLY 92 H GLY 92 8.181 7.878 -11.800 810 HA2 GLY 92 HA2 GLY 92 8.683 6.501 -13.633 811 HA3 GLY 92 HA3 GLY 92 9.417 5.343 -12.536 812 H VAL 93 H VAL 93 6.460 6.197 -11.269 813 HA VAL 93 HA VAL 93 5.324 3.662 -12.053 814 HB VAL 93 HB VAL 93 5.144 4.545 -9.727 815 HG11 VAL 93 HG11 VAL 93 4.777 6.897 -10.241 816 HG12 VAL 93 HG12 VAL 93 3.486 6.266 -9.216 817 HG13 VAL 93 HG13 VAL 93 3.205 6.508 -10.940 818 HG21 VAL 93 HG21 VAL 93 3.621 2.806 -10.483 819 HG22 VAL 93 HG22 VAL 93 2.517 4.025 -11.120 820 HG23 VAL 93 HG23 VAL 93 2.795 3.908 -9.382 821 H ALA 94 H ALA 94 5.067 6.933 -13.072 822 HA ALA 94 HA ALA 94 2.465 6.627 -14.287 823 HB1 ALA 94 HB1 ALA 94 4.460 8.873 -14.566 824 HB2 ALA 94 HB2 ALA 94 3.176 8.787 -13.360 825 HB3 ALA 94 HB3 ALA 94 2.771 8.905 -15.073 826 H ASP 95 H ASP 95 5.771 6.213 -15.183 827 HA ASP 95 HA ASP 95 4.950 5.727 -17.967 828 HB2 ASP 95 HB2 ASP 95 6.333 7.770 -17.806 829 HB3 ASP 95 HB3 ASP 95 7.607 6.836 -17.031 830 H LEU 96 H LEU 96 4.854 3.579 -18.053 831 HA LEU 96 HA LEU 96 7.288 2.103 -17.410 832 HB2 LEU 96 HB2 LEU 96 5.729 0.226 -16.564 833 HB3 LEU 96 HB3 LEU 96 6.121 1.553 -15.492 834 HG LEU 96 HG LEU 96 3.900 2.592 -16.171 835 HD11 LEU 96 HD11 LEU 96 3.449 1.338 -18.183 836 HD12 LEU 96 HD12 LEU 96 2.188 1.020 -16.991 837 HD13 LEU 96 HD13 LEU 96 3.454 -0.175 -17.277 838 HD21 LEU 96 HD21 LEU 96 3.833 -0.055 -14.738 839 HD22 LEU 96 HD22 LEU 96 2.643 1.239 -14.600 840 HD23 LEU 96 HD23 LEU 96 4.290 1.490 -14.019 841 H ASP 97 H ASP 97 7.183 -0.163 -18.321 842 HA ASP 97 HA ASP 97 6.520 0.025 -21.102 843 HB2 ASP 97 HB2 ASP 97 7.498 -2.360 -19.514 844 HB3 ASP 97 HB3 ASP 97 7.446 -2.249 -21.269 845 H ASN 98 H ASN 98 5.338 -1.847 -22.187 846 HA ASN 98 HA ASN 98 2.666 -1.630 -21.310 847 HB2 ASN 98 HB2 ASN 98 3.854 -3.452 -23.412 848 HB3 ASN 98 HB3 ASN 98 2.131 -3.186 -23.172 849 HD21 ASN 98 HD21 ASN 98 1.265 -1.111 -23.625 850 HD22 ASN 98 HD22 ASN 98 2.084 -0.011 -24.676 851 H ARG 99 H ARG 99 4.890 -4.432 -21.270 852 HA ARG 99 HA ARG 99 2.939 -5.972 -19.776 853 HB2 ARG 99 HB2 ARG 99 4.599 -6.948 -21.464 854 HB3 ARG 99 HB3 ARG 99 5.826 -6.730 -20.221 855 HG2 ARG 99 HG2 ARG 99 4.399 -8.124 -18.704 856 HG3 ARG 99 HG3 ARG 99 3.383 -8.474 -20.102 857 HD2 ARG 99 HD2 ARG 99 4.851 -10.286 -19.973 858 HD3 ARG 99 HD3 ARG 99 5.516 -9.264 -21.244 859 HE ARG 99 HE ARG 99 6.977 -8.383 -19.275 860 HH11 ARG 99 HH11 ARG 99 5.891 -11.674 -19.741 861 HH12 ARG 99 HH12 ARG 99 7.293 -12.390 -18.995 862 HH21 ARG 99 HH21 ARG 99 8.826 -9.307 -18.288 863 HH22 ARG 99 HH22 ARG 99 8.963 -11.035 -18.154 864 H ALA 100 H ALA 100 5.318 -3.691 -19.070 865 HA ALA 100 HA ALA 100 6.443 -4.775 -16.718 866 HB1 ALA 100 HB1 ALA 100 6.231 -1.873 -17.494 867 HB2 ALA 100 HB2 ALA 100 7.507 -2.982 -17.999 868 HB3 ALA 100 HB3 ALA 100 7.325 -2.565 -16.295 869 H LEU 101 H LEU 101 3.457 -3.090 -17.300 870 HA LEU 101 HA LEU 101 2.964 -2.299 -14.634 871 HB2 LEU 101 HB2 LEU 101 0.577 -2.194 -15.312 872 HB3 LEU 101 HB3 LEU 101 1.660 -1.298 -16.355 873 HG LEU 101 HG LEU 101 1.554 -3.466 -17.836 874 HD11 LEU 101 HD11 LEU 101 -1.040 -3.641 -16.309 875 HD12 LEU 101 HD12 LEU 101 0.275 -4.815 -16.253 876 HD13 LEU 101 HD13 LEU 101 -0.621 -4.564 -17.751 877 HD21 LEU 101 HD21 LEU 101 -0.337 -2.492 -19.044 878 HD22 LEU 101 HD22 LEU 101 0.804 -1.255 -18.517 879 HD23 LEU 101 HD23 LEU 101 -0.712 -1.486 -17.645 880 H SER 102 H SER 102 2.485 -5.322 -16.352 881 HA SER 102 HA SER 102 1.133 -6.582 -14.149 882 HB2 SER 102 HB2 SER 102 0.902 -7.251 -16.597 883 HB3 SER 102 HB3 SER 102 2.511 -7.958 -16.467 884 HG SER 102 HG SER 102 1.700 -9.599 -15.414 885 H GLU 103 H GLU 103 4.372 -6.211 -15.356 886 HA GLU 103 HA GLU 103 5.627 -8.138 -13.673 887 HB2 GLU 103 HB2 GLU 103 6.714 -5.788 -15.220 888 HB3 GLU 103 HB3 GLU 103 7.726 -6.907 -14.317 889 HG2 GLU 103 HG2 GLU 103 7.021 -8.736 -15.712 890 HG3 GLU 103 HG3 GLU 103 5.895 -7.684 -16.572 891 H ALA 104 H ALA 104 4.122 -5.359 -12.858 892 HA ALA 104 HA ALA 104 5.813 -5.054 -10.466 893 HB1 ALA 104 HB1 ALA 104 5.707 -2.995 -11.762 894 HB2 ALA 104 HB2 ALA 104 4.848 -2.804 -10.233 895 HB3 ALA 104 HB3 ALA 104 3.946 -3.047 -11.728 896 H LEU 105 H LEU 105 2.582 -5.368 -11.761 897 HA LEU 105 HA LEU 105 1.190 -5.117 -9.322 898 HB2 LEU 105 HB2 LEU 105 0.274 -4.826 -11.658 899 HB3 LEU 105 HB3 LEU 105 0.250 -6.574 -11.782 900 HG LEU 105 HG LEU 105 -1.296 -6.678 -9.861 901 HD11 LEU 105 HD11 LEU 105 -2.351 -4.615 -9.072 902 HD12 LEU 105 HD12 LEU 105 -1.254 -3.669 -10.078 903 HD13 LEU 105 HD13 LEU 105 -0.619 -4.629 -8.740 904 HD21 LEU 105 HD21 LEU 105 -2.176 -6.666 -12.132 905 HD22 LEU 105 HD22 LEU 105 -2.197 -4.903 -12.129 906 HD23 LEU 105 HD23 LEU 105 -3.257 -5.798 -11.040 907 H GLU 106 H GLU 106 1.921 -8.037 -11.280 908 HA GLU 106 HA GLU 106 0.673 -9.786 -9.438 909 HB2 GLU 106 HB2 GLU 106 1.668 -11.607 -10.706 910 HB3 GLU 106 HB3 GLU 106 1.017 -10.392 -11.798 911 HG2 GLU 106 HG2 GLU 106 3.029 -9.887 -12.647 912 HG3 GLU 106 HG3 GLU 106 3.848 -10.061 -11.096 913 H LYS 107 H LYS 107 3.695 -8.232 -9.295 914 HA LYS 107 HA LYS 107 5.106 -10.318 -7.917 915 HB2 LYS 107 HB2 LYS 107 5.878 -7.424 -7.754 916 HB3 LYS 107 HB3 LYS 107 6.915 -8.841 -7.740 917 HG2 LYS 107 HG2 LYS 107 5.533 -7.563 -10.076 918 HG3 LYS 107 HG3 LYS 107 7.259 -7.779 -9.811 919 HD2 LYS 107 HD2 LYS 107 5.269 -9.989 -10.303 920 HD3 LYS 107 HD3 LYS 107 6.365 -9.313 -11.504 921 HE2 LYS 107 HE2 LYS 107 8.277 -10.048 -10.131 922 HE3 LYS 107 HE3 LYS 107 7.147 -10.777 -8.986 923 HZ1 LYS 107 HZ1 LYS 107 6.290 -12.103 -10.928 924 HZ2 LYS 107 HZ2 LYS 107 7.853 -12.498 -10.402 925 HZ3 LYS 107 HZ3 LYS 107 7.639 -11.558 -11.802 926 H LEU 108 H LEU 108 3.437 -7.329 -6.985 927 HA LEU 108 HA LEU 108 3.989 -7.650 -4.210 928 HB2 LEU 108 HB2 LEU 108 2.349 -5.849 -3.868 929 HB3 LEU 108 HB3 LEU 108 3.560 -5.443 -5.064 930 HG LEU 108 HG LEU 108 1.702 -6.265 -6.750 931 HD11 LEU 108 HD11 LEU 108 0.126 -7.016 -5.053 932 HD12 LEU 108 HD12 LEU 108 -0.541 -5.671 -5.979 933 HD13 LEU 108 HD13 LEU 108 0.089 -5.396 -4.355 934 HD21 LEU 108 HD21 LEU 108 0.954 -3.959 -6.951 935 HD22 LEU 108 HD22 LEU 108 2.693 -4.033 -6.662 936 HD23 LEU 108 HD23 LEU 108 1.598 -3.600 -5.349 937 H TRP 109 H TRP 109 1.667 -8.960 -6.371 938 HA TRP 109 HA TRP 109 -0.331 -9.778 -4.589 939 HB2 TRP 109 HB2 TRP 109 0.705 -10.893 -7.179 940 HB3 TRP 109 HB3 TRP 109 -0.510 -11.776 -6.261 941 HD1 TRP 109 HD1 TRP 109 -0.535 -7.940 -6.646 942 HE1 TRP 109 HE1 TRP 109 -2.665 -7.270 -7.936 943 HE3 TRP 109 HE3 TRP 109 -2.249 -12.606 -7.825 944 HZ2 TRP 109 HZ2 TRP 109 -4.798 -8.574 -9.277 945 HZ3 TRP 109 HZ3 TRP 109 -4.334 -12.814 -9.108 946 HH2 TRP 109 HH2 TRP 109 -5.582 -10.838 -9.819 947 H ARG 110 H ARG 110 2.868 -11.028 -5.238 948 HA ARG 110 HA ARG 110 2.421 -13.347 -3.535 949 HB2 ARG 110 HB2 ARG 110 4.679 -12.481 -5.313 950 HB3 ARG 110 HB3 ARG 110 4.943 -13.705 -4.082 951 HG2 ARG 110 HG2 ARG 110 4.488 -14.816 -6.131 952 HG3 ARG 110 HG3 ARG 110 3.084 -15.022 -5.084 953 HD2 ARG 110 HD2 ARG 110 2.065 -13.041 -6.281 954 HD3 ARG 110 HD3 ARG 110 3.384 -13.176 -7.442 955 HE ARG 110 HE ARG 110 2.156 -15.688 -7.178 956 HH11 ARG 110 HH11 ARG 110 1.533 -12.505 -8.519 957 HH12 ARG 110 HH12 ARG 110 0.363 -13.089 -9.665 958 HH21 ARG 110 HH21 ARG 110 0.603 -16.435 -8.664 959 HH22 ARG 110 HH22 ARG 110 -0.156 -15.313 -9.754 960 H ARG 111 H ARG 111 4.438 -10.429 -3.616 961 HA ARG 111 HA ARG 111 5.827 -10.847 -1.234 962 HB2 ARG 111 HB2 ARG 111 6.464 -9.103 -2.792 963 HB3 ARG 111 HB3 ARG 111 4.947 -8.257 -2.521 964 HG2 ARG 111 HG2 ARG 111 6.772 -7.170 -1.351 965 HG3 ARG 111 HG3 ARG 111 5.594 -7.817 -0.210 966 HD2 ARG 111 HD2 ARG 111 7.028 -9.738 0.209 967 HD3 ARG 111 HD3 ARG 111 8.189 -9.149 -0.980 968 HE ARG 111 HE ARG 111 8.371 -7.139 0.556 969 HH11 ARG 111 HH11 ARG 111 7.653 -10.365 1.713 970 HH12 ARG 111 HH12 ARG 111 8.291 -10.069 3.298 971 HH21 ARG 111 HH21 ARG 111 9.228 -6.754 2.633 972 HH22 ARG 111 HH22 ARG 111 9.204 -8.024 3.822 973 H HIS 112 H HIS 112 2.644 -9.406 -1.794 974 HA HIS 112 HA HIS 112 2.326 -8.858 1.041 975 HB2 HIS 112 HB2 HIS 112 1.419 -7.467 -0.997 976 HB3 HIS 112 HB3 HIS 112 0.093 -8.621 -0.945 977 HD1 HIS 112 HD1 HIS 112 -0.906 -8.832 1.707 978 HD2 HIS 112 HD2 HIS 112 0.905 -5.290 0.499 979 HE1 HIS 112 HE1 HIS 112 -1.732 -7.074 3.306 980 HE2 HIS 112 HE2 HIS 112 -0.505 -4.970 2.641 981 H CYS 113 H CYS 113 2.140 -11.587 -0.758 982 HA CYS 113 HA CYS 113 -0.246 -12.671 0.531 983 HB2 CYS 113 HB2 CYS 113 0.262 -13.157 -1.881 984 HB3 CYS 113 HB3 CYS 113 1.673 -14.065 -1.346 985 HG CYS 113 HG CYS 113 -0.479 -15.461 0.407 986 H ARG 114 H ARG 114 3.256 -12.966 0.577 987 HA ARG 114 HA ARG 114 3.359 -15.093 2.467 988 HB2 ARG 114 HB2 ARG 114 5.451 -12.952 2.034 989 HB3 ARG 114 HB3 ARG 114 5.700 -14.561 2.694 990 HG2 ARG 114 HG2 ARG 114 4.902 -13.926 -0.139 991 HG3 ARG 114 HG3 ARG 114 6.511 -14.393 0.410 992 HD2 ARG 114 HD2 ARG 114 4.078 -16.120 0.796 993 HD3 ARG 114 HD3 ARG 114 5.107 -16.219 -0.630 994 HE ARG 114 HE ARG 114 5.697 -17.181 2.034 995 HH11 ARG 114 HH11 ARG 114 7.008 -16.249 -1.072 996 HH12 ARG 114 HH12 ARG 114 8.441 -17.214 -0.915 997 HH21 ARG 114 HH21 ARG 114 7.592 -18.455 2.263 998 HH22 ARG 114 HH22 ARG 114 8.781 -18.459 0.991 999 H LEU 115 H LEU 115 2.779 -11.719 2.642 1000 HA LEU 115 HA LEU 115 3.063 -11.645 5.548 1001 HB2 LEU 115 HB2 LEU 115 3.873 -9.770 4.100 1002 HB3 LEU 115 HB3 LEU 115 2.211 -9.464 3.636 1003 HG LEU 115 HG LEU 115 1.680 -8.978 6.017 1004 HD11 LEU 115 HD11 LEU 115 3.444 -10.267 7.077 1005 HD12 LEU 115 HD12 LEU 115 3.526 -8.577 7.576 1006 HD13 LEU 115 HD13 LEU 115 4.664 -9.200 6.380 1007 HD21 LEU 115 HD21 LEU 115 3.889 -7.309 4.828 1008 HD22 LEU 115 HD22 LEU 115 2.742 -6.787 6.062 1009 HD23 LEU 115 HD23 LEU 115 2.173 -7.181 4.439 1010 H ALA 116 H ALA 116 0.924 -12.956 3.642 1011 HA ALA 116 HA ALA 116 -1.456 -11.892 5.004 1012 HB1 ALA 116 HB1 ALA 116 -1.541 -11.794 2.559 1013 HB2 ALA 116 HB2 ALA 116 -2.766 -12.887 3.203 1014 HB3 ALA 116 HB3 ALA 116 -1.294 -13.537 2.480 1015 H ARG 117 H ARG 117 0.098 -14.931 4.004 1016 HA ARG 117 HA ARG 117 -1.461 -16.297 6.092 1017 HB2 ARG 117 HB2 ARG 117 -0.855 -18.400 4.801 1018 HB3 ARG 117 HB3 ARG 117 -2.007 -17.312 4.043 1019 HG2 ARG 117 HG2 ARG 117 -0.389 -16.515 2.512 1020 HG3 ARG 117 HG3 ARG 117 0.926 -17.292 3.395 1021 HD2 ARG 117 HD2 ARG 117 -1.268 -19.027 2.416 1022 HD3 ARG 117 HD3 ARG 117 -0.171 -18.362 1.207 1023 HE ARG 117 HE ARG 117 1.550 -19.648 2.063 1024 HH11 ARG 117 HH11 ARG 117 -1.351 -20.024 4.014 1025 HH12 ARG 117 HH12 ARG 117 -0.708 -21.348 4.943 1026 HH21 ARG 117 HH21 ARG 117 2.379 -21.414 3.240 1027 HH22 ARG 117 HH22 ARG 117 1.427 -22.132 4.509 1028 H GLY 118 H GLY 118 1.406 -14.922 5.791 1029 HA2 GLY 118 HA2 GLY 118 3.172 -15.093 7.312 1030 HA3 GLY 118 HA3 GLY 118 2.582 -16.680 7.783 1031 H SER 119 H SER 119 5.097 -16.810 7.613 1032 HA SER 119 HA SER 119 5.886 -17.489 4.874 1033 HB2 SER 119 HB2 SER 119 7.552 -17.072 7.372 1034 HB3 SER 119 HB3 SER 119 8.204 -17.491 5.786 1035 HG SER 119 HG SER 119 7.973 -15.491 5.166 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -3.508 -5.174 26.454 2 H2 MET 1 H2 MET 1 -2.743 -5.077 27.961 3 H3 MET 1 H3 MET 1 -3.344 -6.563 27.412 4 HA MET 1 HA MET 1 -1.128 -5.012 26.213 5 HB2 MET 1 HB2 MET 1 -1.170 -7.553 27.845 6 HB3 MET 1 HB3 MET 1 0.221 -7.042 26.900 7 HG2 MET 1 HG2 MET 1 0.544 -6.419 29.184 8 HG3 MET 1 HG3 MET 1 0.310 -4.963 28.219 9 HE1 MET 1 HE1 MET 1 -1.310 -3.909 31.589 10 HE2 MET 1 HE2 MET 1 -0.186 -3.463 30.307 11 HE3 MET 1 HE3 MET 1 0.155 -4.859 31.330 12 H VAL 2 H VAL 2 -2.868 -8.152 26.168 13 HA VAL 2 HA VAL 2 -1.843 -8.698 23.526 14 HB VAL 2 HB VAL 2 -3.368 -10.707 23.601 15 HG11 VAL 2 HG11 VAL 2 -1.419 -10.378 25.880 16 HG12 VAL 2 HG12 VAL 2 -1.007 -10.821 24.224 17 HG13 VAL 2 HG13 VAL 2 -1.980 -11.911 25.213 18 HG21 VAL 2 HG21 VAL 2 -3.818 -9.796 26.444 19 HG22 VAL 2 HG22 VAL 2 -4.308 -11.351 25.768 20 HG23 VAL 2 HG23 VAL 2 -5.038 -9.859 25.172 21 H LYS 3 H LYS 3 -2.559 -6.998 22.319 22 HA LYS 3 HA LYS 3 -5.235 -7.278 21.268 23 HB2 LYS 3 HB2 LYS 3 -5.712 -5.748 23.059 24 HB3 LYS 3 HB3 LYS 3 -4.301 -4.775 22.679 25 HG2 LYS 3 HG2 LYS 3 -5.308 -3.852 20.780 26 HG3 LYS 3 HG3 LYS 3 -6.558 -5.095 20.736 27 HD2 LYS 3 HD2 LYS 3 -7.362 -2.885 21.554 28 HD3 LYS 3 HD3 LYS 3 -7.609 -4.205 22.696 29 HE2 LYS 3 HE2 LYS 3 -6.821 -2.319 23.924 30 HE3 LYS 3 HE3 LYS 3 -5.516 -3.500 23.851 31 HZ1 LYS 3 HZ1 LYS 3 -4.595 -1.382 23.445 32 HZ2 LYS 3 HZ2 LYS 3 -5.771 -0.991 22.287 33 HZ3 LYS 3 HZ3 LYS 3 -4.609 -2.183 21.950 34 H LEU 4 H LEU 4 -5.387 -6.485 19.153 35 HA LEU 4 HA LEU 4 -2.900 -6.478 17.768 36 HB2 LEU 4 HB2 LEU 4 -5.239 -7.300 16.990 37 HB3 LEU 4 HB3 LEU 4 -5.514 -5.626 16.553 38 HG LEU 4 HG LEU 4 -3.412 -5.786 15.137 39 HD11 LEU 4 HD11 LEU 4 -3.856 -8.721 15.652 40 HD12 LEU 4 HD12 LEU 4 -2.469 -7.764 16.174 41 HD13 LEU 4 HD13 LEU 4 -2.751 -8.042 14.455 42 HD21 LEU 4 HD21 LEU 4 -4.583 -6.850 13.285 43 HD22 LEU 4 HD22 LEU 4 -5.673 -5.801 14.191 44 HD23 LEU 4 HD23 LEU 4 -5.749 -7.549 14.408 45 H ALA 5 H ALA 5 -5.199 -4.028 18.754 46 HA ALA 5 HA ALA 5 -3.724 -1.892 17.461 47 HB1 ALA 5 HB1 ALA 5 -6.159 -1.733 17.641 48 HB2 ALA 5 HB2 ALA 5 -5.371 -0.408 18.496 49 HB3 ALA 5 HB3 ALA 5 -6.035 -1.767 19.400 50 H PHE 6 H PHE 6 -2.253 -0.585 18.418 51 HA PHE 6 HA PHE 6 -0.985 -1.481 20.787 52 HB2 PHE 6 HB2 PHE 6 -0.611 1.062 19.191 53 HB3 PHE 6 HB3 PHE 6 0.448 0.537 20.496 54 HD1 PHE 6 HD2 PHE 6 1.717 -1.616 20.241 55 HD2 PHE 6 HD1 PHE 6 -0.361 0.221 17.013 56 HE1 PHE 6 HE2 PHE 6 3.037 -2.943 18.641 57 HE2 PHE 6 HE1 PHE 6 0.951 -1.103 15.407 58 HZ PHE 6 HZ PHE 6 2.654 -2.686 16.219 59 HA PRO 7 HA PRO 7 -3.010 0.777 23.991 60 HB2 PRO 7 HB2 PRO 7 -0.918 1.485 25.589 61 HB3 PRO 7 HB3 PRO 7 -1.571 -0.154 25.508 62 HG2 PRO 7 HG2 PRO 7 0.829 0.996 24.133 63 HG3 PRO 7 HG3 PRO 7 0.653 -0.569 24.950 64 HD2 PRO 7 HD2 PRO 7 0.534 -0.342 22.273 65 HD3 PRO 7 HD3 PRO 7 -0.458 -1.519 23.159 66 H ARG 8 H ARG 8 -3.142 2.859 25.090 67 HA ARG 8 HA ARG 8 -3.018 5.034 23.334 68 HB2 ARG 8 HB2 ARG 8 -3.575 6.409 25.317 69 HB3 ARG 8 HB3 ARG 8 -4.582 4.972 25.193 70 HG2 ARG 8 HG2 ARG 8 -3.249 3.855 26.876 71 HG3 ARG 8 HG3 ARG 8 -2.164 5.241 26.962 72 HD2 ARG 8 HD2 ARG 8 -4.015 6.631 27.760 73 HD3 ARG 8 HD3 ARG 8 -5.093 5.235 27.676 74 HE ARG 8 HE ARG 8 -3.531 4.189 29.347 75 HH11 ARG 8 HH11 ARG 8 -3.929 7.674 29.125 76 HH12 ARG 8 HH12 ARG 8 -3.457 7.948 30.778 77 HH21 ARG 8 HH21 ARG 8 -2.915 4.561 31.503 78 HH22 ARG 8 HH22 ARG 8 -2.871 6.183 32.116 79 H GLU 9 H GLU 9 -0.695 3.840 25.663 80 HA GLU 9 HA GLU 9 0.837 6.224 25.871 81 HB2 GLU 9 HB2 GLU 9 1.646 3.366 26.438 82 HB3 GLU 9 HB3 GLU 9 2.556 4.792 26.914 83 HG2 GLU 9 HG2 GLU 9 1.465 4.480 28.855 84 HG3 GLU 9 HG3 GLU 9 0.201 5.390 28.032 85 H LEU 10 H LEU 10 0.480 4.131 23.299 86 HA LEU 10 HA LEU 10 3.135 4.079 22.275 87 HB2 LEU 10 HB2 LEU 10 1.081 2.620 21.680 88 HB3 LEU 10 HB3 LEU 10 0.634 3.931 20.610 89 HG LEU 10 HG LEU 10 1.868 1.921 19.610 90 HD11 LEU 10 HD11 LEU 10 1.521 3.962 18.359 91 HD12 LEU 10 HD12 LEU 10 3.134 3.320 18.045 92 HD13 LEU 10 HD13 LEU 10 2.927 4.697 19.126 93 HD21 LEU 10 HD21 LEU 10 4.217 3.317 20.874 94 HD22 LEU 10 HD22 LEU 10 4.295 1.975 19.731 95 HD23 LEU 10 HD23 LEU 10 3.590 1.736 21.330 96 H ARG 11 H ARG 11 0.706 6.445 22.452 97 HA ARG 11 HA ARG 11 0.653 8.649 21.917 98 HB2 ARG 11 HB2 ARG 11 3.414 8.074 21.656 99 HB3 ARG 11 HB3 ARG 11 2.951 9.002 20.238 100 HG2 ARG 11 HG2 ARG 11 3.716 10.514 21.907 101 HG3 ARG 11 HG3 ARG 11 1.969 10.707 21.756 102 HD2 ARG 11 HD2 ARG 11 1.621 9.342 23.730 103 HD3 ARG 11 HD3 ARG 11 3.356 9.051 23.862 104 HE ARG 11 HE ARG 11 2.390 11.820 23.974 105 HH11 ARG 11 HH11 ARG 11 3.713 9.030 25.625 106 HH12 ARG 11 HH12 ARG 11 4.228 9.925 27.023 107 HH21 ARG 11 HH21 ARG 11 3.096 13.015 25.781 108 HH22 ARG 11 HH22 ARG 11 3.868 12.207 27.116 109 H LEU 12 H LEU 12 -1.116 8.376 20.620 110 HA LEU 12 HA LEU 12 -0.561 8.199 17.732 111 HB2 LEU 12 HB2 LEU 12 -1.885 6.308 18.571 112 HB3 LEU 12 HB3 LEU 12 -3.078 7.424 19.212 113 HG LEU 12 HG LEU 12 -3.588 8.171 16.911 114 HD11 LEU 12 HD11 LEU 12 -1.672 5.986 16.103 115 HD12 LEU 12 HD12 LEU 12 -1.437 7.718 15.873 116 HD13 LEU 12 HD13 LEU 12 -2.728 6.882 15.011 117 HD21 LEU 12 HD21 LEU 12 -3.788 5.196 17.369 118 HD22 LEU 12 HD22 LEU 12 -4.730 6.116 16.196 119 HD23 LEU 12 HD23 LEU 12 -4.930 6.421 17.921 120 H LEU 13 H LEU 13 -0.334 10.320 17.252 121 HA LEU 13 HA LEU 13 -2.426 12.180 18.101 122 HB2 LEU 13 HB2 LEU 13 0.181 12.673 16.657 123 HB3 LEU 13 HB3 LEU 13 -0.942 13.920 17.165 124 HG LEU 13 HG LEU 13 0.569 12.069 19.016 125 HD11 LEU 13 HD11 LEU 13 0.949 14.993 18.394 126 HD12 LEU 13 HD12 LEU 13 2.039 13.678 17.954 127 HD13 LEU 13 HD13 LEU 13 1.798 14.094 19.652 128 HD21 LEU 13 HD21 LEU 13 -0.297 13.542 20.788 129 HD22 LEU 13 HD22 LEU 13 -1.583 12.683 19.942 130 HD23 LEU 13 HD23 LEU 13 -1.279 14.384 19.589 131 H THR 14 H THR 14 -3.621 13.378 16.627 132 HA THR 14 HA THR 14 -5.027 13.579 14.879 133 HB THR 14 HB THR 14 -4.026 13.662 12.603 134 HG1 THR 14 HG1 THR 14 -2.106 12.185 13.756 135 HG21 THR 14 HG21 THR 14 -4.014 15.643 14.000 136 HG22 THR 14 HG22 THR 14 -2.518 15.562 13.071 137 HG23 THR 14 HG23 THR 14 -2.520 15.120 14.779 138 HA PRO 15 HA PRO 15 -5.940 9.120 14.820 139 HB2 PRO 15 HB2 PRO 15 -8.649 9.578 14.392 140 HB3 PRO 15 HB3 PRO 15 -7.875 9.402 15.971 141 HG2 PRO 15 HG2 PRO 15 -8.647 11.876 14.497 142 HG3 PRO 15 HG3 PRO 15 -8.720 11.534 16.235 143 HD2 PRO 15 HD2 PRO 15 -6.791 13.075 15.176 144 HD3 PRO 15 HD3 PRO 15 -6.467 11.986 16.542 145 H SER 16 H SER 16 -4.972 8.601 12.902 146 HA SER 16 HA SER 16 -6.752 8.147 10.715 147 HB2 SER 16 HB2 SER 16 -6.049 10.468 10.207 148 HB3 SER 16 HB3 SER 16 -4.360 9.965 10.269 149 HG SER 16 HG SER 16 -6.207 9.682 8.262 150 H GLN 17 H GLN 17 -5.899 6.580 9.274 151 HA GLN 17 HA GLN 17 -4.139 4.728 10.439 152 HB2 GLN 17 HB2 GLN 17 -4.927 4.977 7.532 153 HB3 GLN 17 HB3 GLN 17 -4.160 3.577 8.261 154 HG2 GLN 17 HG2 GLN 17 -6.398 2.994 8.109 155 HG3 GLN 17 HG3 GLN 17 -6.196 3.477 9.791 156 HE21 GLN 17 HE21 GLN 17 -7.421 4.450 6.660 157 HE22 GLN 17 HE22 GLN 17 -8.544 5.640 7.265 158 H PHE 18 H PHE 18 -3.643 7.383 8.239 159 HA PHE 18 HA PHE 18 -1.170 6.729 7.154 160 HB2 PHE 18 HB2 PHE 18 -2.577 8.630 6.418 161 HB3 PHE 18 HB3 PHE 18 -2.172 9.487 7.901 162 HD1 PHE 18 HD1 PHE 18 -0.754 8.100 4.778 163 HD2 PHE 18 HD2 PHE 18 -0.183 10.722 8.084 164 HE1 PHE 18 HE1 PHE 18 1.235 9.049 3.680 165 HE2 PHE 18 HE2 PHE 18 1.806 11.670 6.994 166 HZ PHE 18 HZ PHE 18 2.517 10.837 4.786 167 H THR 19 H THR 19 -1.816 8.743 10.031 168 HA THR 19 HA THR 19 0.894 9.024 10.760 169 HB THR 19 HB THR 19 -1.429 9.193 12.680 170 HG1 THR 19 HG1 THR 19 -1.495 11.449 11.919 171 HG21 THR 19 HG21 THR 19 -0.075 10.957 13.704 172 HG22 THR 19 HG22 THR 19 1.166 10.730 12.471 173 HG23 THR 19 HG23 THR 19 0.827 9.441 13.626 174 H PHE 20 H PHE 20 -1.540 6.625 11.488 175 HA PHE 20 HA PHE 20 -0.232 5.418 13.694 176 HB2 PHE 20 HB2 PHE 20 -2.622 5.123 13.290 177 HB3 PHE 20 HB3 PHE 20 -2.284 4.295 11.774 178 HD1 PHE 20 HD1 PHE 20 -1.903 4.054 15.450 179 HD2 PHE 20 HD2 PHE 20 -1.868 1.989 11.730 180 HE1 PHE 20 HE1 PHE 20 -1.857 1.905 16.647 181 HE2 PHE 20 HE2 PHE 20 -1.819 -0.164 12.918 182 HZ PHE 20 HZ PHE 20 -1.815 -0.205 15.382 183 H VAL 21 H VAL 21 -0.388 4.551 10.238 184 HA VAL 21 HA VAL 21 1.337 2.282 10.621 185 HB VAL 21 HB VAL 21 1.206 1.938 8.236 186 HG11 VAL 21 HG11 VAL 21 -0.693 1.199 9.541 187 HG12 VAL 21 HG12 VAL 21 -1.233 1.765 7.961 188 HG13 VAL 21 HG13 VAL 21 -1.453 2.783 9.385 189 HG21 VAL 21 HG21 VAL 21 -0.180 4.615 8.077 190 HG22 VAL 21 HG22 VAL 21 0.045 3.481 6.744 191 HG23 VAL 21 HG23 VAL 21 1.444 4.252 7.491 192 H PHE 22 H PHE 22 1.844 5.605 10.128 193 HA PHE 22 HA PHE 22 4.293 5.419 8.662 194 HB2 PHE 22 HB2 PHE 22 2.775 7.428 8.687 195 HB3 PHE 22 HB3 PHE 22 3.323 7.748 10.329 196 HD1 PHE 22 HD1 PHE 22 4.577 7.298 6.862 197 HD2 PHE 22 HD2 PHE 22 5.224 9.042 10.690 198 HE1 PHE 22 HE1 PHE 22 6.495 8.547 5.964 199 HE2 PHE 22 HE2 PHE 22 7.144 10.297 9.795 200 HZ PHE 22 HZ PHE 22 7.780 10.050 7.430 201 H GLN 23 H GLN 23 3.429 5.143 11.979 202 HA GLN 23 HA GLN 23 5.803 5.971 13.217 203 HB2 GLN 23 HB2 GLN 23 3.819 3.857 14.073 204 HB3 GLN 23 HB3 GLN 23 5.097 4.498 15.098 205 HG2 GLN 23 HG2 GLN 23 2.792 6.043 13.930 206 HG3 GLN 23 HG3 GLN 23 2.993 5.562 15.613 207 HE21 GLN 23 HE21 GLN 23 2.684 8.218 14.443 208 HE22 GLN 23 HE22 GLN 23 4.071 9.128 14.948 209 H GLN 24 H GLN 24 4.845 2.813 11.960 210 HA GLN 24 HA GLN 24 7.604 2.182 11.421 211 HB2 GLN 24 HB2 GLN 24 6.700 1.329 13.854 212 HB3 GLN 24 HB3 GLN 24 6.263 -0.039 12.841 213 HG2 GLN 24 HG2 GLN 24 9.027 1.136 13.078 214 HG3 GLN 24 HG3 GLN 24 8.456 -0.308 13.907 215 HE21 GLN 24 HE21 GLN 24 10.654 0.027 12.022 216 HE22 GLN 24 HE22 GLN 24 10.337 -1.065 10.720 217 HA PRO 25 HA PRO 25 4.531 0.841 8.357 218 HB2 PRO 25 HB2 PRO 25 6.282 1.766 6.292 219 HB3 PRO 25 HB3 PRO 25 4.785 2.503 6.859 220 HG2 PRO 25 HG2 PRO 25 7.301 3.597 7.178 221 HG3 PRO 25 HG3 PRO 25 5.886 4.005 8.163 222 HD2 PRO 25 HD2 PRO 25 8.162 2.170 8.781 223 HD3 PRO 25 HD3 PRO 25 7.275 3.276 9.855 224 H GLN 26 H GLN 26 4.431 -1.210 7.772 225 HA GLN 26 HA GLN 26 6.760 -2.769 7.094 226 HB2 GLN 26 HB2 GLN 26 3.814 -3.398 6.747 227 HB3 GLN 26 HB3 GLN 26 5.131 -4.552 6.608 228 HG2 GLN 26 HG2 GLN 26 4.600 -3.017 9.131 229 HG3 GLN 26 HG3 GLN 26 3.808 -4.550 8.771 230 HE21 GLN 26 HE21 GLN 26 6.813 -2.982 9.567 231 HE22 GLN 26 HE22 GLN 26 7.685 -4.422 9.981 232 H ARG 27 H ARG 27 7.670 -2.851 5.116 233 HA ARG 27 HA ARG 27 6.304 -1.394 2.982 234 HB2 ARG 27 HB2 ARG 27 8.477 -0.517 3.552 235 HB3 ARG 27 HB3 ARG 27 9.217 -2.100 3.368 236 HG2 ARG 27 HG2 ARG 27 7.821 -0.924 1.020 237 HG3 ARG 27 HG3 ARG 27 9.386 -0.260 1.487 238 HD2 ARG 27 HD2 ARG 27 10.469 -2.340 1.181 239 HD3 ARG 27 HD3 ARG 27 8.938 -3.208 1.105 240 HE ARG 27 HE ARG 27 8.578 -1.987 -1.057 241 HH11 ARG 27 HH11 ARG 27 11.811 -2.539 0.162 242 HH12 ARG 27 HH12 ARG 27 12.534 -2.598 -1.411 243 HH21 ARG 27 HH21 ARG 27 9.528 -2.114 -3.146 244 HH22 ARG 27 HH22 ARG 27 11.248 -2.359 -3.287 245 H ALA 28 H ALA 28 5.469 -2.377 1.308 246 HA ALA 28 HA ALA 28 6.790 -4.767 0.251 247 HB1 ALA 28 HB1 ALA 28 4.913 -5.626 1.540 248 HB2 ALA 28 HB2 ALA 28 4.614 -5.835 -0.185 249 HB3 ALA 28 HB3 ALA 28 3.814 -4.537 0.698 250 H GLY 29 H GLY 29 6.219 -5.137 -2.038 251 HA2 GLY 29 HA2 GLY 29 5.080 -4.445 -4.025 252 HA3 GLY 29 HA3 GLY 29 4.924 -2.841 -3.330 253 H THR 30 H THR 30 5.754 -3.106 -5.861 254 HA THR 30 HA THR 30 8.499 -3.289 -6.367 255 HB THR 30 HB THR 30 6.946 -1.360 -7.981 256 HG1 THR 30 HG1 THR 30 5.274 -2.632 -8.361 257 HG21 THR 30 HG21 THR 30 7.643 -2.922 -9.806 258 HG22 THR 30 HG22 THR 30 8.442 -3.913 -8.584 259 HG23 THR 30 HG23 THR 30 8.987 -2.262 -8.876 260 HA PRO 31 HA PRO 31 10.308 0.389 -4.635 261 HB2 PRO 31 HB2 PRO 31 11.657 0.744 -7.263 262 HB3 PRO 31 HB3 PRO 31 12.351 0.681 -5.639 263 HG2 PRO 31 HG2 PRO 31 12.578 -1.397 -7.272 264 HG3 PRO 31 HG3 PRO 31 12.251 -1.638 -5.545 265 HD2 PRO 31 HD2 PRO 31 10.389 -1.822 -7.873 266 HD3 PRO 31 HD3 PRO 31 10.466 -2.827 -6.412 267 H GLN 32 H GLN 32 8.561 0.567 -7.634 268 HA GLN 32 HA GLN 32 8.529 3.483 -7.567 269 HB2 GLN 32 HB2 GLN 32 7.457 1.487 -9.558 270 HB3 GLN 32 HB3 GLN 32 7.134 3.211 -9.672 271 HG2 GLN 32 HG2 GLN 32 8.936 2.762 -11.121 272 HG3 GLN 32 HG3 GLN 32 9.617 3.572 -9.713 273 HE21 GLN 32 HE21 GLN 32 11.651 2.778 -9.931 274 HE22 GLN 32 HE22 GLN 32 12.062 1.106 -9.722 275 H ILE 33 H ILE 33 6.771 0.937 -6.308 276 HA ILE 33 HA ILE 33 4.567 2.711 -5.622 277 HB ILE 33 HB ILE 33 3.627 1.642 -7.534 278 HG12 ILE 33 HG12 ILE 33 2.633 0.216 -5.059 279 HG13 ILE 33 HG13 ILE 33 2.132 1.815 -5.592 280 HG21 ILE 33 HG21 ILE 33 5.202 -0.194 -7.757 281 HG22 ILE 33 HG22 ILE 33 3.541 -0.776 -7.847 282 HG23 ILE 33 HG23 ILE 33 4.478 -1.005 -6.370 283 HD11 ILE 33 HD11 ILE 33 1.665 -0.770 -7.057 284 HD12 ILE 33 HD12 ILE 33 1.169 0.830 -7.612 285 HD13 ILE 33 HD13 ILE 33 0.467 0.147 -6.145 286 H THR 34 H THR 34 5.084 2.772 -3.509 287 HA THR 34 HA THR 34 5.878 0.285 -2.195 288 HB THR 34 HB THR 34 6.079 3.108 -1.144 289 HG1 THR 34 HG1 THR 34 7.415 2.015 -3.122 290 HG21 THR 34 HG21 THR 34 7.737 2.136 0.389 291 HG22 THR 34 HG22 THR 34 7.413 0.538 -0.283 292 HG23 THR 34 HG23 THR 34 6.150 1.397 0.597 293 H ILE 35 H ILE 35 4.228 -0.801 -1.374 294 HA ILE 35 HA ILE 35 1.934 0.547 -0.228 295 HB ILE 35 HB ILE 35 2.626 -2.400 -0.336 296 HG12 ILE 35 HG12 ILE 35 0.548 -2.340 -1.907 297 HG13 ILE 35 HG13 ILE 35 0.906 -0.624 -2.046 298 HG21 ILE 35 HG21 ILE 35 0.302 -2.799 0.349 299 HG22 ILE 35 HG22 ILE 35 0.078 -1.061 0.557 300 HG23 ILE 35 HG23 ILE 35 1.219 -1.931 1.582 301 HD11 ILE 35 HD11 ILE 35 1.853 -1.870 -3.894 302 HD12 ILE 35 HD12 ILE 35 2.758 -2.883 -2.770 303 HD13 ILE 35 HD13 ILE 35 3.131 -1.164 -2.903 304 H LEU 36 H LEU 36 1.992 1.319 1.760 305 HA LEU 36 HA LEU 36 3.692 -0.034 3.753 306 HB2 LEU 36 HB2 LEU 36 2.928 2.884 3.584 307 HB3 LEU 36 HB3 LEU 36 3.840 2.161 4.893 308 HG LEU 36 HG LEU 36 4.759 2.320 2.019 309 HD11 LEU 36 HD11 LEU 36 5.623 3.893 4.443 310 HD12 LEU 36 HD12 LEU 36 4.677 4.514 3.089 311 HD13 LEU 36 HD13 LEU 36 6.341 3.986 2.834 312 HD21 LEU 36 HD21 LEU 36 6.193 1.413 4.512 313 HD22 LEU 36 HD22 LEU 36 6.912 1.586 2.911 314 HD23 LEU 36 HD23 LEU 36 5.658 0.378 3.188 315 H GLY 37 H GLY 37 2.806 -0.464 5.755 316 HA2 GLY 37 HA2 GLY 37 0.367 0.688 6.646 317 HA3 GLY 37 HA3 GLY 37 0.084 -0.910 5.971 318 H ARG 38 H ARG 38 -0.658 -0.853 8.380 319 HA ARG 38 HA ARG 38 1.277 -2.475 9.772 320 HB2 ARG 38 HB2 ARG 38 1.598 0.002 10.477 321 HB3 ARG 38 HB3 ARG 38 0.056 -0.184 11.306 322 HG2 ARG 38 HG2 ARG 38 1.846 -0.559 12.864 323 HG3 ARG 38 HG3 ARG 38 1.010 -2.085 12.569 324 HD2 ARG 38 HD2 ARG 38 2.799 -2.487 10.773 325 HD3 ARG 38 HD3 ARG 38 3.686 -1.182 11.557 326 HE ARG 38 HE ARG 38 2.813 -3.461 13.176 327 HH11 ARG 38 HH11 ARG 38 5.374 -1.592 11.717 328 HH12 ARG 38 HH12 ARG 38 6.647 -2.471 12.502 329 HH21 ARG 38 HH21 ARG 38 4.466 -4.638 14.223 330 HH22 ARG 38 HH22 ARG 38 6.128 -4.199 13.973 331 H LEU 39 H LEU 39 0.285 -3.735 11.443 332 HA LEU 39 HA LEU 39 -2.330 -4.564 10.844 333 HB2 LEU 39 HB2 LEU 39 -2.149 -6.084 12.673 334 HB3 LEU 39 HB3 LEU 39 -0.600 -6.021 11.865 335 HG LEU 39 HG LEU 39 -1.279 -4.693 14.497 336 HD11 LEU 39 HD11 LEU 39 0.396 -7.110 13.849 337 HD12 LEU 39 HD12 LEU 39 -1.153 -7.098 14.691 338 HD13 LEU 39 HD13 LEU 39 0.263 -6.358 15.437 339 HD21 LEU 39 HD21 LEU 39 1.361 -4.885 13.046 340 HD22 LEU 39 HD22 LEU 39 1.115 -4.233 14.665 341 HD23 LEU 39 HD23 LEU 39 0.408 -3.417 13.271 342 H ASN 40 H ASN 40 -4.221 -3.755 11.407 343 HA ASN 40 HA ASN 40 -4.518 -2.265 13.894 344 HB2 ASN 40 HB2 ASN 40 -3.925 -0.555 12.230 345 HB3 ASN 40 HB3 ASN 40 -5.229 -1.107 11.186 346 HD21 ASN 40 HD21 ASN 40 -6.230 0.902 11.192 347 HD22 ASN 40 HD22 ASN 40 -7.071 1.511 12.573 348 H SER 41 H SER 41 -6.537 -2.389 14.755 349 HA SER 41 HA SER 41 -8.395 -4.213 13.407 350 HB2 SER 41 HB2 SER 41 -8.484 -3.272 16.281 351 HB3 SER 41 HB3 SER 41 -9.327 -4.650 15.573 352 HG SER 41 HG SER 41 -6.779 -5.003 15.062 353 H LEU 42 H LEU 42 -9.727 -3.045 12.110 354 HA LEU 42 HA LEU 42 -11.434 -1.077 13.394 355 HB2 LEU 42 HB2 LEU 42 -9.302 -0.028 12.233 356 HB3 LEU 42 HB3 LEU 42 -10.239 -0.272 10.775 357 HG LEU 42 HG LEU 42 -10.420 2.024 11.689 358 HD11 LEU 42 HD11 LEU 42 -12.225 1.147 10.310 359 HD12 LEU 42 HD12 LEU 42 -12.843 2.228 11.557 360 HD13 LEU 42 HD13 LEU 42 -13.008 0.481 11.743 361 HD21 LEU 42 HD21 LEU 42 -11.765 2.386 13.720 362 HD22 LEU 42 HD22 LEU 42 -10.250 1.544 14.047 363 HD23 LEU 42 HD23 LEU 42 -11.767 0.645 14.006 364 H GLY 43 H GLY 43 -10.589 -2.716 10.349 365 HA2 GLY 43 HA2 GLY 43 -12.091 -3.949 9.015 366 HA3 GLY 43 HA3 GLY 43 -13.433 -3.213 9.882 367 H HIS 44 H HIS 44 -10.652 -1.706 8.347 368 HA HIS 44 HA HIS 44 -12.460 -0.252 6.551 369 HB2 HIS 44 HB2 HIS 44 -12.019 1.158 8.508 370 HB3 HIS 44 HB3 HIS 44 -10.290 0.949 8.290 371 HD1 HIS 44 HD1 HIS 44 -13.216 2.888 7.072 372 HD2 HIS 44 HD2 HIS 44 -9.165 2.505 6.202 373 HE1 HIS 44 HE1 HIS 44 -12.631 4.883 5.655 374 HE2 HIS 44 HE2 HIS 44 -10.131 4.762 5.396 375 HA PRO 45 HA PRO 45 -8.817 -1.469 4.109 376 HB2 PRO 45 HB2 PRO 45 -10.162 -3.035 2.312 377 HB3 PRO 45 HB3 PRO 45 -9.503 -3.632 3.837 378 HG2 PRO 45 HG2 PRO 45 -12.276 -3.334 3.067 379 HG3 PRO 45 HG3 PRO 45 -11.606 -4.066 4.532 380 HD2 PRO 45 HD2 PRO 45 -12.710 -1.368 4.131 381 HD3 PRO 45 HD3 PRO 45 -12.457 -2.271 5.639 382 H ARG 46 H ARG 46 -8.675 0.695 3.341 383 HA ARG 46 HA ARG 46 -10.267 1.242 0.923 384 HB2 ARG 46 HB2 ARG 46 -9.024 3.039 2.979 385 HB3 ARG 46 HB3 ARG 46 -9.313 3.640 1.354 386 HG2 ARG 46 HG2 ARG 46 -11.430 2.463 3.140 387 HG3 ARG 46 HG3 ARG 46 -11.111 4.189 2.953 388 HD2 ARG 46 HD2 ARG 46 -11.532 3.929 0.511 389 HD3 ARG 46 HD3 ARG 46 -12.014 2.261 0.819 390 HE ARG 46 HE ARG 46 -13.746 3.314 2.351 391 HH11 ARG 46 HH11 ARG 46 -12.540 4.863 -0.551 392 HH12 ARG 46 HH12 ARG 46 -13.964 5.826 -0.790 393 HH21 ARG 46 HH21 ARG 46 -15.630 4.558 2.030 394 HH22 ARG 46 HH22 ARG 46 -15.715 5.664 0.684 395 H ILE 47 H ILE 47 -8.740 3.132 -0.258 396 HA ILE 47 HA ILE 47 -6.210 1.756 -0.808 397 HB ILE 47 HB ILE 47 -7.676 1.341 -2.662 398 HG12 ILE 47 HG12 ILE 47 -5.645 3.480 -3.323 399 HG13 ILE 47 HG13 ILE 47 -5.373 1.739 -3.268 400 HG21 ILE 47 HG21 ILE 47 -9.311 3.077 -2.360 401 HG22 ILE 47 HG22 ILE 47 -8.672 3.156 -4.003 402 HG23 ILE 47 HG23 ILE 47 -8.130 4.316 -2.791 403 HD11 ILE 47 HD11 ILE 47 -7.130 3.199 -5.229 404 HD12 ILE 47 HD12 ILE 47 -6.893 1.453 -5.161 405 HD13 ILE 47 HD13 ILE 47 -5.539 2.509 -5.553 406 H GLY 48 H GLY 48 -5.048 3.069 0.569 407 HA2 GLY 48 HA2 GLY 48 -5.290 5.940 0.450 408 HA3 GLY 48 HA3 GLY 48 -4.149 5.027 1.428 409 H LEU 49 H LEU 49 -4.782 5.615 -2.029 410 HA LEU 49 HA LEU 49 -2.065 5.270 -2.777 411 HB2 LEU 49 HB2 LEU 49 -3.972 4.952 -4.318 412 HB3 LEU 49 HB3 LEU 49 -4.290 6.674 -4.258 413 HG LEU 49 HG LEU 49 -2.068 7.094 -5.276 414 HD11 LEU 49 HD11 LEU 49 -1.975 4.092 -5.538 415 HD12 LEU 49 HD12 LEU 49 -0.926 5.082 -4.523 416 HD13 LEU 49 HD13 LEU 49 -0.849 5.230 -6.278 417 HD21 LEU 49 HD21 LEU 49 -4.077 6.973 -6.661 418 HD22 LEU 49 HD22 LEU 49 -3.847 5.235 -6.849 419 HD23 LEU 49 HD23 LEU 49 -2.666 6.359 -7.520 420 H THR 50 H THR 50 -0.522 6.571 -2.098 421 HA THR 50 HA THR 50 -1.076 9.433 -1.768 422 HB THR 50 HB THR 50 1.358 7.889 -0.850 423 HG1 THR 50 HG1 THR 50 -0.897 7.354 0.041 424 HG21 THR 50 HG21 THR 50 1.672 10.310 -1.000 425 HG22 THR 50 HG22 THR 50 1.646 9.783 0.682 426 HG23 THR 50 HG23 THR 50 0.229 10.564 -0.020 427 H VAL 51 H VAL 51 -0.842 10.332 -3.748 428 HA VAL 51 HA VAL 51 1.565 9.685 -5.284 429 HB VAL 51 HB VAL 51 0.368 10.938 -7.157 430 HG11 VAL 51 HG11 VAL 51 0.592 8.521 -7.130 431 HG12 VAL 51 HG12 VAL 51 -0.998 8.977 -7.739 432 HG13 VAL 51 HG13 VAL 51 -0.825 8.379 -6.089 433 HG21 VAL 51 HG21 VAL 51 -2.002 10.517 -5.331 434 HG22 VAL 51 HG22 VAL 51 -2.067 11.075 -7.004 435 HG23 VAL 51 HG23 VAL 51 -1.303 12.075 -5.768 436 H ALA 52 H ALA 52 3.088 10.949 -4.290 437 HA ALA 52 HA ALA 52 2.698 13.705 -3.697 438 HB1 ALA 52 HB1 ALA 52 5.259 12.140 -3.995 439 HB2 ALA 52 HB2 ALA 52 4.354 12.383 -2.501 440 HB3 ALA 52 HB3 ALA 52 5.118 13.755 -3.303 441 H LYS 53 H LYS 53 3.141 15.495 -4.884 442 HA LYS 53 HA LYS 53 3.179 15.108 -7.730 443 HB2 LYS 53 HB2 LYS 53 2.951 17.595 -7.804 444 HB3 LYS 53 HB3 LYS 53 1.701 16.775 -6.880 445 HG2 LYS 53 HG2 LYS 53 2.870 17.361 -4.803 446 HG3 LYS 53 HG3 LYS 53 4.094 18.213 -5.747 447 HD2 LYS 53 HD2 LYS 53 2.410 19.745 -6.588 448 HD3 LYS 53 HD3 LYS 53 1.148 18.865 -5.725 449 HE2 LYS 53 HE2 LYS 53 2.195 19.439 -3.601 450 HE3 LYS 53 HE3 LYS 53 3.479 20.296 -4.454 451 HZ1 LYS 53 HZ1 LYS 53 0.592 21.002 -4.510 452 HZ2 LYS 53 HZ2 LYS 53 1.832 21.832 -5.328 453 HZ3 LYS 53 HZ3 LYS 53 1.795 21.814 -3.631 454 H LYS 54 H LYS 54 5.664 14.971 -5.711 455 HA LYS 54 HA LYS 54 7.500 16.603 -7.280 456 HB2 LYS 54 HB2 LYS 54 9.198 15.956 -5.676 457 HB3 LYS 54 HB3 LYS 54 7.765 16.503 -4.818 458 HG2 LYS 54 HG2 LYS 54 7.161 14.278 -4.241 459 HG3 LYS 54 HG3 LYS 54 8.373 13.602 -5.329 460 HD2 LYS 54 HD2 LYS 54 8.917 15.221 -2.842 461 HD3 LYS 54 HD3 LYS 54 9.121 13.477 -3.012 462 HE2 LYS 54 HE2 LYS 54 10.771 13.923 -4.831 463 HE3 LYS 54 HE3 LYS 54 10.643 15.641 -4.463 464 HZ1 LYS 54 HZ1 LYS 54 11.695 13.488 -2.720 465 HZ2 LYS 54 HZ2 LYS 54 11.326 15.034 -2.139 466 HZ3 LYS 54 HZ3 LYS 54 12.526 14.838 -3.325 467 H ASN 55 H ASN 55 6.399 13.354 -6.995 468 HA ASN 55 HA ASN 55 8.478 12.486 -8.884 469 HB2 ASN 55 HB2 ASN 55 8.158 10.191 -8.008 470 HB3 ASN 55 HB3 ASN 55 8.726 11.313 -6.778 471 HD21 ASN 55 HD21 ASN 55 6.187 9.235 -7.790 472 HD22 ASN 55 HD22 ASN 55 5.215 9.389 -6.370 473 H VAL 56 H VAL 56 5.072 12.592 -8.145 474 HA VAL 56 HA VAL 56 4.467 11.369 -10.743 475 HB VAL 56 HB VAL 56 2.478 12.417 -8.713 476 HG11 VAL 56 HG11 VAL 56 2.198 10.503 -11.028 477 HG12 VAL 56 HG12 VAL 56 1.555 12.139 -10.927 478 HG13 VAL 56 HG13 VAL 56 0.927 10.883 -9.868 479 HG21 VAL 56 HG21 VAL 56 3.831 10.701 -7.645 480 HG22 VAL 56 HG22 VAL 56 3.534 9.606 -8.995 481 HG23 VAL 56 HG23 VAL 56 2.200 10.104 -7.954 482 H ARG 57 H ARG 57 3.686 12.583 -12.441 483 HA ARG 57 HA ARG 57 4.481 15.301 -12.480 484 HB2 ARG 57 HB2 ARG 57 2.808 13.781 -14.485 485 HB3 ARG 57 HB3 ARG 57 3.591 15.329 -14.768 486 HG2 ARG 57 HG2 ARG 57 5.759 14.350 -14.582 487 HG3 ARG 57 HG3 ARG 57 5.075 12.812 -14.056 488 HD2 ARG 57 HD2 ARG 57 5.707 12.665 -16.383 489 HD3 ARG 57 HD3 ARG 57 3.951 12.596 -16.240 490 HE ARG 57 HE ARG 57 5.090 15.218 -16.765 491 HH11 ARG 57 HH11 ARG 57 3.563 12.344 -18.070 492 HH12 ARG 57 HH12 ARG 57 3.143 13.099 -19.572 493 HH21 ARG 57 HH21 ARG 57 4.553 16.200 -18.769 494 HH22 ARG 57 HH22 ARG 57 3.692 15.272 -19.969 495 H ARG 58 H ARG 58 1.570 13.781 -11.595 496 HA ARG 58 HA ARG 58 -0.145 14.619 -10.359 497 HB2 ARG 58 HB2 ARG 58 1.584 16.320 -9.625 498 HB3 ARG 58 HB3 ARG 58 0.967 17.378 -10.885 499 HG2 ARG 58 HG2 ARG 58 0.010 18.010 -8.787 500 HG3 ARG 58 HG3 ARG 58 -1.252 17.313 -9.802 501 HD2 ARG 58 HD2 ARG 58 -1.053 15.193 -8.610 502 HD3 ARG 58 HD3 ARG 58 0.236 15.867 -7.612 503 HE ARG 58 HE ARG 58 -2.233 17.359 -7.534 504 HH11 ARG 58 HH11 ARG 58 -0.427 14.713 -6.079 505 HH12 ARG 58 HH12 ARG 58 -1.270 14.823 -4.565 506 HH21 ARG 58 HH21 ARG 58 -3.339 17.467 -5.574 507 HH22 ARG 58 HH22 ARG 58 -2.953 16.359 -4.291 508 H ALA 59 H ALA 59 -0.104 14.357 -13.356 509 HA ALA 59 HA ALA 59 -2.406 16.135 -13.857 510 HB1 ALA 59 HB1 ALA 59 -0.395 15.169 -15.881 511 HB2 ALA 59 HB2 ALA 59 -0.507 16.799 -15.217 512 HB3 ALA 59 HB3 ALA 59 -1.809 16.166 -16.225 513 H HIS 60 H HIS 60 -1.232 13.474 -15.879 514 HA HIS 60 HA HIS 60 -3.972 12.374 -15.748 515 HB2 HIS 60 HB2 HIS 60 -1.893 12.081 -17.931 516 HB3 HIS 60 HB3 HIS 60 -3.537 11.457 -17.985 517 HD1 HIS 60 HD1 HIS 60 -1.522 14.453 -18.682 518 HD2 HIS 60 HD2 HIS 60 -5.545 13.503 -18.199 519 HE1 HIS 60 HE1 HIS 60 -2.799 16.403 -19.626 520 HE2 HIS 60 HE2 HIS 60 -5.221 15.882 -19.161 521 H GLU 61 H GLU 61 -0.711 11.766 -15.120 522 HA GLU 61 HA GLU 61 -0.454 9.017 -15.510 523 HB2 GLU 61 HB2 GLU 61 0.892 10.435 -13.224 524 HB3 GLU 61 HB3 GLU 61 1.518 9.145 -14.237 525 HG2 GLU 61 HG2 GLU 61 2.689 11.119 -14.815 526 HG3 GLU 61 HG3 GLU 61 1.573 10.782 -16.138 527 H ARG 62 H ARG 62 -1.489 10.858 -12.675 528 HA ARG 62 HA ARG 62 -1.662 8.661 -10.926 529 HB2 ARG 62 HB2 ARG 62 -2.020 10.255 -9.406 530 HB3 ARG 62 HB3 ARG 62 -1.924 11.424 -10.708 531 HG2 ARG 62 HG2 ARG 62 -4.522 10.115 -9.993 532 HG3 ARG 62 HG3 ARG 62 -3.921 11.510 -9.101 533 HD2 ARG 62 HD2 ARG 62 -3.847 12.805 -11.181 534 HD3 ARG 62 HD3 ARG 62 -4.446 11.404 -12.072 535 HE ARG 62 HE ARG 62 -6.234 11.940 -9.986 536 HH11 ARG 62 HH11 ARG 62 -5.140 13.481 -12.957 537 HH12 ARG 62 HH12 ARG 62 -6.666 14.265 -13.236 538 HH21 ARG 62 HH21 ARG 62 -8.202 13.002 -10.362 539 HH22 ARG 62 HH22 ARG 62 -8.387 14.007 -11.767 540 H ASN 63 H ASN 63 -3.712 9.706 -13.463 541 HA ASN 63 HA ASN 63 -6.161 8.625 -12.472 542 HB2 ASN 63 HB2 ASN 63 -6.079 10.335 -14.267 543 HB3 ASN 63 HB3 ASN 63 -5.344 9.150 -15.342 544 HD21 ASN 63 HD21 ASN 63 -7.007 9.221 -16.817 545 HD22 ASN 63 HD22 ASN 63 -8.576 8.578 -16.494 546 H ARG 64 H ARG 64 -3.554 7.411 -14.529 547 HA ARG 64 HA ARG 64 -4.790 4.891 -15.046 548 HB2 ARG 64 HB2 ARG 64 -2.992 5.814 -16.484 549 HB3 ARG 64 HB3 ARG 64 -1.854 5.638 -15.155 550 HG2 ARG 64 HG2 ARG 64 -2.375 3.174 -15.181 551 HG3 ARG 64 HG3 ARG 64 -3.253 3.458 -16.683 552 HD2 ARG 64 HD2 ARG 64 -0.339 4.087 -16.218 553 HD3 ARG 64 HD3 ARG 64 -0.948 2.663 -17.055 554 HE ARG 64 HE ARG 64 -1.298 5.427 -18.033 555 HH11 ARG 64 HH11 ARG 64 -0.828 2.009 -18.604 556 HH12 ARG 64 HH12 ARG 64 -0.680 2.177 -20.325 557 HH21 ARG 64 HH21 ARG 64 -1.092 5.672 -20.289 558 HH22 ARG 64 HH22 ARG 64 -0.823 4.273 -21.292 559 H ILE 65 H ILE 65 -2.508 6.113 -12.666 560 HA ILE 65 HA ILE 65 -1.796 3.680 -11.476 561 HB ILE 65 HB ILE 65 -1.965 6.375 -10.113 562 HG12 ILE 65 HG12 ILE 65 -0.616 6.533 -12.138 563 HG13 ILE 65 HG13 ILE 65 0.423 6.599 -10.720 564 HG21 ILE 65 HG21 ILE 65 -0.341 3.922 -9.459 565 HG22 ILE 65 HG22 ILE 65 -1.710 4.549 -8.540 566 HG23 ILE 65 HG23 ILE 65 -0.215 5.480 -8.645 567 HD11 ILE 65 HD11 ILE 65 1.404 5.231 -12.460 568 HD12 ILE 65 HD12 ILE 65 -0.026 4.198 -12.473 569 HD13 ILE 65 HD13 ILE 65 1.010 4.251 -11.047 570 H LYS 66 H LYS 66 -4.460 5.916 -10.751 571 HA LYS 66 HA LYS 66 -5.352 4.344 -8.508 572 HB2 LYS 66 HB2 LYS 66 -7.136 5.933 -8.288 573 HB3 LYS 66 HB3 LYS 66 -5.656 6.813 -8.631 574 HG2 LYS 66 HG2 LYS 66 -6.335 7.091 -10.949 575 HG3 LYS 66 HG3 LYS 66 -7.806 6.168 -10.640 576 HD2 LYS 66 HD2 LYS 66 -8.555 7.850 -9.054 577 HD3 LYS 66 HD3 LYS 66 -7.057 8.754 -9.276 578 HE2 LYS 66 HE2 LYS 66 -8.818 9.785 -10.559 579 HE3 LYS 66 HE3 LYS 66 -7.635 9.064 -11.653 580 HZ1 LYS 66 HZ1 LYS 66 -9.115 7.185 -11.967 581 HZ2 LYS 66 HZ2 LYS 66 -9.907 8.624 -12.361 582 HZ3 LYS 66 HZ3 LYS 66 -10.242 7.848 -10.888 583 H ARG 67 H ARG 67 -5.451 3.669 -11.663 584 HA ARG 67 HA ARG 67 -8.099 2.409 -11.542 585 HB2 ARG 67 HB2 ARG 67 -6.257 3.114 -13.807 586 HB3 ARG 67 HB3 ARG 67 -7.501 1.888 -14.023 587 HG2 ARG 67 HG2 ARG 67 -9.236 3.436 -13.610 588 HG3 ARG 67 HG3 ARG 67 -8.106 4.649 -13.013 589 HD2 ARG 67 HD2 ARG 67 -8.957 5.079 -15.312 590 HD3 ARG 67 HD3 ARG 67 -7.203 4.994 -15.188 591 HE ARG 67 HE ARG 67 -7.263 2.868 -16.264 592 HH11 ARG 67 HH11 ARG 67 -10.410 4.396 -16.072 593 HH12 ARG 67 HH12 ARG 67 -11.029 3.589 -17.483 594 HH21 ARG 67 HH21 ARG 67 -8.070 1.809 -18.106 595 HH22 ARG 67 HH22 ARG 67 -9.683 2.142 -18.658 596 H LEU 68 H LEU 68 -4.691 1.715 -12.135 597 HA LEU 68 HA LEU 68 -4.952 -1.081 -12.419 598 HB2 LEU 68 HB2 LEU 68 -2.970 0.456 -12.988 599 HB3 LEU 68 HB3 LEU 68 -2.538 0.330 -11.296 600 HG LEU 68 HG LEU 68 -1.271 -1.194 -12.834 601 HD11 LEU 68 HD11 LEU 68 -2.904 -2.555 -10.700 602 HD12 LEU 68 HD12 LEU 68 -1.396 -1.673 -10.454 603 HD13 LEU 68 HD13 LEU 68 -1.403 -3.162 -11.400 604 HD21 LEU 68 HD21 LEU 68 -3.940 -2.572 -13.074 605 HD22 LEU 68 HD22 LEU 68 -2.398 -3.227 -13.627 606 HD23 LEU 68 HD23 LEU 68 -3.054 -1.767 -14.370 607 H THR 69 H THR 69 -4.103 0.947 -9.628 608 HA THR 69 HA THR 69 -3.929 -1.168 -7.765 609 HB THR 69 HB THR 69 -4.229 0.684 -6.055 610 HG1 THR 69 HG1 THR 69 -3.892 2.536 -8.137 611 HG21 THR 69 HG21 THR 69 -2.126 1.095 -8.186 612 HG22 THR 69 HG22 THR 69 -2.012 -0.022 -6.827 613 HG23 THR 69 HG23 THR 69 -2.060 1.717 -6.538 614 H ARG 70 H ARG 70 -6.521 1.039 -8.657 615 HA ARG 70 HA ARG 70 -8.515 0.449 -6.888 616 HB2 ARG 70 HB2 ARG 70 -8.800 2.120 -8.567 617 HB3 ARG 70 HB3 ARG 70 -8.614 0.947 -9.856 618 HG2 ARG 70 HG2 ARG 70 -10.754 -0.089 -9.149 619 HG3 ARG 70 HG3 ARG 70 -10.949 1.224 -7.979 620 HD2 ARG 70 HD2 ARG 70 -10.927 2.863 -9.741 621 HD3 ARG 70 HD3 ARG 70 -10.560 1.628 -10.942 622 HE ARG 70 HE ARG 70 -13.120 1.758 -9.467 623 HH11 ARG 70 HH11 ARG 70 -11.254 1.111 -12.361 624 HH12 ARG 70 HH12 ARG 70 -12.646 0.832 -13.358 625 HH21 ARG 70 HH21 ARG 70 -14.961 1.385 -10.774 626 HH22 ARG 70 HH22 ARG 70 -14.759 0.981 -12.453 627 H GLU 71 H GLU 71 -7.839 -1.299 -9.907 628 HA GLU 71 HA GLU 71 -9.898 -3.202 -9.565 629 HB2 GLU 71 HB2 GLU 71 -8.869 -2.645 -11.736 630 HB3 GLU 71 HB3 GLU 71 -7.365 -3.382 -11.204 631 HG2 GLU 71 HG2 GLU 71 -8.372 -5.546 -11.136 632 HG3 GLU 71 HG3 GLU 71 -9.971 -4.865 -11.437 633 H SER 72 H SER 72 -6.413 -3.314 -8.905 634 HA SER 72 HA SER 72 -6.425 -6.060 -8.203 635 HB2 SER 72 HB2 SER 72 -4.112 -5.467 -7.251 636 HB3 SER 72 HB3 SER 72 -4.371 -5.240 -8.980 637 HG SER 72 HG SER 72 -4.407 -3.091 -8.721 638 H PHE 73 H PHE 73 -7.079 -3.172 -6.368 639 HA PHE 73 HA PHE 73 -6.763 -4.638 -3.862 640 HB2 PHE 73 HB2 PHE 73 -7.194 -1.727 -4.474 641 HB3 PHE 73 HB3 PHE 73 -7.374 -2.365 -2.845 642 HD1 PHE 73 HD1 PHE 73 -5.293 -4.070 -2.277 643 HD2 PHE 73 HD2 PHE 73 -5.189 -0.685 -4.852 644 HE1 PHE 73 HE1 PHE 73 -2.869 -3.875 -1.911 645 HE2 PHE 73 HE2 PHE 73 -2.762 -0.485 -4.496 646 HZ PHE 73 HZ PHE 73 -1.599 -2.080 -3.024 647 H ARG 74 H ARG 74 -9.283 -3.861 -6.047 648 HA ARG 74 HA ARG 74 -11.262 -4.160 -3.895 649 HB2 ARG 74 HB2 ARG 74 -11.587 -3.100 -6.696 650 HB3 ARG 74 HB3 ARG 74 -12.923 -3.366 -5.587 651 HG2 ARG 74 HG2 ARG 74 -10.610 -1.491 -5.119 652 HG3 ARG 74 HG3 ARG 74 -12.220 -1.022 -5.661 653 HD2 ARG 74 HD2 ARG 74 -12.139 -0.590 -3.329 654 HD3 ARG 74 HD3 ARG 74 -13.112 -2.043 -3.536 655 HE ARG 74 HE ARG 74 -10.671 -3.064 -3.080 656 HH11 ARG 74 HH11 ARG 74 -12.552 -0.650 -1.360 657 HH12 ARG 74 HH12 ARG 74 -11.814 -1.012 0.175 658 HH21 ARG 74 HH21 ARG 74 -9.726 -3.534 -1.071 659 HH22 ARG 74 HH22 ARG 74 -10.206 -2.635 0.333 660 H LEU 75 H LEU 75 -10.174 -5.619 -6.897 661 HA LEU 75 HA LEU 75 -12.350 -7.511 -6.937 662 HB2 LEU 75 HB2 LEU 75 -9.894 -7.100 -8.593 663 HB3 LEU 75 HB3 LEU 75 -10.750 -8.626 -8.689 664 HG LEU 75 HG LEU 75 -11.469 -7.201 -10.492 665 HD11 LEU 75 HD11 LEU 75 -13.866 -7.154 -10.108 666 HD12 LEU 75 HD12 LEU 75 -13.606 -7.338 -8.372 667 HD13 LEU 75 HD13 LEU 75 -13.156 -8.640 -9.473 668 HD21 LEU 75 HD21 LEU 75 -12.245 -5.191 -8.382 669 HD22 LEU 75 HD22 LEU 75 -12.573 -5.061 -10.111 670 HD23 LEU 75 HD23 LEU 75 -10.910 -5.034 -9.525 671 H ARG 76 H ARG 76 -9.448 -7.254 -5.258 672 HA ARG 76 HA ARG 76 -9.556 -10.117 -4.580 673 HB2 ARG 76 HB2 ARG 76 -7.230 -8.195 -4.399 674 HB3 ARG 76 HB3 ARG 76 -7.214 -9.827 -3.751 675 HG2 ARG 76 HG2 ARG 76 -7.564 -10.703 -6.027 676 HG3 ARG 76 HG3 ARG 76 -7.499 -9.052 -6.645 677 HD2 ARG 76 HD2 ARG 76 -5.288 -10.483 -5.169 678 HD3 ARG 76 HD3 ARG 76 -5.344 -10.174 -6.905 679 HE ARG 76 HE ARG 76 -5.585 -7.700 -5.818 680 HH11 ARG 76 HH11 ARG 76 -3.292 -10.297 -5.318 681 HH12 ARG 76 HH12 ARG 76 -1.961 -9.231 -4.999 682 HH21 ARG 76 HH21 ARG 76 -3.836 -6.296 -5.378 683 HH22 ARG 76 HH22 ARG 76 -2.267 -6.955 -5.037 684 H GLN 77 H GLN 77 -11.247 -9.723 -3.066 685 HA GLN 77 HA GLN 77 -10.647 -7.879 -0.890 686 HB2 GLN 77 HB2 GLN 77 -12.956 -8.082 -0.232 687 HB3 GLN 77 HB3 GLN 77 -12.867 -7.758 -1.953 688 HG2 GLN 77 HG2 GLN 77 -13.335 -10.478 -0.746 689 HG3 GLN 77 HG3 GLN 77 -14.605 -9.399 -1.311 690 HE21 GLN 77 HE21 GLN 77 -12.161 -11.648 -2.199 691 HE22 GLN 77 HE22 GLN 77 -12.510 -11.694 -3.899 692 H HIS 78 H HIS 78 -9.726 -10.877 -1.439 693 HA HIS 78 HA HIS 78 -9.774 -11.489 1.446 694 HB2 HIS 78 HB2 HIS 78 -11.172 -13.075 -0.001 695 HB3 HIS 78 HB3 HIS 78 -9.648 -13.613 -0.701 696 HD1 HIS 78 HD1 HIS 78 -8.597 -15.551 0.449 697 HD2 HIS 78 HD2 HIS 78 -11.144 -13.433 2.969 698 HE1 HIS 78 HE1 HIS 78 -8.659 -16.847 2.603 699 HE2 HIS 78 HE2 HIS 78 -10.034 -15.435 4.176 700 H GLU 79 H GLU 79 -8.002 -10.246 -0.795 701 HA GLU 79 HA GLU 79 -5.591 -11.823 -0.679 702 HB2 GLU 79 HB2 GLU 79 -6.122 -10.607 -2.708 703 HB3 GLU 79 HB3 GLU 79 -6.221 -9.095 -1.822 704 HG2 GLU 79 HG2 GLU 79 -4.174 -9.247 -3.112 705 HG3 GLU 79 HG3 GLU 79 -3.841 -9.169 -1.384 706 H LEU 80 H LEU 80 -7.024 -9.149 0.978 707 HA LEU 80 HA LEU 80 -4.727 -9.049 2.781 708 HB2 LEU 80 HB2 LEU 80 -4.771 -6.639 2.889 709 HB3 LEU 80 HB3 LEU 80 -4.549 -7.133 1.226 710 HG LEU 80 HG LEU 80 -7.257 -6.347 2.288 711 HD11 LEU 80 HD11 LEU 80 -6.858 -4.105 1.445 712 HD12 LEU 80 HD12 LEU 80 -5.213 -4.546 0.990 713 HD13 LEU 80 HD13 LEU 80 -5.676 -4.504 2.691 714 HD21 LEU 80 HD21 LEU 80 -7.704 -5.869 -0.069 715 HD22 LEU 80 HD22 LEU 80 -7.225 -7.550 0.162 716 HD23 LEU 80 HD23 LEU 80 -6.071 -6.385 -0.486 717 HA PRO 81 HA PRO 81 -7.847 -9.152 5.948 718 HB2 PRO 81 HB2 PRO 81 -6.181 -7.370 7.586 719 HB3 PRO 81 HB3 PRO 81 -6.640 -9.049 7.875 720 HG2 PRO 81 HG2 PRO 81 -4.124 -8.354 7.219 721 HG3 PRO 81 HG3 PRO 81 -4.847 -9.885 6.691 722 HD2 PRO 81 HD2 PRO 81 -4.462 -7.340 5.157 723 HD3 PRO 81 HD3 PRO 81 -4.228 -9.021 4.629 724 H ALA 82 H ALA 82 -8.912 -7.517 7.577 725 HA ALA 82 HA ALA 82 -9.981 -5.391 5.948 726 HB1 ALA 82 HB1 ALA 82 -11.379 -6.826 7.412 727 HB2 ALA 82 HB2 ALA 82 -11.597 -5.102 7.695 728 HB3 ALA 82 HB3 ALA 82 -10.630 -6.063 8.815 729 H MET 83 H MET 83 -7.349 -4.888 6.346 730 HA MET 83 HA MET 83 -7.241 -2.765 8.380 731 HB2 MET 83 HB2 MET 83 -4.940 -4.145 6.976 732 HB3 MET 83 HB3 MET 83 -4.811 -2.969 8.276 733 HG2 MET 83 HG2 MET 83 -5.891 -4.519 9.808 734 HG3 MET 83 HG3 MET 83 -6.065 -5.695 8.507 735 HE1 MET 83 HE1 MET 83 -4.864 -7.610 9.844 736 HE2 MET 83 HE2 MET 83 -4.766 -6.518 11.225 737 HE3 MET 83 HE3 MET 83 -3.333 -7.396 10.693 738 H ASP 84 H ASP 84 -5.812 -0.885 7.679 739 HA ASP 84 HA ASP 84 -6.510 -0.206 4.902 740 HB2 ASP 84 HB2 ASP 84 -7.593 1.097 6.833 741 HB3 ASP 84 HB3 ASP 84 -5.998 1.789 7.106 742 H PHE 85 H PHE 85 -4.903 0.253 3.549 743 HA PHE 85 HA PHE 85 -2.214 0.608 4.691 744 HB2 PHE 85 HB2 PHE 85 -2.972 -0.981 2.231 745 HB3 PHE 85 HB3 PHE 85 -1.324 -0.669 2.763 746 HD1 PHE 85 HD1 PHE 85 -0.525 -1.646 4.910 747 HD2 PHE 85 HD2 PHE 85 -4.259 -2.725 3.175 748 HE1 PHE 85 HE1 PHE 85 -0.591 -3.666 6.316 749 HE2 PHE 85 HE2 PHE 85 -4.328 -4.747 4.573 750 HZ PHE 85 HZ PHE 85 -2.494 -5.218 6.148 751 H VAL 86 H VAL 86 -0.917 2.115 3.777 752 HA VAL 86 HA VAL 86 -2.170 3.850 1.785 753 HB VAL 86 HB VAL 86 -0.386 5.491 2.396 754 HG11 VAL 86 HG11 VAL 86 -1.372 6.095 4.570 755 HG12 VAL 86 HG12 VAL 86 -2.139 4.508 4.649 756 HG13 VAL 86 HG13 VAL 86 -2.598 5.648 3.383 757 HG21 VAL 86 HG21 VAL 86 0.232 3.515 4.593 758 HG22 VAL 86 HG22 VAL 86 0.887 5.145 4.458 759 HG23 VAL 86 HG23 VAL 86 1.291 3.931 3.245 760 H VAL 87 H VAL 87 -1.512 3.840 -0.228 761 HA VAL 87 HA VAL 87 0.902 2.311 -0.908 762 HB VAL 87 HB VAL 87 -1.352 3.176 -2.731 763 HG11 VAL 87 HG11 VAL 87 0.923 1.239 -3.133 764 HG12 VAL 87 HG12 VAL 87 0.723 2.805 -3.922 765 HG13 VAL 87 HG13 VAL 87 -0.408 1.494 -4.264 766 HG21 VAL 87 HG21 VAL 87 -2.179 1.628 -1.049 767 HG22 VAL 87 HG22 VAL 87 -0.863 0.511 -1.410 768 HG23 VAL 87 HG23 VAL 87 -2.098 0.839 -2.625 769 H VAL 88 H VAL 88 2.587 3.672 -0.900 770 HA VAL 88 HA VAL 88 2.231 6.424 -1.771 771 HB VAL 88 HB VAL 88 4.726 5.098 -0.699 772 HG11 VAL 88 HG11 VAL 88 5.467 7.379 -0.235 773 HG12 VAL 88 HG12 VAL 88 3.985 8.013 -0.950 774 HG13 VAL 88 HG13 VAL 88 5.151 7.154 -1.957 775 HG21 VAL 88 HG21 VAL 88 4.149 6.091 1.451 776 HG22 VAL 88 HG22 VAL 88 2.884 4.984 0.915 777 HG23 VAL 88 HG23 VAL 88 2.652 6.727 0.767 778 H ALA 89 H ALA 89 2.459 6.927 -3.813 779 HA ALA 89 HA ALA 89 3.816 5.271 -5.712 780 HB1 ALA 89 HB1 ALA 89 1.916 6.566 -6.426 781 HB2 ALA 89 HB2 ALA 89 3.346 7.152 -7.275 782 HB3 ALA 89 HB3 ALA 89 2.694 8.064 -5.918 783 H LYS 90 H LYS 90 5.865 5.448 -6.480 784 HA LYS 90 HA LYS 90 7.557 7.492 -5.196 785 HB2 LYS 90 HB2 LYS 90 8.278 4.715 -6.148 786 HB3 LYS 90 HB3 LYS 90 9.422 5.880 -5.500 787 HG2 LYS 90 HG2 LYS 90 7.067 4.770 -3.992 788 HG3 LYS 90 HG3 LYS 90 8.723 4.174 -3.864 789 HD2 LYS 90 HD2 LYS 90 9.465 6.328 -3.036 790 HD3 LYS 90 HD3 LYS 90 7.846 6.995 -3.250 791 HE2 LYS 90 HE2 LYS 90 6.965 5.483 -1.581 792 HE3 LYS 90 HE3 LYS 90 8.537 4.702 -1.418 793 HZ1 LYS 90 HZ1 LYS 90 9.454 6.724 -0.546 794 HZ2 LYS 90 HZ2 LYS 90 8.079 6.318 0.355 795 HZ3 LYS 90 HZ3 LYS 90 8.000 7.561 -0.801 796 H LYS 91 H LYS 91 9.718 7.672 -6.511 797 HA LYS 91 HA LYS 91 9.093 8.925 -8.960 798 HB2 LYS 91 HB2 LYS 91 10.946 9.677 -7.598 799 HB3 LYS 91 HB3 LYS 91 11.738 8.116 -7.747 800 HG2 LYS 91 HG2 LYS 91 12.771 9.811 -9.159 801 HG3 LYS 91 HG3 LYS 91 12.093 8.491 -10.114 802 HD2 LYS 91 HD2 LYS 91 10.165 9.843 -10.671 803 HD3 LYS 91 HD3 LYS 91 10.741 11.142 -9.623 804 HE2 LYS 91 HE2 LYS 91 12.627 11.537 -11.032 805 HE3 LYS 91 HE3 LYS 91 12.285 10.095 -11.985 806 HZ1 LYS 91 HZ1 LYS 91 10.341 11.097 -12.862 807 HZ2 LYS 91 HZ2 LYS 91 11.599 12.221 -13.037 808 HZ3 LYS 91 HZ3 LYS 91 10.450 12.420 -11.804 809 H GLY 92 H GLY 92 8.586 7.929 -10.786 810 HA2 GLY 92 HA2 GLY 92 9.752 6.634 -12.601 811 HA3 GLY 92 HA3 GLY 92 9.934 5.372 -11.391 812 H VAL 93 H VAL 93 7.174 6.104 -10.343 813 HA VAL 93 HA VAL 93 5.851 4.051 -11.817 814 HB VAL 93 HB VAL 93 5.558 4.518 -9.355 815 HG11 VAL 93 HG11 VAL 93 5.245 6.906 -9.429 816 HG12 VAL 93 HG12 VAL 93 3.833 6.135 -8.713 817 HG13 VAL 93 HG13 VAL 93 3.769 6.716 -10.375 818 HG21 VAL 93 HG21 VAL 93 3.080 4.267 -11.055 819 HG22 VAL 93 HG22 VAL 93 3.177 3.886 -9.335 820 HG23 VAL 93 HG23 VAL 93 4.120 2.956 -10.498 821 H ALA 94 H ALA 94 5.982 7.474 -12.139 822 HA ALA 94 HA ALA 94 3.491 7.632 -13.625 823 HB1 ALA 94 HB1 ALA 94 4.146 9.487 -12.166 824 HB2 ALA 94 HB2 ALA 94 3.992 10.007 -13.843 825 HB3 ALA 94 HB3 ALA 94 5.590 9.745 -13.145 826 H ASP 95 H ASP 95 6.404 6.419 -14.322 827 HA ASP 95 HA ASP 95 5.941 6.718 -17.171 828 HB2 ASP 95 HB2 ASP 95 7.521 8.529 -16.760 829 HB3 ASP 95 HB3 ASP 95 8.598 7.432 -15.904 830 H LEU 96 H LEU 96 5.348 4.559 -17.051 831 HA LEU 96 HA LEU 96 7.601 2.700 -16.718 832 HB2 LEU 96 HB2 LEU 96 4.757 2.315 -15.777 833 HB3 LEU 96 HB3 LEU 96 5.937 1.023 -15.872 834 HG LEU 96 HG LEU 96 6.211 3.476 -14.132 835 HD11 LEU 96 HD11 LEU 96 4.376 2.006 -13.421 836 HD12 LEU 96 HD12 LEU 96 5.718 1.985 -12.276 837 HD13 LEU 96 HD13 LEU 96 5.492 0.641 -13.396 838 HD21 LEU 96 HD21 LEU 96 7.841 0.937 -14.283 839 HD22 LEU 96 HD22 LEU 96 8.062 2.235 -13.109 840 HD23 LEU 96 HD23 LEU 96 8.359 2.535 -14.822 841 H ASP 97 H ASP 97 7.244 0.632 -17.866 842 HA ASP 97 HA ASP 97 6.290 1.037 -20.521 843 HB2 ASP 97 HB2 ASP 97 8.153 -0.499 -19.970 844 HB3 ASP 97 HB3 ASP 97 7.029 -1.535 -19.098 845 H ASN 98 H ASN 98 4.411 0.264 -21.501 846 HA ASN 98 HA ASN 98 2.120 0.297 -19.839 847 HB2 ASN 98 HB2 ASN 98 2.136 1.097 -22.184 848 HB3 ASN 98 HB3 ASN 98 2.334 -0.562 -22.734 849 HD21 ASN 98 HD21 ASN 98 0.599 -1.977 -22.628 850 HD22 ASN 98 HD22 ASN 98 -1.024 -1.439 -22.353 851 H ARG 99 H ARG 99 4.078 -2.257 -21.095 852 HA ARG 99 HA ARG 99 2.149 -4.341 -20.504 853 HB2 ARG 99 HB2 ARG 99 3.370 -4.956 -22.341 854 HB3 ARG 99 HB3 ARG 99 4.817 -4.130 -21.795 855 HG2 ARG 99 HG2 ARG 99 4.845 -6.054 -20.004 856 HG3 ARG 99 HG3 ARG 99 3.871 -6.886 -21.222 857 HD2 ARG 99 HD2 ARG 99 6.331 -7.285 -21.423 858 HD3 ARG 99 HD3 ARG 99 5.580 -6.611 -22.870 859 HE ARG 99 HE ARG 99 6.409 -4.391 -21.623 860 HH11 ARG 99 HH11 ARG 99 8.099 -7.411 -22.236 861 HH12 ARG 99 HH12 ARG 99 9.641 -6.631 -22.430 862 HH21 ARG 99 HH21 ARG 99 8.421 -3.397 -21.862 863 HH22 ARG 99 HH22 ARG 99 9.832 -4.357 -22.207 864 H ALA 100 H ALA 100 4.644 -2.645 -18.899 865 HA ALA 100 HA ALA 100 5.612 -4.749 -17.246 866 HB1 ALA 100 HB1 ALA 100 6.944 -2.765 -17.830 867 HB2 ALA 100 HB2 ALA 100 6.861 -3.050 -16.090 868 HB3 ALA 100 HB3 ALA 100 5.878 -1.782 -16.823 869 H LEU 101 H LEU 101 2.692 -3.134 -17.140 870 HA LEU 101 HA LEU 101 2.388 -2.852 -14.331 871 HB2 LEU 101 HB2 LEU 101 -0.040 -2.734 -14.789 872 HB3 LEU 101 HB3 LEU 101 0.907 -1.618 -15.744 873 HG LEU 101 HG LEU 101 0.726 -3.433 -17.606 874 HD11 LEU 101 HD11 LEU 101 -1.639 -4.167 -15.882 875 HD12 LEU 101 HD12 LEU 101 -0.236 -5.188 -16.195 876 HD13 LEU 101 HD13 LEU 101 -1.320 -4.752 -17.515 877 HD21 LEU 101 HD21 LEU 101 -1.364 -2.429 -18.372 878 HD22 LEU 101 HD22 LEU 101 -0.279 -1.211 -17.701 879 HD23 LEU 101 HD23 LEU 101 -1.653 -1.785 -16.756 880 H SER 102 H SER 102 2.200 -5.518 -16.510 881 HA SER 102 HA SER 102 0.772 -7.287 -14.794 882 HB2 SER 102 HB2 SER 102 2.681 -7.990 -17.037 883 HB3 SER 102 HB3 SER 102 1.427 -9.023 -16.353 884 HG SER 102 HG SER 102 -0.107 -7.871 -17.339 885 H GLU 103 H GLU 103 4.024 -6.181 -14.968 886 HA GLU 103 HA GLU 103 5.133 -8.359 -13.433 887 HB2 GLU 103 HB2 GLU 103 6.281 -5.643 -14.112 888 HB3 GLU 103 HB3 GLU 103 7.170 -6.955 -13.351 889 HG2 GLU 103 HG2 GLU 103 6.030 -6.891 -16.132 890 HG3 GLU 103 HG3 GLU 103 7.730 -6.914 -15.664 891 H ALA 104 H ALA 104 4.279 -4.969 -12.881 892 HA ALA 104 HA ALA 104 4.932 -4.862 -10.156 893 HB1 ALA 104 HB1 ALA 104 4.472 -2.871 -11.515 894 HB2 ALA 104 HB2 ALA 104 3.486 -2.904 -10.053 895 HB3 ALA 104 HB3 ALA 104 2.773 -3.333 -11.606 896 H LEU 105 H LEU 105 2.079 -6.002 -11.833 897 HA LEU 105 HA LEU 105 0.358 -6.186 -9.611 898 HB2 LEU 105 HB2 LEU 105 -0.395 -6.241 -11.954 899 HB3 LEU 105 HB3 LEU 105 0.360 -7.809 -12.155 900 HG LEU 105 HG LEU 105 -1.187 -8.761 -10.487 901 HD11 LEU 105 HD11 LEU 105 -2.452 -6.022 -10.532 902 HD12 LEU 105 HD12 LEU 105 -1.605 -6.755 -9.171 903 HD13 LEU 105 HD13 LEU 105 -3.118 -7.453 -9.745 904 HD21 LEU 105 HD21 LEU 105 -1.748 -8.887 -12.848 905 HD22 LEU 105 HD22 LEU 105 -2.517 -7.302 -12.768 906 HD23 LEU 105 HD23 LEU 105 -3.207 -8.662 -11.881 907 H GLU 106 H GLU 106 2.749 -8.440 -10.947 908 HA GLU 106 HA GLU 106 1.860 -10.628 -9.344 909 HB2 GLU 106 HB2 GLU 106 3.537 -11.896 -10.301 910 HB3 GLU 106 HB3 GLU 106 3.256 -10.687 -11.541 911 HG2 GLU 106 HG2 GLU 106 5.452 -10.376 -11.539 912 HG3 GLU 106 HG3 GLU 106 5.233 -9.551 -9.996 913 H LYS 107 H LYS 107 4.171 -8.031 -8.916 914 HA LYS 107 HA LYS 107 5.408 -9.130 -6.588 915 HB2 LYS 107 HB2 LYS 107 5.137 -6.164 -7.012 916 HB3 LYS 107 HB3 LYS 107 6.463 -7.053 -6.286 917 HG2 LYS 107 HG2 LYS 107 5.801 -6.759 -9.198 918 HG3 LYS 107 HG3 LYS 107 7.241 -6.213 -8.343 919 HD2 LYS 107 HD2 LYS 107 6.449 -9.080 -8.842 920 HD3 LYS 107 HD3 LYS 107 7.701 -8.188 -9.701 921 HE2 LYS 107 HE2 LYS 107 8.999 -7.994 -7.662 922 HE3 LYS 107 HE3 LYS 107 7.719 -8.794 -6.745 923 HZ1 LYS 107 HZ1 LYS 107 9.340 -9.985 -8.931 924 HZ2 LYS 107 HZ2 LYS 107 8.033 -10.757 -8.170 925 HZ3 LYS 107 HZ3 LYS 107 9.431 -10.378 -7.282 926 H LEU 108 H LEU 108 2.643 -7.096 -7.238 927 HA LEU 108 HA LEU 108 2.004 -6.593 -4.484 928 HB2 LEU 108 HB2 LEU 108 1.437 -5.042 -6.330 929 HB3 LEU 108 HB3 LEU 108 0.336 -6.240 -6.981 930 HG LEU 108 HG LEU 108 -1.060 -6.051 -4.961 931 HD11 LEU 108 HD11 LEU 108 0.863 -3.864 -4.178 932 HD12 LEU 108 HD12 LEU 108 0.682 -5.420 -3.370 933 HD13 LEU 108 HD13 LEU 108 -0.646 -4.260 -3.356 934 HD21 LEU 108 HD21 LEU 108 -1.926 -3.806 -5.412 935 HD22 LEU 108 HD22 LEU 108 -1.549 -4.666 -6.906 936 HD23 LEU 108 HD23 LEU 108 -0.454 -3.419 -6.306 937 H TRP 109 H TRP 109 1.922 -9.345 -6.168 938 HA TRP 109 HA TRP 109 -0.457 -10.339 -4.742 939 HB2 TRP 109 HB2 TRP 109 -0.466 -10.505 -7.283 940 HB3 TRP 109 HB3 TRP 109 0.852 -11.661 -7.127 941 HD1 TRP 109 HD1 TRP 109 -2.890 -11.323 -6.761 942 HE1 TRP 109 HE1 TRP 109 -3.923 -13.626 -6.281 943 HE3 TRP 109 HE3 TRP 109 1.400 -13.997 -5.969 944 HZ2 TRP 109 HZ2 TRP 109 -3.046 -16.230 -5.657 945 HZ3 TRP 109 HZ3 TRP 109 1.210 -16.392 -5.438 946 HH2 TRP 109 HH2 TRP 109 -0.968 -17.485 -5.285 947 H ARG 110 H ARG 110 2.653 -11.512 -6.014 948 HA ARG 110 HA ARG 110 2.703 -13.799 -4.379 949 HB2 ARG 110 HB2 ARG 110 3.892 -13.783 -6.457 950 HB3 ARG 110 HB3 ARG 110 4.868 -12.410 -5.954 951 HG2 ARG 110 HG2 ARG 110 6.274 -13.684 -4.727 952 HG3 ARG 110 HG3 ARG 110 5.013 -14.829 -4.266 953 HD2 ARG 110 HD2 ARG 110 6.707 -15.830 -5.744 954 HD3 ARG 110 HD3 ARG 110 5.093 -15.859 -6.442 955 HE ARG 110 HE ARG 110 6.077 -13.655 -7.559 956 HH11 ARG 110 HH11 ARG 110 7.592 -16.776 -7.068 957 HH12 ARG 110 HH12 ARG 110 8.467 -16.733 -8.572 958 HH21 ARG 110 HH21 ARG 110 7.231 -13.585 -9.550 959 HH22 ARG 110 HH22 ARG 110 8.281 -14.915 -9.970 960 H ARG 111 H ARG 111 4.573 -10.762 -4.096 961 HA ARG 111 HA ARG 111 5.779 -11.561 -1.632 962 HB2 ARG 111 HB2 ARG 111 6.842 -9.935 -3.140 963 HB3 ARG 111 HB3 ARG 111 5.524 -8.812 -2.860 964 HG2 ARG 111 HG2 ARG 111 7.436 -8.150 -1.569 965 HG3 ARG 111 HG3 ARG 111 6.157 -8.689 -0.485 966 HD2 ARG 111 HD2 ARG 111 8.232 -10.636 -1.372 967 HD3 ARG 111 HD3 ARG 111 8.645 -9.454 -0.137 968 HE ARG 111 HE ARG 111 6.277 -10.621 0.688 969 HH11 ARG 111 HH11 ARG 111 9.518 -11.698 -0.053 970 HH12 ARG 111 HH12 ARG 111 9.513 -12.986 1.113 971 HH21 ARG 111 HH21 ARG 111 6.272 -12.304 2.282 972 HH22 ARG 111 HH22 ARG 111 7.674 -13.310 2.463 973 H HIS 112 H HIS 112 2.789 -10.148 -2.513 974 HA HIS 112 HA HIS 112 2.275 -8.849 -0.002 975 HB2 HIS 112 HB2 HIS 112 1.276 -8.041 -2.113 976 HB3 HIS 112 HB3 HIS 112 0.371 -9.545 -2.252 977 HD1 HIS 112 HD1 HIS 112 -1.762 -9.787 -0.862 978 HD2 HIS 112 HD2 HIS 112 0.369 -6.287 -0.076 979 HE1 HIS 112 HE1 HIS 112 -3.274 -8.360 0.565 980 HE2 HIS 112 HE2 HIS 112 -1.975 -6.251 1.018 981 H CYS 113 H CYS 113 1.073 -11.777 -1.625 982 HA CYS 113 HA CYS 113 -0.630 -12.628 0.438 983 HB2 CYS 113 HB2 CYS 113 -0.595 -13.484 -1.929 984 HB3 CYS 113 HB3 CYS 113 0.857 -14.392 -1.521 985 HG CYS 113 HG CYS 113 -2.347 -15.059 -0.850 986 H ARG 114 H ARG 114 2.795 -13.175 -0.164 987 HA ARG 114 HA ARG 114 3.058 -14.947 2.108 988 HB2 ARG 114 HB2 ARG 114 5.120 -13.765 0.243 989 HB3 ARG 114 HB3 ARG 114 5.482 -14.918 1.522 990 HG2 ARG 114 HG2 ARG 114 3.648 -15.429 -0.812 991 HG3 ARG 114 HG3 ARG 114 5.323 -15.970 -0.688 992 HD2 ARG 114 HD2 ARG 114 4.767 -17.316 1.258 993 HD3 ARG 114 HD3 ARG 114 3.106 -16.725 1.214 994 HE ARG 114 HE ARG 114 3.187 -17.801 -1.155 995 HH11 ARG 114 HH11 ARG 114 4.555 -19.066 1.813 996 HH12 ARG 114 HH12 ARG 114 4.462 -20.726 1.291 997 HH21 ARG 114 HH21 ARG 114 3.058 -19.972 -1.839 998 HH22 ARG 114 HH22 ARG 114 3.646 -21.234 -0.792 999 H LEU 115 H LEU 115 2.556 -11.777 1.983 1000 HA LEU 115 HA LEU 115 4.510 -11.038 4.032 1001 HB2 LEU 115 HB2 LEU 115 4.029 -9.443 2.206 1002 HB3 LEU 115 HB3 LEU 115 2.350 -9.387 2.712 1003 HG LEU 115 HG LEU 115 3.126 -8.479 4.919 1004 HD11 LEU 115 HD11 LEU 115 5.379 -7.500 5.004 1005 HD12 LEU 115 HD12 LEU 115 5.757 -8.274 3.465 1006 HD13 LEU 115 HD13 LEU 115 5.411 -9.259 4.886 1007 HD21 LEU 115 HD21 LEU 115 3.835 -6.866 2.470 1008 HD22 LEU 115 HD22 LEU 115 3.491 -6.222 4.076 1009 HD23 LEU 115 HD23 LEU 115 2.223 -7.040 3.164 1010 H ALA 116 H ALA 116 1.119 -11.713 3.580 1011 HA ALA 116 HA ALA 116 0.281 -10.815 6.157 1012 HB1 ALA 116 HB1 ALA 116 -1.268 -10.923 4.266 1013 HB2 ALA 116 HB2 ALA 116 -1.839 -11.895 5.622 1014 HB3 ALA 116 HB3 ALA 116 -1.098 -12.677 4.226 1015 H ARG 117 H ARG 117 1.585 -13.741 4.853 1016 HA ARG 117 HA ARG 117 0.873 -15.340 7.154 1017 HB2 ARG 117 HB2 ARG 117 2.770 -15.979 4.886 1018 HB3 ARG 117 HB3 ARG 117 2.136 -17.122 6.063 1019 HG2 ARG 117 HG2 ARG 117 0.543 -15.627 3.988 1020 HG3 ARG 117 HG3 ARG 117 0.980 -17.336 3.949 1021 HD2 ARG 117 HD2 ARG 117 -0.689 -16.060 6.109 1022 HD3 ARG 117 HD3 ARG 117 -1.359 -16.878 4.700 1023 HE ARG 117 HE ARG 117 0.429 -18.633 5.954 1024 HH11 ARG 117 HH11 ARG 117 -2.626 -17.055 6.647 1025 HH12 ARG 117 HH12 ARG 117 -3.232 -18.367 7.609 1026 HH21 ARG 117 HH21 ARG 117 -0.381 -20.364 7.220 1027 HH22 ARG 117 HH22 ARG 117 -1.951 -20.223 7.952 1028 H GLY 118 H GLY 118 1.821 -14.450 8.924 1029 HA2 GLY 118 HA2 GLY 118 4.148 -15.060 9.963 1030 HA3 GLY 118 HA3 GLY 118 4.679 -13.825 8.831 1031 H SER 119 H SER 119 1.691 -12.859 9.699 1032 HA SER 119 HA SER 119 2.461 -11.680 12.252 1033 HB2 SER 119 HB2 SER 119 1.434 -10.065 9.905 1034 HB3 SER 119 HB3 SER 119 1.719 -9.445 11.531 1035 HG SER 119 HG SER 119 3.946 -10.623 10.851 Start of MODEL 9 1 H1 MET 1 H1 MET 1 3.949 -7.476 26.195 2 H2 MET 1 H2 MET 1 2.680 -7.867 27.253 3 H3 MET 1 H3 MET 1 3.120 -6.246 27.025 4 HA MET 1 HA MET 1 1.974 -8.044 24.971 5 HB2 MET 1 HB2 MET 1 0.782 -5.781 26.569 6 HB3 MET 1 HB3 MET 1 0.052 -6.379 25.086 7 HG2 MET 1 HG2 MET 1 -0.108 -8.618 26.120 8 HG3 MET 1 HG3 MET 1 0.519 -7.934 27.618 9 HE1 MET 1 HE1 MET 1 -2.463 -8.012 25.076 10 HE2 MET 1 HE2 MET 1 -1.968 -6.322 25.021 11 HE3 MET 1 HE3 MET 1 -3.524 -6.762 25.723 12 H VAL 2 H VAL 2 4.280 -5.778 25.323 13 HA VAL 2 HA VAL 2 3.555 -3.940 23.251 14 HB VAL 2 HB VAL 2 6.322 -4.632 24.264 15 HG11 VAL 2 HG11 VAL 2 5.325 -2.232 22.734 16 HG12 VAL 2 HG12 VAL 2 6.361 -3.511 22.104 17 HG13 VAL 2 HG13 VAL 2 6.957 -2.440 23.371 18 HG21 VAL 2 HG21 VAL 2 4.407 -2.473 25.139 19 HG22 VAL 2 HG22 VAL 2 6.088 -2.607 25.655 20 HG23 VAL 2 HG23 VAL 2 4.928 -3.865 26.087 21 H LYS 3 H LYS 3 3.080 -4.790 21.317 22 HA LYS 3 HA LYS 3 5.051 -6.389 19.909 23 HB2 LYS 3 HB2 LYS 3 3.667 -8.014 21.223 24 HB3 LYS 3 HB3 LYS 3 2.242 -7.425 20.382 25 HG2 LYS 3 HG2 LYS 3 2.872 -9.442 19.332 26 HG3 LYS 3 HG3 LYS 3 3.336 -8.141 18.235 27 HD2 LYS 3 HD2 LYS 3 5.629 -8.320 18.884 28 HD3 LYS 3 HD3 LYS 3 5.230 -9.444 20.186 29 HE2 LYS 3 HE2 LYS 3 4.441 -11.065 18.501 30 HE3 LYS 3 HE3 LYS 3 4.927 -9.947 17.227 31 HZ1 LYS 3 HZ1 LYS 3 6.772 -11.114 19.246 32 HZ2 LYS 3 HZ2 LYS 3 7.199 -10.140 17.921 33 HZ3 LYS 3 HZ3 LYS 3 6.576 -11.694 17.664 34 H LEU 4 H LEU 4 1.557 -5.946 19.532 35 HA LEU 4 HA LEU 4 2.011 -4.738 16.904 36 HB2 LEU 4 HB2 LEU 4 0.489 -6.746 17.259 37 HB3 LEU 4 HB3 LEU 4 -0.603 -5.664 18.096 38 HG LEU 4 HG LEU 4 -1.081 -6.231 15.629 39 HD11 LEU 4 HD11 LEU 4 -2.294 -4.511 16.834 40 HD12 LEU 4 HD12 LEU 4 -1.953 -3.988 15.185 41 HD13 LEU 4 HD13 LEU 4 -0.997 -3.354 16.524 42 HD21 LEU 4 HD21 LEU 4 1.169 -5.872 14.775 43 HD22 LEU 4 HD22 LEU 4 1.100 -4.180 15.264 44 HD23 LEU 4 HD23 LEU 4 0.026 -4.776 13.998 45 H ALA 5 H ALA 5 0.631 -4.153 20.050 46 HA ALA 5 HA ALA 5 -0.244 -1.479 19.290 47 HB1 ALA 5 HB1 ALA 5 -1.191 -1.370 21.552 48 HB2 ALA 5 HB2 ALA 5 -0.502 -2.954 21.914 49 HB3 ALA 5 HB3 ALA 5 -1.755 -2.796 20.682 50 H PHE 6 H PHE 6 0.482 0.372 20.492 51 HA PHE 6 HA PHE 6 3.222 0.021 21.508 52 HB2 PHE 6 HB2 PHE 6 2.069 2.231 19.802 53 HB3 PHE 6 HB3 PHE 6 3.600 2.387 20.659 54 HD1 PHE 6 HD2 PHE 6 1.835 0.607 17.967 55 HD2 PHE 6 HD1 PHE 6 5.569 1.297 19.890 56 HE1 PHE 6 HE2 PHE 6 2.998 -0.492 16.097 57 HE2 PHE 6 HE1 PHE 6 6.739 0.200 18.023 58 HZ PHE 6 HZ PHE 6 5.451 -0.697 16.123 59 HA PRO 7 HA PRO 7 1.568 2.024 25.135 60 HB2 PRO 7 HB2 PRO 7 3.763 1.810 26.655 61 HB3 PRO 7 HB3 PRO 7 2.794 0.391 26.242 62 HG2 PRO 7 HG2 PRO 7 5.368 1.339 25.057 63 HG3 PRO 7 HG3 PRO 7 4.857 -0.311 25.457 64 HD2 PRO 7 HD2 PRO 7 4.762 0.782 22.924 65 HD3 PRO 7 HD3 PRO 7 3.760 -0.573 23.472 66 H ARG 8 H ARG 8 1.994 3.954 26.387 67 HA ARG 8 HA ARG 8 3.246 6.020 24.818 68 HB2 ARG 8 HB2 ARG 8 2.523 7.518 26.724 69 HB3 ARG 8 HB3 ARG 8 1.234 6.675 25.882 70 HG2 ARG 8 HG2 ARG 8 0.507 6.183 27.934 71 HG3 ARG 8 HG3 ARG 8 1.770 4.951 27.919 72 HD2 ARG 8 HD2 ARG 8 3.315 6.649 28.915 73 HD3 ARG 8 HD3 ARG 8 1.929 7.725 29.080 74 HE ARG 8 HE ARG 8 0.938 5.931 30.513 75 HH11 ARG 8 HH11 ARG 8 4.401 6.217 30.108 76 HH12 ARG 8 HH12 ARG 8 4.771 5.533 31.660 77 HH21 ARG 8 HH21 ARG 8 1.424 4.964 32.533 78 HH22 ARG 8 HH22 ARG 8 3.085 4.773 33.014 79 H GLU 9 H GLU 9 5.384 5.630 24.728 80 HA GLU 9 HA GLU 9 6.917 6.289 27.100 81 HB2 GLU 9 HB2 GLU 9 6.662 3.849 27.255 82 HB3 GLU 9 HB3 GLU 9 7.326 3.677 25.634 83 HG2 GLU 9 HG2 GLU 9 9.419 4.740 26.459 84 HG3 GLU 9 HG3 GLU 9 8.740 4.678 28.085 85 H LEU 10 H LEU 10 7.509 4.792 23.913 86 HA LEU 10 HA LEU 10 9.751 6.316 23.245 87 HB2 LEU 10 HB2 LEU 10 8.950 4.251 22.072 88 HB3 LEU 10 HB3 LEU 10 7.668 5.201 21.352 89 HG LEU 10 HG LEU 10 10.536 5.966 20.903 90 HD11 LEU 10 HD11 LEU 10 10.577 4.567 18.918 91 HD12 LEU 10 HD12 LEU 10 8.982 3.931 19.318 92 HD13 LEU 10 HD13 LEU 10 10.358 3.581 20.366 93 HD21 LEU 10 HD21 LEU 10 8.789 7.525 20.186 94 HD22 LEU 10 HD22 LEU 10 8.037 6.246 19.234 95 HD23 LEU 10 HD23 LEU 10 9.641 6.838 18.803 96 H ARG 11 H ARG 11 6.393 6.742 22.200 97 HA ARG 11 HA ARG 11 6.225 9.414 23.010 98 HB2 ARG 11 HB2 ARG 11 7.619 9.265 20.638 99 HB3 ARG 11 HB3 ARG 11 5.967 9.495 20.079 100 HG2 ARG 11 HG2 ARG 11 7.190 11.612 20.344 101 HG3 ARG 11 HG3 ARG 11 5.762 11.520 21.382 102 HD2 ARG 11 HD2 ARG 11 7.185 10.847 23.260 103 HD3 ARG 11 HD3 ARG 11 8.604 10.962 22.225 104 HE ARG 11 HE ARG 11 7.916 13.409 22.013 105 HH11 ARG 11 HH11 ARG 11 7.247 11.437 24.832 106 HH12 ARG 11 HH12 ARG 11 7.362 12.766 25.945 107 HH21 ARG 11 HH21 ARG 11 8.077 15.161 23.487 108 HH22 ARG 11 HH22 ARG 11 7.826 14.880 25.185 109 H LEU 12 H LEU 12 4.071 10.196 22.747 110 HA LEU 12 HA LEU 12 2.201 8.046 22.115 111 HB2 LEU 12 HB2 LEU 12 1.977 9.319 24.242 112 HB3 LEU 12 HB3 LEU 12 1.650 10.764 23.306 113 HG LEU 12 HG LEU 12 -0.396 9.758 22.423 114 HD11 LEU 12 HD11 LEU 12 -1.207 7.627 23.282 115 HD12 LEU 12 HD12 LEU 12 0.279 7.422 24.210 116 HD13 LEU 12 HD13 LEU 12 0.333 7.416 22.447 117 HD21 LEU 12 HD21 LEU 12 -0.176 9.598 25.425 118 HD22 LEU 12 HD22 LEU 12 -1.677 9.728 24.508 119 HD23 LEU 12 HD23 LEU 12 -0.509 11.051 24.485 120 H LEU 13 H LEU 13 1.932 7.914 19.990 121 HA LEU 13 HA LEU 13 1.985 10.168 18.256 122 HB2 LEU 13 HB2 LEU 13 1.065 7.339 17.722 123 HB3 LEU 13 HB3 LEU 13 1.333 8.561 16.496 124 HG LEU 13 HG LEU 13 3.760 8.616 17.514 125 HD11 LEU 13 HD11 LEU 13 3.312 7.111 19.369 126 HD12 LEU 13 HD12 LEU 13 4.500 6.411 18.266 127 HD13 LEU 13 HD13 LEU 13 2.828 5.844 18.240 128 HD21 LEU 13 HD21 LEU 13 4.449 6.946 15.873 129 HD22 LEU 13 HD22 LEU 13 3.216 8.024 15.218 130 HD23 LEU 13 HD23 LEU 13 2.781 6.394 15.731 131 H THR 14 H THR 14 0.367 11.324 17.398 132 HA THR 14 HA THR 14 -2.115 11.374 18.763 133 HB THR 14 HB THR 14 -2.663 13.120 16.978 134 HG1 THR 14 HG1 THR 14 -1.202 12.429 15.378 135 HG21 THR 14 HG21 THR 14 -0.174 13.447 18.661 136 HG22 THR 14 HG22 THR 14 -1.834 13.719 19.191 137 HG23 THR 14 HG23 THR 14 -1.117 14.765 17.966 138 HA PRO 15 HA PRO 15 -4.585 8.598 16.379 139 HB2 PRO 15 HB2 PRO 15 -6.784 10.557 16.695 140 HB3 PRO 15 HB3 PRO 15 -6.703 8.863 17.195 141 HG2 PRO 15 HG2 PRO 15 -6.553 10.835 18.989 142 HG3 PRO 15 HG3 PRO 15 -5.582 9.360 19.162 143 HD2 PRO 15 HD2 PRO 15 -4.759 12.071 18.192 144 HD3 PRO 15 HD3 PRO 15 -3.884 10.937 19.243 145 H SER 16 H SER 16 -3.658 8.838 14.367 146 HA SER 16 HA SER 16 -5.385 9.946 12.372 147 HB2 SER 16 HB2 SER 16 -4.043 11.961 12.934 148 HB3 SER 16 HB3 SER 16 -2.565 11.053 12.616 149 HG SER 16 HG SER 16 -4.570 11.273 10.637 150 H GLN 17 H GLN 17 -5.009 8.917 10.373 151 HA GLN 17 HA GLN 17 -3.810 6.368 10.640 152 HB2 GLN 17 HB2 GLN 17 -4.851 7.806 8.201 153 HB3 GLN 17 HB3 GLN 17 -4.307 6.135 8.195 154 HG2 GLN 17 HG2 GLN 17 -6.589 7.236 9.828 155 HG3 GLN 17 HG3 GLN 17 -6.736 6.308 8.337 156 HE21 GLN 17 HE21 GLN 17 -7.911 4.676 9.311 157 HE22 GLN 17 HE22 GLN 17 -7.197 3.543 10.398 158 H PHE 18 H PHE 18 -2.690 9.390 9.291 159 HA PHE 18 HA PHE 18 -0.458 8.374 7.876 160 HB2 PHE 18 HB2 PHE 18 -0.900 11.102 9.110 161 HB3 PHE 18 HB3 PHE 18 0.387 10.708 7.976 162 HD1 PHE 18 HD1 PHE 18 -3.195 11.303 8.374 163 HD2 PHE 18 HD2 PHE 18 -0.082 10.360 5.630 164 HE1 PHE 18 HE1 PHE 18 -4.695 11.834 6.497 165 HE2 PHE 18 HE2 PHE 18 -1.577 10.888 3.748 166 HZ PHE 18 HZ PHE 18 -3.886 11.628 4.180 167 H THR 19 H THR 19 -1.055 9.113 11.201 168 HA THR 19 HA THR 19 1.752 8.836 11.933 169 HB THR 19 HB THR 19 -0.482 9.148 13.912 170 HG1 THR 19 HG1 THR 19 0.688 11.342 12.515 171 HG21 THR 19 HG21 THR 19 2.318 10.273 13.758 172 HG22 THR 19 HG22 THR 19 1.824 8.877 14.717 173 HG23 THR 19 HG23 THR 19 1.191 10.480 15.100 174 H PHE 20 H PHE 20 -1.265 7.114 12.010 175 HA PHE 20 HA PHE 20 -0.567 5.134 13.919 176 HB2 PHE 20 HB2 PHE 20 -2.896 5.789 13.215 177 HB3 PHE 20 HB3 PHE 20 -2.614 4.931 11.706 178 HD1 PHE 20 HD2 PHE 20 -2.397 4.351 15.384 179 HD2 PHE 20 HD1 PHE 20 -3.381 2.770 11.557 180 HE1 PHE 20 HE2 PHE 20 -3.194 2.283 16.449 181 HE2 PHE 20 HE1 PHE 20 -4.185 0.699 12.617 182 HZ PHE 20 HZ PHE 20 -4.093 0.455 15.065 183 H VAL 21 H VAL 21 -0.294 5.366 10.414 184 HA VAL 21 HA VAL 21 0.604 2.661 10.101 185 HB VAL 21 HB VAL 21 -0.531 3.927 8.273 186 HG11 VAL 21 HG11 VAL 21 0.527 6.089 8.541 187 HG12 VAL 21 HG12 VAL 21 0.776 5.479 6.905 188 HG13 VAL 21 HG13 VAL 21 2.085 5.403 8.084 189 HG21 VAL 21 HG21 VAL 21 0.863 3.073 6.462 190 HG22 VAL 21 HG22 VAL 21 0.756 1.914 7.788 191 HG23 VAL 21 HG23 VAL 21 2.213 2.888 7.584 192 H PHE 22 H PHE 22 2.076 5.658 10.918 193 HA PHE 22 HA PHE 22 4.737 5.068 10.087 194 HB2 PHE 22 HB2 PHE 22 3.913 7.364 10.505 195 HB3 PHE 22 HB3 PHE 22 3.742 6.986 12.214 196 HD1 PHE 22 HD2 PHE 22 6.242 7.235 9.484 197 HD2 PHE 22 HD1 PHE 22 5.524 7.298 13.678 198 HE1 PHE 22 HE2 PHE 22 8.562 7.963 9.866 199 HE2 PHE 22 HE1 PHE 22 7.840 8.029 14.070 200 HZ PHE 22 HZ PHE 22 9.363 8.362 12.161 201 H GLN 23 H GLN 23 2.793 4.111 12.728 202 HA GLN 23 HA GLN 23 4.743 3.621 14.695 203 HB2 GLN 23 HB2 GLN 23 2.047 2.360 14.197 204 HB3 GLN 23 HB3 GLN 23 3.026 2.030 15.619 205 HG2 GLN 23 HG2 GLN 23 2.852 4.275 16.364 206 HG3 GLN 23 HG3 GLN 23 2.124 4.788 14.843 207 HE21 GLN 23 HE21 GLN 23 0.351 5.633 15.946 208 HE22 GLN 23 HE22 GLN 23 -0.878 4.616 16.610 209 H GLN 24 H GLN 24 3.104 1.241 12.595 210 HA GLN 24 HA GLN 24 5.530 -0.218 12.165 211 HB2 GLN 24 HB2 GLN 24 4.952 -0.988 14.434 212 HB3 GLN 24 HB3 GLN 24 3.370 -1.493 13.861 213 HG2 GLN 24 HG2 GLN 24 4.339 -3.198 12.486 214 HG3 GLN 24 HG3 GLN 24 5.967 -2.613 12.828 215 HE21 GLN 24 HE21 GLN 24 3.492 -2.797 15.286 216 HE22 GLN 24 HE22 GLN 24 4.201 -4.097 16.180 217 HA PRO 25 HA PRO 25 2.504 -1.052 8.889 218 HB2 PRO 25 HB2 PRO 25 3.807 0.104 6.876 219 HB3 PRO 25 HB3 PRO 25 2.965 1.082 8.083 220 HG2 PRO 25 HG2 PRO 25 5.872 0.619 7.721 221 HG3 PRO 25 HG3 PRO 25 5.032 2.027 8.390 222 HD2 PRO 25 HD2 PRO 25 6.256 -0.125 9.822 223 HD3 PRO 25 HD3 PRO 25 5.342 1.242 10.491 224 H GLN 26 H GLN 26 2.492 -2.724 7.434 225 HA GLN 26 HA GLN 26 4.934 -4.261 7.078 226 HB2 GLN 26 HB2 GLN 26 2.117 -4.748 6.072 227 HB3 GLN 26 HB3 GLN 26 3.468 -5.857 5.867 228 HG2 GLN 26 HG2 GLN 26 2.311 -4.980 8.506 229 HG3 GLN 26 HG3 GLN 26 1.999 -6.518 7.704 230 HE21 GLN 26 HE21 GLN 26 3.218 -5.894 10.315 231 HE22 GLN 26 HE22 GLN 26 4.759 -6.673 10.303 232 H ARG 27 H ARG 27 6.269 -3.209 5.740 233 HA ARG 27 HA ARG 27 5.257 -1.725 3.481 234 HB2 ARG 27 HB2 ARG 27 7.161 -0.972 4.979 235 HB3 ARG 27 HB3 ARG 27 8.145 -2.218 4.224 236 HG2 ARG 27 HG2 ARG 27 6.773 -0.127 2.574 237 HG3 ARG 27 HG3 ARG 27 8.315 0.198 3.362 238 HD2 ARG 27 HD2 ARG 27 9.361 -1.617 2.161 239 HD3 ARG 27 HD3 ARG 27 7.813 -2.091 1.461 240 HE ARG 27 HE ARG 27 8.010 0.404 0.579 241 HH11 ARG 27 HH11 ARG 27 10.444 -2.117 0.680 242 HH12 ARG 27 HH12 ARG 27 11.259 -1.547 -0.750 243 HH21 ARG 27 HH21 ARG 27 9.078 1.142 -1.309 244 HH22 ARG 27 HH22 ARG 27 10.482 0.286 -1.875 245 H ALA 28 H ALA 28 4.804 -2.668 1.644 246 HA ALA 28 HA ALA 28 6.707 -4.621 0.560 247 HB1 ALA 28 HB1 ALA 28 4.859 -5.960 -0.344 248 HB2 ALA 28 HB2 ALA 28 3.704 -4.916 0.482 249 HB3 ALA 28 HB3 ALA 28 4.821 -5.907 1.419 250 H GLY 29 H GLY 29 7.329 -4.106 -1.451 251 HA2 GLY 29 HA2 GLY 29 5.930 -3.341 -3.607 252 HA3 GLY 29 HA3 GLY 29 6.083 -1.827 -2.732 253 H THR 30 H THR 30 7.210 -1.144 -4.668 254 HA THR 30 HA THR 30 10.022 -2.028 -4.714 255 HB THR 30 HB THR 30 9.992 -1.493 -7.160 256 HG1 THR 30 HG1 THR 30 8.088 -1.041 -8.162 257 HG21 THR 30 HG21 THR 30 8.783 -3.521 -7.854 258 HG22 THR 30 HG22 THR 30 8.027 -3.604 -6.263 259 HG23 THR 30 HG23 THR 30 9.772 -3.807 -6.423 260 HA PRO 31 HA PRO 31 11.252 2.298 -4.596 261 HB2 PRO 31 HB2 PRO 31 12.516 2.106 -7.270 262 HB3 PRO 31 HB3 PRO 31 13.231 2.554 -5.718 263 HG2 PRO 31 HG2 PRO 31 13.754 0.188 -6.829 264 HG3 PRO 31 HG3 PRO 31 13.541 0.348 -5.075 265 HD2 PRO 31 HD2 PRO 31 11.617 -0.665 -7.135 266 HD3 PRO 31 HD3 PRO 31 11.959 -1.297 -5.511 267 H GLN 32 H GLN 32 9.454 1.087 -7.269 268 HA GLN 32 HA GLN 32 8.852 3.723 -8.331 269 HB2 GLN 32 HB2 GLN 32 7.743 1.008 -9.073 270 HB3 GLN 32 HB3 GLN 32 7.357 2.511 -9.895 271 HG2 GLN 32 HG2 GLN 32 8.949 1.538 -11.260 272 HG3 GLN 32 HG3 GLN 32 9.881 2.698 -10.316 273 HE21 GLN 32 HE21 GLN 32 11.794 1.547 -10.688 274 HE22 GLN 32 HE22 GLN 32 12.128 0.046 -9.885 275 H ILE 33 H ILE 33 7.255 1.165 -6.481 276 HA ILE 33 HA ILE 33 5.278 3.118 -5.590 277 HB ILE 33 HB ILE 33 4.165 2.082 -7.459 278 HG12 ILE 33 HG12 ILE 33 3.110 0.929 -4.867 279 HG13 ILE 33 HG13 ILE 33 2.817 2.566 -5.449 280 HG21 ILE 33 HG21 ILE 33 4.781 -0.559 -6.147 281 HG22 ILE 33 HG22 ILE 33 5.446 0.050 -7.663 282 HG23 ILE 33 HG23 ILE 33 3.731 -0.339 -7.547 283 HD11 ILE 33 HD11 ILE 33 1.930 0.026 -6.792 284 HD12 ILE 33 HD12 ILE 33 1.640 1.663 -7.384 285 HD13 ILE 33 HD13 ILE 33 0.912 1.130 -5.867 286 H THR 34 H THR 34 4.940 2.985 -3.465 287 HA THR 34 HA THR 34 5.830 0.533 -2.096 288 HB THR 34 HB THR 34 6.064 3.412 -1.226 289 HG1 THR 34 HG1 THR 34 7.638 2.123 -2.679 290 HG21 THR 34 HG21 THR 34 5.413 2.072 0.707 291 HG22 THR 34 HG22 THR 34 7.105 2.556 0.832 292 HG23 THR 34 HG23 THR 34 6.689 0.911 0.348 293 H ILE 35 H ILE 35 4.287 -0.541 -1.086 294 HA ILE 35 HA ILE 35 1.806 0.861 -0.363 295 HB ILE 35 HB ILE 35 2.290 -2.117 -0.603 296 HG12 ILE 35 HG12 ILE 35 0.849 -0.276 -2.528 297 HG13 ILE 35 HG13 ILE 35 2.493 -0.860 -2.762 298 HG21 ILE 35 HG21 ILE 35 0.479 -1.542 0.931 299 HG22 ILE 35 HG22 ILE 35 -0.159 -2.275 -0.539 300 HG23 ILE 35 HG23 ILE 35 -0.264 -0.531 -0.308 301 HD11 ILE 35 HD11 ILE 35 1.667 -3.152 -2.835 302 HD12 ILE 35 HD12 ILE 35 0.908 -2.142 -4.068 303 HD13 ILE 35 HD13 ILE 35 0.022 -2.563 -2.602 304 H LEU 36 H LEU 36 1.575 1.382 1.707 305 HA LEU 36 HA LEU 36 3.096 -0.109 3.728 306 HB2 LEU 36 HB2 LEU 36 1.684 2.555 3.922 307 HB3 LEU 36 HB3 LEU 36 2.599 1.797 5.211 308 HG LEU 36 HG LEU 36 3.766 2.699 2.575 309 HD11 LEU 36 HD11 LEU 36 3.917 3.950 5.314 310 HD12 LEU 36 HD12 LEU 36 3.055 4.599 3.918 311 HD13 LEU 36 HD13 LEU 36 4.814 4.477 3.891 312 HD21 LEU 36 HD21 LEU 36 4.964 0.820 3.570 313 HD22 LEU 36 HD22 LEU 36 5.080 1.696 5.098 314 HD23 LEU 36 HD23 LEU 36 5.916 2.303 3.667 315 H GLY 37 H GLY 37 1.956 -1.799 4.457 316 HA2 GLY 37 HA2 GLY 37 -0.941 -1.488 4.827 317 HA3 GLY 37 HA3 GLY 37 -0.075 -3.013 4.761 318 H ARG 38 H ARG 38 -1.359 -0.589 6.768 319 HA ARG 38 HA ARG 38 0.189 -1.452 9.092 320 HB2 ARG 38 HB2 ARG 38 -0.647 0.997 8.466 321 HB3 ARG 38 HB3 ARG 38 -2.099 0.458 9.295 322 HG2 ARG 38 HG2 ARG 38 0.644 0.376 10.531 323 HG3 ARG 38 HG3 ARG 38 -0.466 1.735 10.698 324 HD2 ARG 38 HD2 ARG 38 -2.124 0.202 11.710 325 HD3 ARG 38 HD3 ARG 38 -0.938 -1.100 11.611 326 HE ARG 38 HE ARG 38 -0.024 1.244 13.031 327 HH11 ARG 38 HH11 ARG 38 -1.748 -1.795 13.325 328 HH12 ARG 38 HH12 ARG 38 -1.357 -2.001 15.000 329 HH21 ARG 38 HH21 ARG 38 0.456 0.979 15.274 330 HH22 ARG 38 HH22 ARG 38 -0.106 -0.437 16.101 331 H LEU 39 H LEU 39 -0.606 -2.775 10.644 332 HA LEU 39 HA LEU 39 -2.923 -4.317 10.158 333 HB2 LEU 39 HB2 LEU 39 -1.244 -3.979 12.642 334 HB3 LEU 39 HB3 LEU 39 -2.582 -5.101 12.537 335 HG LEU 39 HG LEU 39 -0.609 -6.363 12.227 336 HD11 LEU 39 HD11 LEU 39 -1.810 -5.858 9.514 337 HD12 LEU 39 HD12 LEU 39 -2.428 -6.968 10.737 338 HD13 LEU 39 HD13 LEU 39 -0.863 -7.269 9.985 339 HD21 LEU 39 HD21 LEU 39 0.935 -4.554 11.708 340 HD22 LEU 39 HD22 LEU 39 0.220 -4.386 10.105 341 HD23 LEU 39 HD23 LEU 39 1.082 -5.863 10.536 342 H ASN 40 H ASN 40 -4.607 -2.841 9.881 343 HA ASN 40 HA ASN 40 -5.681 -1.756 12.398 344 HB2 ASN 40 HB2 ASN 40 -5.001 0.105 10.956 345 HB3 ASN 40 HB3 ASN 40 -5.919 -0.571 9.617 346 HD21 ASN 40 HD21 ASN 40 -7.210 1.260 9.393 347 HD22 ASN 40 HD22 ASN 40 -8.430 1.662 10.554 348 H SER 41 H SER 41 -7.431 -2.839 12.968 349 HA SER 41 HA SER 41 -8.705 -4.614 11.093 350 HB2 SER 41 HB2 SER 41 -8.239 -5.300 13.439 351 HB3 SER 41 HB3 SER 41 -9.393 -4.091 13.997 352 HG SER 41 HG SER 41 -9.861 -6.589 13.181 353 H LEU 42 H LEU 42 -9.600 -3.104 9.645 354 HA LEU 42 HA LEU 42 -11.846 -1.511 10.623 355 HB2 LEU 42 HB2 LEU 42 -10.235 -0.574 8.957 356 HB3 LEU 42 HB3 LEU 42 -10.768 -1.790 7.814 357 HG LEU 42 HG LEU 42 -13.070 -0.827 7.949 358 HD11 LEU 42 HD11 LEU 42 -13.327 1.423 8.879 359 HD12 LEU 42 HD12 LEU 42 -11.680 1.345 9.507 360 HD13 LEU 42 HD13 LEU 42 -12.911 0.240 10.119 361 HD21 LEU 42 HD21 LEU 42 -10.877 1.044 7.067 362 HD22 LEU 42 HD22 LEU 42 -12.568 1.127 6.567 363 HD23 LEU 42 HD23 LEU 42 -11.583 -0.264 6.115 364 H GLY 43 H GLY 43 -11.201 -4.587 9.456 365 HA2 GLY 43 HA2 GLY 43 -12.836 -6.293 9.380 366 HA3 GLY 43 HA3 GLY 43 -14.062 -5.074 9.062 367 H HIS 44 H HIS 44 -12.329 -3.819 6.998 368 HA HIS 44 HA HIS 44 -12.468 -5.863 4.889 369 HB2 HIS 44 HB2 HIS 44 -13.469 -3.025 4.527 370 HB3 HIS 44 HB3 HIS 44 -13.580 -4.348 3.369 371 HD1 HIS 44 HD1 HIS 44 -15.169 -6.434 4.268 372 HD2 HIS 44 HD2 HIS 44 -15.673 -2.699 6.040 373 HE1 HIS 44 HE1 HIS 44 -17.404 -6.522 5.421 374 HE2 HIS 44 HE2 HIS 44 -17.594 -4.323 6.644 375 HA PRO 45 HA PRO 45 -8.467 -4.284 3.760 376 HB2 PRO 45 HB2 PRO 45 -9.247 -4.749 0.942 377 HB3 PRO 45 HB3 PRO 45 -7.901 -5.428 1.863 378 HG2 PRO 45 HG2 PRO 45 -10.025 -6.918 1.233 379 HG3 PRO 45 HG3 PRO 45 -9.208 -7.094 2.799 380 HD2 PRO 45 HD2 PRO 45 -11.759 -5.663 2.142 381 HD3 PRO 45 HD3 PRO 45 -11.375 -6.699 3.533 382 H ARG 46 H ARG 46 -8.234 -2.160 3.976 383 HA ARG 46 HA ARG 46 -9.865 -0.328 2.383 384 HB2 ARG 46 HB2 ARG 46 -9.701 -0.080 4.861 385 HB3 ARG 46 HB3 ARG 46 -7.985 0.243 4.682 386 HG2 ARG 46 HG2 ARG 46 -8.528 2.237 3.339 387 HG3 ARG 46 HG3 ARG 46 -10.245 1.925 3.618 388 HD2 ARG 46 HD2 ARG 46 -9.806 2.046 6.059 389 HD3 ARG 46 HD3 ARG 46 -8.144 2.505 5.702 390 HE ARG 46 HE ARG 46 -10.365 4.149 4.697 391 HH11 ARG 46 HH11 ARG 46 -7.514 3.751 6.707 392 HH12 ARG 46 HH12 ARG 46 -7.418 5.442 7.103 393 HH21 ARG 46 HH21 ARG 46 -10.258 6.350 5.244 394 HH22 ARG 46 HH22 ARG 46 -9.003 6.929 6.301 395 H ILE 47 H ILE 47 -9.021 0.956 0.796 396 HA ILE 47 HA ILE 47 -6.096 0.936 0.503 397 HB ILE 47 HB ILE 47 -7.140 -0.430 -1.266 398 HG12 ILE 47 HG12 ILE 47 -5.919 2.176 -2.207 399 HG13 ILE 47 HG13 ILE 47 -5.045 0.720 -1.738 400 HG21 ILE 47 HG21 ILE 47 -9.298 0.698 -1.433 401 HG22 ILE 47 HG22 ILE 47 -8.510 0.611 -3.009 402 HG23 ILE 47 HG23 ILE 47 -8.508 2.124 -2.106 403 HD11 ILE 47 HD11 ILE 47 -6.031 -0.466 -3.637 404 HD12 ILE 47 HD12 ILE 47 -5.105 0.947 -4.138 405 HD13 ILE 47 HD13 ILE 47 -6.867 1.013 -4.112 406 H GLY 48 H GLY 48 -5.167 2.844 0.559 407 HA2 GLY 48 HA2 GLY 48 -6.704 5.188 -0.366 408 HA3 GLY 48 HA3 GLY 48 -5.801 5.246 1.147 409 H LEU 49 H LEU 49 -5.624 6.385 -1.831 410 HA LEU 49 HA LEU 49 -2.805 5.705 -2.265 411 HB2 LEU 49 HB2 LEU 49 -4.375 5.424 -4.156 412 HB3 LEU 49 HB3 LEU 49 -4.728 7.140 -4.096 413 HG LEU 49 HG LEU 49 -2.276 7.550 -4.551 414 HD11 LEU 49 HD11 LEU 49 -2.327 4.608 -5.203 415 HD12 LEU 49 HD12 LEU 49 -1.445 5.361 -3.875 416 HD13 LEU 49 HD13 LEU 49 -1.003 5.722 -5.543 417 HD21 LEU 49 HD21 LEU 49 -3.838 6.056 -6.650 418 HD22 LEU 49 HD22 LEU 49 -2.489 7.155 -6.940 419 HD23 LEU 49 HD23 LEU 49 -4.001 7.770 -6.269 420 H THR 50 H THR 50 -1.302 7.057 -1.611 421 HA THR 50 HA THR 50 -1.971 9.923 -1.406 422 HB THR 50 HB THR 50 0.061 8.454 0.289 423 HG1 THR 50 HG1 THR 50 -2.665 8.663 0.513 424 HG21 THR 50 HG21 THR 50 -1.172 11.205 0.554 425 HG22 THR 50 HG22 THR 50 0.470 10.862 0.017 426 HG23 THR 50 HG23 THR 50 -0.013 10.481 1.669 427 H VAL 51 H VAL 51 -1.126 10.733 -3.244 428 HA VAL 51 HA VAL 51 1.721 10.201 -3.766 429 HB VAL 51 HB VAL 51 -0.406 10.522 -5.893 430 HG11 VAL 51 HG11 VAL 51 2.533 9.900 -6.138 431 HG12 VAL 51 HG12 VAL 51 1.756 11.424 -6.567 432 HG13 VAL 51 HG13 VAL 51 1.375 9.955 -7.466 433 HG21 VAL 51 HG21 VAL 51 1.114 8.068 -5.024 434 HG22 VAL 51 HG22 VAL 51 0.064 8.169 -6.439 435 HG23 VAL 51 HG23 VAL 51 -0.614 8.362 -4.821 436 H ALA 52 H ALA 52 2.916 12.000 -3.862 437 HA ALA 52 HA ALA 52 1.623 14.592 -3.894 438 HB1 ALA 52 HB1 ALA 52 3.863 15.471 -3.481 439 HB2 ALA 52 HB2 ALA 52 4.548 13.864 -3.728 440 HB3 ALA 52 HB3 ALA 52 3.480 14.167 -2.356 441 H LYS 53 H LYS 53 2.378 16.293 -5.351 442 HA LYS 53 HA LYS 53 2.306 15.416 -8.068 443 HB2 LYS 53 HB2 LYS 53 1.227 17.498 -7.245 444 HB3 LYS 53 HB3 LYS 53 2.819 18.183 -6.950 445 HG2 LYS 53 HG2 LYS 53 3.320 18.166 -9.296 446 HG3 LYS 53 HG3 LYS 53 1.819 17.309 -9.650 447 HD2 LYS 53 HD2 LYS 53 0.513 19.197 -8.932 448 HD3 LYS 53 HD3 LYS 53 1.963 20.042 -8.386 449 HE2 LYS 53 HE2 LYS 53 1.399 19.241 -11.237 450 HE3 LYS 53 HE3 LYS 53 1.127 20.850 -10.570 451 HZ1 LYS 53 HZ1 LYS 53 3.236 20.715 -11.739 452 HZ2 LYS 53 HZ2 LYS 53 3.757 19.465 -10.718 453 HZ3 LYS 53 HZ3 LYS 53 3.485 21.017 -10.089 454 H LYS 54 H LYS 54 4.786 15.830 -5.828 455 HA LYS 54 HA LYS 54 6.898 16.390 -7.709 456 HB2 LYS 54 HB2 LYS 54 7.051 15.358 -4.866 457 HB3 LYS 54 HB3 LYS 54 8.399 15.969 -5.813 458 HG2 LYS 54 HG2 LYS 54 6.004 17.557 -4.921 459 HG3 LYS 54 HG3 LYS 54 7.616 17.620 -4.210 460 HD2 LYS 54 HD2 LYS 54 8.509 18.402 -6.375 461 HD3 LYS 54 HD3 LYS 54 6.869 18.400 -7.028 462 HE2 LYS 54 HE2 LYS 54 7.493 20.643 -6.356 463 HE3 LYS 54 HE3 LYS 54 6.202 20.035 -5.321 464 HZ1 LYS 54 HZ1 LYS 54 7.945 21.184 -4.073 465 HZ2 LYS 54 HZ2 LYS 54 9.088 20.050 -4.608 466 HZ3 LYS 54 HZ3 LYS 54 7.808 19.560 -3.607 467 H ASN 55 H ASN 55 5.201 13.649 -6.557 468 HA ASN 55 HA ASN 55 7.252 11.718 -7.206 469 HB2 ASN 55 HB2 ASN 55 4.337 11.340 -6.473 470 HB3 ASN 55 HB3 ASN 55 5.517 10.046 -6.633 471 HD21 ASN 55 HD21 ASN 55 5.150 9.401 -4.513 472 HD22 ASN 55 HD22 ASN 55 5.770 10.302 -3.162 473 H VAL 56 H VAL 56 3.972 12.420 -8.360 474 HA VAL 56 HA VAL 56 4.744 11.372 -10.998 475 HB VAL 56 HB VAL 56 1.950 11.744 -9.885 476 HG11 VAL 56 HG11 VAL 56 2.926 10.553 -12.479 477 HG12 VAL 56 HG12 VAL 56 1.946 12.007 -12.276 478 HG13 VAL 56 HG13 VAL 56 1.274 10.427 -11.878 479 HG21 VAL 56 HG21 VAL 56 1.860 9.287 -9.850 480 HG22 VAL 56 HG22 VAL 56 3.097 9.920 -8.763 481 HG23 VAL 56 HG23 VAL 56 3.559 9.228 -10.318 482 H ARG 57 H ARG 57 5.337 12.933 -12.298 483 HA ARG 57 HA ARG 57 4.750 15.687 -11.836 484 HB2 ARG 57 HB2 ARG 57 6.091 14.287 -14.152 485 HB3 ARG 57 HB3 ARG 57 6.042 16.030 -13.934 486 HG2 ARG 57 HG2 ARG 57 7.389 15.895 -11.971 487 HG3 ARG 57 HG3 ARG 57 7.275 14.133 -11.950 488 HD2 ARG 57 HD2 ARG 57 9.433 15.007 -12.841 489 HD3 ARG 57 HD3 ARG 57 8.558 13.962 -13.961 490 HE ARG 57 HE ARG 57 8.038 16.785 -14.296 491 HH11 ARG 57 HH11 ARG 57 10.038 14.062 -15.244 492 HH12 ARG 57 HH12 ARG 57 10.526 14.788 -16.751 493 HH21 ARG 57 HH21 ARG 57 8.655 17.725 -16.256 494 HH22 ARG 57 HH22 ARG 57 9.735 16.888 -17.330 495 H ARG 58 H ARG 58 2.776 13.429 -13.020 496 HA ARG 58 HA ARG 58 1.571 15.219 -15.021 497 HB2 ARG 58 HB2 ARG 58 1.775 12.205 -15.078 498 HB3 ARG 58 HB3 ARG 58 0.804 13.150 -16.196 499 HG2 ARG 58 HG2 ARG 58 3.776 13.498 -15.897 500 HG3 ARG 58 HG3 ARG 58 3.039 12.389 -17.051 501 HD2 ARG 58 HD2 ARG 58 3.548 14.420 -18.200 502 HD3 ARG 58 HD3 ARG 58 1.799 14.323 -18.014 503 HE ARG 58 HE ARG 58 3.000 15.796 -15.889 504 HH11 ARG 58 HH11 ARG 58 2.049 16.046 -19.256 505 HH12 ARG 58 HH12 ARG 58 1.808 17.769 -19.188 506 HH21 ARG 58 HH21 ARG 58 2.692 18.050 -15.800 507 HH22 ARG 58 HH22 ARG 58 2.164 18.915 -17.215 508 H ALA 59 H ALA 59 -0.785 14.422 -15.474 509 HA ALA 59 HA ALA 59 -2.067 13.944 -12.860 510 HB1 ALA 59 HB1 ALA 59 -2.394 16.241 -13.683 511 HB2 ALA 59 HB2 ALA 59 -3.912 15.348 -13.580 512 HB3 ALA 59 HB3 ALA 59 -3.140 15.597 -15.145 513 H HIS 60 H HIS 60 -2.414 13.531 -16.375 514 HA HIS 60 HA HIS 60 -4.640 11.771 -16.221 515 HB2 HIS 60 HB2 HIS 60 -2.589 12.209 -18.399 516 HB3 HIS 60 HB3 HIS 60 -3.991 11.163 -18.580 517 HD1 HIS 60 HD1 HIS 60 -2.908 14.552 -19.140 518 HD2 HIS 60 HD2 HIS 60 -6.516 12.693 -18.222 519 HE1 HIS 60 HE1 HIS 60 -4.700 16.208 -19.745 520 HE2 HIS 60 HE2 HIS 60 -6.877 15.060 -19.207 521 H GLU 61 H GLU 61 -1.166 11.243 -16.623 522 HA GLU 61 HA GLU 61 -1.163 8.451 -16.671 523 HB2 GLU 61 HB2 GLU 61 0.892 10.431 -15.669 524 HB3 GLU 61 HB3 GLU 61 1.200 8.707 -15.774 525 HG2 GLU 61 HG2 GLU 61 2.136 9.901 -17.670 526 HG3 GLU 61 HG3 GLU 61 0.885 8.772 -18.180 527 H ARG 62 H ARG 62 -1.298 10.720 -14.013 528 HA ARG 62 HA ARG 62 -0.804 8.834 -11.946 529 HB2 ARG 62 HB2 ARG 62 -0.343 11.115 -11.475 530 HB3 ARG 62 HB3 ARG 62 -1.956 11.617 -11.956 531 HG2 ARG 62 HG2 ARG 62 -2.871 11.070 -9.962 532 HG3 ARG 62 HG3 ARG 62 -1.773 9.712 -9.706 533 HD2 ARG 62 HD2 ARG 62 -1.512 11.730 -8.170 534 HD3 ARG 62 HD3 ARG 62 -0.055 11.098 -8.929 535 HE ARG 62 HE ARG 62 -0.555 12.983 -10.639 536 HH11 ARG 62 HH11 ARG 62 -1.152 13.144 -7.197 537 HH12 ARG 62 HH12 ARG 62 -0.802 14.846 -7.082 538 HH21 ARG 62 HH21 ARG 62 -0.101 15.226 -10.496 539 HH22 ARG 62 HH22 ARG 62 -0.229 16.027 -8.963 540 H ASN 63 H ASN 63 -3.674 9.908 -13.632 541 HA ASN 63 HA ASN 63 -5.611 8.891 -11.885 542 HB2 ASN 63 HB2 ASN 63 -5.578 9.341 -14.853 543 HB3 ASN 63 HB3 ASN 63 -6.966 8.589 -14.073 544 HD21 ASN 63 HD21 ASN 63 -6.724 11.137 -15.464 545 HD22 ASN 63 HD22 ASN 63 -7.239 12.349 -14.339 546 H ARG 64 H ARG 64 -3.690 7.311 -14.390 547 HA ARG 64 HA ARG 64 -5.112 4.832 -14.177 548 HB2 ARG 64 HB2 ARG 64 -2.473 5.492 -15.489 549 HB3 ARG 64 HB3 ARG 64 -3.240 3.911 -15.564 550 HG2 ARG 64 HG2 ARG 64 -5.271 5.226 -16.503 551 HG3 ARG 64 HG3 ARG 64 -4.076 6.481 -16.834 552 HD2 ARG 64 HD2 ARG 64 -3.959 3.625 -17.799 553 HD3 ARG 64 HD3 ARG 64 -4.419 5.022 -18.770 554 HE ARG 64 HE ARG 64 -2.029 5.806 -18.126 555 HH11 ARG 64 HH11 ARG 64 -3.019 2.506 -18.794 556 HH12 ARG 64 HH12 ARG 64 -1.482 2.052 -19.462 557 HH21 ARG 64 HH21 ARG 64 0.002 5.199 -18.988 558 HH22 ARG 64 HH22 ARG 64 0.228 3.583 -19.586 559 H ILE 65 H ILE 65 -2.604 6.323 -12.395 560 HA ILE 65 HA ILE 65 -1.259 4.045 -11.424 561 HB ILE 65 HB ILE 65 -1.680 6.728 -10.091 562 HG12 ILE 65 HG12 ILE 65 -0.480 6.858 -12.233 563 HG13 ILE 65 HG13 ILE 65 0.583 7.229 -10.881 564 HG21 ILE 65 HG21 ILE 65 0.252 6.136 -8.691 565 HG22 ILE 65 HG22 ILE 65 0.252 4.522 -9.398 566 HG23 ILE 65 HG23 ILE 65 -1.117 5.057 -8.428 567 HD11 ILE 65 HD11 ILE 65 0.466 4.626 -12.386 568 HD12 ILE 65 HD12 ILE 65 1.513 4.968 -11.008 569 HD13 ILE 65 HD13 ILE 65 1.717 5.861 -12.514 570 H LYS 66 H LYS 66 -4.110 5.810 -10.207 571 HA LYS 66 HA LYS 66 -4.426 3.974 -8.010 572 HB2 LYS 66 HB2 LYS 66 -6.328 5.224 -7.366 573 HB3 LYS 66 HB3 LYS 66 -5.159 6.393 -7.956 574 HG2 LYS 66 HG2 LYS 66 -6.364 6.568 -10.055 575 HG3 LYS 66 HG3 LYS 66 -7.522 5.354 -9.497 576 HD2 LYS 66 HD2 LYS 66 -8.231 6.800 -7.695 577 HD3 LYS 66 HD3 LYS 66 -7.000 7.989 -8.125 578 HE2 LYS 66 HE2 LYS 66 -9.252 7.137 -9.938 579 HE3 LYS 66 HE3 LYS 66 -9.294 8.566 -8.906 580 HZ1 LYS 66 HZ1 LYS 66 -7.410 8.052 -11.142 581 HZ2 LYS 66 HZ2 LYS 66 -7.304 9.379 -10.090 582 HZ3 LYS 66 HZ3 LYS 66 -8.653 9.204 -11.107 583 H ARG 67 H ARG 67 -5.322 4.045 -11.302 584 HA ARG 67 HA ARG 67 -7.568 2.287 -11.157 585 HB2 ARG 67 HB2 ARG 67 -5.660 2.898 -13.427 586 HB3 ARG 67 HB3 ARG 67 -7.110 1.918 -13.593 587 HG2 ARG 67 HG2 ARG 67 -7.279 4.708 -12.538 588 HG3 ARG 67 HG3 ARG 67 -7.175 4.404 -14.270 589 HD2 ARG 67 HD2 ARG 67 -9.501 4.651 -13.435 590 HD3 ARG 67 HD3 ARG 67 -9.190 3.109 -14.227 591 HE ARG 67 HE ARG 67 -9.186 2.051 -12.073 592 HH11 ARG 67 HH11 ARG 67 -10.264 5.393 -12.065 593 HH12 ARG 67 HH12 ARG 67 -11.193 5.214 -10.603 594 HH21 ARG 67 HH21 ARG 67 -10.366 1.829 -10.147 595 HH22 ARG 67 HH22 ARG 67 -11.253 3.193 -9.521 596 H LEU 68 H LEU 68 -4.105 1.881 -11.622 597 HA LEU 68 HA LEU 68 -4.141 -0.907 -12.087 598 HB2 LEU 68 HB2 LEU 68 -2.289 0.743 -12.604 599 HB3 LEU 68 HB3 LEU 68 -1.895 0.729 -10.900 600 HG LEU 68 HG LEU 68 -0.457 -0.700 -12.437 601 HD11 LEU 68 HD11 LEU 68 -0.265 -2.526 -10.824 602 HD12 LEU 68 HD12 LEU 68 -1.795 -2.040 -10.093 603 HD13 LEU 68 HD13 LEU 68 -0.402 -0.959 -10.023 604 HD21 LEU 68 HD21 LEU 68 -1.332 -2.930 -12.977 605 HD22 LEU 68 HD22 LEU 68 -2.213 -1.645 -13.807 606 HD23 LEU 68 HD23 LEU 68 -2.922 -2.432 -12.397 607 H THR 69 H THR 69 -4.019 1.047 -9.169 608 HA THR 69 HA THR 69 -3.359 -1.234 -7.515 609 HB THR 69 HB THR 69 -3.662 0.550 -5.656 610 HG1 THR 69 HG1 THR 69 -3.123 2.409 -7.684 611 HG21 THR 69 HG21 THR 69 -1.495 -0.315 -6.378 612 HG22 THR 69 HG22 THR 69 -1.406 1.422 -6.085 613 HG23 THR 69 HG23 THR 69 -1.489 0.810 -7.736 614 H ARG 70 H ARG 70 -6.187 0.836 -8.081 615 HA ARG 70 HA ARG 70 -7.611 -0.197 -5.834 616 HB2 ARG 70 HB2 ARG 70 -7.965 2.058 -6.937 617 HB3 ARG 70 HB3 ARG 70 -8.819 1.203 -8.215 618 HG2 ARG 70 HG2 ARG 70 -10.613 0.719 -6.891 619 HG3 ARG 70 HG3 ARG 70 -9.661 0.741 -5.404 620 HD2 ARG 70 HD2 ARG 70 -10.452 3.145 -7.048 621 HD3 ARG 70 HD3 ARG 70 -11.156 2.663 -5.503 622 HE ARG 70 HE ARG 70 -8.307 3.052 -5.418 623 HH11 ARG 70 HH11 ARG 70 -11.425 4.622 -5.122 624 HH12 ARG 70 HH12 ARG 70 -10.804 5.939 -4.160 625 HH21 ARG 70 HH21 ARG 70 -7.498 4.765 -4.145 626 HH22 ARG 70 HH22 ARG 70 -8.571 6.018 -3.601 627 H GLU 71 H GLU 71 -7.525 -0.970 -9.266 628 HA GLU 71 HA GLU 71 -9.708 -2.814 -9.116 629 HB2 GLU 71 HB2 GLU 71 -7.719 -2.066 -11.209 630 HB3 GLU 71 HB3 GLU 71 -8.603 -3.575 -11.389 631 HG2 GLU 71 HG2 GLU 71 -9.836 -2.009 -12.596 632 HG3 GLU 71 HG3 GLU 71 -10.713 -2.196 -11.082 633 H SER 72 H SER 72 -6.423 -3.019 -8.220 634 HA SER 72 HA SER 72 -6.364 -5.908 -8.631 635 HB2 SER 72 HB2 SER 72 -3.980 -5.677 -7.800 636 HB3 SER 72 HB3 SER 72 -4.346 -4.860 -9.318 637 HG SER 72 HG SER 72 -3.894 -3.030 -8.418 638 H PHE 73 H PHE 73 -6.045 -3.544 -5.981 639 HA PHE 73 HA PHE 73 -5.834 -5.385 -3.884 640 HB2 PHE 73 HB2 PHE 73 -6.719 -2.542 -4.077 641 HB3 PHE 73 HB3 PHE 73 -7.037 -3.417 -2.583 642 HD1 PHE 73 HD1 PHE 73 -4.365 -2.282 -4.867 643 HD2 PHE 73 HD2 PHE 73 -5.334 -3.857 -1.036 644 HE1 PHE 73 HE1 PHE 73 -2.068 -1.832 -4.105 645 HE2 PHE 73 HE2 PHE 73 -3.042 -3.412 -0.265 646 HZ PHE 73 HZ PHE 73 -1.406 -2.396 -1.802 647 H ARG 74 H ARG 74 -8.736 -3.876 -5.277 648 HA ARG 74 HA ARG 74 -10.420 -5.435 -3.503 649 HB2 ARG 74 HB2 ARG 74 -11.100 -3.385 -5.612 650 HB3 ARG 74 HB3 ARG 74 -12.290 -4.207 -4.610 651 HG2 ARG 74 HG2 ARG 74 -11.105 -3.295 -2.605 652 HG3 ARG 74 HG3 ARG 74 -10.124 -2.330 -3.707 653 HD2 ARG 74 HD2 ARG 74 -11.998 -1.044 -2.803 654 HD3 ARG 74 HD3 ARG 74 -12.121 -1.233 -4.551 655 HE ARG 74 HE ARG 74 -13.876 -2.818 -4.214 656 HH11 ARG 74 HH11 ARG 74 -12.847 -1.199 -1.283 657 HH12 ARG 74 HH12 ARG 74 -14.344 -1.504 -0.441 658 HH21 ARG 74 HH21 ARG 74 -15.825 -3.230 -3.118 659 HH22 ARG 74 HH22 ARG 74 -16.025 -2.682 -1.476 660 H LEU 75 H LEU 75 -8.781 -6.606 -5.757 661 HA LEU 75 HA LEU 75 -10.982 -8.259 -6.807 662 HB2 LEU 75 HB2 LEU 75 -9.792 -6.941 -8.550 663 HB3 LEU 75 HB3 LEU 75 -8.301 -7.740 -8.103 664 HG LEU 75 HG LEU 75 -10.557 -9.500 -8.900 665 HD11 LEU 75 HD11 LEU 75 -9.004 -7.820 -10.867 666 HD12 LEU 75 HD12 LEU 75 -10.734 -7.713 -10.540 667 HD13 LEU 75 HD13 LEU 75 -10.065 -9.167 -11.280 668 HD21 LEU 75 HD21 LEU 75 -7.606 -9.469 -9.542 669 HD22 LEU 75 HD22 LEU 75 -8.744 -10.753 -9.951 670 HD23 LEU 75 HD23 LEU 75 -8.374 -10.411 -8.262 671 H ARG 76 H ARG 76 -8.235 -8.052 -4.880 672 HA ARG 76 HA ARG 76 -7.858 -10.972 -4.875 673 HB2 ARG 76 HB2 ARG 76 -5.957 -9.614 -5.801 674 HB3 ARG 76 HB3 ARG 76 -5.810 -8.837 -4.235 675 HG2 ARG 76 HG2 ARG 76 -4.162 -10.655 -4.678 676 HG3 ARG 76 HG3 ARG 76 -5.108 -10.855 -3.203 677 HD2 ARG 76 HD2 ARG 76 -4.838 -12.946 -4.502 678 HD3 ARG 76 HD3 ARG 76 -6.516 -12.478 -4.255 679 HE ARG 76 HE ARG 76 -5.317 -11.658 -6.774 680 HH11 ARG 76 HH11 ARG 76 -7.257 -13.991 -5.024 681 HH12 ARG 76 HH12 ARG 76 -8.002 -14.640 -6.462 682 HH21 ARG 76 HH21 ARG 76 -6.287 -12.528 -8.685 683 HH22 ARG 76 HH22 ARG 76 -7.453 -13.813 -8.525 684 H GLN 77 H GLN 77 -9.737 -9.329 -3.332 685 HA GLN 77 HA GLN 77 -8.655 -8.937 -0.702 686 HB2 GLN 77 HB2 GLN 77 -10.800 -8.114 -0.084 687 HB3 GLN 77 HB3 GLN 77 -10.473 -7.529 -1.704 688 HG2 GLN 77 HG2 GLN 77 -12.236 -9.874 -1.026 689 HG3 GLN 77 HG3 GLN 77 -12.802 -8.246 -1.374 690 HE21 GLN 77 HE21 GLN 77 -11.633 -11.208 -2.690 691 HE22 GLN 77 HE22 GLN 77 -11.885 -10.814 -4.357 692 H HIS 78 H HIS 78 -9.164 -11.732 -2.127 693 HA HIS 78 HA HIS 78 -10.501 -13.047 0.115 694 HB2 HIS 78 HB2 HIS 78 -11.173 -13.754 -2.136 695 HB3 HIS 78 HB3 HIS 78 -9.508 -14.177 -2.515 696 HD1 HIS 78 HD1 HIS 78 -8.893 -16.550 -2.141 697 HD2 HIS 78 HD2 HIS 78 -12.245 -15.434 0.059 698 HE1 HIS 78 HE1 HIS 78 -9.689 -18.644 -0.996 699 HE2 HIS 78 HE2 HIS 78 -11.819 -17.984 0.174 700 H GLU 79 H GLU 79 -7.457 -13.213 -1.706 701 HA GLU 79 HA GLU 79 -6.176 -14.825 0.320 702 HB2 GLU 79 HB2 GLU 79 -5.130 -13.543 -2.212 703 HB3 GLU 79 HB3 GLU 79 -4.152 -14.534 -1.142 704 HG2 GLU 79 HG2 GLU 79 -4.838 -15.868 -2.985 705 HG3 GLU 79 HG3 GLU 79 -5.698 -16.424 -1.555 706 H LEU 80 H LEU 80 -6.996 -11.710 0.245 707 HA LEU 80 HA LEU 80 -4.600 -10.825 1.702 708 HB2 LEU 80 HB2 LEU 80 -5.000 -9.584 -0.392 709 HB3 LEU 80 HB3 LEU 80 -6.604 -9.159 0.174 710 HG LEU 80 HG LEU 80 -5.544 -7.913 2.063 711 HD11 LEU 80 HD11 LEU 80 -3.009 -8.459 0.528 712 HD12 LEU 80 HD12 LEU 80 -3.417 -9.092 2.122 713 HD13 LEU 80 HD13 LEU 80 -3.171 -7.360 1.899 714 HD21 LEU 80 HD21 LEU 80 -6.311 -6.772 0.046 715 HD22 LEU 80 HD22 LEU 80 -4.742 -7.046 -0.712 716 HD23 LEU 80 HD23 LEU 80 -4.867 -6.003 0.706 717 HA PRO 81 HA PRO 81 -7.434 -10.730 5.190 718 HB2 PRO 81 HB2 PRO 81 -5.133 -9.442 6.515 719 HB3 PRO 81 HB3 PRO 81 -5.996 -10.922 6.947 720 HG2 PRO 81 HG2 PRO 81 -3.523 -10.995 5.926 721 HG3 PRO 81 HG3 PRO 81 -4.729 -12.234 5.528 722 HD2 PRO 81 HD2 PRO 81 -3.832 -9.874 3.913 723 HD3 PRO 81 HD3 PRO 81 -4.161 -11.539 3.387 724 H ALA 82 H ALA 82 -8.089 -9.006 6.776 725 HA ALA 82 HA ALA 82 -8.576 -6.605 5.201 726 HB1 ALA 82 HB1 ALA 82 -10.370 -6.168 6.790 727 HB2 ALA 82 HB2 ALA 82 -9.848 -7.540 7.768 728 HB3 ALA 82 HB3 ALA 82 -10.480 -7.804 6.143 729 H MET 83 H MET 83 -6.817 -5.286 5.418 730 HA MET 83 HA MET 83 -6.489 -4.099 8.080 731 HB2 MET 83 HB2 MET 83 -4.279 -4.898 6.188 732 HB3 MET 83 HB3 MET 83 -4.043 -3.716 7.465 733 HG2 MET 83 HG2 MET 83 -3.270 -5.638 8.441 734 HG3 MET 83 HG3 MET 83 -4.932 -5.585 9.019 735 HE1 MET 83 HE1 MET 83 -3.553 -6.586 5.462 736 HE2 MET 83 HE2 MET 83 -3.426 -8.338 5.636 737 HE3 MET 83 HE3 MET 83 -2.380 -7.280 6.583 738 H ASP 84 H ASP 84 -4.849 -2.058 7.574 739 HA ASP 84 HA ASP 84 -6.355 -0.438 5.633 740 HB2 ASP 84 HB2 ASP 84 -6.024 0.117 8.212 741 HB3 ASP 84 HB3 ASP 84 -4.483 0.750 7.648 742 H PHE 85 H PHE 85 -5.328 -0.008 3.754 743 HA PHE 85 HA PHE 85 -2.390 -0.241 3.746 744 HB2 PHE 85 HB2 PHE 85 -4.236 -0.870 1.432 745 HB3 PHE 85 HB3 PHE 85 -2.502 -1.149 1.508 746 HD1 PHE 85 HD1 PHE 85 -1.650 -2.830 3.227 747 HD2 PHE 85 HD2 PHE 85 -5.735 -2.513 2.087 748 HE1 PHE 85 HE1 PHE 85 -2.053 -5.110 4.054 749 HE2 PHE 85 HE2 PHE 85 -6.151 -4.793 2.919 750 HZ PHE 85 HZ PHE 85 -4.307 -6.094 3.904 751 H VAL 86 H VAL 86 -1.602 1.753 3.659 752 HA VAL 86 HA VAL 86 -2.809 3.677 1.820 753 HB VAL 86 HB VAL 86 -2.315 4.618 3.982 754 HG11 VAL 86 HG11 VAL 86 0.528 3.724 3.555 755 HG12 VAL 86 HG12 VAL 86 -0.607 3.086 4.744 756 HG13 VAL 86 HG13 VAL 86 -0.034 4.749 4.874 757 HG21 VAL 86 HG21 VAL 86 -1.980 6.074 2.053 758 HG22 VAL 86 HG22 VAL 86 -0.287 5.581 1.966 759 HG23 VAL 86 HG23 VAL 86 -0.875 6.483 3.364 760 H VAL 87 H VAL 87 -2.125 3.761 -0.166 761 HA VAL 87 HA VAL 87 0.432 2.510 -0.849 762 HB VAL 87 HB VAL 87 -1.832 3.319 -2.684 763 HG11 VAL 87 HG11 VAL 87 -0.710 1.865 -4.314 764 HG12 VAL 87 HG12 VAL 87 0.599 1.600 -3.161 765 HG13 VAL 87 HG13 VAL 87 0.315 3.213 -3.816 766 HG21 VAL 87 HG21 VAL 87 -2.354 0.908 -2.772 767 HG22 VAL 87 HG22 VAL 87 -2.579 1.587 -1.161 768 HG23 VAL 87 HG23 VAL 87 -1.148 0.622 -1.519 769 H VAL 88 H VAL 88 2.112 3.768 -1.197 770 HA VAL 88 HA VAL 88 1.649 6.524 -2.122 771 HB VAL 88 HB VAL 88 4.043 5.484 -0.593 772 HG11 VAL 88 HG11 VAL 88 3.250 8.283 -1.390 773 HG12 VAL 88 HG12 VAL 88 4.584 7.346 -2.065 774 HG13 VAL 88 HG13 VAL 88 4.629 7.860 -0.377 775 HG21 VAL 88 HG21 VAL 88 2.052 5.512 0.820 776 HG22 VAL 88 HG22 VAL 88 1.741 7.187 0.365 777 HG23 VAL 88 HG23 VAL 88 3.181 6.779 1.298 778 H ALA 89 H ALA 89 1.867 6.424 -4.276 779 HA ALA 89 HA ALA 89 3.829 4.799 -5.585 780 HB1 ALA 89 HB1 ALA 89 2.203 7.104 -6.670 781 HB2 ALA 89 HB2 ALA 89 1.719 5.408 -6.686 782 HB3 ALA 89 HB3 ALA 89 3.117 5.935 -7.623 783 H LYS 90 H LYS 90 5.862 5.357 -6.220 784 HA LYS 90 HA LYS 90 6.866 7.850 -5.081 785 HB2 LYS 90 HB2 LYS 90 8.359 5.442 -6.128 786 HB3 LYS 90 HB3 LYS 90 9.090 6.826 -5.333 787 HG2 LYS 90 HG2 LYS 90 6.988 5.256 -3.912 788 HG3 LYS 90 HG3 LYS 90 8.626 4.619 -4.022 789 HD2 LYS 90 HD2 LYS 90 8.471 5.794 -1.961 790 HD3 LYS 90 HD3 LYS 90 9.434 6.792 -3.046 791 HE2 LYS 90 HE2 LYS 90 7.505 8.202 -3.489 792 HE3 LYS 90 HE3 LYS 90 6.495 7.171 -2.478 793 HZ1 LYS 90 HZ1 LYS 90 7.253 9.212 -1.357 794 HZ2 LYS 90 HZ2 LYS 90 8.861 8.687 -1.508 795 HZ3 LYS 90 HZ3 LYS 90 7.766 7.806 -0.559 796 H LYS 91 H LYS 91 9.119 8.278 -6.557 797 HA LYS 91 HA LYS 91 7.922 9.655 -8.784 798 HB2 LYS 91 HB2 LYS 91 9.552 10.726 -7.262 799 HB3 LYS 91 HB3 LYS 91 10.787 9.613 -7.824 800 HG2 LYS 91 HG2 LYS 91 10.606 10.544 -10.073 801 HG3 LYS 91 HG3 LYS 91 9.359 11.660 -9.508 802 HD2 LYS 91 HD2 LYS 91 12.212 11.533 -8.527 803 HD3 LYS 91 HD3 LYS 91 11.534 12.761 -9.600 804 HE2 LYS 91 HE2 LYS 91 10.031 13.507 -7.864 805 HE3 LYS 91 HE3 LYS 91 10.571 12.213 -6.795 806 HZ1 LYS 91 HZ1 LYS 91 11.599 14.345 -6.260 807 HZ2 LYS 91 HZ2 LYS 91 12.284 14.416 -7.807 808 HZ3 LYS 91 HZ3 LYS 91 12.757 13.197 -6.729 809 H GLY 92 H GLY 92 7.989 9.080 -10.856 810 HA2 GLY 92 HA2 GLY 92 9.205 8.334 -12.778 811 HA3 GLY 92 HA3 GLY 92 10.107 7.242 -11.740 812 H VAL 93 H VAL 93 7.156 6.800 -10.597 813 HA VAL 93 HA VAL 93 6.864 4.258 -11.773 814 HB VAL 93 HB VAL 93 6.035 4.865 -9.513 815 HG11 VAL 93 HG11 VAL 93 5.057 7.021 -9.962 816 HG12 VAL 93 HG12 VAL 93 3.823 5.944 -9.310 817 HG13 VAL 93 HG13 VAL 93 3.863 6.295 -11.038 818 HG21 VAL 93 HG21 VAL 93 3.975 3.535 -9.611 819 HG22 VAL 93 HG22 VAL 93 5.274 2.819 -10.564 820 HG23 VAL 93 HG23 VAL 93 3.968 3.691 -11.368 821 H ALA 94 H ALA 94 5.730 7.360 -12.764 822 HA ALA 94 HA ALA 94 3.512 6.398 -14.319 823 HB1 ALA 94 HB1 ALA 94 3.496 8.622 -13.302 824 HB2 ALA 94 HB2 ALA 94 3.284 8.704 -15.051 825 HB3 ALA 94 HB3 ALA 94 4.844 9.100 -14.330 826 H ASP 95 H ASP 95 6.705 6.019 -14.794 827 HA ASP 95 HA ASP 95 6.547 6.462 -17.703 828 HB2 ASP 95 HB2 ASP 95 8.398 7.553 -16.293 829 HB3 ASP 95 HB3 ASP 95 9.074 5.935 -16.148 830 H LEU 96 H LEU 96 5.631 4.145 -15.903 831 HA LEU 96 HA LEU 96 7.256 1.919 -16.482 832 HB2 LEU 96 HB2 LEU 96 5.206 0.578 -15.912 833 HB3 LEU 96 HB3 LEU 96 5.760 1.692 -14.682 834 HG LEU 96 HG LEU 96 3.954 3.295 -15.563 835 HD11 LEU 96 HD11 LEU 96 3.469 2.152 -17.656 836 HD12 LEU 96 HD12 LEU 96 2.034 2.233 -16.636 837 HD13 LEU 96 HD13 LEU 96 2.938 0.724 -16.768 838 HD21 LEU 96 HD21 LEU 96 3.827 2.137 -13.423 839 HD22 LEU 96 HD22 LEU 96 3.148 0.718 -14.219 840 HD23 LEU 96 HD23 LEU 96 2.242 2.230 -14.188 841 H ASP 97 H ASP 97 6.802 0.125 -17.863 842 HA ASP 97 HA ASP 97 6.089 0.944 -20.534 843 HB2 ASP 97 HB2 ASP 97 8.004 -0.580 -20.013 844 HB3 ASP 97 HB3 ASP 97 6.850 -1.800 -19.494 845 H ASN 98 H ASN 98 4.524 -0.236 -21.851 846 HA ASN 98 HA ASN 98 1.983 -0.403 -20.666 847 HB2 ASN 98 HB2 ASN 98 2.412 0.068 -23.068 848 HB3 ASN 98 HB3 ASN 98 2.897 -1.610 -23.287 849 HD21 ASN 98 HD21 ASN 98 1.357 -3.180 -23.459 850 HD22 ASN 98 HD22 ASN 98 -0.341 -2.838 -23.550 851 H ARG 99 H ARG 99 4.486 -2.767 -21.108 852 HA ARG 99 HA ARG 99 2.725 -4.991 -20.428 853 HB2 ARG 99 HB2 ARG 99 4.487 -5.304 -22.114 854 HB3 ARG 99 HB3 ARG 99 5.708 -4.889 -20.922 855 HG2 ARG 99 HG2 ARG 99 4.980 -6.862 -19.591 856 HG3 ARG 99 HG3 ARG 99 3.925 -7.311 -20.933 857 HD2 ARG 99 HD2 ARG 99 6.927 -7.028 -21.013 858 HD3 ARG 99 HD3 ARG 99 6.011 -8.535 -21.074 859 HE ARG 99 HE ARG 99 5.046 -7.183 -23.197 860 HH11 ARG 99 HH11 ARG 99 8.313 -7.876 -22.147 861 HH12 ARG 99 HH12 ARG 99 8.960 -7.916 -23.760 862 HH21 ARG 99 HH21 ARG 99 5.896 -7.217 -25.310 863 HH22 ARG 99 HH22 ARG 99 7.588 -7.514 -25.556 864 H ALA 100 H ALA 100 5.115 -2.918 -18.983 865 HA ALA 100 HA ALA 100 5.913 -4.526 -16.831 866 HB1 ALA 100 HB1 ALA 100 7.153 -2.555 -17.583 867 HB2 ALA 100 HB2 ALA 100 6.816 -2.504 -15.851 868 HB3 ALA 100 HB3 ALA 100 5.867 -1.517 -16.965 869 H LEU 101 H LEU 101 3.104 -2.472 -17.234 870 HA LEU 101 HA LEU 101 2.428 -2.233 -14.511 871 HB2 LEU 101 HB2 LEU 101 0.141 -1.711 -15.332 872 HB3 LEU 101 HB3 LEU 101 1.411 -0.751 -16.056 873 HG LEU 101 HG LEU 101 1.270 -2.494 -17.997 874 HD11 LEU 101 HD11 LEU 101 -0.986 -3.376 -18.338 875 HD12 LEU 101 HD12 LEU 101 -1.448 -2.807 -16.734 876 HD13 LEU 101 HD13 LEU 101 -0.223 -4.065 -16.905 877 HD21 LEU 101 HD21 LEU 101 -0.417 -1.118 -19.095 878 HD22 LEU 101 HD22 LEU 101 0.732 -0.129 -18.192 879 HD23 LEU 101 HD23 LEU 101 -0.877 -0.432 -17.536 880 H SER 102 H SER 102 2.126 -4.878 -16.703 881 HA SER 102 HA SER 102 0.302 -6.307 -14.926 882 HB2 SER 102 HB2 SER 102 -0.057 -6.460 -17.369 883 HB3 SER 102 HB3 SER 102 1.551 -7.157 -17.557 884 HG SER 102 HG SER 102 0.218 -8.882 -17.456 885 H GLU 103 H GLU 103 3.612 -6.332 -16.083 886 HA GLU 103 HA GLU 103 4.457 -8.760 -14.967 887 HB2 GLU 103 HB2 GLU 103 6.030 -6.243 -15.542 888 HB3 GLU 103 HB3 GLU 103 6.740 -7.812 -15.188 889 HG2 GLU 103 HG2 GLU 103 4.946 -7.221 -17.531 890 HG3 GLU 103 HG3 GLU 103 6.707 -7.278 -17.590 891 H ALA 104 H ALA 104 4.441 -5.469 -13.656 892 HA ALA 104 HA ALA 104 5.708 -6.307 -11.200 893 HB1 ALA 104 HB1 ALA 104 5.498 -3.989 -10.516 894 HB2 ALA 104 HB2 ALA 104 4.456 -3.654 -11.898 895 HB3 ALA 104 HB3 ALA 104 6.148 -4.086 -12.152 896 H LEU 105 H LEU 105 2.513 -6.060 -12.398 897 HA LEU 105 HA LEU 105 1.132 -5.507 -10.002 898 HB2 LEU 105 HB2 LEU 105 0.168 -5.244 -12.252 899 HB3 LEU 105 HB3 LEU 105 0.192 -6.984 -12.459 900 HG LEU 105 HG LEU 105 -1.435 -7.246 -10.656 901 HD11 LEU 105 HD11 LEU 105 -2.515 -5.304 -9.658 902 HD12 LEU 105 HD12 LEU 105 -1.430 -4.232 -10.541 903 HD13 LEU 105 HD13 LEU 105 -0.788 -5.313 -9.305 904 HD21 LEU 105 HD21 LEU 105 -3.356 -6.256 -11.790 905 HD22 LEU 105 HD22 LEU 105 -2.231 -6.968 -12.948 906 HD23 LEU 105 HD23 LEU 105 -2.278 -5.218 -12.725 907 H GLU 106 H GLU 106 1.944 -8.559 -11.629 908 HA GLU 106 HA GLU 106 0.669 -10.216 -9.720 909 HB2 GLU 106 HB2 GLU 106 2.046 -12.036 -10.714 910 HB3 GLU 106 HB3 GLU 106 1.148 -11.096 -11.896 911 HG2 GLU 106 HG2 GLU 106 3.128 -9.898 -12.532 912 HG3 GLU 106 HG3 GLU 106 4.053 -10.674 -11.247 913 H LYS 107 H LYS 107 3.798 -8.717 -9.872 914 HA LYS 107 HA LYS 107 5.095 -10.272 -7.896 915 HB2 LYS 107 HB2 LYS 107 5.591 -7.374 -8.614 916 HB3 LYS 107 HB3 LYS 107 6.699 -8.437 -7.761 917 HG2 LYS 107 HG2 LYS 107 5.764 -8.830 -10.594 918 HG3 LYS 107 HG3 LYS 107 7.303 -8.116 -10.117 919 HD2 LYS 107 HD2 LYS 107 6.425 -10.901 -9.364 920 HD3 LYS 107 HD3 LYS 107 7.437 -10.527 -10.762 921 HE2 LYS 107 HE2 LYS 107 9.096 -9.508 -9.242 922 HE3 LYS 107 HE3 LYS 107 8.094 -9.968 -7.868 923 HZ1 LYS 107 HZ1 LYS 107 9.272 -11.870 -9.820 924 HZ2 LYS 107 HZ2 LYS 107 8.381 -12.274 -8.436 925 HZ3 LYS 107 HZ3 LYS 107 9.902 -11.545 -8.281 926 H LEU 108 H LEU 108 3.200 -7.299 -7.784 927 HA LEU 108 HA LEU 108 3.516 -6.697 -5.073 928 HB2 LEU 108 HB2 LEU 108 1.155 -6.176 -6.883 929 HB3 LEU 108 HB3 LEU 108 1.392 -5.439 -5.311 930 HG LEU 108 HG LEU 108 3.207 -5.068 -7.697 931 HD11 LEU 108 HD11 LEU 108 2.318 -2.773 -7.700 932 HD12 LEU 108 HD12 LEU 108 1.175 -3.230 -6.438 933 HD13 LEU 108 HD13 LEU 108 1.070 -3.975 -8.033 934 HD21 LEU 108 HD21 LEU 108 3.220 -3.722 -4.998 935 HD22 LEU 108 HD22 LEU 108 4.290 -3.357 -6.354 936 HD23 LEU 108 HD23 LEU 108 4.385 -4.924 -5.550 937 H TRP 109 H TRP 109 0.896 -8.499 -6.691 938 HA TRP 109 HA TRP 109 -0.554 -9.194 -4.411 939 HB2 TRP 109 HB2 TRP 109 -0.224 -10.562 -7.073 940 HB3 TRP 109 HB3 TRP 109 -1.249 -11.235 -5.816 941 HD1 TRP 109 HD1 TRP 109 -2.621 -8.497 -4.854 942 HE1 TRP 109 HE1 TRP 109 -4.376 -7.402 -6.389 943 HE3 TRP 109 HE3 TRP 109 -1.261 -10.639 -9.286 944 HZ2 TRP 109 HZ2 TRP 109 -5.085 -7.448 -9.122 945 HZ3 TRP 109 HZ3 TRP 109 -2.529 -10.065 -11.315 946 HH2 TRP 109 HH2 TRP 109 -4.402 -8.502 -11.231 947 H ARG 110 H ARG 110 1.960 -11.038 -6.097 948 HA ARG 110 HA ARG 110 1.714 -13.377 -4.604 949 HB2 ARG 110 HB2 ARG 110 2.922 -12.916 -6.839 950 HB3 ARG 110 HB3 ARG 110 4.306 -12.499 -5.839 951 HG2 ARG 110 HG2 ARG 110 4.387 -14.712 -4.920 952 HG3 ARG 110 HG3 ARG 110 2.873 -15.144 -5.721 953 HD2 ARG 110 HD2 ARG 110 4.009 -14.675 -7.908 954 HD3 ARG 110 HD3 ARG 110 5.520 -14.515 -7.014 955 HE ARG 110 HE ARG 110 4.648 -16.937 -6.234 956 HH11 ARG 110 HH11 ARG 110 4.948 -15.478 -9.414 957 HH12 ARG 110 HH12 ARG 110 5.289 -16.992 -10.210 958 HH21 ARG 110 HH21 ARG 110 5.093 -18.929 -7.295 959 HH22 ARG 110 HH22 ARG 110 5.377 -18.929 -9.017 960 H ARG 111 H ARG 111 3.979 -10.660 -4.173 961 HA ARG 111 HA ARG 111 5.226 -11.935 -1.921 962 HB2 ARG 111 HB2 ARG 111 6.516 -10.433 -3.363 963 HB3 ARG 111 HB3 ARG 111 5.472 -9.090 -2.916 964 HG2 ARG 111 HG2 ARG 111 7.538 -8.977 -1.678 965 HG3 ARG 111 HG3 ARG 111 6.199 -9.321 -0.581 966 HD2 ARG 111 HD2 ARG 111 6.891 -11.818 -1.042 967 HD3 ARG 111 HD3 ARG 111 8.437 -11.083 -1.467 968 HE ARG 111 HE ARG 111 7.132 -10.814 1.164 969 HH11 ARG 111 HH11 ARG 111 10.020 -11.001 -0.823 970 HH12 ARG 111 HH12 ARG 111 11.099 -10.918 0.541 971 HH21 ARG 111 HH21 ARG 111 8.541 -10.763 2.937 972 HH22 ARG 111 HH22 ARG 111 10.262 -10.810 2.671 973 H HIS 112 H HIS 112 2.743 -9.456 -2.365 974 HA HIS 112 HA HIS 112 2.777 -8.541 0.326 975 HB2 HIS 112 HB2 HIS 112 1.741 -7.431 -1.791 976 HB3 HIS 112 HB3 HIS 112 0.326 -8.403 -1.403 977 HD1 HIS 112 HD1 HIS 112 -0.545 -8.006 1.207 978 HD2 HIS 112 HD2 HIS 112 1.772 -5.034 -0.548 979 HE1 HIS 112 HE1 HIS 112 -0.950 -5.935 2.575 980 HE2 HIS 112 HE2 HIS 112 0.555 -4.184 1.566 981 H CYS 113 H CYS 113 1.202 -11.187 -1.308 982 HA CYS 113 HA CYS 113 -0.679 -11.791 0.726 983 HB2 CYS 113 HB2 CYS 113 -0.863 -12.660 -1.583 984 HB3 CYS 113 HB3 CYS 113 0.571 -13.646 -1.316 985 HG CYS 113 HG CYS 113 -2.434 -13.994 0.299 986 H ARG 114 H ARG 114 2.555 -13.100 -0.016 987 HA ARG 114 HA ARG 114 2.733 -14.897 2.122 988 HB2 ARG 114 HB2 ARG 114 4.863 -13.370 0.631 989 HB3 ARG 114 HB3 ARG 114 5.242 -14.557 1.868 990 HG2 ARG 114 HG2 ARG 114 3.696 -15.105 -0.655 991 HG3 ARG 114 HG3 ARG 114 5.402 -15.475 -0.394 992 HD2 ARG 114 HD2 ARG 114 4.691 -16.887 1.557 993 HD3 ARG 114 HD3 ARG 114 3.024 -16.645 1.040 994 HE ARG 114 HE ARG 114 4.364 -17.570 -1.183 995 HH11 ARG 114 HH11 ARG 114 3.666 -18.757 2.051 996 HH12 ARG 114 HH12 ARG 114 3.798 -20.433 1.588 997 HH21 ARG 114 HH21 ARG 114 4.483 -19.767 -1.784 998 HH22 ARG 114 HH22 ARG 114 4.245 -21.000 -0.585 999 H LEU 115 H LEU 115 3.561 -11.473 1.926 1000 HA LEU 115 HA LEU 115 4.688 -11.197 4.485 1001 HB2 LEU 115 HB2 LEU 115 4.879 -9.535 2.671 1002 HB3 LEU 115 HB3 LEU 115 3.177 -9.156 2.853 1003 HG LEU 115 HG LEU 115 3.639 -8.364 5.164 1004 HD11 LEU 115 HD11 LEU 115 6.513 -8.800 4.370 1005 HD12 LEU 115 HD12 LEU 115 5.631 -9.674 5.624 1006 HD13 LEU 115 HD13 LEU 115 5.964 -7.952 5.816 1007 HD21 LEU 115 HD21 LEU 115 5.298 -7.037 3.025 1008 HD22 LEU 115 HD22 LEU 115 4.688 -6.282 4.499 1009 HD23 LEU 115 HD23 LEU 115 3.563 -6.823 3.253 1010 H ALA 116 H ALA 116 1.378 -11.262 3.385 1011 HA ALA 116 HA ALA 116 0.319 -10.324 5.916 1012 HB1 ALA 116 HB1 ALA 116 -1.864 -10.646 4.874 1013 HB2 ALA 116 HB2 ALA 116 -1.092 -11.400 3.480 1014 HB3 ALA 116 HB3 ALA 116 -0.793 -9.700 3.840 1015 H ARG 117 H ARG 117 1.402 -13.253 4.674 1016 HA ARG 117 HA ARG 117 -0.341 -14.879 6.367 1017 HB2 ARG 117 HB2 ARG 117 1.873 -15.695 4.470 1018 HB3 ARG 117 HB3 ARG 117 0.848 -16.807 5.365 1019 HG2 ARG 117 HG2 ARG 117 -0.056 -14.877 3.237 1020 HG3 ARG 117 HG3 ARG 117 0.122 -16.623 3.062 1021 HD2 ARG 117 HD2 ARG 117 -1.814 -15.166 4.854 1022 HD3 ARG 117 HD3 ARG 117 -2.204 -16.075 3.395 1023 HE ARG 117 HE ARG 117 -0.928 -17.497 5.615 1024 HH11 ARG 117 HH11 ARG 117 -3.763 -16.924 3.635 1025 HH12 ARG 117 HH12 ARG 117 -4.659 -18.246 4.314 1026 HH21 ARG 117 HH21 ARG 117 -2.093 -19.237 6.500 1027 HH22 ARG 117 HH22 ARG 117 -3.711 -19.572 5.941 1028 H GLY 118 H GLY 118 2.153 -12.988 6.953 1029 HA2 GLY 118 HA2 GLY 118 3.697 -12.861 8.647 1030 HA3 GLY 118 HA3 GLY 118 2.930 -14.280 9.347 1031 H SER 119 H SER 119 4.494 -13.968 6.193 1032 HA SER 119 HA SER 119 6.451 -15.982 7.066 1033 HB2 SER 119 HB2 SER 119 5.285 -15.683 4.286 1034 HB3 SER 119 HB3 SER 119 6.355 -16.969 4.856 1035 HG SER 119 HG SER 119 3.986 -16.545 6.266 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -5.517 -18.243 22.930 2 H2 MET 1 H2 MET 1 -6.346 -19.335 21.934 3 H3 MET 1 H3 MET 1 -7.193 -18.105 22.729 4 HA MET 1 HA MET 1 -5.154 -17.729 20.626 5 HB2 MET 1 HB2 MET 1 -6.989 -16.990 19.205 6 HB3 MET 1 HB3 MET 1 -7.283 -18.626 19.764 7 HG2 MET 1 HG2 MET 1 -8.533 -16.163 20.957 8 HG3 MET 1 HG3 MET 1 -9.295 -17.194 19.748 9 HE1 MET 1 HE1 MET 1 -11.420 -17.459 21.334 10 HE2 MET 1 HE2 MET 1 -10.646 -16.432 22.542 11 HE3 MET 1 HE3 MET 1 -11.322 -17.993 23.010 12 H VAL 2 H VAL 2 -4.368 -15.725 20.401 13 HA VAL 2 HA VAL 2 -5.461 -13.657 22.183 14 HB VAL 2 HB VAL 2 -3.161 -14.067 22.694 15 HG11 VAL 2 HG11 VAL 2 -1.355 -13.858 21.058 16 HG12 VAL 2 HG12 VAL 2 -2.546 -13.623 19.777 17 HG13 VAL 2 HG13 VAL 2 -2.471 -15.159 20.641 18 HG21 VAL 2 HG21 VAL 2 -3.398 -11.540 21.066 19 HG22 VAL 2 HG22 VAL 2 -2.143 -11.876 22.258 20 HG23 VAL 2 HG23 VAL 2 -3.826 -11.737 22.766 21 H LYS 3 H LYS 3 -6.841 -12.365 21.181 22 HA LYS 3 HA LYS 3 -6.564 -11.979 18.295 23 HB2 LYS 3 HB2 LYS 3 -8.750 -12.694 19.482 24 HB3 LYS 3 HB3 LYS 3 -8.868 -11.009 19.969 25 HG2 LYS 3 HG2 LYS 3 -10.184 -11.452 17.975 26 HG3 LYS 3 HG3 LYS 3 -8.877 -10.315 17.639 27 HD2 LYS 3 HD2 LYS 3 -7.556 -12.061 16.624 28 HD3 LYS 3 HD3 LYS 3 -8.741 -13.281 17.088 29 HE2 LYS 3 HE2 LYS 3 -9.325 -10.975 15.238 30 HE3 LYS 3 HE3 LYS 3 -8.844 -12.578 14.689 31 HZ1 LYS 3 HZ1 LYS 3 -11.292 -11.916 16.250 32 HZ2 LYS 3 HZ2 LYS 3 -10.815 -13.482 15.807 33 HZ3 LYS 3 HZ3 LYS 3 -11.227 -12.353 14.612 34 H LEU 4 H LEU 4 -4.664 -10.648 18.775 35 HA LEU 4 HA LEU 4 -3.561 -8.684 18.905 36 HB2 LEU 4 HB2 LEU 4 -6.267 -7.674 18.069 37 HB3 LEU 4 HB3 LEU 4 -4.887 -6.612 18.257 38 HG LEU 4 HG LEU 4 -5.049 -7.083 15.951 39 HD11 LEU 4 HD11 LEU 4 -2.774 -7.142 16.764 40 HD12 LEU 4 HD12 LEU 4 -2.979 -8.308 15.456 41 HD13 LEU 4 HD13 LEU 4 -2.922 -8.863 17.129 42 HD21 LEU 4 HD21 LEU 4 -5.131 -9.350 15.023 43 HD22 LEU 4 HD22 LEU 4 -6.529 -9.007 16.045 44 HD23 LEU 4 HD23 LEU 4 -5.213 -10.010 16.656 45 H ALA 5 H ALA 5 -3.397 -9.177 21.212 46 HA ALA 5 HA ALA 5 -4.860 -7.246 22.874 47 HB1 ALA 5 HB1 ALA 5 -5.078 -9.584 23.581 48 HB2 ALA 5 HB2 ALA 5 -4.236 -8.616 24.791 49 HB3 ALA 5 HB3 ALA 5 -3.325 -9.699 23.739 50 H PHE 6 H PHE 6 -3.741 -5.410 22.865 51 HA PHE 6 HA PHE 6 -0.819 -5.498 23.060 52 HB2 PHE 6 HB2 PHE 6 -2.641 -3.147 22.476 53 HB3 PHE 6 HB3 PHE 6 -0.885 -3.142 22.388 54 HD1 PHE 6 HD1 PHE 6 0.200 -4.770 20.708 55 HD2 PHE 6 HD2 PHE 6 -3.902 -3.644 20.602 56 HE1 PHE 6 HE1 PHE 6 0.076 -5.449 18.345 57 HE2 PHE 6 HE2 PHE 6 -4.032 -4.320 18.241 58 HZ PHE 6 HZ PHE 6 -2.041 -5.226 17.110 59 HA PRO 7 HA PRO 7 -0.827 -4.105 27.285 60 HB2 PRO 7 HB2 PRO 7 1.439 -2.340 26.654 61 HB3 PRO 7 HB3 PRO 7 1.369 -3.729 27.741 62 HG2 PRO 7 HG2 PRO 7 2.698 -3.823 25.407 63 HG3 PRO 7 HG3 PRO 7 1.848 -5.236 26.063 64 HD2 PRO 7 HD2 PRO 7 0.998 -3.349 23.897 65 HD3 PRO 7 HD3 PRO 7 0.839 -5.116 23.978 66 H ARG 8 H ARG 8 -0.967 -2.149 28.617 67 HA ARG 8 HA ARG 8 -2.873 -0.352 27.613 68 HB2 ARG 8 HB2 ARG 8 -1.124 -0.276 30.070 69 HB3 ARG 8 HB3 ARG 8 -2.351 0.941 29.744 70 HG2 ARG 8 HG2 ARG 8 -2.991 -1.987 29.843 71 HG3 ARG 8 HG3 ARG 8 -2.992 -0.966 31.282 72 HD2 ARG 8 HD2 ARG 8 -4.542 -0.162 28.852 73 HD3 ARG 8 HD3 ARG 8 -5.204 -1.347 29.977 74 HE ARG 8 HE ARG 8 -5.261 0.312 31.667 75 HH11 ARG 8 HH11 ARG 8 -4.245 1.599 28.554 76 HH12 ARG 8 HH12 ARG 8 -4.612 3.240 28.985 77 HH21 ARG 8 HH21 ARG 8 -5.770 2.466 32.196 78 HH22 ARG 8 HH22 ARG 8 -5.492 3.723 31.026 79 H GLU 9 H GLU 9 0.599 -0.144 27.833 80 HA GLU 9 HA GLU 9 0.843 2.627 27.321 81 HB2 GLU 9 HB2 GLU 9 2.640 1.292 28.326 82 HB3 GLU 9 HB3 GLU 9 2.802 0.377 26.834 83 HG2 GLU 9 HG2 GLU 9 4.557 2.012 27.001 84 HG3 GLU 9 HG3 GLU 9 3.480 2.418 25.666 85 H LEU 10 H LEU 10 0.515 -0.179 25.246 86 HA LEU 10 HA LEU 10 1.356 1.328 22.904 87 HB2 LEU 10 HB2 LEU 10 2.109 -1.016 23.323 88 HB3 LEU 10 HB3 LEU 10 0.455 -1.544 23.094 89 HG LEU 10 HG LEU 10 0.516 -0.733 20.769 90 HD11 LEU 10 HD11 LEU 10 3.416 -0.134 21.345 91 HD12 LEU 10 HD12 LEU 10 2.152 1.065 21.066 92 HD13 LEU 10 HD13 LEU 10 2.625 -0.036 19.772 93 HD21 LEU 10 HD21 LEU 10 1.101 -3.049 21.271 94 HD22 LEU 10 HD22 LEU 10 2.790 -2.581 21.479 95 HD23 LEU 10 HD23 LEU 10 2.023 -2.437 19.897 96 H ARG 11 H ARG 11 -1.526 0.767 24.543 97 HA ARG 11 HA ARG 11 -3.189 0.675 22.175 98 HB2 ARG 11 HB2 ARG 11 -3.907 0.856 25.100 99 HB3 ARG 11 HB3 ARG 11 -5.093 0.826 23.801 100 HG2 ARG 11 HG2 ARG 11 -4.089 -1.365 23.084 101 HG3 ARG 11 HG3 ARG 11 -3.161 -1.335 24.584 102 HD2 ARG 11 HD2 ARG 11 -5.278 -1.184 25.849 103 HD3 ARG 11 HD3 ARG 11 -6.166 -1.318 24.331 104 HE ARG 11 HE ARG 11 -4.430 -3.428 25.454 105 HH11 ARG 11 HH11 ARG 11 -7.203 -2.433 23.539 106 HH12 ARG 11 HH12 ARG 11 -7.715 -4.058 23.220 107 HH21 ARG 11 HH21 ARG 11 -5.113 -5.548 25.036 108 HH22 ARG 11 HH22 ARG 11 -6.526 -5.833 24.056 109 H LEU 12 H LEU 12 -2.401 2.629 21.247 110 HA LEU 12 HA LEU 12 -3.664 5.024 22.399 111 HB2 LEU 12 HB2 LEU 12 -1.224 5.185 22.028 112 HB3 LEU 12 HB3 LEU 12 -1.468 4.827 20.330 113 HG LEU 12 HG LEU 12 -2.752 6.921 20.081 114 HD11 LEU 12 HD11 LEU 12 -2.675 8.581 21.893 115 HD12 LEU 12 HD12 LEU 12 -1.968 7.367 22.957 116 HD13 LEU 12 HD13 LEU 12 -3.604 7.150 22.336 117 HD21 LEU 12 HD21 LEU 12 -0.008 7.256 21.285 118 HD22 LEU 12 HD22 LEU 12 -0.848 8.446 20.291 119 HD23 LEU 12 HD23 LEU 12 -0.368 6.899 19.594 120 H LEU 13 H LEU 13 -5.627 5.296 21.553 121 HA LEU 13 HA LEU 13 -6.247 4.201 18.959 122 HB2 LEU 13 HB2 LEU 13 -8.555 4.902 19.402 123 HB3 LEU 13 HB3 LEU 13 -7.896 3.911 20.685 124 HG LEU 13 HG LEU 13 -7.973 6.914 20.912 125 HD11 LEU 13 HD11 LEU 13 -10.116 4.963 21.750 126 HD12 LEU 13 HD12 LEU 13 -10.246 6.133 20.436 127 HD13 LEU 13 HD13 LEU 13 -10.084 6.691 22.101 128 HD21 LEU 13 HD21 LEU 13 -7.974 6.402 23.314 129 HD22 LEU 13 HD22 LEU 13 -6.557 5.735 22.503 130 HD23 LEU 13 HD23 LEU 13 -7.900 4.680 22.940 131 H THR 14 H THR 14 -5.173 5.362 17.471 132 HA THR 14 HA THR 14 -5.743 8.223 17.246 133 HB THR 14 HB THR 14 -3.811 6.512 15.654 134 HG1 THR 14 HG1 THR 14 -2.846 8.445 17.392 135 HG21 THR 14 HG21 THR 14 -4.545 8.515 14.447 136 HG22 THR 14 HG22 THR 14 -2.855 8.652 14.937 137 HG23 THR 14 HG23 THR 14 -4.107 9.515 15.834 138 HA PRO 15 HA PRO 15 -8.977 6.862 14.353 139 HB2 PRO 15 HB2 PRO 15 -9.864 9.449 13.922 140 HB3 PRO 15 HB3 PRO 15 -10.458 8.370 15.187 141 HG2 PRO 15 HG2 PRO 15 -8.473 10.586 15.359 142 HG3 PRO 15 HG3 PRO 15 -9.698 10.080 16.536 143 HD2 PRO 15 HD2 PRO 15 -7.078 9.489 16.823 144 HD3 PRO 15 HD3 PRO 15 -8.365 8.405 17.390 145 H SER 16 H SER 16 -6.538 9.360 13.923 146 HA SER 16 HA SER 16 -6.807 9.390 11.052 147 HB2 SER 16 HB2 SER 16 -4.496 10.403 12.728 148 HB3 SER 16 HB3 SER 16 -4.887 10.859 11.070 149 HG SER 16 HG SER 16 -6.237 11.510 13.466 150 H GLN 17 H GLN 17 -6.589 7.279 10.398 151 HA GLN 17 HA GLN 17 -4.793 5.421 11.446 152 HB2 GLN 17 HB2 GLN 17 -5.401 4.011 9.565 153 HB3 GLN 17 HB3 GLN 17 -6.823 4.825 10.198 154 HG2 GLN 17 HG2 GLN 17 -6.520 6.524 8.357 155 HG3 GLN 17 HG3 GLN 17 -5.320 5.432 7.672 156 HE21 GLN 17 HE21 GLN 17 -5.994 3.367 6.952 157 HE22 GLN 17 HE22 GLN 17 -7.644 3.100 6.495 158 H PHE 18 H PHE 18 -4.409 7.665 8.752 159 HA PHE 18 HA PHE 18 -2.113 6.456 7.633 160 HB2 PHE 18 HB2 PHE 18 -3.498 8.059 6.395 161 HB3 PHE 18 HB3 PHE 18 -3.027 9.339 7.506 162 HD1 PHE 18 HD2 PHE 18 -1.683 6.956 4.998 163 HD2 PHE 18 HD1 PHE 18 -1.106 10.612 7.103 164 HE1 PHE 18 HE2 PHE 18 0.245 7.475 3.561 165 HE2 PHE 18 HE1 PHE 18 0.823 11.137 5.668 166 HZ PHE 18 HZ PHE 18 1.501 9.569 3.896 167 H THR 19 H THR 19 -2.564 8.875 10.131 168 HA THR 19 HA THR 19 0.192 9.549 10.405 169 HB THR 19 HB THR 19 -1.891 9.854 12.570 170 HG1 THR 19 HG1 THR 19 -2.357 11.901 11.511 171 HG21 THR 19 HG21 THR 19 0.470 11.551 11.750 172 HG22 THR 19 HG22 THR 19 0.414 10.468 13.140 173 HG23 THR 19 HG23 THR 19 -0.629 11.891 13.087 174 H PHE 20 H PHE 20 -1.626 6.835 11.289 175 HA PHE 20 HA PHE 20 0.091 6.185 13.574 176 HB2 PHE 20 HB2 PHE 20 -2.363 5.997 13.838 177 HB3 PHE 20 HB3 PHE 20 -2.394 4.792 12.556 178 HD1 PHE 20 HD1 PHE 20 -1.147 5.490 15.964 179 HD2 PHE 20 HD2 PHE 20 -1.940 2.526 13.011 180 HE1 PHE 20 HE1 PHE 20 -0.782 3.727 17.640 181 HE2 PHE 20 HE2 PHE 20 -1.575 0.759 14.683 182 HZ PHE 20 HZ PHE 20 -0.996 1.358 17.001 183 H VAL 21 H VAL 21 -1.052 4.769 10.506 184 HA VAL 21 HA VAL 21 0.525 2.415 10.769 185 HB VAL 21 HB VAL 21 -0.096 1.909 8.463 186 HG11 VAL 21 HG11 VAL 21 -2.385 3.013 10.085 187 HG12 VAL 21 HG12 VAL 21 -1.677 1.406 10.235 188 HG13 VAL 21 HG13 VAL 21 -2.528 1.859 8.757 189 HG21 VAL 21 HG21 VAL 21 0.086 4.140 7.497 190 HG22 VAL 21 HG22 VAL 21 -1.326 4.665 8.414 191 HG23 VAL 21 HG23 VAL 21 -1.496 3.437 7.159 192 H PHE 22 H PHE 22 1.224 5.572 9.583 193 HA PHE 22 HA PHE 22 3.363 4.737 7.839 194 HB2 PHE 22 HB2 PHE 22 1.913 6.766 7.458 195 HB3 PHE 22 HB3 PHE 22 2.733 7.530 8.812 196 HD1 PHE 22 HD1 PHE 22 3.411 5.926 5.527 197 HD2 PHE 22 HD2 PHE 22 4.646 8.778 8.435 198 HE1 PHE 22 HE1 PHE 22 5.164 6.724 3.995 199 HE2 PHE 22 HE2 PHE 22 6.401 9.580 6.909 200 HZ PHE 22 HZ PHE 22 6.664 8.552 4.686 201 H GLN 23 H GLN 23 3.066 5.126 11.156 202 HA GLN 23 HA GLN 23 5.530 6.323 11.831 203 HB2 GLN 23 HB2 GLN 23 3.797 4.391 13.380 204 HB3 GLN 23 HB3 GLN 23 5.181 5.240 14.057 205 HG2 GLN 23 HG2 GLN 23 4.113 7.368 13.672 206 HG3 GLN 23 HG3 GLN 23 2.756 6.574 12.878 207 HE21 GLN 23 HE21 GLN 23 1.294 7.434 14.321 208 HE22 GLN 23 HE22 GLN 23 1.156 6.881 15.958 209 H GLN 24 H GLN 24 4.672 2.871 12.163 210 HA GLN 24 HA GLN 24 7.416 2.216 11.321 211 HB2 GLN 24 HB2 GLN 24 5.825 0.923 13.544 212 HB3 GLN 24 HB3 GLN 24 7.329 0.279 12.903 213 HG2 GLN 24 HG2 GLN 24 8.481 2.336 13.606 214 HG3 GLN 24 HG3 GLN 24 6.967 2.924 14.296 215 HE21 GLN 24 HE21 GLN 24 6.170 1.993 16.173 216 HE22 GLN 24 HE22 GLN 24 7.142 0.969 17.180 217 HA PRO 25 HA PRO 25 4.497 -0.268 8.806 218 HB2 PRO 25 HB2 PRO 25 4.891 0.857 6.421 219 HB3 PRO 25 HB3 PRO 25 3.900 1.652 7.649 220 HG2 PRO 25 HG2 PRO 25 6.637 2.304 6.717 221 HG3 PRO 25 HG3 PRO 25 5.392 3.370 7.391 222 HD2 PRO 25 HD2 PRO 25 7.618 2.185 8.752 223 HD3 PRO 25 HD3 PRO 25 6.341 3.209 9.439 224 H GLN 26 H GLN 26 4.886 -1.788 7.056 225 HA GLN 26 HA GLN 26 7.706 -2.529 6.790 226 HB2 GLN 26 HB2 GLN 26 5.161 -4.100 6.379 227 HB3 GLN 26 HB3 GLN 26 6.735 -4.698 5.874 228 HG2 GLN 26 HG2 GLN 26 5.930 -3.990 8.686 229 HG3 GLN 26 HG3 GLN 26 6.101 -5.617 8.028 230 HE21 GLN 26 HE21 GLN 26 7.478 -4.322 10.261 231 HE22 GLN 26 HE22 GLN 26 9.166 -4.402 9.893 232 H ARG 27 H ARG 27 8.734 -2.230 4.956 233 HA ARG 27 HA ARG 27 7.477 -0.868 2.792 234 HB2 ARG 27 HB2 ARG 27 9.924 -0.730 3.693 235 HB3 ARG 27 HB3 ARG 27 10.213 -2.107 2.641 236 HG2 ARG 27 HG2 ARG 27 9.086 0.515 1.687 237 HG3 ARG 27 HG3 ARG 27 10.803 0.123 1.682 238 HD2 ARG 27 HD2 ARG 27 8.652 -1.398 0.217 239 HD3 ARG 27 HD3 ARG 27 9.758 -0.234 -0.507 240 HE ARG 27 HE ARG 27 11.407 -2.055 0.674 241 HH11 ARG 27 HH11 ARG 27 8.774 -2.250 -1.615 242 HH12 ARG 27 HH12 ARG 27 9.394 -3.660 -2.420 243 HH21 ARG 27 HH21 ARG 27 12.243 -3.912 -0.394 244 HH22 ARG 27 HH22 ARG 27 11.369 -4.594 -1.737 245 H ALA 28 H ALA 28 6.035 -2.035 1.636 246 HA ALA 28 HA ALA 28 6.979 -4.561 0.448 247 HB1 ALA 28 HB1 ALA 28 4.946 -4.802 1.790 248 HB2 ALA 28 HB2 ALA 28 4.629 -5.121 0.085 249 HB3 ALA 28 HB3 ALA 28 4.144 -3.583 0.799 250 H GLY 29 H GLY 29 5.751 -4.903 -1.776 251 HA2 GLY 29 HA2 GLY 29 5.282 -4.151 -3.919 252 HA3 GLY 29 HA3 GLY 29 5.344 -2.501 -3.316 253 H THR 30 H THR 30 6.770 -1.435 -4.533 254 HA THR 30 HA THR 30 9.471 -2.578 -4.796 255 HB THR 30 HB THR 30 9.602 -1.531 -7.082 256 HG1 THR 30 HG1 THR 30 6.866 -1.568 -7.397 257 HG21 THR 30 HG21 THR 30 9.232 -3.935 -6.836 258 HG22 THR 30 HG22 THR 30 8.366 -3.297 -8.234 259 HG23 THR 30 HG23 THR 30 7.491 -3.662 -6.747 260 HA PRO 31 HA PRO 31 10.895 1.572 -3.752 261 HB2 PRO 31 HB2 PRO 31 12.876 2.018 -5.580 262 HB3 PRO 31 HB3 PRO 31 13.077 0.998 -4.151 263 HG2 PRO 31 HG2 PRO 31 12.502 0.204 -6.979 264 HG3 PRO 31 HG3 PRO 31 13.620 -0.532 -5.815 265 HD2 PRO 31 HD2 PRO 31 11.208 -1.593 -6.339 266 HD3 PRO 31 HD3 PRO 31 11.934 -1.667 -4.722 267 H GLN 32 H GLN 32 9.499 0.797 -6.737 268 HA GLN 32 HA GLN 32 9.318 3.569 -7.634 269 HB2 GLN 32 HB2 GLN 32 8.469 0.932 -8.810 270 HB3 GLN 32 HB3 GLN 32 7.831 2.439 -9.443 271 HG2 GLN 32 HG2 GLN 32 9.715 1.591 -10.750 272 HG3 GLN 32 HG3 GLN 32 10.045 3.173 -10.050 273 HE21 GLN 32 HE21 GLN 32 11.655 3.389 -8.541 274 HE22 GLN 32 HE22 GLN 32 12.775 2.128 -8.169 275 H ILE 33 H ILE 33 7.141 0.896 -6.772 276 HA ILE 33 HA ILE 33 5.253 2.902 -5.751 277 HB ILE 33 HB ILE 33 4.211 2.027 -7.702 278 HG12 ILE 33 HG12 ILE 33 3.083 0.565 -5.307 279 HG13 ILE 33 HG13 ILE 33 2.750 2.239 -5.739 280 HG21 ILE 33 HG21 ILE 33 3.871 -0.361 -8.120 281 HG22 ILE 33 HG22 ILE 33 4.826 -0.742 -6.686 282 HG23 ILE 33 HG23 ILE 33 5.582 0.063 -8.061 283 HD11 ILE 33 HD11 ILE 33 1.694 1.494 -7.806 284 HD12 ILE 33 HD12 ILE 33 0.925 0.782 -6.389 285 HD13 ILE 33 HD13 ILE 33 2.027 -0.181 -7.372 286 H THR 34 H THR 34 5.493 2.824 -3.628 287 HA THR 34 HA THR 34 6.196 0.286 -2.351 288 HB THR 34 HB THR 34 6.255 3.084 -1.205 289 HG1 THR 34 HG1 THR 34 7.989 1.702 -2.862 290 HG21 THR 34 HG21 THR 34 6.150 1.293 0.480 291 HG22 THR 34 HG22 THR 34 7.716 2.107 0.492 292 HG23 THR 34 HG23 THR 34 7.550 0.521 -0.263 293 H ILE 35 H ILE 35 4.838 -0.773 -1.072 294 HA ILE 35 HA ILE 35 2.292 0.523 -0.359 295 HB ILE 35 HB ILE 35 2.923 -2.435 -0.507 296 HG12 ILE 35 HG12 ILE 35 1.273 -0.711 -2.369 297 HG13 ILE 35 HG13 ILE 35 2.888 -1.319 -2.719 298 HG21 ILE 35 HG21 ILE 35 0.307 -1.002 -0.071 299 HG22 ILE 35 HG22 ILE 35 1.208 -1.900 1.146 300 HG23 ILE 35 HG23 ILE 35 0.513 -2.745 -0.236 301 HD11 ILE 35 HD11 ILE 35 1.207 -2.659 -3.823 302 HD12 ILE 35 HD12 ILE 35 0.420 -2.981 -2.277 303 HD13 ILE 35 HD13 ILE 35 2.038 -3.610 -2.590 304 H LEU 36 H LEU 36 2.027 1.058 1.709 305 HA LEU 36 HA LEU 36 3.672 -0.321 3.731 306 HB2 LEU 36 HB2 LEU 36 2.433 2.437 3.803 307 HB3 LEU 36 HB3 LEU 36 3.241 1.685 5.161 308 HG LEU 36 HG LEU 36 4.819 3.165 4.274 309 HD11 LEU 36 HD11 LEU 36 5.418 0.457 3.103 310 HD12 LEU 36 HD12 LEU 36 5.812 1.016 4.729 311 HD13 LEU 36 HD13 LEU 36 6.592 1.751 3.329 312 HD21 LEU 36 HD21 LEU 36 5.404 3.317 1.910 313 HD22 LEU 36 HD22 LEU 36 3.699 3.677 2.178 314 HD23 LEU 36 HD23 LEU 36 4.177 2.110 1.527 315 H GLY 37 H GLY 37 2.575 -1.734 4.959 316 HA2 GLY 37 HA2 GLY 37 -0.275 -1.150 5.477 317 HA3 GLY 37 HA3 GLY 37 0.263 -2.759 5.024 318 H ARG 38 H ARG 38 -1.078 -1.618 7.467 319 HA ARG 38 HA ARG 38 0.724 -2.886 9.409 320 HB2 ARG 38 HB2 ARG 38 -0.815 -0.313 9.785 321 HB3 ARG 38 HB3 ARG 38 -0.114 -1.223 11.113 322 HG2 ARG 38 HG2 ARG 38 1.510 -0.186 8.805 323 HG3 ARG 38 HG3 ARG 38 1.224 0.741 10.278 324 HD2 ARG 38 HD2 ARG 38 3.361 -0.376 10.430 325 HD3 ARG 38 HD3 ARG 38 2.244 -1.091 11.590 326 HE ARG 38 HE ARG 38 2.223 -2.541 9.144 327 HH11 ARG 38 HH11 ARG 38 4.281 -1.955 11.918 328 HH12 ARG 38 HH12 ARG 38 4.935 -3.564 11.939 329 HH21 ARG 38 HH21 ARG 38 3.096 -4.665 9.164 330 HH22 ARG 38 HH22 ARG 38 4.254 -5.115 10.385 331 H LEU 39 H LEU 39 -0.768 -3.010 11.594 332 HA LEU 39 HA LEU 39 -2.790 -4.914 10.839 333 HB2 LEU 39 HB2 LEU 39 -1.069 -4.852 12.890 334 HB3 LEU 39 HB3 LEU 39 -2.428 -4.072 13.672 335 HG LEU 39 HG LEU 39 -2.424 -6.437 14.183 336 HD11 LEU 39 HD11 LEU 39 -4.638 -5.754 12.252 337 HD12 LEU 39 HD12 LEU 39 -4.602 -5.376 13.974 338 HD13 LEU 39 HD13 LEU 39 -4.670 -7.055 13.443 339 HD21 LEU 39 HD21 LEU 39 -2.566 -6.884 11.204 340 HD22 LEU 39 HD22 LEU 39 -2.685 -8.133 12.444 341 HD23 LEU 39 HD23 LEU 39 -1.185 -7.229 12.244 342 H ASN 40 H ASN 40 -4.531 -3.881 9.982 343 HA ASN 40 HA ASN 40 -5.705 -1.564 11.213 344 HB2 ASN 40 HB2 ASN 40 -5.828 -1.986 8.763 345 HB3 ASN 40 HB3 ASN 40 -6.854 -3.381 9.081 346 HD21 ASN 40 HD21 ASN 40 -6.652 0.054 8.922 347 HD22 ASN 40 HD22 ASN 40 -8.349 0.370 9.125 348 H SER 41 H SER 41 -6.942 -1.630 12.968 349 HA SER 41 HA SER 41 -8.130 -4.162 13.781 350 HB2 SER 41 HB2 SER 41 -8.603 -2.797 15.911 351 HB3 SER 41 HB3 SER 41 -6.915 -3.145 15.533 352 HG SER 41 HG SER 41 -6.724 -1.053 15.726 353 H LEU 42 H LEU 42 -9.098 -1.731 11.865 354 HA LEU 42 HA LEU 42 -11.753 -1.317 12.951 355 HB2 LEU 42 HB2 LEU 42 -10.549 -0.445 10.320 356 HB3 LEU 42 HB3 LEU 42 -12.112 0.055 10.936 357 HG LEU 42 HG LEU 42 -9.453 0.691 12.222 358 HD11 LEU 42 HD11 LEU 42 -11.353 2.437 10.666 359 HD12 LEU 42 HD12 LEU 42 -9.770 1.884 10.123 360 HD13 LEU 42 HD13 LEU 42 -9.897 2.983 11.497 361 HD21 LEU 42 HD21 LEU 42 -10.748 2.160 13.677 362 HD22 LEU 42 HD22 LEU 42 -11.277 0.486 13.848 363 HD23 LEU 42 HD23 LEU 42 -12.240 1.624 12.907 364 H GLY 43 H GLY 43 -10.182 -3.187 10.443 365 HA2 GLY 43 HA2 GLY 43 -10.947 -5.153 9.469 366 HA3 GLY 43 HA3 GLY 43 -12.492 -4.921 10.276 367 H HIS 44 H HIS 44 -11.453 -2.162 8.637 368 HA HIS 44 HA HIS 44 -12.704 -2.879 6.117 369 HB2 HIS 44 HB2 HIS 44 -14.531 -2.111 7.724 370 HB3 HIS 44 HB3 HIS 44 -13.779 -0.522 7.668 371 HD1 HIS 44 HD1 HIS 44 -14.861 0.974 6.032 372 HD2 HIS 44 HD2 HIS 44 -15.146 -3.007 4.893 373 HE1 HIS 44 HE1 HIS 44 -16.180 0.980 3.892 374 HE2 HIS 44 HE2 HIS 44 -16.532 -1.461 3.357 375 HA PRO 45 HA PRO 45 -9.251 -0.085 5.456 376 HB2 PRO 45 HB2 PRO 45 -8.417 -1.135 3.144 377 HB3 PRO 45 HB3 PRO 45 -8.169 -1.968 4.683 378 HG2 PRO 45 HG2 PRO 45 -10.181 -2.491 2.548 379 HG3 PRO 45 HG3 PRO 45 -9.304 -3.640 3.571 380 HD2 PRO 45 HD2 PRO 45 -11.918 -2.763 3.988 381 HD3 PRO 45 HD3 PRO 45 -10.886 -3.548 5.198 382 H ARG 46 H ARG 46 -8.748 1.607 4.043 383 HA ARG 46 HA ARG 46 -10.563 2.066 1.775 384 HB2 ARG 46 HB2 ARG 46 -9.459 4.214 3.607 385 HB3 ARG 46 HB3 ARG 46 -10.458 4.484 2.189 386 HG2 ARG 46 HG2 ARG 46 -12.269 3.186 3.326 387 HG3 ARG 46 HG3 ARG 46 -11.262 3.185 4.776 388 HD2 ARG 46 HD2 ARG 46 -12.767 5.004 5.002 389 HD3 ARG 46 HD3 ARG 46 -11.195 5.693 4.601 390 HE ARG 46 HE ARG 46 -13.267 5.282 2.541 391 HH11 ARG 46 HH11 ARG 46 -10.926 7.343 4.156 392 HH12 ARG 46 HH12 ARG 46 -11.260 8.705 3.131 393 HH21 ARG 46 HH21 ARG 46 -13.685 7.066 1.211 394 HH22 ARG 46 HH22 ARG 46 -12.824 8.563 1.469 395 H ILE 47 H ILE 47 -9.294 1.694 0.055 396 HA ILE 47 HA ILE 47 -6.440 2.014 0.301 397 HB ILE 47 HB ILE 47 -7.570 0.055 -0.831 398 HG12 ILE 47 HG12 ILE 47 -5.124 0.735 -1.070 399 HG13 ILE 47 HG13 ILE 47 -5.773 -0.338 -2.299 400 HG21 ILE 47 HG21 ILE 47 -9.217 1.241 -2.147 401 HG22 ILE 47 HG22 ILE 47 -8.173 0.276 -3.189 402 HG23 ILE 47 HG23 ILE 47 -7.940 2.020 -3.084 403 HD11 ILE 47 HD11 ILE 47 -5.335 2.625 -2.586 404 HD12 ILE 47 HD12 ILE 47 -5.993 1.556 -3.825 405 HD13 ILE 47 HD13 ILE 47 -4.332 1.346 -3.271 406 H GLY 48 H GLY 48 -5.331 3.728 -0.248 407 HA2 GLY 48 HA2 GLY 48 -6.399 5.536 -2.303 408 HA3 GLY 48 HA3 GLY 48 -5.878 6.182 -0.751 409 H LEU 49 H LEU 49 -4.817 6.870 -3.317 410 HA LEU 49 HA LEU 49 -2.148 5.641 -3.246 411 HB2 LEU 49 HB2 LEU 49 -3.288 5.470 -5.390 412 HB3 LEU 49 HB3 LEU 49 -3.546 7.203 -5.420 413 HG LEU 49 HG LEU 49 -1.064 7.506 -5.502 414 HD11 LEU 49 HD11 LEU 49 0.323 5.605 -6.113 415 HD12 LEU 49 HD12 LEU 49 -1.066 4.528 -5.962 416 HD13 LEU 49 HD13 LEU 49 -0.430 5.353 -4.540 417 HD21 LEU 49 HD21 LEU 49 -2.296 5.887 -7.728 418 HD22 LEU 49 HD22 LEU 49 -0.865 6.911 -7.861 419 HD23 LEU 49 HD23 LEU 49 -2.436 7.631 -7.511 420 H THR 50 H THR 50 -0.655 6.775 -2.220 421 HA THR 50 HA THR 50 -0.965 9.665 -1.939 422 HB THR 50 HB THR 50 1.327 8.087 -0.801 423 HG1 THR 50 HG1 THR 50 -0.313 6.939 0.068 424 HG21 THR 50 HG21 THR 50 1.210 9.790 0.956 425 HG22 THR 50 HG22 THR 50 -0.176 10.525 0.152 426 HG23 THR 50 HG23 THR 50 1.399 10.524 -0.638 427 H VAL 51 H VAL 51 -0.455 10.470 -3.932 428 HA VAL 51 HA VAL 51 2.386 10.324 -4.610 429 HB VAL 51 HB VAL 51 1.272 8.824 -6.184 430 HG11 VAL 51 HG11 VAL 51 -0.403 11.195 -6.992 431 HG12 VAL 51 HG12 VAL 51 -0.972 9.774 -6.115 432 HG13 VAL 51 HG13 VAL 51 -0.392 9.612 -7.773 433 HG21 VAL 51 HG21 VAL 51 3.174 10.083 -6.992 434 HG22 VAL 51 HG22 VAL 51 2.119 11.419 -7.458 435 HG23 VAL 51 HG23 VAL 51 1.994 9.865 -8.284 436 H ALA 52 H ALA 52 3.257 12.295 -4.896 437 HA ALA 52 HA ALA 52 1.552 14.592 -4.558 438 HB1 ALA 52 HB1 ALA 52 3.612 15.870 -4.472 439 HB2 ALA 52 HB2 ALA 52 4.528 14.464 -5.018 440 HB3 ALA 52 HB3 ALA 52 3.732 14.440 -3.443 441 H LYS 53 H LYS 53 1.887 16.526 -6.005 442 HA LYS 53 HA LYS 53 0.739 15.886 -8.456 443 HB2 LYS 53 HB2 LYS 53 2.095 18.420 -7.547 444 HB3 LYS 53 HB3 LYS 53 1.257 18.284 -9.082 445 HG2 LYS 53 HG2 LYS 53 -0.251 19.313 -7.614 446 HG3 LYS 53 HG3 LYS 53 -0.798 17.644 -7.756 447 HD2 LYS 53 HD2 LYS 53 0.045 17.084 -5.622 448 HD3 LYS 53 HD3 LYS 53 0.993 18.568 -5.522 449 HE2 LYS 53 HE2 LYS 53 -2.019 18.423 -5.555 450 HE3 LYS 53 HE3 LYS 53 -1.030 18.631 -4.110 451 HZ1 LYS 53 HZ1 LYS 53 -1.795 20.761 -4.801 452 HZ2 LYS 53 HZ2 LYS 53 -1.283 20.510 -6.396 453 HZ3 LYS 53 HZ3 LYS 53 -0.136 20.685 -5.160 454 H LYS 54 H LYS 54 4.101 16.642 -7.692 455 HA LYS 54 HA LYS 54 4.748 16.428 -10.538 456 HB2 LYS 54 HB2 LYS 54 6.894 17.547 -9.879 457 HB3 LYS 54 HB3 LYS 54 5.446 18.513 -9.641 458 HG2 LYS 54 HG2 LYS 54 5.488 17.836 -7.237 459 HG3 LYS 54 HG3 LYS 54 7.052 17.081 -7.542 460 HD2 LYS 54 HD2 LYS 54 6.415 19.991 -8.029 461 HD3 LYS 54 HD3 LYS 54 7.244 19.366 -6.603 462 HE2 LYS 54 HE2 LYS 54 8.235 18.961 -9.418 463 HE3 LYS 54 HE3 LYS 54 8.734 20.308 -8.396 464 HZ1 LYS 54 HZ1 LYS 54 9.118 17.426 -7.771 465 HZ2 LYS 54 HZ2 LYS 54 9.589 18.726 -6.786 466 HZ3 LYS 54 HZ3 LYS 54 10.324 18.499 -8.298 467 H ASN 55 H ASN 55 4.483 14.228 -8.327 468 HA ASN 55 HA ASN 55 7.102 13.014 -8.460 469 HB2 ASN 55 HB2 ASN 55 4.441 11.962 -7.488 470 HB3 ASN 55 HB3 ASN 55 5.895 10.974 -7.536 471 HD21 ASN 55 HD21 ASN 55 7.521 13.411 -6.859 472 HD22 ASN 55 HD22 ASN 55 7.302 13.615 -5.157 473 H VAL 56 H VAL 56 4.246 13.097 -10.346 474 HA VAL 56 HA VAL 56 4.960 10.712 -11.858 475 HB VAL 56 HB VAL 56 2.697 12.585 -12.527 476 HG11 VAL 56 HG11 VAL 56 3.227 10.893 -14.174 477 HG12 VAL 56 HG12 VAL 56 1.682 10.526 -13.406 478 HG13 VAL 56 HG13 VAL 56 3.132 9.633 -12.945 479 HG21 VAL 56 HG21 VAL 56 1.229 11.232 -11.113 480 HG22 VAL 56 HG22 VAL 56 2.472 12.042 -10.159 481 HG23 VAL 56 HG23 VAL 56 2.624 10.323 -10.531 482 H ARG 57 H ARG 57 5.795 10.748 -13.900 483 HA ARG 57 HA ARG 57 7.102 13.175 -14.714 484 HB2 ARG 57 HB2 ARG 57 8.065 10.828 -14.893 485 HB3 ARG 57 HB3 ARG 57 6.971 10.576 -16.246 486 HG2 ARG 57 HG2 ARG 57 8.025 12.386 -17.464 487 HG3 ARG 57 HG3 ARG 57 9.093 12.706 -16.095 488 HD2 ARG 57 HD2 ARG 57 9.917 10.348 -16.313 489 HD3 ARG 57 HD3 ARG 57 8.994 10.232 -17.809 490 HE ARG 57 HE ARG 57 10.730 12.486 -17.820 491 HH11 ARG 57 HH11 ARG 57 10.682 9.004 -18.265 492 HH12 ARG 57 HH12 ARG 57 12.090 9.000 -19.277 493 HH21 ARG 57 HH21 ARG 57 12.577 12.468 -19.143 494 HH22 ARG 57 HH22 ARG 57 13.166 10.957 -19.778 495 H ARG 58 H ARG 58 4.458 11.170 -15.887 496 HA ARG 58 HA ARG 58 3.671 13.363 -17.683 497 HB2 ARG 58 HB2 ARG 58 3.043 10.409 -17.870 498 HB3 ARG 58 HB3 ARG 58 2.325 11.640 -18.899 499 HG2 ARG 58 HG2 ARG 58 5.280 11.096 -18.729 500 HG3 ARG 58 HG3 ARG 58 4.210 10.382 -19.933 501 HD2 ARG 58 HD2 ARG 58 5.283 12.258 -20.941 502 HD3 ARG 58 HD3 ARG 58 3.604 12.704 -20.650 503 HE ARG 58 HE ARG 58 5.264 13.506 -18.484 504 HH11 ARG 58 HH11 ARG 58 4.417 14.367 -21.780 505 HH12 ARG 58 HH12 ARG 58 4.783 16.054 -21.560 506 HH21 ARG 58 HH21 ARG 58 5.715 15.710 -18.190 507 HH22 ARG 58 HH22 ARG 58 5.516 16.817 -19.516 508 H ALA 59 H ALA 59 2.025 14.498 -16.968 509 HA ALA 59 HA ALA 59 1.048 14.345 -14.454 510 HB1 ALA 59 HB1 ALA 59 -0.477 15.490 -16.780 511 HB2 ALA 59 HB2 ALA 59 0.854 16.290 -15.944 512 HB3 ALA 59 HB3 ALA 59 -0.642 15.935 -15.082 513 H HIS 60 H HIS 60 -0.836 13.232 -17.295 514 HA HIS 60 HA HIS 60 -3.087 12.544 -15.739 515 HB2 HIS 60 HB2 HIS 60 -3.945 11.435 -17.778 516 HB3 HIS 60 HB3 HIS 60 -3.366 13.068 -18.069 517 HD1 HIS 60 HD1 HIS 60 -2.573 9.466 -18.829 518 HD2 HIS 60 HD2 HIS 60 -1.216 13.277 -19.809 519 HE1 HIS 60 HE1 HIS 60 -0.991 9.154 -20.761 520 HE2 HIS 60 HE2 HIS 60 -0.092 11.458 -21.250 521 H GLU 61 H GLU 61 -0.185 10.868 -15.880 522 HA GLU 61 HA GLU 61 -1.244 8.214 -16.031 523 HB2 GLU 61 HB2 GLU 61 1.469 9.297 -15.330 524 HB3 GLU 61 HB3 GLU 61 1.095 7.584 -15.195 525 HG2 GLU 61 HG2 GLU 61 0.965 9.252 -17.697 526 HG3 GLU 61 HG3 GLU 61 2.183 8.043 -17.301 527 H ARG 62 H ARG 62 -1.306 10.452 -13.506 528 HA ARG 62 HA ARG 62 -0.967 8.621 -11.346 529 HB2 ARG 62 HB2 ARG 62 -1.797 10.275 -9.883 530 HB3 ARG 62 HB3 ARG 62 -0.944 11.165 -11.133 531 HG2 ARG 62 HG2 ARG 62 -3.908 10.744 -11.277 532 HG3 ARG 62 HG3 ARG 62 -3.209 12.052 -10.321 533 HD2 ARG 62 HD2 ARG 62 -2.136 12.963 -12.271 534 HD3 ARG 62 HD3 ARG 62 -2.666 11.595 -13.245 535 HE ARG 62 HE ARG 62 -5.009 12.480 -12.601 536 HH11 ARG 62 HH11 ARG 62 -2.177 14.472 -13.126 537 HH12 ARG 62 HH12 ARG 62 -3.063 15.791 -13.835 538 HH21 ARG 62 HH21 ARG 62 -6.200 14.234 -13.502 539 HH22 ARG 62 HH22 ARG 62 -5.358 15.648 -14.042 540 H ASN 63 H ASN 63 -3.554 9.352 -13.520 541 HA ASN 63 HA ASN 63 -5.609 8.066 -11.976 542 HB2 ASN 63 HB2 ASN 63 -5.478 8.967 -14.859 543 HB3 ASN 63 HB3 ASN 63 -6.890 8.174 -14.171 544 HD21 ASN 63 HD21 ASN 63 -8.157 10.007 -14.564 545 HD22 ASN 63 HD22 ASN 63 -8.019 11.432 -13.588 546 H ARG 64 H ARG 64 -3.136 7.094 -14.122 547 HA ARG 64 HA ARG 64 -4.189 4.557 -14.880 548 HB2 ARG 64 HB2 ARG 64 -2.332 5.721 -16.069 549 HB3 ARG 64 HB3 ARG 64 -1.306 5.464 -14.667 550 HG2 ARG 64 HG2 ARG 64 -0.629 3.663 -15.819 551 HG3 ARG 64 HG3 ARG 64 -2.092 2.933 -15.157 552 HD2 ARG 64 HD2 ARG 64 -1.977 2.508 -17.531 553 HD3 ARG 64 HD3 ARG 64 -3.314 3.607 -17.189 554 HE ARG 64 HE ARG 64 -1.082 5.175 -17.767 555 HH11 ARG 64 HH11 ARG 64 -3.099 2.843 -19.439 556 HH12 ARG 64 HH12 ARG 64 -2.846 3.556 -21.003 557 HH21 ARG 64 HH21 ARG 64 -0.791 6.136 -19.786 558 HH22 ARG 64 HH22 ARG 64 -1.527 5.434 -21.197 559 H ILE 65 H ILE 65 -1.873 5.648 -12.442 560 HA ILE 65 HA ILE 65 -1.340 3.098 -11.356 561 HB ILE 65 HB ILE 65 -0.968 5.795 -10.048 562 HG12 ILE 65 HG12 ILE 65 0.155 5.708 -12.216 563 HG13 ILE 65 HG13 ILE 65 1.336 5.678 -10.912 564 HG21 ILE 65 HG21 ILE 65 0.760 4.692 -8.722 565 HG22 ILE 65 HG22 ILE 65 0.374 3.152 -9.494 566 HG23 ILE 65 HG23 ILE 65 -0.818 3.948 -8.465 567 HD11 ILE 65 HD11 ILE 65 1.617 3.284 -11.207 568 HD12 ILE 65 HD12 ILE 65 1.919 4.151 -12.716 569 HD13 ILE 65 HD13 ILE 65 0.397 3.289 -12.482 570 H LYS 66 H LYS 66 -3.577 5.682 -10.353 571 HA LYS 66 HA LYS 66 -4.256 4.400 -7.907 572 HB2 LYS 66 HB2 LYS 66 -5.883 6.103 -7.596 573 HB3 LYS 66 HB3 LYS 66 -4.496 6.859 -8.363 574 HG2 LYS 66 HG2 LYS 66 -5.682 6.674 -10.541 575 HG3 LYS 66 HG3 LYS 66 -7.097 6.088 -9.659 576 HD2 LYS 66 HD2 LYS 66 -5.745 8.753 -9.203 577 HD3 LYS 66 HD3 LYS 66 -7.216 8.509 -10.147 578 HE2 LYS 66 HE2 LYS 66 -8.344 7.639 -8.158 579 HE3 LYS 66 HE3 LYS 66 -6.872 7.872 -7.218 580 HZ1 LYS 66 HZ1 LYS 66 -7.037 10.227 -7.504 581 HZ2 LYS 66 HZ2 LYS 66 -8.531 9.661 -6.942 582 HZ3 LYS 66 HZ3 LYS 66 -8.341 10.067 -8.577 583 H ARG 67 H ARG 67 -5.524 4.170 -11.167 584 HA ARG 67 HA ARG 67 -7.914 2.797 -10.361 585 HB2 ARG 67 HB2 ARG 67 -6.601 3.349 -12.987 586 HB3 ARG 67 HB3 ARG 67 -7.829 2.094 -12.893 587 HG2 ARG 67 HG2 ARG 67 -9.288 3.899 -11.784 588 HG3 ARG 67 HG3 ARG 67 -8.107 5.039 -12.437 589 HD2 ARG 67 HD2 ARG 67 -10.030 4.726 -13.940 590 HD3 ARG 67 HD3 ARG 67 -8.511 4.218 -14.682 591 HE ARG 67 HE ARG 67 -9.383 1.900 -13.704 592 HH11 ARG 67 HH11 ARG 67 -11.098 4.373 -15.509 593 HH12 ARG 67 HH12 ARG 67 -12.223 3.246 -16.210 594 HH21 ARG 67 HH21 ARG 67 -10.847 0.432 -14.632 595 HH22 ARG 67 HH22 ARG 67 -12.081 1.001 -15.713 596 H LEU 68 H LEU 68 -4.683 1.881 -11.312 597 HA LEU 68 HA LEU 68 -5.177 -0.881 -11.690 598 HB2 LEU 68 HB2 LEU 68 -3.169 0.469 -12.455 599 HB3 LEU 68 HB3 LEU 68 -2.594 0.409 -10.804 600 HG LEU 68 HG LEU 68 -1.566 -1.240 -12.437 601 HD11 LEU 68 HD11 LEU 68 -2.860 -2.333 -9.946 602 HD12 LEU 68 HD12 LEU 68 -1.308 -1.501 -10.044 603 HD13 LEU 68 HD13 LEU 68 -1.515 -3.071 -10.817 604 HD21 LEU 68 HD21 LEU 68 -2.832 -3.298 -12.857 605 HD22 LEU 68 HD22 LEU 68 -3.586 -1.893 -13.611 606 HD23 LEU 68 HD23 LEU 68 -4.258 -2.563 -12.123 607 H THR 69 H THR 69 -4.136 1.041 -8.923 608 HA THR 69 HA THR 69 -3.795 -1.236 -7.227 609 HB THR 69 HB THR 69 -3.569 0.572 -5.430 610 HG1 THR 69 HG1 THR 69 -3.169 2.394 -7.521 611 HG21 THR 69 HG21 THR 69 -1.336 1.218 -6.229 612 HG22 THR 69 HG22 THR 69 -1.749 0.635 -7.841 613 HG23 THR 69 HG23 THR 69 -1.646 -0.497 -6.493 614 H ARG 70 H ARG 70 -6.115 1.486 -7.222 615 HA ARG 70 HA ARG 70 -7.416 0.603 -4.881 616 HB2 ARG 70 HB2 ARG 70 -8.413 2.526 -6.986 617 HB3 ARG 70 HB3 ARG 70 -9.089 2.331 -5.374 618 HG2 ARG 70 HG2 ARG 70 -6.946 3.052 -4.404 619 HG3 ARG 70 HG3 ARG 70 -6.306 3.289 -6.030 620 HD2 ARG 70 HD2 ARG 70 -6.980 5.418 -5.274 621 HD3 ARG 70 HD3 ARG 70 -8.219 4.891 -6.410 622 HE ARG 70 HE ARG 70 -8.517 4.792 -3.470 623 HH11 ARG 70 HH11 ARG 70 -9.847 5.190 -6.681 624 HH12 ARG 70 HH12 ARG 70 -11.431 5.626 -6.127 625 HH21 ARG 70 HH21 ARG 70 -10.591 5.387 -2.714 626 HH22 ARG 70 HH22 ARG 70 -11.864 5.711 -3.856 627 H GLU 71 H GLU 71 -7.863 -0.309 -8.192 628 HA GLU 71 HA GLU 71 -10.557 -1.261 -7.810 629 HB2 GLU 71 HB2 GLU 71 -9.689 -0.511 -10.030 630 HB3 GLU 71 HB3 GLU 71 -8.630 -1.914 -10.046 631 HG2 GLU 71 HG2 GLU 71 -10.639 -3.365 -9.922 632 HG3 GLU 71 HG3 GLU 71 -11.638 -1.920 -10.071 633 H SER 72 H SER 72 -7.336 -2.682 -7.985 634 HA SER 72 HA SER 72 -8.079 -5.372 -8.036 635 HB2 SER 72 HB2 SER 72 -5.552 -4.109 -6.952 636 HB3 SER 72 HB3 SER 72 -5.751 -5.814 -7.356 637 HG SER 72 HG SER 72 -5.416 -3.621 -9.019 638 H PHE 73 H PHE 73 -7.644 -3.172 -5.335 639 HA PHE 73 HA PHE 73 -7.554 -5.098 -3.284 640 HB2 PHE 73 HB2 PHE 73 -8.156 -2.173 -3.381 641 HB3 PHE 73 HB3 PHE 73 -8.482 -3.066 -1.899 642 HD1 PHE 73 HD2 PHE 73 -5.775 -2.433 -4.377 643 HD2 PHE 73 HD1 PHE 73 -6.790 -3.374 -0.353 644 HE1 PHE 73 HE2 PHE 73 -3.409 -2.227 -3.738 645 HE2 PHE 73 HE1 PHE 73 -4.425 -3.171 0.294 646 HZ PHE 73 HZ PHE 73 -2.730 -2.599 -1.398 647 H ARG 74 H ARG 74 -10.213 -3.867 -5.140 648 HA ARG 74 HA ARG 74 -12.103 -5.117 -3.258 649 HB2 ARG 74 HB2 ARG 74 -12.681 -3.204 -5.531 650 HB3 ARG 74 HB3 ARG 74 -13.863 -3.846 -4.400 651 HG2 ARG 74 HG2 ARG 74 -12.553 -2.735 -2.565 652 HG3 ARG 74 HG3 ARG 74 -11.616 -1.935 -3.829 653 HD2 ARG 74 HD2 ARG 74 -13.346 -0.436 -3.159 654 HD3 ARG 74 HD3 ARG 74 -13.770 -1.061 -4.753 655 HE ARG 74 HE ARG 74 -14.951 -2.116 -2.259 656 HH11 ARG 74 HH11 ARG 74 -15.274 -0.977 -5.564 657 HH12 ARG 74 HH12 ARG 74 -16.977 -1.336 -5.641 658 HH21 ARG 74 HH21 ARG 74 -17.165 -2.555 -2.348 659 HH22 ARG 74 HH22 ARG 74 -18.066 -2.213 -3.802 660 H LEU 75 H LEU 75 -10.305 -6.218 -5.497 661 HA LEU 75 HA LEU 75 -12.408 -7.659 -6.982 662 HB2 LEU 75 HB2 LEU 75 -10.738 -6.159 -8.229 663 HB3 LEU 75 HB3 LEU 75 -9.529 -7.358 -7.826 664 HG LEU 75 HG LEU 75 -12.017 -7.998 -9.414 665 HD11 LEU 75 HD11 LEU 75 -9.260 -7.254 -10.381 666 HD12 LEU 75 HD12 LEU 75 -10.751 -6.346 -10.632 667 HD13 LEU 75 HD13 LEU 75 -10.542 -7.924 -11.391 668 HD21 LEU 75 HD21 LEU 75 -10.775 -9.975 -10.094 669 HD22 LEU 75 HD22 LEU 75 -10.921 -9.915 -8.340 670 HD23 LEU 75 HD23 LEU 75 -9.401 -9.472 -9.113 671 H ARG 76 H ARG 76 -9.177 -7.962 -5.566 672 HA ARG 76 HA ARG 76 -9.472 -10.879 -5.435 673 HB2 ARG 76 HB2 ARG 76 -7.407 -9.683 -6.371 674 HB3 ARG 76 HB3 ARG 76 -7.052 -9.216 -4.718 675 HG2 ARG 76 HG2 ARG 76 -5.743 -11.076 -4.966 676 HG3 ARG 76 HG3 ARG 76 -7.194 -11.764 -4.242 677 HD2 ARG 76 HD2 ARG 76 -6.626 -11.710 -7.203 678 HD3 ARG 76 HD3 ARG 76 -6.268 -13.075 -6.150 679 HE ARG 76 HE ARG 76 -9.019 -12.073 -6.484 680 HH11 ARG 76 HH11 ARG 76 -6.680 -14.678 -6.475 681 HH12 ARG 76 HH12 ARG 76 -7.855 -15.901 -6.841 682 HH21 ARG 76 HH21 ARG 76 -10.583 -13.704 -6.951 683 HH22 ARG 76 HH22 ARG 76 -10.058 -15.361 -7.102 684 H GLN 77 H GLN 77 -11.157 -9.472 -3.742 685 HA GLN 77 HA GLN 77 -9.922 -8.633 -1.322 686 HB2 GLN 77 HB2 GLN 77 -12.094 -8.065 -0.552 687 HB3 GLN 77 HB3 GLN 77 -12.037 -7.677 -2.263 688 HG2 GLN 77 HG2 GLN 77 -13.237 -10.209 -1.167 689 HG3 GLN 77 HG3 GLN 77 -14.155 -8.738 -1.462 690 HE21 GLN 77 HE21 GLN 77 -14.606 -8.122 -3.550 691 HE22 GLN 77 HE22 GLN 77 -14.377 -9.182 -4.910 692 H HIS 78 H HIS 78 -10.860 -11.750 -2.370 693 HA HIS 78 HA HIS 78 -11.572 -12.733 0.258 694 HB2 HIS 78 HB2 HIS 78 -10.872 -14.303 -2.229 695 HB3 HIS 78 HB3 HIS 78 -11.592 -14.956 -0.766 696 HD1 HIS 78 HD1 HIS 78 -12.844 -15.106 -3.649 697 HD2 HIS 78 HD2 HIS 78 -13.899 -12.410 -0.665 698 HE1 HIS 78 HE1 HIS 78 -15.179 -14.357 -4.211 699 HE2 HIS 78 HE2 HIS 78 -15.699 -12.559 -2.521 700 H GLU 79 H GLU 79 -8.699 -12.318 -1.580 701 HA GLU 79 HA GLU 79 -7.308 -14.532 -0.332 702 HB2 GLU 79 HB2 GLU 79 -6.136 -12.505 -2.223 703 HB3 GLU 79 HB3 GLU 79 -5.595 -14.150 -1.925 704 HG2 GLU 79 HG2 GLU 79 -8.206 -13.419 -3.228 705 HG3 GLU 79 HG3 GLU 79 -6.734 -13.844 -4.095 706 H LEU 80 H LEU 80 -7.602 -11.117 0.134 707 HA LEU 80 HA LEU 80 -5.251 -11.199 1.905 708 HB2 LEU 80 HB2 LEU 80 -4.680 -9.006 1.401 709 HB3 LEU 80 HB3 LEU 80 -5.162 -9.652 -0.152 710 HG LEU 80 HG LEU 80 -6.989 -7.982 1.584 711 HD11 LEU 80 HD11 LEU 80 -6.458 -6.122 0.096 712 HD12 LEU 80 HD12 LEU 80 -5.257 -7.117 -0.727 713 HD13 LEU 80 HD13 LEU 80 -5.025 -6.677 0.965 714 HD21 LEU 80 HD21 LEU 80 -7.107 -8.762 -1.326 715 HD22 LEU 80 HD22 LEU 80 -8.227 -7.674 -0.510 716 HD23 LEU 80 HD23 LEU 80 -8.148 -9.371 -0.039 717 HA PRO 81 HA PRO 81 -7.953 -10.110 5.255 718 HB2 PRO 81 HB2 PRO 81 -5.799 -8.556 6.472 719 HB3 PRO 81 HB3 PRO 81 -6.523 -10.069 7.017 720 HG2 PRO 81 HG2 PRO 81 -4.000 -9.917 6.044 721 HG3 PRO 81 HG3 PRO 81 -5.015 -11.359 5.866 722 HD2 PRO 81 HD2 PRO 81 -4.396 -9.215 3.876 723 HD3 PRO 81 HD3 PRO 81 -4.538 -10.970 3.636 724 H ALA 82 H ALA 82 -9.156 -8.365 6.036 725 HA ALA 82 HA ALA 82 -9.181 -6.029 4.379 726 HB1 ALA 82 HB1 ALA 82 -11.105 -5.343 5.687 727 HB2 ALA 82 HB2 ALA 82 -10.782 -6.615 6.866 728 HB3 ALA 82 HB3 ALA 82 -11.253 -7.038 5.219 729 H MET 83 H MET 83 -7.031 -5.306 4.834 730 HA MET 83 HA MET 83 -6.944 -3.598 7.230 731 HB2 MET 83 HB2 MET 83 -4.614 -5.126 6.039 732 HB3 MET 83 HB3 MET 83 -4.505 -3.975 7.363 733 HG2 MET 83 HG2 MET 83 -5.874 -5.403 8.756 734 HG3 MET 83 HG3 MET 83 -6.071 -6.541 7.425 735 HE1 MET 83 HE1 MET 83 -5.107 -7.430 10.301 736 HE2 MET 83 HE2 MET 83 -3.775 -8.517 9.900 737 HE3 MET 83 HE3 MET 83 -5.262 -8.552 8.949 738 H ASP 84 H ASP 84 -5.693 -1.623 6.928 739 HA ASP 84 HA ASP 84 -6.034 -0.713 4.199 740 HB2 ASP 84 HB2 ASP 84 -5.682 1.548 5.093 741 HB3 ASP 84 HB3 ASP 84 -6.956 0.693 5.951 742 H PHE 85 H PHE 85 -4.457 -1.202 2.905 743 HA PHE 85 HA PHE 85 -1.686 -0.780 3.755 744 HB2 PHE 85 HB2 PHE 85 -2.748 -2.110 1.243 745 HB3 PHE 85 HB3 PHE 85 -1.064 -2.052 1.755 746 HD1 PHE 85 HD1 PHE 85 -0.360 -3.308 3.785 747 HD2 PHE 85 HD2 PHE 85 -4.239 -3.735 2.090 748 HE1 PHE 85 HE1 PHE 85 -0.671 -5.403 5.035 749 HE2 PHE 85 HE2 PHE 85 -4.558 -5.829 3.339 750 HZ PHE 85 HZ PHE 85 -2.773 -6.666 4.815 751 H VAL 86 H VAL 86 -1.272 1.349 3.548 752 HA VAL 86 HA VAL 86 -2.462 2.915 1.466 753 HB VAL 86 HB VAL 86 -2.049 3.962 3.615 754 HG11 VAL 86 HG11 VAL 86 0.215 4.467 4.399 755 HG12 VAL 86 HG12 VAL 86 0.883 3.518 3.069 756 HG13 VAL 86 HG13 VAL 86 -0.080 2.729 4.319 757 HG21 VAL 86 HG21 VAL 86 -0.902 5.999 2.861 758 HG22 VAL 86 HG22 VAL 86 -2.052 5.399 1.666 759 HG23 VAL 86 HG23 VAL 86 -0.324 5.132 1.438 760 H VAL 87 H VAL 87 -1.741 3.246 -0.497 761 HA VAL 87 HA VAL 87 0.864 2.159 -1.233 762 HB VAL 87 HB VAL 87 -1.364 3.161 -3.022 763 HG11 VAL 87 HG11 VAL 87 -0.173 1.981 -4.801 764 HG12 VAL 87 HG12 VAL 87 1.098 1.536 -3.660 765 HG13 VAL 87 HG13 VAL 87 0.840 3.231 -4.075 766 HG21 VAL 87 HG21 VAL 87 -1.850 0.784 -3.417 767 HG22 VAL 87 HG22 VAL 87 -2.091 1.232 -1.729 768 HG23 VAL 87 HG23 VAL 87 -0.644 0.344 -2.208 769 H VAL 88 H VAL 88 2.553 3.459 -1.428 770 HA VAL 88 HA VAL 88 2.067 6.315 -1.986 771 HB VAL 88 HB VAL 88 4.455 5.089 -0.589 772 HG11 VAL 88 HG11 VAL 88 3.697 7.977 -1.032 773 HG12 VAL 88 HG12 VAL 88 5.018 7.115 -1.817 774 HG13 VAL 88 HG13 VAL 88 5.066 7.408 -0.079 775 HG21 VAL 88 HG21 VAL 88 3.582 6.139 1.442 776 HG22 VAL 88 HG22 VAL 88 2.450 4.953 0.793 777 HG23 VAL 88 HG23 VAL 88 2.156 6.675 0.552 778 H ALA 89 H ALA 89 2.685 6.977 -3.921 779 HA ALA 89 HA ALA 89 4.335 5.199 -5.546 780 HB1 ALA 89 HB1 ALA 89 2.764 7.647 -6.355 781 HB2 ALA 89 HB2 ALA 89 2.200 5.981 -6.476 782 HB3 ALA 89 HB3 ALA 89 3.573 6.519 -7.442 783 H LYS 90 H LYS 90 6.390 5.610 -5.995 784 HA LYS 90 HA LYS 90 7.562 8.143 -5.139 785 HB2 LYS 90 HB2 LYS 90 8.903 5.677 -6.268 786 HB3 LYS 90 HB3 LYS 90 9.708 7.049 -5.528 787 HG2 LYS 90 HG2 LYS 90 7.758 5.333 -4.026 788 HG3 LYS 90 HG3 LYS 90 9.475 4.947 -4.134 789 HD2 LYS 90 HD2 LYS 90 9.385 6.119 -2.150 790 HD3 LYS 90 HD3 LYS 90 9.795 7.393 -3.295 791 HE2 LYS 90 HE2 LYS 90 7.484 8.107 -3.378 792 HE3 LYS 90 HE3 LYS 90 7.003 6.772 -2.336 793 HZ1 LYS 90 HZ1 LYS 90 8.464 7.729 -0.607 794 HZ2 LYS 90 HZ2 LYS 90 7.177 8.745 -1.026 795 HZ3 LYS 90 HZ3 LYS 90 8.735 9.075 -1.604 796 H LYS 91 H LYS 91 8.959 9.345 -6.605 797 HA LYS 91 HA LYS 91 7.755 9.743 -9.126 798 HB2 LYS 91 HB2 LYS 91 9.577 11.323 -9.560 799 HB3 LYS 91 HB3 LYS 91 8.887 11.560 -7.962 800 HG2 LYS 91 HG2 LYS 91 10.776 10.373 -6.967 801 HG3 LYS 91 HG3 LYS 91 11.468 10.129 -8.573 802 HD2 LYS 91 HD2 LYS 91 10.928 12.798 -7.273 803 HD3 LYS 91 HD3 LYS 91 12.505 12.021 -7.405 804 HE2 LYS 91 HE2 LYS 91 10.784 12.809 -9.753 805 HE3 LYS 91 HE3 LYS 91 12.101 13.786 -9.109 806 HZ1 LYS 91 HZ1 LYS 91 13.644 12.011 -9.629 807 HZ2 LYS 91 HZ2 LYS 91 12.792 12.470 -11.025 808 HZ3 LYS 91 HZ3 LYS 91 12.384 11.038 -10.214 809 H GLY 92 H GLY 92 8.264 9.041 -11.126 810 HA2 GLY 92 HA2 GLY 92 9.835 8.124 -12.724 811 HA3 GLY 92 HA3 GLY 92 10.617 7.284 -11.394 812 H VAL 93 H VAL 93 7.594 6.840 -10.562 813 HA VAL 93 HA VAL 93 7.424 4.164 -11.413 814 HB VAL 93 HB VAL 93 6.306 5.072 -9.386 815 HG11 VAL 93 HG11 VAL 93 5.457 7.153 -10.287 816 HG12 VAL 93 HG12 VAL 93 4.142 6.201 -9.600 817 HG13 VAL 93 HG13 VAL 93 4.360 6.271 -11.348 818 HG21 VAL 93 HG21 VAL 93 5.634 2.906 -10.239 819 HG22 VAL 93 HG22 VAL 93 4.475 3.667 -11.329 820 HG23 VAL 93 HG23 VAL 93 4.238 3.761 -9.583 821 H ALA 94 H ALA 94 6.479 7.106 -12.929 822 HA ALA 94 HA ALA 94 4.612 5.847 -14.758 823 HB1 ALA 94 HB1 ALA 94 4.150 8.091 -13.901 824 HB2 ALA 94 HB2 ALA 94 4.302 8.088 -15.660 825 HB3 ALA 94 HB3 ALA 94 5.629 8.684 -14.659 826 H ASP 95 H ASP 95 7.771 5.595 -14.598 827 HA ASP 95 HA ASP 95 8.276 6.096 -17.454 828 HB2 ASP 95 HB2 ASP 95 9.849 7.094 -15.771 829 HB3 ASP 95 HB3 ASP 95 10.294 5.462 -15.288 830 H LEU 96 H LEU 96 6.919 3.792 -15.891 831 HA LEU 96 HA LEU 96 8.553 1.536 -16.711 832 HB2 LEU 96 HB2 LEU 96 5.830 1.622 -15.405 833 HB3 LEU 96 HB3 LEU 96 6.767 0.169 -15.699 834 HG LEU 96 HG LEU 96 7.578 2.431 -13.867 835 HD11 LEU 96 HD11 LEU 96 6.618 -0.352 -13.230 836 HD12 LEU 96 HD12 LEU 96 5.689 1.133 -13.014 837 HD13 LEU 96 HD13 LEU 96 7.153 0.862 -12.066 838 HD21 LEU 96 HD21 LEU 96 9.504 1.321 -14.881 839 HD22 LEU 96 HD22 LEU 96 8.876 -0.247 -14.372 840 HD23 LEU 96 HD23 LEU 96 9.376 0.938 -13.165 841 H ASP 97 H ASP 97 7.827 -0.072 -18.164 842 HA ASP 97 HA ASP 97 6.358 0.843 -20.426 843 HB2 ASP 97 HB2 ASP 97 8.041 -0.746 -20.879 844 HB3 ASP 97 HB3 ASP 97 7.501 -1.815 -19.591 845 H ASN 98 H ASN 98 4.298 0.264 -21.123 846 HA ASN 98 HA ASN 98 2.316 0.116 -19.149 847 HB2 ASN 98 HB2 ASN 98 1.913 1.084 -21.364 848 HB3 ASN 98 HB3 ASN 98 2.093 -0.505 -22.104 849 HD21 ASN 98 HD21 ASN 98 0.074 1.540 -20.148 850 HD22 ASN 98 HD22 ASN 98 -1.359 0.579 -20.272 851 H ARG 99 H ARG 99 3.683 -2.381 -21.240 852 HA ARG 99 HA ARG 99 2.021 -4.500 -20.351 853 HB2 ARG 99 HB2 ARG 99 3.166 -4.868 -22.372 854 HB3 ARG 99 HB3 ARG 99 4.702 -4.353 -21.699 855 HG2 ARG 99 HG2 ARG 99 4.472 -6.442 -20.188 856 HG3 ARG 99 HG3 ARG 99 3.290 -6.966 -21.393 857 HD2 ARG 99 HD2 ARG 99 5.604 -7.780 -21.830 858 HD3 ARG 99 HD3 ARG 99 4.918 -6.824 -23.146 859 HE ARG 99 HE ARG 99 6.321 -5.065 -21.508 860 HH11 ARG 99 HH11 ARG 99 7.030 -7.848 -23.518 861 HH12 ARG 99 HH12 ARG 99 8.627 -7.299 -23.935 862 HH21 ARG 99 HH21 ARG 99 8.409 -4.352 -22.037 863 HH22 ARG 99 HH22 ARG 99 9.419 -5.310 -23.075 864 H ALA 100 H ALA 100 5.163 -3.268 -19.322 865 HA ALA 100 HA ALA 100 5.784 -5.264 -17.449 866 HB1 ALA 100 HB1 ALA 100 6.654 -2.379 -17.459 867 HB2 ALA 100 HB2 ALA 100 7.432 -3.693 -18.341 868 HB3 ALA 100 HB3 ALA 100 7.426 -3.697 -16.578 869 H LEU 101 H LEU 101 3.598 -2.589 -17.254 870 HA LEU 101 HA LEU 101 3.465 -2.238 -14.478 871 HB2 LEU 101 HB2 LEU 101 1.265 -2.000 -16.534 872 HB3 LEU 101 HB3 LEU 101 1.163 -1.411 -14.886 873 HG LEU 101 HG LEU 101 3.126 -0.420 -16.957 874 HD11 LEU 101 HD11 LEU 101 1.765 1.616 -16.951 875 HD12 LEU 101 HD12 LEU 101 0.602 0.835 -15.880 876 HD13 LEU 101 HD13 LEU 101 0.847 0.221 -17.515 877 HD21 LEU 101 HD21 LEU 101 3.978 -0.238 -14.681 878 HD22 LEU 101 HD22 LEU 101 2.493 0.570 -14.180 879 HD23 LEU 101 HD23 LEU 101 3.577 1.352 -15.331 880 H SER 102 H SER 102 1.702 -4.460 -16.607 881 HA SER 102 HA SER 102 0.160 -5.630 -14.529 882 HB2 SER 102 HB2 SER 102 -0.484 -5.699 -16.929 883 HB3 SER 102 HB3 SER 102 0.876 -6.775 -17.240 884 HG SER 102 HG SER 102 -1.342 -7.295 -15.526 885 H GLU 103 H GLU 103 3.300 -6.256 -15.908 886 HA GLU 103 HA GLU 103 3.692 -8.821 -14.722 887 HB2 GLU 103 HB2 GLU 103 5.744 -6.838 -15.720 888 HB3 GLU 103 HB3 GLU 103 6.024 -8.543 -15.398 889 HG2 GLU 103 HG2 GLU 103 4.445 -9.128 -17.172 890 HG3 GLU 103 HG3 GLU 103 4.202 -7.413 -17.506 891 H ALA 104 H ALA 104 3.948 -5.575 -13.622 892 HA ALA 104 HA ALA 104 5.665 -6.215 -11.383 893 HB1 ALA 104 HB1 ALA 104 5.377 -3.882 -10.748 894 HB2 ALA 104 HB2 ALA 104 4.140 -3.685 -11.989 895 HB3 ALA 104 HB3 ALA 104 5.809 -4.015 -12.454 896 H LEU 105 H LEU 105 2.278 -5.926 -12.087 897 HA LEU 105 HA LEU 105 1.240 -5.552 -9.522 898 HB2 LEU 105 HB2 LEU 105 0.078 -5.557 -11.841 899 HB3 LEU 105 HB3 LEU 105 -0.097 -7.280 -11.590 900 HG LEU 105 HG LEU 105 -1.193 -5.211 -9.681 901 HD11 LEU 105 HD11 LEU 105 -3.356 -5.584 -10.715 902 HD12 LEU 105 HD12 LEU 105 -2.623 -6.669 -11.896 903 HD13 LEU 105 HD13 LEU 105 -2.207 -4.956 -11.896 904 HD21 LEU 105 HD21 LEU 105 -1.793 -8.147 -10.035 905 HD22 LEU 105 HD22 LEU 105 -2.592 -7.059 -8.902 906 HD23 LEU 105 HD23 LEU 105 -0.878 -7.427 -8.709 907 H GLU 106 H GLU 106 2.050 -8.551 -11.260 908 HA GLU 106 HA GLU 106 1.142 -10.315 -9.274 909 HB2 GLU 106 HB2 GLU 106 2.466 -12.027 -10.354 910 HB3 GLU 106 HB3 GLU 106 1.687 -11.035 -11.576 911 HG2 GLU 106 HG2 GLU 106 3.652 -10.156 -12.318 912 HG3 GLU 106 HG3 GLU 106 4.438 -10.301 -10.746 913 H LYS 107 H LYS 107 4.220 -8.679 -9.722 914 HA LYS 107 HA LYS 107 5.696 -10.112 -7.796 915 HB2 LYS 107 HB2 LYS 107 6.055 -7.271 -8.772 916 HB3 LYS 107 HB3 LYS 107 7.247 -8.188 -7.862 917 HG2 LYS 107 HG2 LYS 107 6.191 -8.974 -10.570 918 HG3 LYS 107 HG3 LYS 107 7.700 -8.104 -10.289 919 HD2 LYS 107 HD2 LYS 107 7.035 -10.847 -9.218 920 HD3 LYS 107 HD3 LYS 107 8.060 -10.517 -10.615 921 HE2 LYS 107 HE2 LYS 107 8.575 -9.732 -7.749 922 HE3 LYS 107 HE3 LYS 107 9.453 -10.930 -8.699 923 HZ1 LYS 107 HZ1 LYS 107 10.766 -9.001 -8.702 924 HZ2 LYS 107 HZ2 LYS 107 9.444 -7.987 -9.031 925 HZ3 LYS 107 HZ3 LYS 107 10.028 -9.030 -10.233 926 H LEU 108 H LEU 108 3.845 -7.101 -7.629 927 HA LEU 108 HA LEU 108 4.369 -6.563 -4.908 928 HB2 LEU 108 HB2 LEU 108 2.330 -5.659 -6.882 929 HB3 LEU 108 HB3 LEU 108 2.026 -5.348 -5.185 930 HG LEU 108 HG LEU 108 4.144 -4.092 -5.039 931 HD11 LEU 108 HD11 LEU 108 5.350 -3.486 -7.072 932 HD12 LEU 108 HD12 LEU 108 4.301 -4.545 -8.015 933 HD13 LEU 108 HD13 LEU 108 5.384 -5.229 -6.804 934 HD21 LEU 108 HD21 LEU 108 2.294 -3.172 -7.235 935 HD22 LEU 108 HD22 LEU 108 3.411 -2.151 -6.330 936 HD23 LEU 108 HD23 LEU 108 2.058 -2.925 -5.504 937 H TRP 109 H TRP 109 1.816 -8.399 -6.530 938 HA TRP 109 HA TRP 109 0.307 -8.894 -4.190 939 HB2 TRP 109 HB2 TRP 109 -0.694 -9.166 -6.396 940 HB3 TRP 109 HB3 TRP 109 0.421 -10.485 -6.760 941 HD1 TRP 109 HD1 TRP 109 -0.534 -12.821 -6.336 942 HE1 TRP 109 HE1 TRP 109 -2.414 -13.820 -4.882 943 HE3 TRP 109 HE3 TRP 109 -2.021 -8.572 -3.921 944 HZ2 TRP 109 HZ2 TRP 109 -4.276 -12.912 -2.969 945 HZ3 TRP 109 HZ3 TRP 109 -3.855 -8.721 -2.290 946 HH2 TRP 109 HH2 TRP 109 -4.961 -10.850 -1.824 947 H ARG 110 H ARG 110 2.720 -10.877 -5.896 948 HA ARG 110 HA ARG 110 2.653 -13.101 -4.207 949 HB2 ARG 110 HB2 ARG 110 4.923 -11.936 -5.827 950 HB3 ARG 110 HB3 ARG 110 4.998 -13.502 -5.032 951 HG2 ARG 110 HG2 ARG 110 3.365 -14.422 -6.438 952 HG3 ARG 110 HG3 ARG 110 2.836 -12.837 -7.001 953 HD2 ARG 110 HD2 ARG 110 4.129 -13.946 -8.725 954 HD3 ARG 110 HD3 ARG 110 4.996 -12.533 -8.129 955 HE ARG 110 HE ARG 110 5.833 -14.813 -6.701 956 HH11 ARG 110 HH11 ARG 110 6.042 -13.458 -9.944 957 HH12 ARG 110 HH12 ARG 110 7.596 -14.172 -10.267 958 HH21 ARG 110 HH21 ARG 110 7.865 -15.738 -7.139 959 HH22 ARG 110 HH22 ARG 110 8.645 -15.449 -8.666 960 H ARG 111 H ARG 111 4.601 -10.155 -4.034 961 HA ARG 111 HA ARG 111 6.074 -10.781 -1.721 962 HB2 ARG 111 HB2 ARG 111 6.419 -8.867 -3.373 963 HB3 ARG 111 HB3 ARG 111 5.130 -8.028 -2.527 964 HG2 ARG 111 HG2 ARG 111 7.224 -7.217 -1.723 965 HG3 ARG 111 HG3 ARG 111 6.476 -8.177 -0.444 966 HD2 ARG 111 HD2 ARG 111 7.950 -9.950 -0.745 967 HD3 ARG 111 HD3 ARG 111 8.403 -9.422 -2.364 968 HE ARG 111 HE ARG 111 9.167 -7.797 -0.032 969 HH11 ARG 111 HH11 ARG 111 10.028 -9.793 -2.779 970 HH12 ARG 111 HH12 ARG 111 11.712 -9.366 -2.726 971 HH21 ARG 111 HH21 ARG 111 11.404 -7.247 0.047 972 HH22 ARG 111 HH22 ARG 111 12.491 -7.942 -1.125 973 H HIS 112 H HIS 112 2.963 -9.190 -2.194 974 HA HIS 112 HA HIS 112 2.561 -8.458 0.516 975 HB2 HIS 112 HB2 HIS 112 1.449 -7.286 -1.304 976 HB3 HIS 112 HB3 HIS 112 0.599 -8.756 -1.766 977 HD1 HIS 112 HD1 HIS 112 -1.697 -8.941 -0.882 978 HD2 HIS 112 HD2 HIS 112 0.659 -6.431 1.448 979 HE1 HIS 112 HE1 HIS 112 -3.243 -7.986 0.853 980 HE2 HIS 112 HE2 HIS 112 -1.817 -6.393 2.188 981 H CYS 113 H CYS 113 1.551 -11.247 -1.409 982 HA CYS 113 HA CYS 113 -0.262 -12.309 0.484 983 HB2 CYS 113 HB2 CYS 113 -0.292 -12.974 -1.873 984 HB3 CYS 113 HB3 CYS 113 1.296 -13.711 -1.698 985 HG CYS 113 HG CYS 113 -1.611 -14.799 -0.239 986 H ARG 114 H ARG 114 3.153 -13.043 -0.191 987 HA ARG 114 HA ARG 114 3.457 -15.047 1.749 988 HB2 ARG 114 HB2 ARG 114 5.486 -13.140 0.576 989 HB3 ARG 114 HB3 ARG 114 5.901 -14.513 1.596 990 HG2 ARG 114 HG2 ARG 114 4.434 -14.712 -1.025 991 HG3 ARG 114 HG3 ARG 114 6.169 -14.960 -0.817 992 HD2 ARG 114 HD2 ARG 114 4.042 -16.536 0.626 993 HD3 ARG 114 HD3 ARG 114 4.820 -17.064 -0.866 994 HE ARG 114 HE ARG 114 6.892 -16.548 0.832 995 HH11 ARG 114 HH11 ARG 114 4.031 -18.575 1.049 996 HH12 ARG 114 HH12 ARG 114 4.836 -19.791 2.006 997 HH21 ARG 114 HH21 ARG 114 7.927 -18.137 2.087 998 HH22 ARG 114 HH22 ARG 114 7.031 -19.544 2.590 999 H LEU 115 H LEU 115 3.825 -11.554 1.917 1000 HA LEU 115 HA LEU 115 4.825 -11.441 4.561 1001 HB2 LEU 115 HB2 LEU 115 4.996 -9.601 2.911 1002 HB3 LEU 115 HB3 LEU 115 3.264 -9.359 3.023 1003 HG LEU 115 HG LEU 115 3.545 -8.784 5.432 1004 HD11 LEU 115 HD11 LEU 115 5.798 -8.257 6.249 1005 HD12 LEU 115 HD12 LEU 115 6.485 -8.901 4.757 1006 HD13 LEU 115 HD13 LEU 115 5.623 -9.969 5.864 1007 HD21 LEU 115 HD21 LEU 115 3.401 -7.057 3.694 1008 HD22 LEU 115 HD22 LEU 115 5.154 -7.102 3.510 1009 HD23 LEU 115 HD23 LEU 115 4.441 -6.558 5.029 1010 H ALA 116 H ALA 116 1.575 -11.484 3.209 1011 HA ALA 116 HA ALA 116 0.220 -10.817 5.622 1012 HB1 ALA 116 HB1 ALA 116 -0.766 -10.508 3.382 1013 HB2 ALA 116 HB2 ALA 116 -1.799 -11.449 4.457 1014 HB3 ALA 116 HB3 ALA 116 -0.858 -12.259 3.205 1015 H ARG 117 H ARG 117 1.718 -13.662 4.514 1016 HA ARG 117 HA ARG 117 0.164 -15.424 6.225 1017 HB2 ARG 117 HB2 ARG 117 2.570 -15.912 4.463 1018 HB3 ARG 117 HB3 ARG 117 1.828 -17.155 5.462 1019 HG2 ARG 117 HG2 ARG 117 0.475 -15.653 3.230 1020 HG3 ARG 117 HG3 ARG 117 1.093 -17.304 3.145 1021 HD2 ARG 117 HD2 ARG 117 -1.105 -16.306 4.952 1022 HD3 ARG 117 HD3 ARG 117 -1.312 -17.300 3.511 1023 HE ARG 117 HE ARG 117 0.438 -18.536 5.403 1024 HH11 ARG 117 HH11 ARG 117 -2.939 -17.962 4.638 1025 HH12 ARG 117 HH12 ARG 117 -3.508 -19.329 5.557 1026 HH21 ARG 117 HH21 ARG 117 -0.318 -20.325 6.633 1027 HH22 ARG 117 HH22 ARG 117 -2.024 -20.651 6.701 1028 H GLY 118 H GLY 118 2.424 -13.168 6.789 1029 HA2 GLY 118 HA2 GLY 118 4.300 -14.523 8.439 1030 HA3 GLY 118 HA3 GLY 118 3.997 -12.792 8.418 1031 H SER 119 H SER 119 1.855 -12.161 9.449 1032 HA SER 119 HA SER 119 0.831 -11.791 11.430 1033 HB2 SER 119 HB2 SER 119 -0.405 -13.842 12.324 1034 HB3 SER 119 HB3 SER 119 -0.743 -13.372 10.661 1035 HG SER 119 HG SER 119 1.337 -15.110 10.804 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -11.225 -9.618 21.512 2 H2 MET 1 H2 MET 1 -11.634 -11.185 22.015 3 H3 MET 1 H3 MET 1 -10.096 -10.881 21.374 4 HA MET 1 HA MET 1 -11.171 -9.767 23.898 5 HB2 MET 1 HB2 MET 1 -9.108 -11.922 23.392 6 HB3 MET 1 HB3 MET 1 -9.365 -11.157 24.953 7 HG2 MET 1 HG2 MET 1 -11.684 -11.981 24.947 8 HG3 MET 1 HG3 MET 1 -11.367 -12.797 23.417 9 HE1 MET 1 HE1 MET 1 -8.929 -12.403 26.488 10 HE2 MET 1 HE2 MET 1 -9.265 -13.883 27.386 11 HE3 MET 1 HE3 MET 1 -10.504 -12.632 27.250 12 H VAL 2 H VAL 2 -8.233 -10.241 21.912 13 HA VAL 2 HA VAL 2 -6.852 -8.128 23.258 14 HB VAL 2 HB VAL 2 -5.141 -8.350 21.480 15 HG11 VAL 2 HG11 VAL 2 -4.448 -10.635 22.038 16 HG12 VAL 2 HG12 VAL 2 -6.056 -10.955 22.692 17 HG13 VAL 2 HG13 VAL 2 -5.015 -9.753 23.457 18 HG21 VAL 2 HG21 VAL 2 -6.607 -8.911 19.609 19 HG22 VAL 2 HG22 VAL 2 -6.971 -10.467 20.354 20 HG23 VAL 2 HG23 VAL 2 -5.331 -10.114 19.807 21 H LYS 3 H LYS 3 -6.725 -6.050 22.784 22 HA LYS 3 HA LYS 3 -8.412 -5.001 20.657 23 HB2 LYS 3 HB2 LYS 3 -8.559 -4.081 22.961 24 HB3 LYS 3 HB3 LYS 3 -6.883 -3.565 22.840 25 HG2 LYS 3 HG2 LYS 3 -7.444 -2.015 21.079 26 HG3 LYS 3 HG3 LYS 3 -9.109 -2.598 21.057 27 HD2 LYS 3 HD2 LYS 3 -7.755 -1.251 23.395 28 HD3 LYS 3 HD3 LYS 3 -8.907 -0.490 22.293 29 HE2 LYS 3 HE2 LYS 3 -10.633 -2.053 22.985 30 HE3 LYS 3 HE3 LYS 3 -9.490 -2.887 24.034 31 HZ1 LYS 3 HZ1 LYS 3 -10.348 -0.054 24.347 32 HZ2 LYS 3 HZ2 LYS 3 -9.303 -0.907 25.384 33 HZ3 LYS 3 HZ3 LYS 3 -10.932 -1.364 25.257 34 H LEU 4 H LEU 4 -7.526 -4.631 18.729 35 HA LEU 4 HA LEU 4 -4.658 -4.661 18.428 36 HB2 LEU 4 HB2 LEU 4 -6.316 -5.816 16.900 37 HB3 LEU 4 HB3 LEU 4 -6.727 -4.230 16.280 38 HG LEU 4 HG LEU 4 -4.488 -3.926 15.414 39 HD11 LEU 4 HD11 LEU 4 -3.261 -5.099 17.182 40 HD12 LEU 4 HD12 LEU 4 -2.792 -5.660 15.578 41 HD13 LEU 4 HD13 LEU 4 -3.868 -6.640 16.576 42 HD21 LEU 4 HD21 LEU 4 -5.607 -6.638 14.722 43 HD22 LEU 4 HD22 LEU 4 -4.442 -5.732 13.756 44 HD23 LEU 4 HD23 LEU 4 -6.071 -5.099 13.996 45 H ALA 5 H ALA 5 -5.299 -2.549 19.919 46 HA ALA 5 HA ALA 5 -4.132 -0.384 18.496 47 HB1 ALA 5 HB1 ALA 5 -5.947 1.243 18.825 48 HB2 ALA 5 HB2 ALA 5 -7.000 -0.052 19.395 49 HB3 ALA 5 HB3 ALA 5 -6.426 -0.050 17.728 50 H PHE 6 H PHE 6 -3.201 1.047 19.932 51 HA PHE 6 HA PHE 6 -2.820 0.175 22.580 52 HB2 PHE 6 HB2 PHE 6 -1.892 2.673 22.749 53 HB3 PHE 6 HB3 PHE 6 -1.006 1.397 21.923 54 HD1 PHE 6 HD2 PHE 6 -3.451 4.135 21.285 55 HD2 PHE 6 HD1 PHE 6 -0.346 1.674 19.732 56 HE1 PHE 6 HE2 PHE 6 -3.430 5.468 19.220 57 HE2 PHE 6 HE1 PHE 6 -0.322 3.006 17.665 58 HZ PHE 6 HZ PHE 6 -1.865 4.906 17.407 59 HA PRO 7 HA PRO 7 -6.604 1.789 24.289 60 HB2 PRO 7 HB2 PRO 7 -5.376 1.061 26.862 61 HB3 PRO 7 HB3 PRO 7 -6.867 0.472 26.123 62 HG2 PRO 7 HG2 PRO 7 -4.682 -1.072 26.308 63 HG3 PRO 7 HG3 PRO 7 -5.781 -1.169 24.919 64 HD2 PRO 7 HD2 PRO 7 -3.126 0.202 25.146 65 HD3 PRO 7 HD3 PRO 7 -3.788 -0.760 23.806 66 H ARG 8 H ARG 8 -7.246 3.344 25.922 67 HA ARG 8 HA ARG 8 -5.623 5.677 25.880 68 HB2 ARG 8 HB2 ARG 8 -8.048 5.831 25.862 69 HB3 ARG 8 HB3 ARG 8 -8.145 5.008 27.408 70 HG2 ARG 8 HG2 ARG 8 -8.538 7.416 27.591 71 HG3 ARG 8 HG3 ARG 8 -7.135 6.893 28.520 72 HD2 ARG 8 HD2 ARG 8 -6.601 7.780 25.758 73 HD3 ARG 8 HD3 ARG 8 -7.139 9.029 26.881 74 HE ARG 8 HE ARG 8 -5.118 7.531 28.118 75 HH11 ARG 8 HH11 ARG 8 -5.521 9.782 25.463 76 HH12 ARG 8 HH12 ARG 8 -3.916 10.437 25.616 77 HH21 ARG 8 HH21 ARG 8 -3.010 8.351 28.300 78 HH22 ARG 8 HH22 ARG 8 -2.486 9.631 27.244 79 H GLU 9 H GLU 9 -3.710 5.296 26.878 80 HA GLU 9 HA GLU 9 -3.695 5.477 29.741 81 HB2 GLU 9 HB2 GLU 9 -3.924 3.034 29.424 82 HB3 GLU 9 HB3 GLU 9 -2.476 3.034 28.428 83 HG2 GLU 9 HG2 GLU 9 -2.083 2.252 30.732 84 HG3 GLU 9 HG3 GLU 9 -1.116 3.660 30.298 85 H LEU 10 H LEU 10 -1.202 4.087 27.671 86 HA LEU 10 HA LEU 10 0.608 6.235 28.374 87 HB2 LEU 10 HB2 LEU 10 1.017 3.815 26.606 88 HB3 LEU 10 HB3 LEU 10 2.277 4.917 27.125 89 HG LEU 10 HG LEU 10 0.660 3.126 28.945 90 HD11 LEU 10 HD11 LEU 10 2.783 1.930 29.237 91 HD12 LEU 10 HD12 LEU 10 3.516 2.948 27.995 92 HD13 LEU 10 HD13 LEU 10 2.196 1.853 27.576 93 HD21 LEU 10 HD21 LEU 10 2.191 3.832 30.686 94 HD22 LEU 10 HD22 LEU 10 1.348 5.229 30.012 95 HD23 LEU 10 HD23 LEU 10 3.020 4.900 29.554 96 H ARG 11 H ARG 11 -1.303 5.183 25.674 97 HA ARG 11 HA ARG 11 -0.314 7.461 24.106 98 HB2 ARG 11 HB2 ARG 11 0.541 5.245 23.294 99 HB3 ARG 11 HB3 ARG 11 -1.121 4.766 22.994 100 HG2 ARG 11 HG2 ARG 11 -1.190 5.845 21.053 101 HG3 ARG 11 HG3 ARG 11 -0.452 7.295 21.739 102 HD2 ARG 11 HD2 ARG 11 1.105 4.814 21.029 103 HD3 ARG 11 HD3 ARG 11 0.870 6.165 19.919 104 HE ARG 11 HE ARG 11 1.881 7.441 22.014 105 HH11 ARG 11 HH11 ARG 11 2.894 4.373 20.655 106 HH12 ARG 11 HH12 ARG 11 4.576 4.637 20.988 107 HH21 ARG 11 HH21 ARG 11 4.089 7.793 22.440 108 HH22 ARG 11 HH22 ARG 11 5.258 6.574 22.015 109 H LEU 12 H LEU 12 -1.906 8.177 22.457 110 HA LEU 12 HA LEU 12 -4.593 8.070 23.612 111 HB2 LEU 12 HB2 LEU 12 -4.925 10.152 22.174 112 HB3 LEU 12 HB3 LEU 12 -3.884 10.289 23.575 113 HG LEU 12 HG LEU 12 -1.955 9.859 21.886 114 HD11 LEU 12 HD11 LEU 12 -4.104 10.854 20.026 115 HD12 LEU 12 HD12 LEU 12 -3.352 9.259 19.986 116 HD13 LEU 12 HD13 LEU 12 -2.389 10.696 19.642 117 HD21 LEU 12 HD21 LEU 12 -3.471 12.462 21.902 118 HD22 LEU 12 HD22 LEU 12 -1.772 12.248 21.478 119 HD23 LEU 12 HD23 LEU 12 -2.316 11.931 23.125 120 H LEU 13 H LEU 13 -6.436 7.973 22.219 121 HA LEU 13 HA LEU 13 -5.922 6.310 19.870 122 HB2 LEU 13 HB2 LEU 13 -8.307 6.673 21.656 123 HB3 LEU 13 HB3 LEU 13 -8.482 5.956 20.066 124 HG LEU 13 HG LEU 13 -6.670 4.880 22.231 125 HD11 LEU 13 HD11 LEU 13 -9.013 4.684 22.875 126 HD12 LEU 13 HD12 LEU 13 -8.339 3.106 22.468 127 HD13 LEU 13 HD13 LEU 13 -9.388 3.939 21.321 128 HD21 LEU 13 HD21 LEU 13 -6.546 2.912 20.773 129 HD22 LEU 13 HD22 LEU 13 -5.924 4.355 19.971 130 HD23 LEU 13 HD23 LEU 13 -7.529 3.746 19.569 131 H THR 14 H THR 14 -5.762 7.403 18.056 132 HA THR 14 HA THR 14 -7.887 9.331 17.402 133 HB THR 14 HB THR 14 -6.167 10.369 15.826 134 HG1 THR 14 HG1 THR 14 -4.694 8.452 16.296 135 HG21 THR 14 HG21 THR 14 -6.890 11.474 17.895 136 HG22 THR 14 HG22 THR 14 -5.181 11.771 17.574 137 HG23 THR 14 HG23 THR 14 -5.657 10.595 18.799 138 HA PRO 15 HA PRO 15 -8.632 6.303 14.235 139 HB2 PRO 15 HB2 PRO 15 -10.626 7.570 12.949 140 HB3 PRO 15 HB3 PRO 15 -10.842 6.880 14.562 141 HG2 PRO 15 HG2 PRO 15 -10.337 9.723 13.768 142 HG3 PRO 15 HG3 PRO 15 -11.471 9.082 14.969 143 HD2 PRO 15 HD2 PRO 15 -9.036 10.142 15.606 144 HD3 PRO 15 HD3 PRO 15 -9.853 8.907 16.582 145 H SER 16 H SER 16 -6.439 8.213 13.766 146 HA SER 16 HA SER 16 -6.806 8.988 10.980 147 HB2 SER 16 HB2 SER 16 -5.749 10.618 12.486 148 HB3 SER 16 HB3 SER 16 -4.479 9.457 12.868 149 HG SER 16 HG SER 16 -3.547 10.538 11.283 150 H GLN 17 H GLN 17 -6.578 7.345 9.618 151 HA GLN 17 HA GLN 17 -5.219 4.971 9.949 152 HB2 GLN 17 HB2 GLN 17 -6.794 5.327 8.126 153 HB3 GLN 17 HB3 GLN 17 -5.719 6.506 7.390 154 HG2 GLN 17 HG2 GLN 17 -4.023 4.550 7.328 155 HG3 GLN 17 HG3 GLN 17 -5.451 3.539 7.540 156 HE21 GLN 17 HE21 GLN 17 -6.968 3.400 5.888 157 HE22 GLN 17 HE22 GLN 17 -6.615 3.951 4.280 158 H PHE 18 H PHE 18 -4.055 7.892 8.304 159 HA PHE 18 HA PHE 18 -1.586 6.872 7.506 160 HB2 PHE 18 HB2 PHE 18 -2.344 9.743 8.088 161 HB3 PHE 18 HB3 PHE 18 -0.926 9.227 7.179 162 HD1 PHE 18 HD2 PHE 18 -1.256 8.013 5.005 163 HD2 PHE 18 HD1 PHE 18 -4.444 9.943 7.060 164 HE1 PHE 18 HE2 PHE 18 -2.589 8.009 2.936 165 HE2 PHE 18 HE1 PHE 18 -5.781 9.942 4.996 166 HZ PHE 18 HZ PHE 18 -4.853 8.976 2.931 167 H THR 19 H THR 19 -2.525 8.517 10.486 168 HA THR 19 HA THR 19 0.147 8.781 11.454 169 HB THR 19 HB THR 19 -2.384 8.855 13.103 170 HG1 THR 19 HG1 THR 19 -1.249 10.736 11.308 171 HG21 THR 19 HG21 THR 19 -1.096 10.428 14.489 172 HG22 THR 19 HG22 THR 19 0.301 10.201 13.437 173 HG23 THR 19 HG23 THR 19 -0.309 8.852 14.395 174 H PHE 20 H PHE 20 -2.257 6.277 11.548 175 HA PHE 20 HA PHE 20 -0.985 4.863 13.736 176 HB2 PHE 20 HB2 PHE 20 -3.453 4.847 13.427 177 HB3 PHE 20 HB3 PHE 20 -3.235 3.970 11.918 178 HD1 PHE 20 HD1 PHE 20 -2.597 3.761 15.566 179 HD2 PHE 20 HD2 PHE 20 -3.112 1.645 11.910 180 HE1 PHE 20 HE1 PHE 20 -2.646 1.636 16.808 181 HE2 PHE 20 HE2 PHE 20 -3.163 -0.484 13.144 182 HZ PHE 20 HZ PHE 20 -2.929 -0.490 15.598 183 H VAL 21 H VAL 21 -1.253 4.604 10.227 184 HA VAL 21 HA VAL 21 0.102 2.075 10.113 185 HB VAL 21 HB VAL 21 -1.559 2.815 8.402 186 HG11 VAL 21 HG11 VAL 21 -0.925 5.128 8.141 187 HG12 VAL 21 HG12 VAL 21 -0.803 4.299 6.590 188 HG13 VAL 21 HG13 VAL 21 0.656 4.656 7.514 189 HG21 VAL 21 HG21 VAL 21 1.178 2.093 7.369 190 HG22 VAL 21 HG22 VAL 21 -0.329 1.927 6.469 191 HG23 VAL 21 HG23 VAL 21 -0.065 0.973 7.929 192 H PHE 22 H PHE 22 1.062 5.418 10.042 193 HA PHE 22 HA PHE 22 3.595 5.126 8.834 194 HB2 PHE 22 HB2 PHE 22 2.497 7.299 9.106 195 HB3 PHE 22 HB3 PHE 22 2.633 7.167 10.854 196 HD1 PHE 22 HD1 PHE 22 4.668 7.350 7.750 197 HD2 PHE 22 HD2 PHE 22 4.510 7.999 11.954 198 HE1 PHE 22 HE1 PHE 22 6.852 8.475 7.656 199 HE2 PHE 22 HE2 PHE 22 6.695 9.128 11.865 200 HZ PHE 22 HZ PHE 22 7.868 9.367 9.714 201 H GLN 23 H GLN 23 2.427 4.354 11.966 202 HA GLN 23 HA GLN 23 4.844 4.524 13.422 203 HB2 GLN 23 HB2 GLN 23 2.387 2.847 13.943 204 HB3 GLN 23 HB3 GLN 23 3.668 3.171 15.105 205 HG2 GLN 23 HG2 GLN 23 3.148 5.513 15.112 206 HG3 GLN 23 HG3 GLN 23 1.971 5.297 13.818 207 HE21 GLN 23 HE21 GLN 23 0.305 6.145 15.030 208 HE22 GLN 23 HE22 GLN 23 -0.400 5.301 16.368 209 H GLN 24 H GLN 24 3.102 1.562 12.425 210 HA GLN 24 HA GLN 24 5.635 0.386 11.609 211 HB2 GLN 24 HB2 GLN 24 3.871 -0.775 13.754 212 HB3 GLN 24 HB3 GLN 24 4.957 -1.777 12.803 213 HG2 GLN 24 HG2 GLN 24 6.826 -0.270 13.557 214 HG3 GLN 24 HG3 GLN 24 5.676 0.446 14.689 215 HE21 GLN 24 HE21 GLN 24 7.461 -2.409 13.824 216 HE22 GLN 24 HE22 GLN 24 7.255 -3.242 15.331 217 HA PRO 25 HA PRO 25 2.485 -1.167 8.736 218 HB2 PRO 25 HB2 PRO 25 3.446 -0.122 6.496 219 HB3 PRO 25 HB3 PRO 25 2.588 0.901 7.654 220 HG2 PRO 25 HG2 PRO 25 5.508 0.704 7.109 221 HG3 PRO 25 HG3 PRO 25 4.545 2.113 7.582 222 HD2 PRO 25 HD2 PRO 25 6.100 0.459 9.283 223 HD3 PRO 25 HD3 PRO 25 4.976 1.740 9.774 224 H GLN 26 H GLN 26 2.750 -2.758 7.002 225 HA GLN 26 HA GLN 26 5.262 -4.205 7.169 226 HB2 GLN 26 HB2 GLN 26 4.176 -5.891 5.739 227 HB3 GLN 26 HB3 GLN 26 3.212 -5.528 7.159 228 HG2 GLN 26 HG2 GLN 26 1.734 -4.134 5.813 229 HG3 GLN 26 HG3 GLN 26 2.719 -4.456 4.386 230 HE21 GLN 26 HE21 GLN 26 2.004 -6.847 6.826 231 HE22 GLN 26 HE22 GLN 26 0.987 -7.832 5.838 232 H ARG 27 H ARG 27 6.907 -3.407 6.032 233 HA ARG 27 HA ARG 27 6.410 -1.845 3.650 234 HB2 ARG 27 HB2 ARG 27 8.192 -1.373 5.452 235 HB3 ARG 27 HB3 ARG 27 9.124 -2.650 4.689 236 HG2 ARG 27 HG2 ARG 27 8.102 -0.309 3.115 237 HG3 ARG 27 HG3 ARG 27 9.606 -0.222 4.028 238 HD2 ARG 27 HD2 ARG 27 8.998 -2.258 1.884 239 HD3 ARG 27 HD3 ARG 27 9.948 -0.791 1.645 240 HE ARG 27 HE ARG 27 11.254 -1.963 3.671 241 HH11 ARG 27 HH11 ARG 27 10.144 -3.195 0.590 242 HH12 ARG 27 HH12 ARG 27 11.377 -4.414 0.478 243 HH21 ARG 27 HH21 ARG 27 12.888 -3.552 3.529 244 HH22 ARG 27 HH22 ARG 27 12.947 -4.615 2.156 245 H ALA 28 H ALA 28 5.582 -3.292 2.185 246 HA ALA 28 HA ALA 28 7.552 -5.177 1.083 247 HB1 ALA 28 HB1 ALA 28 5.853 -6.459 2.285 248 HB2 ALA 28 HB2 ALA 28 5.739 -6.739 0.547 249 HB3 ALA 28 HB3 ALA 28 4.583 -5.672 1.346 250 H GLY 29 H GLY 29 8.166 -4.268 -0.750 251 HA2 GLY 29 HA2 GLY 29 6.747 -3.991 -3.040 252 HA3 GLY 29 HA3 GLY 29 6.466 -2.463 -2.210 253 H THR 30 H THR 30 7.603 -1.470 -4.017 254 HA THR 30 HA THR 30 10.507 -1.931 -3.957 255 HB THR 30 HB THR 30 10.534 -0.845 -6.202 256 HG1 THR 30 HG1 THR 30 7.798 -1.204 -6.532 257 HG21 THR 30 HG21 THR 30 8.683 -3.226 -6.008 258 HG22 THR 30 HG22 THR 30 10.446 -3.294 -5.999 259 HG23 THR 30 HG23 THR 30 9.591 -2.733 -7.436 260 HA PRO 31 HA PRO 31 11.183 2.275 -2.600 261 HB2 PRO 31 HB2 PRO 31 13.158 2.768 -4.715 262 HB3 PRO 31 HB3 PRO 31 13.393 2.662 -2.969 263 HG2 PRO 31 HG2 PRO 31 14.288 0.761 -4.656 264 HG3 PRO 31 HG3 PRO 31 13.721 0.386 -3.018 265 HD2 PRO 31 HD2 PRO 31 12.300 0.070 -5.636 266 HD3 PRO 31 HD3 PRO 31 12.346 -1.027 -4.241 267 H GLN 32 H GLN 32 10.159 1.579 -5.755 268 HA GLN 32 HA GLN 32 9.767 4.354 -6.530 269 HB2 GLN 32 HB2 GLN 32 10.457 2.666 -8.207 270 HB3 GLN 32 HB3 GLN 32 8.955 1.795 -7.928 271 HG2 GLN 32 HG2 GLN 32 8.862 3.140 -9.958 272 HG3 GLN 32 HG3 GLN 32 7.678 3.673 -8.767 273 HE21 GLN 32 HE21 GLN 32 10.689 4.429 -10.351 274 HE22 GLN 32 HE22 GLN 32 10.710 6.107 -9.929 275 H ILE 33 H ILE 33 7.798 1.466 -5.896 276 HA ILE 33 HA ILE 33 5.670 3.269 -4.987 277 HB ILE 33 HB ILE 33 4.866 2.342 -7.038 278 HG12 ILE 33 HG12 ILE 33 3.632 0.809 -4.741 279 HG13 ILE 33 HG13 ILE 33 3.252 2.470 -5.177 280 HG21 ILE 33 HG21 ILE 33 4.694 -0.074 -7.449 281 HG22 ILE 33 HG22 ILE 33 5.579 -0.376 -5.951 282 HG23 ILE 33 HG23 ILE 33 6.366 0.467 -7.286 283 HD11 ILE 33 HD11 ILE 33 2.767 0.043 -6.890 284 HD12 ILE 33 HD12 ILE 33 2.389 1.707 -7.330 285 HD13 ILE 33 HD13 ILE 33 1.550 0.940 -5.982 286 H THR 34 H THR 34 5.807 3.168 -2.865 287 HA THR 34 HA THR 34 6.487 0.624 -1.586 288 HB THR 34 HB THR 34 6.392 3.379 -0.354 289 HG1 THR 34 HG1 THR 34 8.261 2.146 -1.973 290 HG21 THR 34 HG21 THR 34 7.820 2.360 1.372 291 HG22 THR 34 HG22 THR 34 7.678 0.802 0.561 292 HG23 THR 34 HG23 THR 34 6.253 1.560 1.270 293 H ILE 35 H ILE 35 4.786 -0.558 -1.055 294 HA ILE 35 HA ILE 35 2.263 0.697 -0.320 295 HB ILE 35 HB ILE 35 2.897 -2.245 -0.592 296 HG12 ILE 35 HG12 ILE 35 1.611 -0.415 -2.631 297 HG13 ILE 35 HG13 ILE 35 3.290 -0.938 -2.695 298 HG21 ILE 35 HG21 ILE 35 0.915 -1.789 0.731 299 HG22 ILE 35 HG22 ILE 35 0.461 -2.479 -0.826 300 HG23 ILE 35 HG23 ILE 35 0.279 -0.748 -0.542 301 HD11 ILE 35 HD11 ILE 35 0.879 -2.733 -2.829 302 HD12 ILE 35 HD12 ILE 35 2.562 -3.254 -2.902 303 HD13 ILE 35 HD13 ILE 35 1.895 -2.247 -4.188 304 H LEU 36 H LEU 36 2.072 1.279 1.742 305 HA LEU 36 HA LEU 36 3.305 -0.423 3.808 306 HB2 LEU 36 HB2 LEU 36 2.540 2.498 3.912 307 HB3 LEU 36 HB3 LEU 36 3.225 1.586 5.243 308 HG LEU 36 HG LEU 36 4.620 2.149 2.621 309 HD11 LEU 36 HD11 LEU 36 6.040 3.626 3.951 310 HD12 LEU 36 HD12 LEU 36 5.038 3.318 5.369 311 HD13 LEU 36 HD13 LEU 36 4.359 4.157 3.974 312 HD21 LEU 36 HD21 LEU 36 6.588 1.218 3.713 313 HD22 LEU 36 HD22 LEU 36 5.293 0.022 3.644 314 HD23 LEU 36 HD23 LEU 36 5.637 0.864 5.155 315 H GLY 37 H GLY 37 1.809 -1.779 4.585 316 HA2 GLY 37 HA2 GLY 37 -0.856 -0.654 5.188 317 HA3 GLY 37 HA3 GLY 37 -0.623 -2.300 4.615 318 H ARG 38 H ARG 38 -1.906 -1.322 7.069 319 HA ARG 38 HA ARG 38 -0.432 -3.068 8.883 320 HB2 ARG 38 HB2 ARG 38 0.316 -0.766 9.424 321 HB3 ARG 38 HB3 ARG 38 -1.357 -0.310 9.719 322 HG2 ARG 38 HG2 ARG 38 -1.491 -1.929 11.535 323 HG3 ARG 38 HG3 ARG 38 0.177 -2.410 11.235 324 HD2 ARG 38 HD2 ARG 38 0.900 -0.111 11.757 325 HD3 ARG 38 HD3 ARG 38 -0.777 0.307 12.125 326 HE ARG 38 HE ARG 38 -0.062 -1.947 13.632 327 HH11 ARG 38 HH11 ARG 38 0.583 1.503 13.488 328 HH12 ARG 38 HH12 ARG 38 1.047 1.601 15.159 329 HH21 ARG 38 HH21 ARG 38 0.547 -1.788 15.830 330 HH22 ARG 38 HH22 ARG 38 1.040 -0.253 16.479 331 H LEU 39 H LEU 39 -1.752 -4.409 9.916 332 HA LEU 39 HA LEU 39 -4.560 -4.293 9.462 333 HB2 LEU 39 HB2 LEU 39 -4.705 -6.335 10.748 334 HB3 LEU 39 HB3 LEU 39 -3.372 -6.432 9.618 335 HG LEU 39 HG LEU 39 -2.967 -5.754 12.531 336 HD11 LEU 39 HD11 LEU 39 -4.069 -7.923 12.395 337 HD12 LEU 39 HD12 LEU 39 -2.378 -8.108 12.862 338 HD13 LEU 39 HD13 LEU 39 -2.882 -8.465 11.211 339 HD21 LEU 39 HD21 LEU 39 -1.112 -6.823 10.403 340 HD22 LEU 39 HD22 LEU 39 -0.687 -6.529 12.088 341 HD23 LEU 39 HD23 LEU 39 -1.122 -5.180 11.042 342 H ASN 40 H ASN 40 -6.173 -3.639 10.749 343 HA ASN 40 HA ASN 40 -5.615 -2.864 13.513 344 HB2 ASN 40 HB2 ASN 40 -5.331 -0.803 12.208 345 HB3 ASN 40 HB3 ASN 40 -6.904 -1.040 11.459 346 HD21 ASN 40 HD21 ASN 40 -5.222 -0.190 14.385 347 HD22 ASN 40 HD22 ASN 40 -6.573 0.525 15.190 348 H SER 41 H SER 41 -7.670 -2.505 14.738 349 HA SER 41 HA SER 41 -9.436 -4.642 14.377 350 HB2 SER 41 HB2 SER 41 -10.842 -3.237 16.075 351 HB3 SER 41 HB3 SER 41 -9.277 -3.887 16.567 352 HG SER 41 HG SER 41 -10.007 -1.244 15.972 353 H LEU 42 H LEU 42 -9.582 -1.325 13.237 354 HA LEU 42 HA LEU 42 -12.296 -1.322 12.430 355 HB2 LEU 42 HB2 LEU 42 -10.955 0.727 12.596 356 HB3 LEU 42 HB3 LEU 42 -9.931 0.174 11.285 357 HG LEU 42 HG LEU 42 -11.911 0.247 9.771 358 HD11 LEU 42 HD11 LEU 42 -13.895 1.461 10.481 359 HD12 LEU 42 HD12 LEU 42 -13.236 1.606 12.111 360 HD13 LEU 42 HD13 LEU 42 -13.652 0.018 11.466 361 HD21 LEU 42 HD21 LEU 42 -11.202 2.827 11.159 362 HD22 LEU 42 HD22 LEU 42 -11.953 2.685 9.571 363 HD23 LEU 42 HD23 LEU 42 -10.317 2.081 9.828 364 H GLY 43 H GLY 43 -9.417 -1.546 10.357 365 HA2 GLY 43 HA2 GLY 43 -8.945 -2.833 8.530 366 HA3 GLY 43 HA3 GLY 43 -10.047 -4.015 9.214 367 H HIS 44 H HIS 44 -10.435 -0.773 7.776 368 HA HIS 44 HA HIS 44 -12.285 -1.998 5.830 369 HB2 HIS 44 HB2 HIS 44 -12.626 0.616 7.311 370 HB3 HIS 44 HB3 HIS 44 -13.524 0.224 5.852 371 HD1 HIS 44 HD1 HIS 44 -13.348 -2.876 7.535 372 HD2 HIS 44 HD2 HIS 44 -15.518 0.619 8.150 373 HE1 HIS 44 HE1 HIS 44 -15.303 -3.537 8.971 374 HE2 HIS 44 HE2 HIS 44 -16.691 -1.443 9.193 375 HA PRO 45 HA PRO 45 -8.387 -0.673 3.916 376 HB2 PRO 45 HB2 PRO 45 -9.387 -1.434 1.367 377 HB3 PRO 45 HB3 PRO 45 -8.284 -2.332 2.411 378 HG2 PRO 45 HG2 PRO 45 -11.219 -2.602 2.087 379 HG3 PRO 45 HG3 PRO 45 -10.008 -3.827 2.508 380 HD2 PRO 45 HD2 PRO 45 -11.679 -2.858 4.348 381 HD3 PRO 45 HD3 PRO 45 -9.983 -3.210 4.751 382 H ARG 46 H ARG 46 -8.658 1.551 4.202 383 HA ARG 46 HA ARG 46 -9.937 2.999 2.014 384 HB2 ARG 46 HB2 ARG 46 -9.683 3.581 4.665 385 HB3 ARG 46 HB3 ARG 46 -8.303 4.451 4.011 386 HG2 ARG 46 HG2 ARG 46 -10.346 5.825 4.234 387 HG3 ARG 46 HG3 ARG 46 -9.720 5.752 2.586 388 HD2 ARG 46 HD2 ARG 46 -12.263 5.475 2.983 389 HD3 ARG 46 HD3 ARG 46 -11.447 4.400 1.850 390 HE ARG 46 HE ARG 46 -11.322 2.880 3.962 391 HH11 ARG 46 HH11 ARG 46 -13.996 5.001 3.164 392 HH12 ARG 46 HH12 ARG 46 -15.208 3.901 3.760 393 HH21 ARG 46 HH21 ARG 46 -12.889 1.452 4.744 394 HH22 ARG 46 HH22 ARG 46 -14.574 1.883 4.687 395 H ILE 47 H ILE 47 -8.624 2.333 0.307 396 HA ILE 47 HA ILE 47 -5.841 2.120 0.408 397 HB ILE 47 HB ILE 47 -7.082 0.970 -1.298 398 HG12 ILE 47 HG12 ILE 47 -5.186 3.041 -2.417 399 HG13 ILE 47 HG13 ILE 47 -4.804 1.404 -1.889 400 HG21 ILE 47 HG21 ILE 47 -8.897 2.531 -1.639 401 HG22 ILE 47 HG22 ILE 47 -8.145 2.117 -3.179 402 HG23 ILE 47 HG23 ILE 47 -7.800 3.671 -2.418 403 HD11 ILE 47 HD11 ILE 47 -4.817 1.579 -4.310 404 HD12 ILE 47 HD12 ILE 47 -6.494 2.125 -4.271 405 HD13 ILE 47 HD13 ILE 47 -6.085 0.493 -3.741 406 H GLY 48 H GLY 48 -4.677 3.792 1.112 407 HA2 GLY 48 HA2 GLY 48 -5.234 6.488 0.161 408 HA3 GLY 48 HA3 GLY 48 -4.094 6.034 1.418 409 H LEU 49 H LEU 49 -4.600 5.840 -2.089 410 HA LEU 49 HA LEU 49 -1.799 5.479 -2.603 411 HB2 LEU 49 HB2 LEU 49 -3.446 4.608 -4.172 412 HB3 LEU 49 HB3 LEU 49 -4.070 6.224 -4.450 413 HG LEU 49 HG LEU 49 -1.898 6.871 -5.446 414 HD11 LEU 49 HD11 LEU 49 -0.451 5.311 -4.282 415 HD12 LEU 49 HD12 LEU 49 -0.279 5.131 -6.028 416 HD13 LEU 49 HD13 LEU 49 -1.217 3.956 -5.109 417 HD21 LEU 49 HD21 LEU 49 -3.726 6.108 -6.863 418 HD22 LEU 49 HD22 LEU 49 -3.169 4.442 -6.697 419 HD23 LEU 49 HD23 LEU 49 -2.161 5.633 -7.523 420 H THR 50 H THR 50 -0.352 7.016 -2.375 421 HA THR 50 HA THR 50 -1.173 9.815 -2.459 422 HB THR 50 HB THR 50 1.491 8.602 -1.690 423 HG1 THR 50 HG1 THR 50 -0.439 8.169 -0.320 424 HG21 THR 50 HG21 THR 50 0.409 11.397 -1.310 425 HG22 THR 50 HG22 THR 50 1.691 10.928 -2.426 426 HG23 THR 50 HG23 THR 50 1.944 10.794 -0.686 427 H VAL 51 H VAL 51 -1.164 10.729 -4.389 428 HA VAL 51 HA VAL 51 1.211 10.465 -6.061 429 HB VAL 51 HB VAL 51 -0.389 8.844 -6.970 430 HG11 VAL 51 HG11 VAL 51 -2.507 9.590 -7.967 431 HG12 VAL 51 HG12 VAL 51 -2.239 11.201 -7.298 432 HG13 VAL 51 HG13 VAL 51 -2.469 9.825 -6.217 433 HG21 VAL 51 HG21 VAL 51 -0.063 11.274 -8.725 434 HG22 VAL 51 HG22 VAL 51 -0.446 9.646 -9.285 435 HG23 VAL 51 HG23 VAL 51 1.107 9.972 -8.516 436 H ALA 52 H ALA 52 1.760 12.329 -7.127 437 HA ALA 52 HA ALA 52 -0.099 14.596 -7.015 438 HB1 ALA 52 HB1 ALA 52 1.366 14.738 -5.036 439 HB2 ALA 52 HB2 ALA 52 1.629 16.070 -6.161 440 HB3 ALA 52 HB3 ALA 52 2.776 14.732 -6.099 441 H LYS 53 H LYS 53 1.379 16.553 -8.124 442 HA LYS 53 HA LYS 53 1.890 15.455 -10.782 443 HB2 LYS 53 HB2 LYS 53 1.561 17.671 -11.633 444 HB3 LYS 53 HB3 LYS 53 0.270 17.326 -10.496 445 HG2 LYS 53 HG2 LYS 53 0.741 19.368 -9.707 446 HG3 LYS 53 HG3 LYS 53 2.063 18.549 -8.871 447 HD2 LYS 53 HD2 LYS 53 3.571 19.091 -10.710 448 HD3 LYS 53 HD3 LYS 53 2.252 19.879 -11.575 449 HE2 LYS 53 HE2 LYS 53 2.035 21.457 -9.658 450 HE3 LYS 53 HE3 LYS 53 3.478 20.725 -8.954 451 HZ1 LYS 53 HZ1 LYS 53 4.686 21.339 -10.996 452 HZ2 LYS 53 HZ2 LYS 53 4.094 22.689 -10.159 453 HZ3 LYS 53 HZ3 LYS 53 3.302 22.144 -11.558 454 H LYS 54 H LYS 54 3.679 16.023 -8.151 455 HA LYS 54 HA LYS 54 5.956 17.242 -9.506 456 HB2 LYS 54 HB2 LYS 54 7.038 17.207 -7.309 457 HB3 LYS 54 HB3 LYS 54 5.461 17.977 -7.228 458 HG2 LYS 54 HG2 LYS 54 4.510 15.929 -6.291 459 HG3 LYS 54 HG3 LYS 54 6.098 15.162 -6.369 460 HD2 LYS 54 HD2 LYS 54 5.404 17.623 -4.762 461 HD3 LYS 54 HD3 LYS 54 5.609 15.992 -4.117 462 HE2 LYS 54 HE2 LYS 54 7.938 15.989 -4.856 463 HE3 LYS 54 HE3 LYS 54 7.734 17.607 -5.526 464 HZ1 LYS 54 HZ1 LYS 54 8.791 17.710 -3.379 465 HZ2 LYS 54 HZ2 LYS 54 7.514 16.856 -2.660 466 HZ3 LYS 54 HZ3 LYS 54 7.247 18.414 -3.283 467 H ASN 55 H ASN 55 4.740 14.159 -8.626 468 HA ASN 55 HA ASN 55 7.288 12.929 -9.429 469 HB2 ASN 55 HB2 ASN 55 6.499 10.861 -8.363 470 HB3 ASN 55 HB3 ASN 55 6.541 12.191 -7.216 471 HD21 ASN 55 HD21 ASN 55 4.998 9.628 -7.381 472 HD22 ASN 55 HD22 ASN 55 3.353 10.105 -7.152 473 H VAL 56 H VAL 56 3.881 13.182 -10.079 474 HA VAL 56 HA VAL 56 4.333 11.797 -12.635 475 HB VAL 56 HB VAL 56 1.750 11.835 -11.058 476 HG11 VAL 56 HG11 VAL 56 0.966 10.229 -12.759 477 HG12 VAL 56 HG12 VAL 56 2.461 10.487 -13.658 478 HG13 VAL 56 HG13 VAL 56 1.327 11.818 -13.432 479 HG21 VAL 56 HG21 VAL 56 3.384 10.371 -10.006 480 HG22 VAL 56 HG22 VAL 56 3.666 9.557 -11.546 481 HG23 VAL 56 HG23 VAL 56 2.094 9.431 -10.756 482 H ARG 57 H ARG 57 4.725 13.652 -13.792 483 HA ARG 57 HA ARG 57 2.915 15.917 -13.623 484 HB2 ARG 57 HB2 ARG 57 5.461 16.031 -13.958 485 HB3 ARG 57 HB3 ARG 57 5.153 15.530 -15.613 486 HG2 ARG 57 HG2 ARG 57 3.772 17.512 -15.963 487 HG3 ARG 57 HG3 ARG 57 4.070 18.014 -14.297 488 HD2 ARG 57 HD2 ARG 57 6.509 18.047 -14.826 489 HD3 ARG 57 HD3 ARG 57 6.093 17.744 -16.514 490 HE ARG 57 HE ARG 57 4.624 19.954 -15.739 491 HH11 ARG 57 HH11 ARG 57 8.002 19.089 -16.037 492 HH12 ARG 57 HH12 ARG 57 8.530 20.728 -16.295 493 HH21 ARG 57 HH21 ARG 57 5.295 22.100 -16.068 494 HH22 ARG 57 HH22 ARG 57 6.984 22.448 -16.324 495 H ARG 58 H ARG 58 1.633 13.581 -14.367 496 HA ARG 58 HA ARG 58 0.913 14.085 -17.162 497 HB2 ARG 58 HB2 ARG 58 1.741 11.447 -15.968 498 HB3 ARG 58 HB3 ARG 58 0.793 11.557 -17.443 499 HG2 ARG 58 HG2 ARG 58 3.558 12.662 -17.007 500 HG3 ARG 58 HG3 ARG 58 3.123 11.243 -17.965 501 HD2 ARG 58 HD2 ARG 58 1.599 12.891 -19.257 502 HD3 ARG 58 HD3 ARG 58 2.616 14.137 -18.533 503 HE ARG 58 HE ARG 58 4.358 12.315 -19.632 504 HH11 ARG 58 HH11 ARG 58 1.881 14.527 -20.741 505 HH12 ARG 58 HH12 ARG 58 2.424 14.512 -22.391 506 HH21 ARG 58 HH21 ARG 58 5.102 12.317 -21.803 507 HH22 ARG 58 HH22 ARG 58 4.265 13.283 -22.989 508 H ALA 59 H ALA 59 -1.218 13.986 -17.545 509 HA ALA 59 HA ALA 59 -3.008 13.726 -15.328 510 HB1 ALA 59 HB1 ALA 59 -3.370 15.350 -17.132 511 HB2 ALA 59 HB2 ALA 59 -4.754 14.279 -16.914 512 HB3 ALA 59 HB3 ALA 59 -3.642 14.021 -18.258 513 H HIS 60 H HIS 60 -2.517 11.827 -18.315 514 HA HIS 60 HA HIS 60 -4.592 9.966 -17.689 515 HB2 HIS 60 HB2 HIS 60 -2.512 8.848 -19.399 516 HB3 HIS 60 HB3 HIS 60 -4.217 9.100 -19.734 517 HD1 HIS 60 HD1 HIS 60 -0.850 10.687 -20.102 518 HD2 HIS 60 HD2 HIS 60 -4.807 11.397 -21.200 519 HE1 HIS 60 HE1 HIS 60 -0.768 12.541 -21.809 520 HE2 HIS 60 HE2 HIS 60 -3.142 12.763 -22.634 521 H GLU 61 H GLU 61 -1.077 9.855 -17.531 522 HA GLU 61 HA GLU 61 -0.782 7.222 -16.681 523 HB2 GLU 61 HB2 GLU 61 0.975 9.642 -16.268 524 HB3 GLU 61 HB3 GLU 61 1.469 8.004 -15.868 525 HG2 GLU 61 HG2 GLU 61 2.357 8.741 -18.027 526 HG3 GLU 61 HG3 GLU 61 1.300 7.343 -18.187 527 H ARG 62 H ARG 62 -1.319 10.170 -14.824 528 HA ARG 62 HA ARG 62 -0.909 9.159 -12.246 529 HB2 ARG 62 HB2 ARG 62 -1.252 11.552 -12.694 530 HB3 ARG 62 HB3 ARG 62 -2.916 11.232 -13.165 531 HG2 ARG 62 HG2 ARG 62 -3.211 10.281 -10.812 532 HG3 ARG 62 HG3 ARG 62 -1.680 11.073 -10.439 533 HD2 ARG 62 HD2 ARG 62 -4.118 12.453 -11.547 534 HD3 ARG 62 HD3 ARG 62 -3.653 12.434 -9.849 535 HE ARG 62 HE ARG 62 -1.851 13.562 -11.882 536 HH11 ARG 62 HH11 ARG 62 -3.757 13.878 -8.964 537 HH12 ARG 62 HH12 ARG 62 -3.158 15.473 -8.591 538 HH21 ARG 62 HH21 ARG 62 -1.073 15.659 -11.420 539 HH22 ARG 62 HH22 ARG 62 -1.631 16.476 -9.991 540 H ASN 63 H ASN 63 -3.783 9.188 -14.299 541 HA ASN 63 HA ASN 63 -5.484 7.997 -12.357 542 HB2 ASN 63 HB2 ASN 63 -5.749 8.525 -15.303 543 HB3 ASN 63 HB3 ASN 63 -6.958 7.575 -14.444 544 HD21 ASN 63 HD21 ASN 63 -5.542 10.729 -14.851 545 HD22 ASN 63 HD22 ASN 63 -6.762 11.595 -13.985 546 H ARG 64 H ARG 64 -3.437 6.743 -14.922 547 HA ARG 64 HA ARG 64 -4.434 4.117 -14.985 548 HB2 ARG 64 HB2 ARG 64 -1.551 4.950 -15.370 549 HB3 ARG 64 HB3 ARG 64 -2.286 3.449 -15.916 550 HG2 ARG 64 HG2 ARG 64 -3.866 4.978 -17.263 551 HG3 ARG 64 HG3 ARG 64 -2.646 6.220 -16.971 552 HD2 ARG 64 HD2 ARG 64 -2.278 3.585 -18.382 553 HD3 ARG 64 HD3 ARG 64 -2.203 5.196 -19.090 554 HE ARG 64 HE ARG 64 -0.259 4.619 -17.008 555 HH11 ARG 64 HH11 ARG 64 -0.966 4.838 -20.422 556 HH12 ARG 64 HH12 ARG 64 0.698 4.833 -20.910 557 HH21 ARG 64 HH21 ARG 64 1.959 4.581 -17.651 558 HH22 ARG 64 HH22 ARG 64 2.358 4.677 -19.342 559 H ILE 65 H ILE 65 -2.002 5.642 -12.931 560 HA ILE 65 HA ILE 65 -1.238 3.324 -11.509 561 HB ILE 65 HB ILE 65 -1.192 6.198 -10.567 562 HG12 ILE 65 HG12 ILE 65 0.036 5.949 -12.656 563 HG13 ILE 65 HG13 ILE 65 1.166 6.176 -11.326 564 HG21 ILE 65 HG21 ILE 65 0.574 5.464 -9.038 565 HG22 ILE 65 HG22 ILE 65 0.367 3.803 -9.596 566 HG23 ILE 65 HG23 ILE 65 -0.940 4.612 -8.729 567 HD11 ILE 65 HD11 ILE 65 1.940 4.486 -12.901 568 HD12 ILE 65 HD12 ILE 65 0.481 3.541 -12.610 569 HD13 ILE 65 HD13 ILE 65 1.642 3.793 -11.308 570 H LYS 66 H LYS 66 -3.688 5.807 -10.900 571 HA LYS 66 HA LYS 66 -4.559 4.810 -8.407 572 HB2 LYS 66 HB2 LYS 66 -6.026 6.479 -10.459 573 HB3 LYS 66 HB3 LYS 66 -6.607 6.173 -8.828 574 HG2 LYS 66 HG2 LYS 66 -4.624 7.283 -7.918 575 HG3 LYS 66 HG3 LYS 66 -4.059 7.602 -9.557 576 HD2 LYS 66 HD2 LYS 66 -5.116 9.579 -8.664 577 HD3 LYS 66 HD3 LYS 66 -6.102 8.921 -9.969 578 HE2 LYS 66 HE2 LYS 66 -7.592 7.886 -8.338 579 HE3 LYS 66 HE3 LYS 66 -6.591 8.498 -7.021 580 HZ1 LYS 66 HZ1 LYS 66 -7.153 10.729 -7.608 581 HZ2 LYS 66 HZ2 LYS 66 -8.597 9.854 -7.476 582 HZ3 LYS 66 HZ3 LYS 66 -7.972 10.227 -9.005 583 H ARG 67 H ARG 67 -5.613 4.184 -11.721 584 HA ARG 67 HA ARG 67 -7.822 2.547 -11.065 585 HB2 ARG 67 HB2 ARG 67 -6.112 2.783 -13.532 586 HB3 ARG 67 HB3 ARG 67 -7.468 1.667 -13.436 587 HG2 ARG 67 HG2 ARG 67 -9.024 3.428 -13.221 588 HG3 ARG 67 HG3 ARG 67 -7.750 4.613 -12.926 589 HD2 ARG 67 HD2 ARG 67 -8.714 4.696 -15.224 590 HD3 ARG 67 HD3 ARG 67 -6.969 4.444 -15.176 591 HE ARG 67 HE ARG 67 -8.236 1.938 -15.282 592 HH11 ARG 67 HH11 ARG 67 -7.778 4.775 -17.290 593 HH12 ARG 67 HH12 ARG 67 -7.826 3.877 -18.777 594 HH21 ARG 67 HH21 ARG 67 -8.260 0.759 -17.226 595 HH22 ARG 67 HH22 ARG 67 -8.066 1.581 -18.745 596 H LEU 68 H LEU 68 -4.478 1.748 -11.964 597 HA LEU 68 HA LEU 68 -4.728 -1.022 -11.977 598 HB2 LEU 68 HB2 LEU 68 -2.802 0.298 -12.845 599 HB3 LEU 68 HB3 LEU 68 -2.298 0.598 -11.197 600 HG LEU 68 HG LEU 68 -1.091 -1.230 -12.557 601 HD11 LEU 68 HD11 LEU 68 -2.145 -1.824 -9.799 602 HD12 LEU 68 HD12 LEU 68 -0.698 -0.896 -10.194 603 HD13 LEU 68 HD13 LEU 68 -0.770 -2.620 -10.561 604 HD21 LEU 68 HD21 LEU 68 -3.078 -2.358 -13.397 605 HD22 LEU 68 HD22 LEU 68 -3.565 -2.749 -11.747 606 HD23 LEU 68 HD23 LEU 68 -2.095 -3.453 -12.424 607 H THR 69 H THR 69 -3.781 1.113 -9.291 608 HA THR 69 HA THR 69 -3.347 -1.010 -7.458 609 HB THR 69 HB THR 69 -3.480 0.849 -5.724 610 HG1 THR 69 HG1 THR 69 -3.362 2.649 -7.892 611 HG21 THR 69 HG21 THR 69 -1.586 1.192 -8.050 612 HG22 THR 69 HG22 THR 69 -1.361 0.109 -6.677 613 HG23 THR 69 HG23 THR 69 -1.354 1.854 -6.432 614 H ARG 70 H ARG 70 -5.999 1.341 -7.778 615 HA ARG 70 HA ARG 70 -7.555 0.400 -5.656 616 HB2 ARG 70 HB2 ARG 70 -7.894 2.586 -6.684 617 HB3 ARG 70 HB3 ARG 70 -8.416 1.826 -8.179 618 HG2 ARG 70 HG2 ARG 70 -10.364 0.906 -7.032 619 HG3 ARG 70 HG3 ARG 70 -9.840 1.672 -5.529 620 HD2 ARG 70 HD2 ARG 70 -11.539 3.026 -6.586 621 HD3 ARG 70 HD3 ARG 70 -9.992 3.870 -6.627 622 HE ARG 70 HE ARG 70 -10.544 2.343 -9.011 623 HH11 ARG 70 HH11 ARG 70 -10.975 5.424 -7.381 624 HH12 ARG 70 HH12 ARG 70 -11.278 6.298 -8.852 625 HH21 ARG 70 HH21 ARG 70 -10.964 3.501 -10.953 626 HH22 ARG 70 HH22 ARG 70 -11.269 5.216 -10.878 627 H GLU 71 H GLU 71 -7.315 -0.738 -8.956 628 HA GLU 71 HA GLU 71 -9.762 -2.255 -8.824 629 HB2 GLU 71 HB2 GLU 71 -8.744 -1.212 -10.917 630 HB3 GLU 71 HB3 GLU 71 -7.583 -2.531 -10.888 631 HG2 GLU 71 HG2 GLU 71 -9.378 -3.022 -12.422 632 HG3 GLU 71 HG3 GLU 71 -9.414 -4.142 -11.060 633 H SER 72 H SER 72 -6.473 -2.787 -7.972 634 HA SER 72 HA SER 72 -6.781 -5.689 -8.181 635 HB2 SER 72 HB2 SER 72 -4.308 -4.063 -7.567 636 HB3 SER 72 HB3 SER 72 -4.367 -5.799 -7.886 637 HG SER 72 HG SER 72 -4.612 -3.644 -9.642 638 H PHE 73 H PHE 73 -5.974 -3.193 -5.769 639 HA PHE 73 HA PHE 73 -5.430 -4.931 -3.640 640 HB2 PHE 73 HB2 PHE 73 -6.319 -2.069 -3.748 641 HB3 PHE 73 HB3 PHE 73 -6.117 -2.898 -2.210 642 HD1 PHE 73 HD2 PHE 73 -3.814 -4.223 -2.024 643 HD2 PHE 73 HD1 PHE 73 -4.529 -0.868 -4.538 644 HE1 PHE 73 HE2 PHE 73 -1.401 -3.752 -2.073 645 HE2 PHE 73 HE1 PHE 73 -2.116 -0.389 -4.591 646 HZ PHE 73 HZ PHE 73 -0.550 -1.831 -3.357 647 H ARG 74 H ARG 74 -8.469 -3.623 -4.805 648 HA ARG 74 HA ARG 74 -9.995 -4.407 -2.533 649 HB2 ARG 74 HB2 ARG 74 -10.765 -2.602 -3.944 650 HB3 ARG 74 HB3 ARG 74 -10.822 -3.664 -5.342 651 HG2 ARG 74 HG2 ARG 74 -12.621 -4.942 -4.311 652 HG3 ARG 74 HG3 ARG 74 -12.553 -3.897 -2.890 653 HD2 ARG 74 HD2 ARG 74 -13.172 -1.981 -4.239 654 HD3 ARG 74 HD3 ARG 74 -13.155 -2.972 -5.695 655 HE ARG 74 HE ARG 74 -14.982 -4.279 -4.351 656 HH11 ARG 74 HH11 ARG 74 -14.510 -0.809 -4.471 657 HH12 ARG 74 HH12 ARG 74 -16.192 -0.438 -4.270 658 HH21 ARG 74 HH21 ARG 74 -17.210 -3.790 -4.096 659 HH22 ARG 74 HH22 ARG 74 -17.729 -2.129 -4.069 660 H LEU 75 H LEU 75 -9.051 -6.003 -5.486 661 HA LEU 75 HA LEU 75 -11.139 -7.997 -5.224 662 HB2 LEU 75 HB2 LEU 75 -9.169 -7.276 -7.329 663 HB3 LEU 75 HB3 LEU 75 -9.795 -8.913 -7.311 664 HG LEU 75 HG LEU 75 -11.062 -7.505 -8.848 665 HD11 LEU 75 HD11 LEU 75 -13.317 -7.951 -7.965 666 HD12 LEU 75 HD12 LEU 75 -12.604 -8.319 -6.392 667 HD13 LEU 75 HD13 LEU 75 -12.229 -9.327 -7.789 668 HD21 LEU 75 HD21 LEU 75 -11.743 -5.865 -6.410 669 HD22 LEU 75 HD22 LEU 75 -12.467 -5.681 -8.009 670 HD23 LEU 75 HD23 LEU 75 -10.751 -5.347 -7.775 671 H ARG 76 H ARG 76 -8.246 -7.644 -3.753 672 HA ARG 76 HA ARG 76 -7.845 -10.566 -3.661 673 HB2 ARG 76 HB2 ARG 76 -5.827 -8.453 -2.885 674 HB3 ARG 76 HB3 ARG 76 -5.555 -10.186 -2.971 675 HG2 ARG 76 HG2 ARG 76 -5.947 -8.252 -5.235 676 HG3 ARG 76 HG3 ARG 76 -4.546 -9.261 -4.885 677 HD2 ARG 76 HD2 ARG 76 -7.266 -10.233 -5.758 678 HD3 ARG 76 HD3 ARG 76 -5.832 -10.125 -6.776 679 HE ARG 76 HE ARG 76 -5.175 -11.735 -4.596 680 HH11 ARG 76 HH11 ARG 76 -7.381 -11.768 -7.320 681 HH12 ARG 76 HH12 ARG 76 -7.440 -13.497 -7.415 682 HH21 ARG 76 HH21 ARG 76 -5.227 -14.016 -4.739 683 HH22 ARG 76 HH22 ARG 76 -6.198 -14.784 -5.968 684 H GLN 77 H GLN 77 -9.736 -8.791 -2.241 685 HA GLN 77 HA GLN 77 -8.945 -8.244 0.392 686 HB2 GLN 77 HB2 GLN 77 -10.910 -7.269 -0.780 687 HB3 GLN 77 HB3 GLN 77 -11.727 -8.819 -0.645 688 HG2 GLN 77 HG2 GLN 77 -12.616 -7.572 1.089 689 HG3 GLN 77 HG3 GLN 77 -11.395 -8.567 1.875 690 HE21 GLN 77 HE21 GLN 77 -9.186 -6.926 0.866 691 HE22 GLN 77 HE22 GLN 77 -9.216 -5.472 1.789 692 H HIS 78 H HIS 78 -9.836 -11.223 -1.094 693 HA HIS 78 HA HIS 78 -10.780 -12.506 1.295 694 HB2 HIS 78 HB2 HIS 78 -11.498 -13.204 -0.967 695 HB3 HIS 78 HB3 HIS 78 -9.856 -13.735 -1.311 696 HD1 HIS 78 HD1 HIS 78 -9.428 -16.134 -0.884 697 HD2 HIS 78 HD2 HIS 78 -12.627 -14.696 1.353 698 HE1 HIS 78 HE1 HIS 78 -10.370 -18.130 0.322 699 HE2 HIS 78 HE2 HIS 78 -12.165 -17.197 1.823 700 H GLU 79 H GLU 79 -7.748 -12.535 -0.534 701 HA GLU 79 HA GLU 79 -6.534 -14.331 1.403 702 HB2 GLU 79 HB2 GLU 79 -4.532 -14.099 -0.137 703 HB3 GLU 79 HB3 GLU 79 -5.967 -14.844 -0.831 704 HG2 GLU 79 HG2 GLU 79 -6.550 -12.726 -1.891 705 HG3 GLU 79 HG3 GLU 79 -5.111 -11.984 -1.196 706 H LEU 80 H LEU 80 -6.380 -10.979 0.388 707 HA LEU 80 HA LEU 80 -4.370 -10.406 2.428 708 HB2 LEU 80 HB2 LEU 80 -4.160 -9.375 0.176 709 HB3 LEU 80 HB3 LEU 80 -5.694 -8.565 0.426 710 HG LEU 80 HG LEU 80 -4.686 -7.357 2.363 711 HD11 LEU 80 HD11 LEU 80 -2.117 -8.582 1.361 712 HD12 LEU 80 HD12 LEU 80 -2.909 -8.953 2.892 713 HD13 LEU 80 HD13 LEU 80 -2.258 -7.339 2.603 714 HD21 LEU 80 HD21 LEU 80 -3.257 -7.009 -0.270 715 HD22 LEU 80 HD22 LEU 80 -3.391 -5.801 1.011 716 HD23 LEU 80 HD23 LEU 80 -4.833 -6.334 0.144 717 HA PRO 81 HA PRO 81 -7.790 -9.949 5.270 718 HB2 PRO 81 HB2 PRO 81 -6.212 -8.672 7.192 719 HB3 PRO 81 HB3 PRO 81 -6.475 -10.412 7.060 720 HG2 PRO 81 HG2 PRO 81 -4.189 -8.758 6.087 721 HG3 PRO 81 HG3 PRO 81 -4.182 -10.392 6.777 722 HD2 PRO 81 HD2 PRO 81 -3.899 -10.007 4.150 723 HD3 PRO 81 HD3 PRO 81 -4.845 -11.374 4.779 724 H ALA 82 H ALA 82 -9.245 -8.384 5.539 725 HA ALA 82 HA ALA 82 -9.053 -5.876 4.352 726 HB1 ALA 82 HB1 ALA 82 -11.107 -5.329 5.537 727 HB2 ALA 82 HB2 ALA 82 -10.868 -6.706 6.613 728 HB3 ALA 82 HB3 ALA 82 -11.179 -6.972 4.897 729 H MET 83 H MET 83 -7.510 -4.489 4.887 730 HA MET 83 HA MET 83 -7.477 -3.407 7.583 731 HB2 MET 83 HB2 MET 83 -5.051 -3.557 7.787 732 HB3 MET 83 HB3 MET 83 -5.742 -5.165 7.615 733 HG2 MET 83 HG2 MET 83 -5.079 -5.240 5.293 734 HG3 MET 83 HG3 MET 83 -4.472 -3.588 5.388 735 HE1 MET 83 HE1 MET 83 -2.749 -6.024 4.272 736 HE2 MET 83 HE2 MET 83 -1.192 -5.685 5.031 737 HE3 MET 83 HE3 MET 83 -2.161 -4.365 4.373 738 H ASP 84 H ASP 84 -5.998 -1.438 7.611 739 HA ASP 84 HA ASP 84 -6.541 0.054 5.164 740 HB2 ASP 84 HB2 ASP 84 -6.037 0.861 8.018 741 HB3 ASP 84 HB3 ASP 84 -5.935 2.032 6.704 742 H PHE 85 H PHE 85 -4.976 1.204 4.070 743 HA PHE 85 HA PHE 85 -2.209 0.914 4.820 744 HB2 PHE 85 HB2 PHE 85 -1.627 -0.272 2.680 745 HB3 PHE 85 HB3 PHE 85 -2.493 -1.251 3.857 746 HD1 PHE 85 HD1 PHE 85 -2.684 0.413 0.598 747 HD2 PHE 85 HD2 PHE 85 -4.742 -2.010 3.429 748 HE1 PHE 85 HE1 PHE 85 -4.353 -0.170 -1.114 749 HE2 PHE 85 HE2 PHE 85 -6.412 -2.597 1.721 750 HZ PHE 85 HZ PHE 85 -6.217 -1.676 -0.554 751 H VAL 86 H VAL 86 -0.813 2.194 3.677 752 HA VAL 86 HA VAL 86 -2.058 4.117 1.830 753 HB VAL 86 HB VAL 86 -1.346 5.221 3.882 754 HG11 VAL 86 HG11 VAL 86 1.401 4.117 3.311 755 HG12 VAL 86 HG12 VAL 86 0.338 3.633 4.632 756 HG13 VAL 86 HG13 VAL 86 0.997 5.268 4.587 757 HG21 VAL 86 HG21 VAL 86 0.529 5.832 1.602 758 HG22 VAL 86 HG22 VAL 86 0.166 6.907 2.952 759 HG23 VAL 86 HG23 VAL 86 -1.102 6.469 1.807 760 H VAL 87 H VAL 87 -1.160 4.360 -0.144 761 HA VAL 87 HA VAL 87 1.194 2.685 -0.725 762 HB VAL 87 HB VAL 87 -0.920 3.581 -2.694 763 HG11 VAL 87 HG11 VAL 87 0.084 1.890 -4.156 764 HG12 VAL 87 HG12 VAL 87 1.301 1.554 -2.925 765 HG13 VAL 87 HG13 VAL 87 1.248 3.135 -3.705 766 HG21 VAL 87 HG21 VAL 87 -0.601 0.906 -1.335 767 HG22 VAL 87 HG22 VAL 87 -1.748 1.277 -2.623 768 HG23 VAL 87 HG23 VAL 87 -1.899 2.067 -1.052 769 H VAL 88 H VAL 88 2.953 3.904 -0.821 770 HA VAL 88 HA VAL 88 2.730 6.690 -1.673 771 HB VAL 88 HB VAL 88 5.140 5.245 -0.553 772 HG11 VAL 88 HG11 VAL 88 5.744 7.207 -1.843 773 HG12 VAL 88 HG12 VAL 88 5.988 7.517 -0.125 774 HG13 VAL 88 HG13 VAL 88 4.579 8.181 -0.949 775 HG21 VAL 88 HG21 VAL 88 3.133 7.014 0.842 776 HG22 VAL 88 HG22 VAL 88 4.615 6.380 1.559 777 HG23 VAL 88 HG23 VAL 88 3.328 5.275 1.074 778 H ALA 89 H ALA 89 2.714 6.837 -3.837 779 HA ALA 89 HA ALA 89 4.667 5.331 -5.400 780 HB1 ALA 89 HB1 ALA 89 2.358 5.433 -6.229 781 HB2 ALA 89 HB2 ALA 89 3.483 6.203 -7.349 782 HB3 ALA 89 HB3 ALA 89 2.467 7.192 -6.300 783 H LYS 90 H LYS 90 6.536 6.235 -6.063 784 HA LYS 90 HA LYS 90 6.926 9.046 -5.322 785 HB2 LYS 90 HB2 LYS 90 8.982 6.882 -5.794 786 HB3 LYS 90 HB3 LYS 90 9.309 8.512 -5.215 787 HG2 LYS 90 HG2 LYS 90 7.830 8.015 -3.252 788 HG3 LYS 90 HG3 LYS 90 7.777 6.342 -3.804 789 HD2 LYS 90 HD2 LYS 90 10.213 6.200 -3.596 790 HD3 LYS 90 HD3 LYS 90 10.261 7.875 -3.038 791 HE2 LYS 90 HE2 LYS 90 8.720 7.182 -1.173 792 HE3 LYS 90 HE3 LYS 90 8.985 5.513 -1.674 793 HZ1 LYS 90 HZ1 LYS 90 11.152 7.378 -0.889 794 HZ2 LYS 90 HZ2 LYS 90 11.301 5.714 -1.185 795 HZ3 LYS 90 HZ3 LYS 90 10.436 6.263 0.164 796 H LYS 91 H LYS 91 9.343 9.386 -6.808 797 HA LYS 91 HA LYS 91 8.089 10.377 -9.199 798 HB2 LYS 91 HB2 LYS 91 9.845 11.548 -7.706 799 HB3 LYS 91 HB3 LYS 91 11.021 10.559 -8.556 800 HG2 LYS 91 HG2 LYS 91 9.099 12.348 -10.007 801 HG3 LYS 91 HG3 LYS 91 10.646 12.925 -9.396 802 HD2 LYS 91 HD2 LYS 91 10.272 10.653 -11.348 803 HD3 LYS 91 HD3 LYS 91 10.764 12.294 -11.770 804 HE2 LYS 91 HE2 LYS 91 12.762 12.038 -10.361 805 HE3 LYS 91 HE3 LYS 91 12.273 10.388 -9.984 806 HZ1 LYS 91 HZ1 LYS 91 12.373 9.933 -12.414 807 HZ2 LYS 91 HZ2 LYS 91 13.875 10.295 -11.709 808 HZ3 LYS 91 HZ3 LYS 91 13.067 11.463 -12.626 809 H GLY 92 H GLY 92 7.826 9.118 -10.912 810 HA2 GLY 92 HA2 GLY 92 9.182 8.232 -12.814 811 HA3 GLY 92 HA3 GLY 92 10.013 7.258 -11.613 812 H VAL 93 H VAL 93 7.079 7.149 -10.411 813 HA VAL 93 HA VAL 93 6.566 4.513 -11.215 814 HB VAL 93 HB VAL 93 5.772 5.536 -9.099 815 HG11 VAL 93 HG11 VAL 93 4.989 7.660 -9.926 816 HG12 VAL 93 HG12 VAL 93 3.681 6.819 -9.099 817 HG13 VAL 93 HG13 VAL 93 3.722 6.865 -10.860 818 HG21 VAL 93 HG21 VAL 93 3.606 4.379 -9.023 819 HG22 VAL 93 HG22 VAL 93 4.848 3.412 -9.818 820 HG23 VAL 93 HG23 VAL 93 3.626 4.243 -10.783 821 H ALA 94 H ALA 94 5.725 7.493 -12.711 822 HA ALA 94 HA ALA 94 3.435 6.564 -14.154 823 HB1 ALA 94 HB1 ALA 94 3.578 8.678 -15.355 824 HB2 ALA 94 HB2 ALA 94 5.169 8.981 -14.656 825 HB3 ALA 94 HB3 ALA 94 3.745 8.932 -13.617 826 H ASP 95 H ASP 95 6.686 5.901 -14.468 827 HA ASP 95 HA ASP 95 6.873 5.846 -17.335 828 HB2 ASP 95 HB2 ASP 95 8.848 6.114 -15.838 829 HB3 ASP 95 HB3 ASP 95 8.615 4.460 -15.280 830 H LEU 96 H LEU 96 5.508 3.838 -14.968 831 HA LEU 96 HA LEU 96 5.743 1.364 -16.398 832 HB2 LEU 96 HB2 LEU 96 3.881 2.159 -14.156 833 HB3 LEU 96 HB3 LEU 96 4.098 0.527 -14.760 834 HG LEU 96 HG LEU 96 6.201 2.201 -13.385 835 HD11 LEU 96 HD11 LEU 96 5.998 0.546 -11.593 836 HD12 LEU 96 HD12 LEU 96 4.679 -0.233 -12.467 837 HD13 LEU 96 HD13 LEU 96 4.485 1.411 -11.859 838 HD21 LEU 96 HD21 LEU 96 7.185 0.748 -15.070 839 HD22 LEU 96 HD22 LEU 96 6.318 -0.635 -14.405 840 HD23 LEU 96 HD23 LEU 96 7.562 0.168 -13.448 841 H ASP 97 H ASP 97 4.728 0.997 -18.239 842 HA ASP 97 HA ASP 97 2.248 2.426 -18.814 843 HB2 ASP 97 HB2 ASP 97 4.140 0.890 -20.595 844 HB3 ASP 97 HB3 ASP 97 2.612 1.557 -21.155 845 H ASN 98 H ASN 98 1.132 0.756 -20.679 846 HA ASN 98 HA ASN 98 -0.725 -0.563 -19.190 847 HB2 ASN 98 HB2 ASN 98 0.101 -1.320 -21.995 848 HB3 ASN 98 HB3 ASN 98 -1.462 -1.626 -21.247 849 HD21 ASN 98 HD21 ASN 98 0.594 0.704 -22.751 850 HD22 ASN 98 HD22 ASN 98 -0.573 1.990 -22.852 851 H ARG 99 H ARG 99 2.144 -2.057 -20.694 852 HA ARG 99 HA ARG 99 1.357 -4.670 -19.700 853 HB2 ARG 99 HB2 ARG 99 2.581 -4.089 -21.936 854 HB3 ARG 99 HB3 ARG 99 4.024 -4.071 -20.933 855 HG2 ARG 99 HG2 ARG 99 3.736 -6.235 -21.994 856 HG3 ARG 99 HG3 ARG 99 3.575 -6.377 -20.241 857 HD2 ARG 99 HD2 ARG 99 1.863 -7.645 -21.590 858 HD3 ARG 99 HD3 ARG 99 1.205 -6.532 -20.388 859 HE ARG 99 HE ARG 99 1.498 -5.348 -22.989 860 HH11 ARG 99 HH11 ARG 99 -0.617 -7.326 -21.005 861 HH12 ARG 99 HH12 ARG 99 -2.052 -6.826 -21.843 862 HH21 ARG 99 HH21 ARG 99 -0.361 -4.707 -24.074 863 HH22 ARG 99 HH22 ARG 99 -1.906 -5.360 -23.618 864 H ALA 100 H ALA 100 3.703 -2.172 -18.997 865 HA ALA 100 HA ALA 100 5.394 -3.638 -17.304 866 HB1 ALA 100 HB1 ALA 100 6.182 -1.456 -16.510 867 HB2 ALA 100 HB2 ALA 100 4.822 -0.678 -17.320 868 HB3 ALA 100 HB3 ALA 100 6.052 -1.512 -18.268 869 H LEU 101 H LEU 101 2.490 -1.715 -16.612 870 HA LEU 101 HA LEU 101 2.732 -1.927 -13.797 871 HB2 LEU 101 HB2 LEU 101 0.354 -1.184 -13.747 872 HB3 LEU 101 HB3 LEU 101 1.430 -0.138 -14.646 873 HG LEU 101 HG LEU 101 0.553 -1.394 -16.735 874 HD11 LEU 101 HD11 LEU 101 -1.658 -2.013 -14.785 875 HD12 LEU 101 HD12 LEU 101 -0.606 -3.190 -15.569 876 HD13 LEU 101 HD13 LEU 101 -1.728 -2.232 -16.534 877 HD21 LEU 101 HD21 LEU 101 0.099 0.927 -16.340 878 HD22 LEU 101 HD22 LEU 101 -1.140 0.528 -15.150 879 HD23 LEU 101 HD23 LEU 101 -1.394 0.137 -16.852 880 H SER 102 H SER 102 1.651 -4.148 -16.169 881 HA SER 102 HA SER 102 0.034 -5.713 -14.360 882 HB2 SER 102 HB2 SER 102 1.116 -6.414 -17.104 883 HB3 SER 102 HB3 SER 102 -0.124 -7.304 -16.222 884 HG SER 102 HG SER 102 -0.610 -4.603 -16.541 885 H GLU 103 H GLU 103 3.268 -5.886 -15.780 886 HA GLU 103 HA GLU 103 3.918 -8.384 -14.545 887 HB2 GLU 103 HB2 GLU 103 5.641 -6.294 -15.884 888 HB3 GLU 103 HB3 GLU 103 6.233 -7.856 -15.330 889 HG2 GLU 103 HG2 GLU 103 4.079 -7.442 -17.392 890 HG3 GLU 103 HG3 GLU 103 5.767 -7.822 -17.734 891 H ALA 104 H ALA 104 4.107 -5.055 -13.611 892 HA ALA 104 HA ALA 104 5.896 -5.545 -11.401 893 HB1 ALA 104 HB1 ALA 104 5.485 -3.234 -10.791 894 HB2 ALA 104 HB2 ALA 104 4.159 -3.139 -11.949 895 HB3 ALA 104 HB3 ALA 104 5.814 -3.354 -12.519 896 H LEU 105 H LEU 105 2.475 -5.501 -11.979 897 HA LEU 105 HA LEU 105 1.555 -5.184 -9.336 898 HB2 LEU 105 HB2 LEU 105 0.222 -4.972 -11.479 899 HB3 LEU 105 HB3 LEU 105 0.194 -6.720 -11.552 900 HG LEU 105 HG LEU 105 -1.882 -5.560 -10.646 901 HD11 LEU 105 HD11 LEU 105 -0.604 -7.626 -8.870 902 HD12 LEU 105 HD12 LEU 105 -1.472 -7.964 -10.368 903 HD13 LEU 105 HD13 LEU 105 -2.325 -7.262 -8.991 904 HD21 LEU 105 HD21 LEU 105 -1.837 -4.959 -8.271 905 HD22 LEU 105 HD22 LEU 105 -0.782 -3.923 -9.232 906 HD23 LEU 105 HD23 LEU 105 -0.093 -5.212 -8.248 907 H GLU 106 H GLU 106 2.211 -8.084 -11.280 908 HA GLU 106 HA GLU 106 1.328 -9.967 -9.406 909 HB2 GLU 106 HB2 GLU 106 2.681 -11.599 -10.675 910 HB3 GLU 106 HB3 GLU 106 1.693 -10.584 -11.716 911 HG2 GLU 106 HG2 GLU 106 3.468 -9.883 -12.826 912 HG3 GLU 106 HG3 GLU 106 4.272 -9.395 -11.334 913 H LYS 107 H LYS 107 4.300 -8.172 -9.585 914 HA LYS 107 HA LYS 107 5.866 -9.847 -7.912 915 HB2 LYS 107 HB2 LYS 107 6.138 -6.852 -8.240 916 HB3 LYS 107 HB3 LYS 107 7.378 -7.971 -7.700 917 HG2 LYS 107 HG2 LYS 107 6.194 -7.784 -10.459 918 HG3 LYS 107 HG3 LYS 107 7.813 -7.295 -9.962 919 HD2 LYS 107 HD2 LYS 107 6.714 -10.102 -9.966 920 HD3 LYS 107 HD3 LYS 107 7.875 -9.430 -11.109 921 HE2 LYS 107 HE2 LYS 107 9.447 -9.068 -9.242 922 HE3 LYS 107 HE3 LYS 107 8.296 -9.842 -8.153 923 HZ1 LYS 107 HZ1 LYS 107 8.447 -11.825 -9.655 924 HZ2 LYS 107 HZ2 LYS 107 9.857 -11.476 -8.785 925 HZ3 LYS 107 HZ3 LYS 107 9.752 -11.070 -10.426 926 H LEU 108 H LEU 108 4.238 -6.747 -7.245 927 HA LEU 108 HA LEU 108 4.722 -6.899 -4.453 928 HB2 LEU 108 HB2 LEU 108 3.184 -4.961 -4.299 929 HB3 LEU 108 HB3 LEU 108 4.473 -4.750 -5.464 930 HG LEU 108 HG LEU 108 2.626 -5.575 -7.166 931 HD11 LEU 108 HD11 LEU 108 0.983 -4.374 -4.942 932 HD12 LEU 108 HD12 LEU 108 0.922 -6.045 -5.503 933 HD13 LEU 108 HD13 LEU 108 0.409 -4.739 -6.569 934 HD21 LEU 108 HD21 LEU 108 2.751 -2.797 -6.003 935 HD22 LEU 108 HD22 LEU 108 2.028 -3.224 -7.553 936 HD23 LEU 108 HD23 LEU 108 3.759 -3.444 -7.299 937 H TRP 109 H TRP 109 2.114 -7.952 -6.509 938 HA TRP 109 HA TRP 109 0.158 -8.431 -4.569 939 HB2 TRP 109 HB2 TRP 109 -0.518 -8.599 -6.831 940 HB3 TRP 109 HB3 TRP 109 0.766 -9.737 -7.220 941 HD1 TRP 109 HD1 TRP 109 -1.959 -9.947 -4.459 942 HE1 TRP 109 HE1 TRP 109 -3.184 -12.194 -4.721 943 HE3 TRP 109 HE3 TRP 109 0.398 -11.644 -8.666 944 HZ2 TRP 109 HZ2 TRP 109 -3.161 -14.388 -6.505 945 HZ3 TRP 109 HZ3 TRP 109 -0.267 -13.824 -9.590 946 HH2 TRP 109 HH2 TRP 109 -2.010 -15.166 -8.530 947 H ARG 110 H ARG 110 2.491 -10.771 -5.944 948 HA ARG 110 HA ARG 110 1.760 -12.779 -4.083 949 HB2 ARG 110 HB2 ARG 110 4.072 -12.522 -5.992 950 HB3 ARG 110 HB3 ARG 110 3.874 -13.917 -4.937 951 HG2 ARG 110 HG2 ARG 110 1.605 -14.247 -5.930 952 HG3 ARG 110 HG3 ARG 110 1.994 -12.973 -7.088 953 HD2 ARG 110 HD2 ARG 110 3.681 -15.433 -6.717 954 HD3 ARG 110 HD3 ARG 110 2.354 -15.346 -7.870 955 HE ARG 110 HE ARG 110 4.007 -13.172 -8.372 956 HH11 ARG 110 HH11 ARG 110 4.251 -16.662 -8.386 957 HH12 ARG 110 HH12 ARG 110 5.338 -16.714 -9.746 958 HH21 ARG 110 HH21 ARG 110 5.463 -13.224 -10.160 959 HH22 ARG 110 HH22 ARG 110 6.052 -14.766 -10.725 960 H ARG 111 H ARG 111 4.108 -10.219 -4.013 961 HA ARG 111 HA ARG 111 5.710 -11.151 -1.899 962 HB2 ARG 111 HB2 ARG 111 6.370 -9.230 -3.232 963 HB3 ARG 111 HB3 ARG 111 4.973 -8.321 -2.675 964 HG2 ARG 111 HG2 ARG 111 7.026 -7.622 -1.551 965 HG3 ARG 111 HG3 ARG 111 5.856 -8.294 -0.417 966 HD2 ARG 111 HD2 ARG 111 8.075 -9.109 0.100 967 HD3 ARG 111 HD3 ARG 111 7.058 -10.434 -0.463 968 HE ARG 111 HE ARG 111 8.651 -9.196 -2.528 969 HH11 ARG 111 HH11 ARG 111 8.522 -11.664 -0.050 970 HH12 ARG 111 HH12 ARG 111 9.799 -12.616 -0.753 971 HH21 ARG 111 HH21 ARG 111 10.298 -10.465 -3.483 972 HH22 ARG 111 HH22 ARG 111 10.809 -11.933 -2.712 973 H HIS 112 H HIS 112 2.606 -9.448 -1.923 974 HA HIS 112 HA HIS 112 2.546 -9.341 0.982 975 HB2 HIS 112 HB2 HIS 112 0.611 -8.445 -1.150 976 HB3 HIS 112 HB3 HIS 112 0.158 -8.477 0.551 977 HD1 HIS 112 HD1 HIS 112 0.947 -6.551 2.004 978 HD2 HIS 112 HD2 HIS 112 2.686 -6.555 -1.775 979 HE1 HIS 112 HE1 HIS 112 2.130 -4.345 1.801 980 HE2 HIS 112 HE2 HIS 112 3.334 -4.456 -0.409 981 H CYS 113 H CYS 113 1.157 -11.223 -1.626 982 HA CYS 113 HA CYS 113 -0.821 -12.580 -0.163 983 HB2 CYS 113 HB2 CYS 113 -0.648 -12.522 -2.652 984 HB3 CYS 113 HB3 CYS 113 0.731 -13.609 -2.549 985 HG CYS 113 HG CYS 113 -2.489 -14.310 -2.587 986 H ARG 114 H ARG 114 2.621 -13.200 -0.579 987 HA ARG 114 HA ARG 114 2.414 -15.595 1.090 988 HB2 ARG 114 HB2 ARG 114 4.494 -14.513 -0.759 989 HB3 ARG 114 HB3 ARG 114 4.995 -15.590 0.539 990 HG2 ARG 114 HG2 ARG 114 2.891 -16.249 -1.514 991 HG3 ARG 114 HG3 ARG 114 4.581 -16.761 -1.593 992 HD2 ARG 114 HD2 ARG 114 4.339 -17.979 0.485 993 HD3 ARG 114 HD3 ARG 114 2.686 -17.399 0.663 994 HE ARG 114 HE ARG 114 2.491 -18.653 -1.655 995 HH11 ARG 114 HH11 ARG 114 4.118 -19.658 1.286 996 HH12 ARG 114 HH12 ARG 114 3.829 -21.352 1.006 997 HH21 ARG 114 HH21 ARG 114 2.109 -20.887 -2.002 998 HH22 ARG 114 HH22 ARG 114 2.693 -22.044 -0.838 999 H LEU 115 H LEU 115 2.281 -12.619 1.888 1000 HA LEU 115 HA LEU 115 4.220 -12.853 4.097 1001 HB2 LEU 115 HB2 LEU 115 4.645 -10.928 2.604 1002 HB3 LEU 115 HB3 LEU 115 3.027 -10.339 2.925 1003 HG LEU 115 HG LEU 115 3.632 -10.050 5.314 1004 HD11 LEU 115 HD11 LEU 115 6.396 -10.798 4.366 1005 HD12 LEU 115 HD12 LEU 115 5.382 -11.737 5.460 1006 HD13 LEU 115 HD13 LEU 115 5.993 -10.159 5.958 1007 HD21 LEU 115 HD21 LEU 115 5.061 -8.090 4.981 1008 HD22 LEU 115 HD22 LEU 115 3.790 -8.176 3.760 1009 HD23 LEU 115 HD23 LEU 115 5.439 -8.644 3.349 1010 H ALA 116 H ALA 116 0.936 -12.196 3.128 1011 HA ALA 116 HA ALA 116 -0.009 -11.418 5.705 1012 HB1 ALA 116 HB1 ALA 116 -1.120 -10.699 3.655 1013 HB2 ALA 116 HB2 ALA 116 -2.232 -11.568 4.714 1014 HB3 ALA 116 HB3 ALA 116 -1.553 -12.370 3.298 1015 H ARG 117 H ARG 117 1.035 -14.358 4.628 1016 HA ARG 117 HA ARG 117 -0.940 -15.904 6.134 1017 HB2 ARG 117 HB2 ARG 117 1.396 -16.835 4.453 1018 HB3 ARG 117 HB3 ARG 117 0.219 -17.886 5.228 1019 HG2 ARG 117 HG2 ARG 117 -0.322 -15.895 3.036 1020 HG3 ARG 117 HG3 ARG 117 -0.298 -17.652 2.887 1021 HD2 ARG 117 HD2 ARG 117 -2.184 -17.779 4.477 1022 HD3 ARG 117 HD3 ARG 117 -2.226 -16.017 4.531 1023 HE ARG 117 HE ARG 117 -2.445 -17.102 1.873 1024 HH11 ARG 117 HH11 ARG 117 -4.200 -16.099 4.746 1025 HH12 ARG 117 HH12 ARG 117 -5.718 -15.951 3.907 1026 HH21 ARG 117 HH21 ARG 117 -4.451 -16.921 0.793 1027 HH22 ARG 117 HH22 ARG 117 -5.862 -16.444 1.680 1028 H GLY 118 H GLY 118 1.787 -14.217 6.774 1029 HA2 GLY 118 HA2 GLY 118 2.416 -15.952 9.076 1030 HA3 GLY 118 HA3 GLY 118 3.695 -15.203 8.128 1031 H SER 119 H SER 119 0.778 -14.398 9.972 1032 HA SER 119 HA SER 119 2.077 -11.876 10.753 1033 HB2 SER 119 HB2 SER 119 -0.886 -12.437 10.493 1034 HB3 SER 119 HB3 SER 119 -0.156 -10.895 10.939 1035 HG SER 119 HG SER 119 0.947 -11.777 8.661 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -13.415 -6.781 25.253 2 H2 MET 1 H2 MET 1 -12.273 -7.721 24.418 3 H3 MET 1 H3 MET 1 -13.791 -7.420 23.731 4 HA MET 1 HA MET 1 -13.317 -5.094 23.548 5 HB2 MET 1 HB2 MET 1 -10.682 -5.905 24.786 6 HB3 MET 1 HB3 MET 1 -10.917 -4.383 23.937 7 HG2 MET 1 HG2 MET 1 -12.415 -5.278 26.388 8 HG3 MET 1 HG3 MET 1 -11.097 -4.107 26.348 9 HE1 MET 1 HE1 MET 1 -12.676 -2.389 27.668 10 HE2 MET 1 HE2 MET 1 -13.992 -3.562 27.654 11 HE3 MET 1 HE3 MET 1 -14.275 -1.910 27.106 12 H VAL 2 H VAL 2 -11.129 -4.319 22.121 13 HA VAL 2 HA VAL 2 -11.487 -5.671 19.675 14 HB VAL 2 HB VAL 2 -9.224 -3.819 20.445 15 HG11 VAL 2 HG11 VAL 2 -9.105 -3.351 18.025 16 HG12 VAL 2 HG12 VAL 2 -10.301 -4.615 17.742 17 HG13 VAL 2 HG13 VAL 2 -8.723 -5.028 18.413 18 HG21 VAL 2 HG21 VAL 2 -10.604 -2.051 19.418 19 HG22 VAL 2 HG22 VAL 2 -11.348 -2.747 20.857 20 HG23 VAL 2 HG23 VAL 2 -11.926 -3.208 19.255 21 H LYS 3 H LYS 3 -10.755 -7.629 19.168 22 HA LYS 3 HA LYS 3 -8.549 -8.845 20.528 23 HB2 LYS 3 HB2 LYS 3 -8.928 -10.721 18.897 24 HB3 LYS 3 HB3 LYS 3 -10.328 -10.293 19.869 25 HG2 LYS 3 HG2 LYS 3 -11.256 -9.038 17.988 26 HG3 LYS 3 HG3 LYS 3 -9.847 -9.459 17.014 27 HD2 LYS 3 HD2 LYS 3 -10.417 -11.844 17.265 28 HD3 LYS 3 HD3 LYS 3 -11.853 -11.385 18.182 29 HE2 LYS 3 HE2 LYS 3 -12.666 -10.127 16.218 30 HE3 LYS 3 HE3 LYS 3 -11.254 -10.672 15.313 31 HZ1 LYS 3 HZ1 LYS 3 -13.452 -12.345 16.394 32 HZ2 LYS 3 HZ2 LYS 3 -12.016 -12.988 15.768 33 HZ3 LYS 3 HZ3 LYS 3 -13.052 -12.094 14.765 34 H LEU 4 H LEU 4 -7.015 -7.179 20.018 35 HA LEU 4 HA LEU 4 -5.322 -7.789 17.809 36 HB2 LEU 4 HB2 LEU 4 -7.216 -6.426 16.775 37 HB3 LEU 4 HB3 LEU 4 -6.674 -5.082 17.753 38 HG LEU 4 HG LEU 4 -4.892 -6.427 15.722 39 HD11 LEU 4 HD11 LEU 4 -5.484 -4.563 14.228 40 HD12 LEU 4 HD12 LEU 4 -6.708 -4.045 15.385 41 HD13 LEU 4 HD13 LEU 4 -6.862 -5.604 14.579 42 HD21 LEU 4 HD21 LEU 4 -3.719 -5.091 17.388 43 HD22 LEU 4 HD22 LEU 4 -4.791 -3.724 17.073 44 HD23 LEU 4 HD23 LEU 4 -3.682 -4.284 15.820 45 H ALA 5 H ALA 5 -6.182 -4.822 19.495 46 HA ALA 5 HA ALA 5 -4.382 -4.923 21.608 47 HB1 ALA 5 HB1 ALA 5 -3.337 -3.307 19.273 48 HB2 ALA 5 HB2 ALA 5 -2.611 -4.781 19.912 49 HB3 ALA 5 HB3 ALA 5 -2.663 -3.322 20.902 50 H PHE 6 H PHE 6 -6.049 -3.992 22.740 51 HA PHE 6 HA PHE 6 -7.362 -1.660 21.633 52 HB2 PHE 6 HB2 PHE 6 -8.786 -1.788 23.703 53 HB3 PHE 6 HB3 PHE 6 -8.852 -3.204 22.665 54 HD1 PHE 6 HD2 PHE 6 -7.681 -5.288 23.355 55 HD2 PHE 6 HD1 PHE 6 -8.044 -1.927 25.943 56 HE1 PHE 6 HE2 PHE 6 -7.160 -6.723 25.286 57 HE2 PHE 6 HE1 PHE 6 -7.531 -3.354 27.876 58 HZ PHE 6 HZ PHE 6 -7.086 -5.756 27.552 59 HA PRO 7 HA PRO 7 -4.376 0.975 23.580 60 HB2 PRO 7 HB2 PRO 7 -5.469 3.321 22.732 61 HB3 PRO 7 HB3 PRO 7 -4.488 2.278 21.698 62 HG2 PRO 7 HG2 PRO 7 -7.464 2.528 21.861 63 HG3 PRO 7 HG3 PRO 7 -6.427 2.377 20.429 64 HD2 PRO 7 HD2 PRO 7 -7.807 0.287 21.454 65 HD3 PRO 7 HD3 PRO 7 -6.236 0.093 20.652 66 H ARG 8 H ARG 8 -7.537 0.495 24.436 67 HA ARG 8 HA ARG 8 -8.108 2.655 26.138 68 HB2 ARG 8 HB2 ARG 8 -9.042 -0.214 26.176 69 HB3 ARG 8 HB3 ARG 8 -9.663 1.016 27.267 70 HG2 ARG 8 HG2 ARG 8 -10.394 2.322 25.290 71 HG3 ARG 8 HG3 ARG 8 -9.884 0.976 24.268 72 HD2 ARG 8 HD2 ARG 8 -12.324 1.007 24.822 73 HD3 ARG 8 HD3 ARG 8 -11.485 -0.483 25.253 74 HE ARG 8 HE ARG 8 -11.566 0.178 27.544 75 HH11 ARG 8 HH11 ARG 8 -13.499 2.164 25.387 76 HH12 ARG 8 HH12 ARG 8 -14.443 2.860 26.675 77 HH21 ARG 8 HH21 ARG 8 -12.801 1.079 29.225 78 HH22 ARG 8 HH22 ARG 8 -14.050 2.238 28.861 79 H GLU 9 H GLU 9 -6.094 -0.151 26.515 80 HA GLU 9 HA GLU 9 -5.900 -0.158 29.334 81 HB2 GLU 9 HB2 GLU 9 -3.787 -1.431 28.953 82 HB3 GLU 9 HB3 GLU 9 -5.176 -2.088 28.098 83 HG2 GLU 9 HG2 GLU 9 -4.412 -1.062 26.035 84 HG3 GLU 9 HG3 GLU 9 -3.044 -0.346 26.885 85 H LEU 10 H LEU 10 -4.462 1.808 26.883 86 HA LEU 10 HA LEU 10 -2.699 3.075 28.868 87 HB2 LEU 10 HB2 LEU 10 -2.633 3.243 25.852 88 HB3 LEU 10 HB3 LEU 10 -1.490 4.003 26.942 89 HG LEU 10 HG LEU 10 -1.866 1.024 26.613 90 HD11 LEU 10 HD11 LEU 10 0.344 1.092 25.560 91 HD12 LEU 10 HD12 LEU 10 0.340 2.853 25.672 92 HD13 LEU 10 HD13 LEU 10 -0.840 2.031 24.650 93 HD21 LEU 10 HD21 LEU 10 0.136 0.841 27.997 94 HD22 LEU 10 HD22 LEU 10 -1.168 1.645 28.871 95 HD23 LEU 10 HD23 LEU 10 0.161 2.592 28.203 96 H ARG 11 H ARG 11 -5.691 3.364 27.950 97 HA ARG 11 HA ARG 11 -7.265 4.987 27.836 98 HB2 ARG 11 HB2 ARG 11 -5.514 5.803 29.772 99 HB3 ARG 11 HB3 ARG 11 -5.509 7.193 28.697 100 HG2 ARG 11 HG2 ARG 11 -8.065 5.978 29.691 101 HG3 ARG 11 HG3 ARG 11 -7.180 7.186 30.622 102 HD2 ARG 11 HD2 ARG 11 -7.946 7.661 27.760 103 HD3 ARG 11 HD3 ARG 11 -9.071 7.986 29.079 104 HE ARG 11 HE ARG 11 -7.094 9.410 29.955 105 HH11 ARG 11 HH11 ARG 11 -7.947 9.002 26.584 106 HH12 ARG 11 HH12 ARG 11 -7.453 10.601 26.127 107 HH21 ARG 11 HH21 ARG 11 -6.397 11.495 29.358 108 HH22 ARG 11 HH22 ARG 11 -6.540 12.019 27.707 109 H LEU 12 H LEU 12 -5.530 4.477 25.568 110 HA LEU 12 HA LEU 12 -5.440 7.109 24.273 111 HB2 LEU 12 HB2 LEU 12 -4.264 4.470 23.390 112 HB3 LEU 12 HB3 LEU 12 -4.084 5.996 22.547 113 HG LEU 12 HG LEU 12 -2.999 5.361 25.292 114 HD11 LEU 12 HD11 LEU 12 -0.814 5.503 24.189 115 HD12 LEU 12 HD12 LEU 12 -1.619 5.713 22.634 116 HD13 LEU 12 HD13 LEU 12 -1.800 4.201 23.524 117 HD21 LEU 12 HD21 LEU 12 -3.624 7.705 25.090 118 HD22 LEU 12 HD22 LEU 12 -2.706 7.833 23.590 119 HD23 LEU 12 HD23 LEU 12 -1.871 7.521 25.111 120 H LEU 13 H LEU 13 -6.263 7.309 22.105 121 HA LEU 13 HA LEU 13 -8.467 5.447 21.515 122 HB2 LEU 13 HB2 LEU 13 -8.280 8.430 21.146 123 HB3 LEU 13 HB3 LEU 13 -9.447 7.463 20.271 124 HG LEU 13 HG LEU 13 -10.283 6.676 22.551 125 HD11 LEU 13 HD11 LEU 13 -8.400 7.390 23.904 126 HD12 LEU 13 HD12 LEU 13 -9.876 8.207 24.418 127 HD13 LEU 13 HD13 LEU 13 -8.685 9.069 23.444 128 HD21 LEU 13 HD21 LEU 13 -10.583 9.579 21.805 129 HD22 LEU 13 HD22 LEU 13 -11.690 8.642 22.807 130 HD23 LEU 13 HD23 LEU 13 -11.484 8.235 21.105 131 H THR 14 H THR 14 -9.090 6.302 18.961 132 HA THR 14 HA THR 14 -6.804 5.291 17.476 133 HB THR 14 HB THR 14 -9.526 6.093 16.424 134 HG1 THR 14 HG1 THR 14 -9.039 4.183 18.103 135 HG21 THR 14 HG21 THR 14 -7.797 5.901 14.705 136 HG22 THR 14 HG22 THR 14 -8.960 4.580 14.571 137 HG23 THR 14 HG23 THR 14 -7.377 4.292 15.294 138 HA PRO 15 HA PRO 15 -5.815 9.598 16.539 139 HB2 PRO 15 HB2 PRO 15 -3.228 9.218 15.991 140 HB3 PRO 15 HB3 PRO 15 -3.824 9.120 17.652 141 HG2 PRO 15 HG2 PRO 15 -3.129 6.923 15.755 142 HG3 PRO 15 HG3 PRO 15 -2.824 7.035 17.496 143 HD2 PRO 15 HD2 PRO 15 -4.917 5.638 16.325 144 HD3 PRO 15 HD3 PRO 15 -4.870 6.177 18.014 145 H SER 16 H SER 16 -3.990 10.218 14.571 146 HA SER 16 HA SER 16 -5.414 9.757 12.171 147 HB2 SER 16 HB2 SER 16 -2.550 10.696 12.451 148 HB3 SER 16 HB3 SER 16 -3.644 11.004 11.102 149 HG SER 16 HG SER 16 -3.570 12.153 13.651 150 H GLN 17 H GLN 17 -5.461 7.958 11.015 151 HA GLN 17 HA GLN 17 -4.011 5.671 11.634 152 HB2 GLN 17 HB2 GLN 17 -4.870 4.746 9.506 153 HB3 GLN 17 HB3 GLN 17 -6.114 5.533 10.467 154 HG2 GLN 17 HG2 GLN 17 -6.019 7.486 9.039 155 HG3 GLN 17 HG3 GLN 17 -4.707 6.765 8.111 156 HE21 GLN 17 HE21 GLN 17 -5.881 4.098 8.201 157 HE22 GLN 17 HE22 GLN 17 -7.209 4.109 7.088 158 H PHE 18 H PHE 18 -3.287 8.152 9.228 159 HA PHE 18 HA PHE 18 -1.241 6.731 7.900 160 HB2 PHE 18 HB2 PHE 18 -2.340 8.739 6.955 161 HB3 PHE 18 HB3 PHE 18 -1.568 9.729 8.188 162 HD1 PHE 18 HD1 PHE 18 -1.006 7.695 5.186 163 HD2 PHE 18 HD2 PHE 18 0.721 10.377 7.999 164 HE1 PHE 18 HE1 PHE 18 0.953 7.959 3.726 165 HE2 PHE 18 HE2 PHE 18 2.683 10.649 6.540 166 HZ PHE 18 HZ PHE 18 2.800 9.437 4.401 167 H THR 19 H THR 19 -1.183 9.032 10.599 168 HA THR 19 HA THR 19 1.641 9.037 10.874 169 HB THR 19 HB THR 19 -0.390 9.719 13.007 170 HG1 THR 19 HG1 THR 19 0.317 11.932 11.882 171 HG21 THR 19 HG21 THR 19 2.402 10.755 12.480 172 HG22 THR 19 HG22 THR 19 1.963 9.601 13.739 173 HG23 THR 19 HG23 THR 19 1.339 11.249 13.799 174 H PHE 20 H PHE 20 -0.874 6.922 11.932 175 HA PHE 20 HA PHE 20 0.634 5.689 14.044 176 HB2 PHE 20 HB2 PHE 20 -1.848 5.734 14.038 177 HB3 PHE 20 HB3 PHE 20 -1.845 4.699 12.615 178 HD1 PHE 20 HD2 PHE 20 -1.204 4.861 16.217 179 HD2 PHE 20 HD1 PHE 20 -1.367 2.350 12.785 180 HE1 PHE 20 HE2 PHE 20 -1.171 2.875 17.667 181 HE2 PHE 20 HE1 PHE 20 -1.334 0.363 14.230 182 HZ PHE 20 HZ PHE 20 -1.234 0.624 16.676 183 H VAL 21 H VAL 21 -0.223 4.840 10.696 184 HA VAL 21 HA VAL 21 1.181 2.349 10.822 185 HB VAL 21 HB VAL 21 0.760 2.139 8.433 186 HG11 VAL 21 HG11 VAL 21 -1.631 3.187 9.935 187 HG12 VAL 21 HG12 VAL 21 -1.018 1.533 9.974 188 HG13 VAL 21 HG13 VAL 21 -1.685 2.194 8.480 189 HG21 VAL 21 HG21 VAL 21 1.129 4.444 7.741 190 HG22 VAL 21 HG22 VAL 21 -0.335 4.945 8.587 191 HG23 VAL 21 HG23 VAL 21 -0.447 3.873 7.193 192 H PHE 22 H PHE 22 2.051 5.599 10.081 193 HA PHE 22 HA PHE 22 4.345 4.998 8.490 194 HB2 PHE 22 HB2 PHE 22 3.073 7.178 8.482 195 HB3 PHE 22 HB3 PHE 22 3.812 7.538 10.037 196 HD1 PHE 22 HD1 PHE 22 4.715 6.613 6.547 197 HD2 PHE 22 HD2 PHE 22 5.814 8.684 10.100 198 HE1 PHE 22 HE1 PHE 22 6.671 7.556 5.389 199 HE2 PHE 22 HE2 PHE 22 7.772 9.626 8.947 200 HZ PHE 22 HZ PHE 22 8.201 9.064 6.590 201 H GLN 23 H GLN 23 3.708 4.884 11.832 202 HA GLN 23 HA GLN 23 6.226 5.441 12.923 203 HB2 GLN 23 HB2 GLN 23 4.116 3.473 13.830 204 HB3 GLN 23 HB3 GLN 23 5.524 3.925 14.784 205 HG2 GLN 23 HG2 GLN 23 4.774 6.217 14.876 206 HG3 GLN 23 HG3 GLN 23 3.403 5.838 13.833 207 HE21 GLN 23 HE21 GLN 23 1.921 6.501 15.357 208 HE22 GLN 23 HE22 GLN 23 1.590 5.599 16.793 209 H GLN 24 H GLN 24 4.839 2.304 11.997 210 HA GLN 24 HA GLN 24 7.283 1.460 10.800 211 HB2 GLN 24 HB2 GLN 24 7.727 1.060 13.249 212 HB3 GLN 24 HB3 GLN 24 6.392 -0.086 13.240 213 HG2 GLN 24 HG2 GLN 24 7.542 -1.456 11.603 214 HG3 GLN 24 HG3 GLN 24 8.864 -0.292 11.536 215 HE21 GLN 24 HE21 GLN 24 7.324 -2.784 13.395 216 HE22 GLN 24 HE22 GLN 24 8.627 -3.021 14.522 217 HA PRO 25 HA PRO 25 3.721 -0.697 9.056 218 HB2 PRO 25 HB2 PRO 25 4.126 0.030 6.521 219 HB3 PRO 25 HB3 PRO 25 3.467 1.165 7.704 220 HG2 PRO 25 HG2 PRO 25 6.174 1.047 6.506 221 HG3 PRO 25 HG3 PRO 25 5.277 2.443 7.123 222 HD2 PRO 25 HD2 PRO 25 7.305 0.933 8.456 223 HD3 PRO 25 HD3 PRO 25 6.351 2.280 9.109 224 H GLN 26 H GLN 26 3.619 -2.253 7.144 225 HA GLN 26 HA GLN 26 6.002 -3.931 7.066 226 HB2 GLN 26 HB2 GLN 26 3.279 -4.389 5.818 227 HB3 GLN 26 HB3 GLN 26 4.574 -5.569 5.943 228 HG2 GLN 26 HG2 GLN 26 3.139 -4.321 8.274 229 HG3 GLN 26 HG3 GLN 26 2.790 -5.909 7.597 230 HE21 GLN 26 HE21 GLN 26 5.626 -6.479 7.104 231 HE22 GLN 26 HE22 GLN 26 6.301 -6.852 8.654 232 H ARG 27 H ARG 27 7.471 -2.999 5.727 233 HA ARG 27 HA ARG 27 6.726 -1.701 3.281 234 HB2 ARG 27 HB2 ARG 27 8.807 -1.339 4.838 235 HB3 ARG 27 HB3 ARG 27 9.510 -2.644 3.901 236 HG2 ARG 27 HG2 ARG 27 8.473 -0.058 2.750 237 HG3 ARG 27 HG3 ARG 27 10.162 -0.405 3.109 238 HD2 ARG 27 HD2 ARG 27 10.020 -2.333 1.526 239 HD3 ARG 27 HD3 ARG 27 8.404 -1.782 1.084 240 HE ARG 27 HE ARG 27 10.828 -0.125 0.719 241 HH11 ARG 27 HH11 ARG 27 7.802 -1.427 -0.482 242 HH12 ARG 27 HH12 ARG 27 7.847 -0.513 -1.955 243 HH21 ARG 27 HH21 ARG 27 10.869 1.106 -1.209 244 HH22 ARG 27 HH22 ARG 27 9.581 0.921 -2.366 245 H ALA 28 H ALA 28 5.797 -3.019 1.794 246 HA ALA 28 HA ALA 28 7.478 -5.187 0.751 247 HB1 ALA 28 HB1 ALA 28 5.790 -6.221 2.197 248 HB2 ALA 28 HB2 ALA 28 5.556 -6.660 0.504 249 HB3 ALA 28 HB3 ALA 28 4.516 -5.447 1.252 250 H GLY 29 H GLY 29 7.977 -4.541 -1.226 251 HA2 GLY 29 HA2 GLY 29 6.519 -4.470 -3.442 252 HA3 GLY 29 HA3 GLY 29 6.136 -2.890 -2.768 253 H THR 30 H THR 30 7.183 -2.319 -4.938 254 HA THR 30 HA THR 30 10.096 -2.407 -4.846 255 HB THR 30 HB THR 30 9.953 -1.362 -7.119 256 HG1 THR 30 HG1 THR 30 7.566 -1.756 -7.898 257 HG21 THR 30 HG21 THR 30 10.091 -3.800 -6.847 258 HG22 THR 30 HG22 THR 30 9.131 -3.355 -8.259 259 HG23 THR 30 HG23 THR 30 8.330 -3.886 -6.780 260 HA PRO 31 HA PRO 31 10.816 1.838 -3.664 261 HB2 PRO 31 HB2 PRO 31 11.948 2.432 -6.347 262 HB3 PRO 31 HB3 PRO 31 12.665 2.653 -4.747 263 HG2 PRO 31 HG2 PRO 31 13.462 0.668 -6.332 264 HG3 PRO 31 HG3 PRO 31 13.304 0.431 -4.581 265 HD2 PRO 31 HD2 PRO 31 11.492 -0.448 -6.788 266 HD3 PRO 31 HD3 PRO 31 11.941 -1.293 -5.292 267 H GLN 32 H GLN 32 9.743 1.616 -7.064 268 HA GLN 32 HA GLN 32 8.662 4.190 -7.249 269 HB2 GLN 32 HB2 GLN 32 7.997 1.657 -8.745 270 HB3 GLN 32 HB3 GLN 32 7.246 3.198 -9.118 271 HG2 GLN 32 HG2 GLN 32 8.924 3.179 -10.645 272 HG3 GLN 32 HG3 GLN 32 9.721 4.015 -9.316 273 HE21 GLN 32 HE21 GLN 32 10.873 2.515 -11.508 274 HE22 GLN 32 HE22 GLN 32 11.825 1.260 -10.792 275 H ILE 33 H ILE 33 7.061 1.118 -6.444 276 HA ILE 33 HA ILE 33 4.801 2.714 -5.457 277 HB ILE 33 HB ILE 33 4.042 1.386 -7.291 278 HG12 ILE 33 HG12 ILE 33 3.195 0.049 -4.715 279 HG13 ILE 33 HG13 ILE 33 2.538 1.555 -5.348 280 HG21 ILE 33 HG21 ILE 33 4.213 -1.065 -7.334 281 HG22 ILE 33 HG22 ILE 33 5.231 -1.001 -5.895 282 HG23 ILE 33 HG23 ILE 33 5.786 -0.271 -7.401 283 HD11 ILE 33 HD11 ILE 33 1.700 0.353 -7.310 284 HD12 ILE 33 HD12 ILE 33 1.050 -0.301 -5.806 285 HD13 ILE 33 HD13 ILE 33 2.344 -1.153 -6.651 286 H THR 34 H THR 34 5.227 3.001 -3.379 287 HA THR 34 HA THR 34 6.263 0.765 -1.799 288 HB THR 34 HB THR 34 6.011 3.676 -1.009 289 HG1 THR 34 HG1 THR 34 7.480 3.127 -2.835 290 HG21 THR 34 HG21 THR 34 7.634 3.083 0.734 291 HG22 THR 34 HG22 THR 34 7.602 1.404 0.196 292 HG23 THR 34 HG23 THR 34 6.155 2.135 0.892 293 H ILE 35 H ILE 35 4.496 -0.471 -1.293 294 HA ILE 35 HA ILE 35 2.072 0.748 -0.287 295 HB ILE 35 HB ILE 35 2.800 -2.190 -0.371 296 HG12 ILE 35 HG12 ILE 35 1.003 -2.050 -2.301 297 HG13 ILE 35 HG13 ILE 35 1.540 -0.378 -2.399 298 HG21 ILE 35 HG21 ILE 35 0.392 -2.567 -0.129 299 HG22 ILE 35 HG22 ILE 35 0.135 -0.828 0.007 300 HG23 ILE 35 HG23 ILE 35 1.056 -1.683 1.244 301 HD11 ILE 35 HD11 ILE 35 3.805 -1.106 -2.844 302 HD12 ILE 35 HD12 ILE 35 2.687 -1.831 -3.998 303 HD13 ILE 35 HD13 ILE 35 3.318 -2.791 -2.661 304 H LEU 36 H LEU 36 1.912 1.413 1.738 305 HA LEU 36 HA LEU 36 3.504 0.032 3.803 306 HB2 LEU 36 HB2 LEU 36 2.525 2.891 3.762 307 HB3 LEU 36 HB3 LEU 36 3.423 2.143 5.069 308 HG LEU 36 HG LEU 36 4.460 2.618 2.274 309 HD11 LEU 36 HD11 LEU 36 4.235 4.686 3.509 310 HD12 LEU 36 HD12 LEU 36 5.938 4.247 3.372 311 HD13 LEU 36 HD13 LEU 36 5.079 3.983 4.888 312 HD21 LEU 36 HD21 LEU 36 5.408 0.604 3.308 313 HD22 LEU 36 HD22 LEU 36 5.881 1.558 4.715 314 HD23 LEU 36 HD23 LEU 36 6.607 1.885 3.141 315 H GLY 37 H GLY 37 2.466 -0.837 5.493 316 HA2 GLY 37 HA2 GLY 37 -0.187 0.079 6.233 317 HA3 GLY 37 HA3 GLY 37 -0.092 -1.573 5.639 318 H ARG 38 H ARG 38 -0.758 -0.441 8.321 319 HA ARG 38 HA ARG 38 0.965 -2.239 9.840 320 HB2 ARG 38 HB2 ARG 38 2.015 -0.095 10.210 321 HB3 ARG 38 HB3 ARG 38 0.467 0.654 10.565 322 HG2 ARG 38 HG2 ARG 38 0.280 -0.552 12.623 323 HG3 ARG 38 HG3 ARG 38 1.705 -1.519 12.241 324 HD2 ARG 38 HD2 ARG 38 3.130 0.400 12.402 325 HD3 ARG 38 HD3 ARG 38 1.744 1.480 12.554 326 HE ARG 38 HE ARG 38 1.387 0.651 14.753 327 HH11 ARG 38 HH11 ARG 38 4.307 -0.599 13.268 328 HH12 ARG 38 HH12 ARG 38 5.062 -0.974 14.790 329 HH21 ARG 38 HH21 ARG 38 2.392 0.189 16.754 330 HH22 ARG 38 HH22 ARG 38 3.985 -0.508 16.761 331 H LEU 39 H LEU 39 -0.079 -3.257 11.508 332 HA LEU 39 HA LEU 39 -2.859 -3.542 11.201 333 HB2 LEU 39 HB2 LEU 39 -1.270 -5.302 11.989 334 HB3 LEU 39 HB3 LEU 39 -1.170 -4.463 13.525 335 HG LEU 39 HG LEU 39 -3.569 -4.842 13.891 336 HD11 LEU 39 HD11 LEU 39 -4.263 -4.893 11.533 337 HD12 LEU 39 HD12 LEU 39 -4.832 -6.306 12.421 338 HD13 LEU 39 HD13 LEU 39 -3.447 -6.445 11.338 339 HD21 LEU 39 HD21 LEU 39 -3.447 -7.260 14.256 340 HD22 LEU 39 HD22 LEU 39 -1.956 -6.459 14.749 341 HD23 LEU 39 HD23 LEU 39 -2.021 -7.344 13.225 342 H ASN 40 H ASN 40 -4.317 -2.133 11.773 343 HA ASN 40 HA ASN 40 -4.270 -0.941 14.440 344 HB2 ASN 40 HB2 ASN 40 -3.213 0.699 12.888 345 HB3 ASN 40 HB3 ASN 40 -4.660 0.661 11.889 346 HD21 ASN 40 HD21 ASN 40 -5.007 2.854 12.146 347 HD22 ASN 40 HD22 ASN 40 -5.586 3.532 13.624 348 H SER 41 H SER 41 -6.470 0.151 14.848 349 HA SER 41 HA SER 41 -8.528 -1.704 14.183 350 HB2 SER 41 HB2 SER 41 -8.435 -0.478 16.345 351 HB3 SER 41 HB3 SER 41 -8.781 1.022 15.483 352 HG SER 41 HG SER 41 -10.809 0.504 15.498 353 H LEU 42 H LEU 42 -8.566 -1.641 11.906 354 HA LEU 42 HA LEU 42 -9.933 0.720 10.792 355 HB2 LEU 42 HB2 LEU 42 -8.044 -1.162 9.369 356 HB3 LEU 42 HB3 LEU 42 -8.879 0.192 8.634 357 HG LEU 42 HG LEU 42 -6.814 0.423 10.827 358 HD11 LEU 42 HD11 LEU 42 -5.818 -0.339 8.743 359 HD12 LEU 42 HD12 LEU 42 -5.368 1.333 9.079 360 HD13 LEU 42 HD13 LEU 42 -6.605 0.976 7.872 361 HD21 LEU 42 HD21 LEU 42 -8.167 2.532 9.149 362 HD22 LEU 42 HD22 LEU 42 -6.868 2.812 10.307 363 HD23 LEU 42 HD23 LEU 42 -8.439 2.241 10.868 364 H GLY 43 H GLY 43 -9.296 -2.659 9.854 365 HA2 GLY 43 HA2 GLY 43 -10.706 -4.377 9.298 366 HA3 GLY 43 HA3 GLY 43 -11.915 -3.574 10.284 367 H HIS 44 H HIS 44 -10.454 -2.067 7.482 368 HA HIS 44 HA HIS 44 -12.904 -2.566 5.943 369 HB2 HIS 44 HB2 HIS 44 -11.622 0.141 6.393 370 HB3 HIS 44 HB3 HIS 44 -12.841 -0.177 5.164 371 HD1 HIS 44 HD1 HIS 44 -12.616 1.250 8.355 372 HD2 HIS 44 HD2 HIS 44 -15.255 -1.448 6.616 373 HE1 HIS 44 HE1 HIS 44 -14.699 1.348 9.757 374 HE2 HIS 44 HE2 HIS 44 -16.186 -0.453 8.817 375 HA PRO 45 HA PRO 45 -9.686 -3.480 2.960 376 HB2 PRO 45 HB2 PRO 45 -11.854 -4.073 1.111 377 HB3 PRO 45 HB3 PRO 45 -10.672 -5.174 1.822 378 HG2 PRO 45 HG2 PRO 45 -13.312 -5.208 2.467 379 HG3 PRO 45 HG3 PRO 45 -12.031 -5.696 3.591 380 HD2 PRO 45 HD2 PRO 45 -13.552 -3.123 3.448 381 HD3 PRO 45 HD3 PRO 45 -13.037 -4.051 4.874 382 H ARG 46 H ARG 46 -8.925 -1.434 2.502 383 HA ARG 46 HA ARG 46 -10.144 -0.119 0.208 384 HB2 ARG 46 HB2 ARG 46 -11.162 0.942 2.192 385 HB3 ARG 46 HB3 ARG 46 -9.559 1.325 2.803 386 HG2 ARG 46 HG2 ARG 46 -9.164 2.808 0.939 387 HG3 ARG 46 HG3 ARG 46 -10.709 2.357 0.217 388 HD2 ARG 46 HD2 ARG 46 -10.887 4.494 1.357 389 HD3 ARG 46 HD3 ARG 46 -11.883 3.278 2.155 390 HE ARG 46 HE ARG 46 -9.373 3.332 3.413 391 HH11 ARG 46 HH11 ARG 46 -12.187 5.403 3.006 392 HH12 ARG 46 HH12 ARG 46 -11.933 6.229 4.512 393 HH21 ARG 46 HH21 ARG 46 -9.082 4.379 5.392 394 HH22 ARG 46 HH22 ARG 46 -10.167 5.662 5.860 395 H ILE 47 H ILE 47 -8.670 0.659 -1.153 396 HA ILE 47 HA ILE 47 -5.878 0.335 -0.474 397 HB ILE 47 HB ILE 47 -6.546 -0.466 -2.638 398 HG12 ILE 47 HG12 ILE 47 -4.918 2.072 -2.887 399 HG13 ILE 47 HG13 ILE 47 -4.304 0.465 -2.506 400 HG21 ILE 47 HG21 ILE 47 -8.511 0.919 -2.988 401 HG22 ILE 47 HG22 ILE 47 -7.441 0.986 -4.389 402 HG23 ILE 47 HG23 ILE 47 -7.485 2.330 -3.247 403 HD11 ILE 47 HD11 ILE 47 -3.867 1.056 -4.821 404 HD12 ILE 47 HD12 ILE 47 -5.595 1.284 -5.098 405 HD13 ILE 47 HD13 ILE 47 -4.966 -0.319 -4.713 406 H GLY 48 H GLY 48 -4.741 1.900 0.417 407 HA2 GLY 48 HA2 GLY 48 -5.739 4.633 0.394 408 HA3 GLY 48 HA3 GLY 48 -4.399 4.013 1.352 409 H LEU 49 H LEU 49 -5.148 4.181 -2.113 410 HA LEU 49 HA LEU 49 -2.475 4.485 -2.933 411 HB2 LEU 49 HB2 LEU 49 -4.202 3.681 -4.438 412 HB3 LEU 49 HB3 LEU 49 -5.051 5.209 -4.328 413 HG LEU 49 HG LEU 49 -3.100 6.318 -5.412 414 HD11 LEU 49 HD11 LEU 49 -1.381 4.696 -4.815 415 HD12 LEU 49 HD12 LEU 49 -1.455 4.928 -6.561 416 HD13 LEU 49 HD13 LEU 49 -2.159 3.485 -5.835 417 HD21 LEU 49 HD21 LEU 49 -5.052 5.694 -6.703 418 HD22 LEU 49 HD22 LEU 49 -4.404 4.071 -6.937 419 HD23 LEU 49 HD23 LEU 49 -3.587 5.459 -7.655 420 H THR 50 H THR 50 -1.208 6.139 -2.484 421 HA THR 50 HA THR 50 -2.407 8.817 -2.319 422 HB THR 50 HB THR 50 0.205 7.865 -1.120 423 HG1 THR 50 HG1 THR 50 -1.714 6.956 -0.142 424 HG21 THR 50 HG21 THR 50 0.186 10.269 -1.600 425 HG22 THR 50 HG22 THR 50 0.122 9.975 0.139 426 HG23 THR 50 HG23 THR 50 -1.341 10.436 -0.735 427 H VAL 51 H VAL 51 -2.325 9.314 -4.481 428 HA VAL 51 HA VAL 51 0.358 9.517 -5.655 429 HB VAL 51 HB VAL 51 -0.994 8.111 -7.037 430 HG11 VAL 51 HG11 VAL 51 -3.139 8.792 -7.978 431 HG12 VAL 51 HG12 VAL 51 -3.068 10.296 -7.062 432 HG13 VAL 51 HG13 VAL 51 -3.197 8.755 -6.216 433 HG21 VAL 51 HG21 VAL 51 -0.888 10.860 -8.267 434 HG22 VAL 51 HG22 VAL 51 -1.033 9.339 -9.146 435 HG23 VAL 51 HG23 VAL 51 0.432 9.690 -8.227 436 H ALA 52 H ALA 52 1.107 11.471 -5.190 437 HA ALA 52 HA ALA 52 -0.709 13.736 -5.029 438 HB1 ALA 52 HB1 ALA 52 0.943 13.351 -3.244 439 HB2 ALA 52 HB2 ALA 52 1.137 14.924 -4.015 440 HB3 ALA 52 HB3 ALA 52 2.241 13.605 -4.410 441 H LYS 53 H LYS 53 0.274 15.861 -5.835 442 HA LYS 53 HA LYS 53 0.324 15.899 -8.609 443 HB2 LYS 53 HB2 LYS 53 1.143 18.240 -8.347 444 HB3 LYS 53 HB3 LYS 53 -0.246 17.862 -7.335 445 HG2 LYS 53 HG2 LYS 53 1.255 17.534 -5.420 446 HG3 LYS 53 HG3 LYS 53 2.628 17.960 -6.440 447 HD2 LYS 53 HD2 LYS 53 0.280 19.773 -5.914 448 HD3 LYS 53 HD3 LYS 53 1.792 19.822 -5.007 449 HE2 LYS 53 HE2 LYS 53 3.007 20.291 -7.090 450 HE3 LYS 53 HE3 LYS 53 1.482 20.274 -7.977 451 HZ1 LYS 53 HZ1 LYS 53 2.137 22.527 -7.467 452 HZ2 LYS 53 HZ2 LYS 53 2.228 22.165 -5.813 453 HZ3 LYS 53 HZ3 LYS 53 0.728 22.132 -6.604 454 H LYS 54 H LYS 54 2.945 15.407 -6.376 455 HA LYS 54 HA LYS 54 4.937 15.977 -8.425 456 HB2 LYS 54 HB2 LYS 54 6.577 15.776 -6.601 457 HB3 LYS 54 HB3 LYS 54 5.327 16.953 -6.241 458 HG2 LYS 54 HG2 LYS 54 5.347 15.920 -4.243 459 HG3 LYS 54 HG3 LYS 54 4.249 14.807 -5.059 460 HD2 LYS 54 HD2 LYS 54 5.964 13.571 -3.858 461 HD3 LYS 54 HD3 LYS 54 6.160 13.350 -5.598 462 HE2 LYS 54 HE2 LYS 54 8.315 13.707 -4.545 463 HE3 LYS 54 HE3 LYS 54 7.922 15.058 -5.606 464 HZ1 LYS 54 HZ1 LYS 54 8.799 15.942 -3.602 465 HZ2 LYS 54 HZ2 LYS 54 7.781 14.992 -2.641 466 HZ3 LYS 54 HZ3 LYS 54 7.132 16.252 -3.571 467 H ASN 55 H ASN 55 3.111 13.413 -7.699 468 HA ASN 55 HA ASN 55 5.154 11.359 -7.841 469 HB2 ASN 55 HB2 ASN 55 2.133 11.204 -7.893 470 HB3 ASN 55 HB3 ASN 55 3.187 9.800 -7.963 471 HD21 ASN 55 HD21 ASN 55 2.264 9.000 -6.079 472 HD22 ASN 55 HD22 ASN 55 2.666 9.639 -4.527 473 H VAL 56 H VAL 56 2.509 12.576 -9.853 474 HA VAL 56 HA VAL 56 4.006 11.702 -12.228 475 HB VAL 56 HB VAL 56 0.991 11.532 -11.988 476 HG11 VAL 56 HG11 VAL 56 2.873 10.587 -14.144 477 HG12 VAL 56 HG12 VAL 56 1.796 11.978 -14.240 478 HG13 VAL 56 HG13 VAL 56 1.126 10.352 -14.121 479 HG21 VAL 56 HG21 VAL 56 1.968 9.815 -10.588 480 HG22 VAL 56 HG22 VAL 56 3.034 9.312 -11.899 481 HG23 VAL 56 HG23 VAL 56 1.292 9.082 -12.041 482 H ARG 57 H ARG 57 4.518 13.464 -13.354 483 HA ARG 57 HA ARG 57 3.416 16.010 -12.872 484 HB2 ARG 57 HB2 ARG 57 5.701 15.539 -13.803 485 HB3 ARG 57 HB3 ARG 57 4.936 15.145 -15.336 486 HG2 ARG 57 HG2 ARG 57 4.070 17.404 -15.512 487 HG3 ARG 57 HG3 ARG 57 4.767 17.810 -13.943 488 HD2 ARG 57 HD2 ARG 57 6.198 18.635 -15.703 489 HD3 ARG 57 HD3 ARG 57 7.008 17.324 -14.845 490 HE ARG 57 HE ARG 57 5.577 16.456 -17.185 491 HH11 ARG 57 HH11 ARG 57 8.611 17.754 -15.983 492 HH12 ARG 57 HH12 ARG 57 9.538 17.176 -17.344 493 HH21 ARG 57 HH21 ARG 57 6.808 15.691 -18.961 494 HH22 ARG 57 HH22 ARG 57 8.507 16.050 -19.044 495 H ARG 58 H ARG 58 2.736 13.560 -15.293 496 HA ARG 58 HA ARG 58 0.889 15.143 -16.796 497 HB2 ARG 58 HB2 ARG 58 1.298 12.151 -16.619 498 HB3 ARG 58 HB3 ARG 58 0.198 12.926 -17.748 499 HG2 ARG 58 HG2 ARG 58 3.069 13.727 -17.720 500 HG3 ARG 58 HG3 ARG 58 2.594 12.216 -18.494 501 HD2 ARG 58 HD2 ARG 58 2.645 13.954 -20.147 502 HD3 ARG 58 HD3 ARG 58 0.970 13.485 -19.867 503 HE ARG 58 HE ARG 58 2.120 15.869 -18.570 504 HH11 ARG 58 HH11 ARG 58 -0.278 14.368 -20.647 505 HH12 ARG 58 HH12 ARG 58 -1.254 15.809 -20.767 506 HH21 ARG 58 HH21 ARG 58 0.845 17.767 -18.762 507 HH22 ARG 58 HH22 ARG 58 -0.615 17.725 -19.697 508 H ALA 59 H ALA 59 -0.982 15.835 -15.981 509 HA ALA 59 HA ALA 59 -2.130 14.857 -13.605 510 HB1 ALA 59 HB1 ALA 59 -3.979 16.347 -14.078 511 HB2 ALA 59 HB2 ALA 59 -3.438 16.522 -15.748 512 HB3 ALA 59 HB3 ALA 59 -2.447 17.146 -14.429 513 H HIS 60 H HIS 60 -2.725 14.140 -16.978 514 HA HIS 60 HA HIS 60 -5.097 12.645 -16.634 515 HB2 HIS 60 HB2 HIS 60 -4.276 13.512 -18.810 516 HB3 HIS 60 HB3 HIS 60 -2.958 12.349 -18.753 517 HD1 HIS 60 HD1 HIS 60 -3.510 9.893 -19.321 518 HD2 HIS 60 HD2 HIS 60 -6.789 12.459 -19.453 519 HE1 HIS 60 HE1 HIS 60 -5.333 8.614 -20.486 520 HE2 HIS 60 HE2 HIS 60 -7.230 10.251 -20.723 521 H GLU 61 H GLU 61 -1.696 11.835 -16.371 522 HA GLU 61 HA GLU 61 -2.241 8.998 -16.386 523 HB2 GLU 61 HB2 GLU 61 0.358 10.495 -16.045 524 HB3 GLU 61 HB3 GLU 61 0.204 8.750 -16.216 525 HG2 GLU 61 HG2 GLU 61 -0.582 10.808 -18.268 526 HG3 GLU 61 HG3 GLU 61 0.848 9.776 -18.316 527 H ARG 62 H ARG 62 -1.858 11.477 -14.013 528 HA ARG 62 HA ARG 62 -1.136 9.714 -11.871 529 HB2 ARG 62 HB2 ARG 62 -1.670 11.550 -10.368 530 HB3 ARG 62 HB3 ARG 62 -0.721 12.145 -11.722 531 HG2 ARG 62 HG2 ARG 62 -2.734 13.032 -12.757 532 HG3 ARG 62 HG3 ARG 62 -3.705 12.401 -11.427 533 HD2 ARG 62 HD2 ARG 62 -3.247 14.795 -11.172 534 HD3 ARG 62 HD3 ARG 62 -2.549 13.845 -9.861 535 HE ARG 62 HE ARG 62 -0.450 14.035 -11.457 536 HH11 ARG 62 HH11 ARG 62 -2.788 16.507 -10.642 537 HH12 ARG 62 HH12 ARG 62 -1.633 17.800 -10.728 538 HH21 ARG 62 HH21 ARG 62 1.066 15.732 -11.569 539 HH22 ARG 62 HH22 ARG 62 0.551 17.361 -11.245 540 H ASN 63 H ASN 63 -3.971 10.306 -13.612 541 HA ASN 63 HA ASN 63 -5.702 9.126 -11.577 542 HB2 ASN 63 HB2 ASN 63 -6.287 10.140 -14.372 543 HB3 ASN 63 HB3 ASN 63 -7.498 9.465 -13.283 544 HD21 ASN 63 HD21 ASN 63 -7.227 12.150 -14.468 545 HD22 ASN 63 HD22 ASN 63 -7.227 13.246 -13.123 546 H ARG 64 H ARG 64 -4.017 8.380 -14.500 547 HA ARG 64 HA ARG 64 -5.136 5.919 -15.190 548 HB2 ARG 64 HB2 ARG 64 -3.626 6.881 -16.712 549 HB3 ARG 64 HB3 ARG 64 -2.393 7.110 -15.483 550 HG2 ARG 64 HG2 ARG 64 -2.062 4.669 -15.402 551 HG3 ARG 64 HG3 ARG 64 -3.246 4.490 -16.701 552 HD2 ARG 64 HD2 ARG 64 -1.879 5.678 -18.229 553 HD3 ARG 64 HD3 ARG 64 -0.802 6.222 -16.946 554 HE ARG 64 HE ARG 64 -0.763 3.426 -17.005 555 HH11 ARG 64 HH11 ARG 64 0.200 6.152 -18.991 556 HH12 ARG 64 HH12 ARG 64 1.559 5.308 -19.692 557 HH21 ARG 64 HH21 ARG 64 1.038 2.333 -17.938 558 HH22 ARG 64 HH22 ARG 64 2.029 3.161 -19.099 559 H ILE 65 H ILE 65 -2.534 6.703 -12.918 560 HA ILE 65 HA ILE 65 -1.831 4.119 -12.141 561 HB ILE 65 HB ILE 65 -1.831 6.628 -10.450 562 HG12 ILE 65 HG12 ILE 65 -0.546 6.892 -12.518 563 HG13 ILE 65 HG13 ILE 65 0.526 6.830 -11.123 564 HG21 ILE 65 HG21 ILE 65 -0.148 5.536 -9.086 565 HG22 ILE 65 HG22 ILE 65 -0.245 4.089 -10.089 566 HG23 ILE 65 HG23 ILE 65 -1.629 4.577 -9.112 567 HD11 ILE 65 HD11 ILE 65 1.049 4.499 -11.631 568 HD12 ILE 65 HD12 ILE 65 1.429 5.564 -12.985 569 HD13 ILE 65 HD13 ILE 65 -0.024 4.564 -13.027 570 H LYS 66 H LYS 66 -4.509 6.150 -11.157 571 HA LYS 66 HA LYS 66 -5.289 4.670 -8.872 572 HB2 LYS 66 HB2 LYS 66 -6.967 6.431 -10.670 573 HB3 LYS 66 HB3 LYS 66 -7.438 5.860 -9.077 574 HG2 LYS 66 HG2 LYS 66 -5.483 7.098 -8.140 575 HG3 LYS 66 HG3 LYS 66 -5.221 7.777 -9.749 576 HD2 LYS 66 HD2 LYS 66 -7.490 8.721 -9.706 577 HD3 LYS 66 HD3 LYS 66 -7.727 8.064 -8.088 578 HE2 LYS 66 HE2 LYS 66 -7.168 10.357 -7.834 579 HE3 LYS 66 HE3 LYS 66 -5.749 9.425 -7.355 580 HZ1 LYS 66 HZ1 LYS 66 -6.155 10.765 -9.976 581 HZ2 LYS 66 HZ2 LYS 66 -4.792 9.849 -9.543 582 HZ3 LYS 66 HZ3 LYS 66 -5.131 11.298 -8.733 583 H ARG 67 H ARG 67 -6.287 4.585 -12.267 584 HA ARG 67 HA ARG 67 -8.373 2.696 -11.858 585 HB2 ARG 67 HB2 ARG 67 -6.932 3.453 -14.406 586 HB3 ARG 67 HB3 ARG 67 -8.429 2.534 -14.320 587 HG2 ARG 67 HG2 ARG 67 -9.475 4.498 -13.189 588 HG3 ARG 67 HG3 ARG 67 -7.995 5.399 -13.515 589 HD2 ARG 67 HD2 ARG 67 -9.757 4.117 -15.600 590 HD3 ARG 67 HD3 ARG 67 -9.748 5.829 -15.185 591 HE ARG 67 HE ARG 67 -7.187 4.759 -16.007 592 HH11 ARG 67 HH11 ARG 67 -10.156 6.331 -17.012 593 HH12 ARG 67 HH12 ARG 67 -9.469 6.952 -18.482 594 HH21 ARG 67 HH21 ARG 67 -6.276 5.597 -17.926 595 HH22 ARG 67 HH22 ARG 67 -7.255 6.559 -19.000 596 H LEU 68 H LEU 68 -4.984 2.396 -12.176 597 HA LEU 68 HA LEU 68 -5.066 -0.340 -13.125 598 HB2 LEU 68 HB2 LEU 68 -3.260 1.349 -13.709 599 HB3 LEU 68 HB3 LEU 68 -2.679 1.174 -12.067 600 HG LEU 68 HG LEU 68 -1.464 -0.146 -13.874 601 HD11 LEU 68 HD11 LEU 68 -2.578 -1.611 -11.490 602 HD12 LEU 68 HD12 LEU 68 -1.108 -0.636 -11.542 603 HD13 LEU 68 HD13 LEU 68 -1.202 -2.141 -12.456 604 HD21 LEU 68 HD21 LEU 68 -3.975 -1.806 -13.701 605 HD22 LEU 68 HD22 LEU 68 -2.477 -2.300 -14.491 606 HD23 LEU 68 HD23 LEU 68 -3.391 -0.925 -15.114 607 H THR 69 H THR 69 -3.913 1.290 -10.165 608 HA THR 69 HA THR 69 -3.286 -1.139 -8.852 609 HB THR 69 HB THR 69 -3.153 0.353 -6.794 610 HG1 THR 69 HG1 THR 69 -3.326 2.522 -8.595 611 HG21 THR 69 HG21 THR 69 -1.595 1.149 -9.260 612 HG22 THR 69 HG22 THR 69 -1.194 -0.167 -8.155 613 HG23 THR 69 HG23 THR 69 -1.132 1.503 -7.594 614 H ARG 70 H ARG 70 -6.160 0.833 -8.968 615 HA ARG 70 HA ARG 70 -7.387 -0.255 -6.639 616 HB2 ARG 70 HB2 ARG 70 -7.943 1.961 -7.643 617 HB3 ARG 70 HB3 ARG 70 -8.698 1.123 -8.989 618 HG2 ARG 70 HG2 ARG 70 -10.393 0.220 -7.571 619 HG3 ARG 70 HG3 ARG 70 -9.571 0.815 -6.126 620 HD2 ARG 70 HD2 ARG 70 -11.460 2.243 -6.726 621 HD3 ARG 70 HD3 ARG 70 -9.931 3.111 -6.852 622 HE ARG 70 HE ARG 70 -10.871 1.932 -9.321 623 HH11 ARG 70 HH11 ARG 70 -10.759 4.778 -7.298 624 HH12 ARG 70 HH12 ARG 70 -11.261 5.855 -8.564 625 HH21 ARG 70 HH21 ARG 70 -11.484 3.354 -11.005 626 HH22 ARG 70 HH22 ARG 70 -11.653 5.055 -10.667 627 H GLU 71 H GLU 71 -6.955 -1.418 -9.814 628 HA GLU 71 HA GLU 71 -9.325 -2.963 -10.088 629 HB2 GLU 71 HB2 GLU 71 -7.925 -2.319 -12.002 630 HB3 GLU 71 HB3 GLU 71 -6.610 -3.305 -11.380 631 HG2 GLU 71 HG2 GLU 71 -8.027 -5.305 -11.643 632 HG3 GLU 71 HG3 GLU 71 -9.283 -4.290 -12.350 633 H SER 72 H SER 72 -6.164 -3.561 -8.689 634 HA SER 72 HA SER 72 -6.536 -6.399 -8.498 635 HB2 SER 72 HB2 SER 72 -4.447 -4.749 -7.079 636 HB3 SER 72 HB3 SER 72 -4.350 -6.441 -7.573 637 HG SER 72 HG SER 72 -4.672 -5.491 -9.800 638 H PHE 73 H PHE 73 -6.184 -3.823 -6.050 639 HA PHE 73 HA PHE 73 -6.584 -5.517 -3.846 640 HB2 PHE 73 HB2 PHE 73 -6.826 -2.526 -4.133 641 HB3 PHE 73 HB3 PHE 73 -6.996 -3.358 -2.591 642 HD1 PHE 73 HD1 PHE 73 -4.665 -2.422 -5.266 643 HD2 PHE 73 HD2 PHE 73 -5.098 -4.311 -1.480 644 HE1 PHE 73 HE1 PHE 73 -2.223 -2.368 -4.965 645 HE2 PHE 73 HE2 PHE 73 -2.658 -4.264 -1.169 646 HZ PHE 73 HZ PHE 73 -1.216 -3.288 -2.915 647 H ARG 74 H ARG 74 -8.861 -3.894 -5.906 648 HA ARG 74 HA ARG 74 -11.054 -4.035 -4.068 649 HB2 ARG 74 HB2 ARG 74 -11.002 -2.299 -5.755 650 HB3 ARG 74 HB3 ARG 74 -10.939 -3.497 -7.040 651 HG2 ARG 74 HG2 ARG 74 -13.183 -4.205 -6.563 652 HG3 ARG 74 HG3 ARG 74 -13.253 -3.156 -5.144 653 HD2 ARG 74 HD2 ARG 74 -13.203 -1.199 -6.475 654 HD3 ARG 74 HD3 ARG 74 -12.761 -2.109 -7.920 655 HE ARG 74 HE ARG 74 -15.050 -3.168 -7.664 656 HH11 ARG 74 HH11 ARG 74 -14.363 0.101 -6.556 657 HH12 ARG 74 HH12 ARG 74 -15.995 0.642 -6.806 658 HH21 ARG 74 HH21 ARG 74 -17.176 -2.429 -7.978 659 HH22 ARG 74 HH22 ARG 74 -17.583 -0.781 -7.606 660 H LEU 75 H LEU 75 -9.654 -6.185 -6.396 661 HA LEU 75 HA LEU 75 -12.062 -7.849 -6.475 662 HB2 LEU 75 HB2 LEU 75 -10.622 -7.217 -8.518 663 HB3 LEU 75 HB3 LEU 75 -9.469 -8.385 -7.909 664 HG LEU 75 HG LEU 75 -11.011 -9.192 -9.741 665 HD11 LEU 75 HD11 LEU 75 -9.780 -10.749 -8.333 666 HD12 LEU 75 HD12 LEU 75 -11.372 -11.383 -8.745 667 HD13 LEU 75 HD13 LEU 75 -11.081 -10.711 -7.141 668 HD21 LEU 75 HD21 LEU 75 -13.043 -9.067 -7.517 669 HD22 LEU 75 HD22 LEU 75 -13.269 -9.883 -9.063 670 HD23 LEU 75 HD23 LEU 75 -13.059 -8.134 -9.014 671 H ARG 76 H ARG 76 -8.715 -7.903 -5.391 672 HA ARG 76 HA ARG 76 -9.000 -10.626 -4.344 673 HB2 ARG 76 HB2 ARG 76 -6.992 -9.727 -5.690 674 HB3 ARG 76 HB3 ARG 76 -6.553 -8.866 -4.225 675 HG2 ARG 76 HG2 ARG 76 -5.268 -10.830 -4.247 676 HG3 ARG 76 HG3 ARG 76 -6.544 -11.098 -3.059 677 HD2 ARG 76 HD2 ARG 76 -7.783 -12.454 -4.603 678 HD3 ARG 76 HD3 ARG 76 -6.674 -12.053 -5.917 679 HE ARG 76 HE ARG 76 -5.230 -13.219 -3.791 680 HH11 ARG 76 HH11 ARG 76 -7.490 -14.084 -6.339 681 HH12 ARG 76 HH12 ARG 76 -6.965 -15.743 -6.410 682 HH21 ARG 76 HH21 ARG 76 -4.524 -15.367 -3.891 683 HH22 ARG 76 HH22 ARG 76 -5.254 -16.473 -5.026 684 H GLN 77 H GLN 77 -10.648 -8.943 -3.000 685 HA GLN 77 HA GLN 77 -9.268 -7.482 -0.939 686 HB2 GLN 77 HB2 GLN 77 -11.299 -6.473 -0.417 687 HB3 GLN 77 HB3 GLN 77 -11.417 -6.756 -2.146 688 HG2 GLN 77 HG2 GLN 77 -12.581 -8.631 -0.105 689 HG3 GLN 77 HG3 GLN 77 -13.468 -7.261 -0.760 690 HE21 GLN 77 HE21 GLN 77 -12.418 -7.471 -3.413 691 HE22 GLN 77 HE22 GLN 77 -13.124 -8.880 -4.125 692 H HIS 78 H HIS 78 -10.100 -10.706 -1.130 693 HA HIS 78 HA HIS 78 -10.665 -10.813 1.758 694 HB2 HIS 78 HB2 HIS 78 -11.611 -12.494 -0.504 695 HB3 HIS 78 HB3 HIS 78 -11.387 -13.267 1.065 696 HD1 HIS 78 HD1 HIS 78 -14.093 -12.205 -0.684 697 HD2 HIS 78 HD2 HIS 78 -12.622 -11.054 3.034 698 HE1 HIS 78 HE1 HIS 78 -16.052 -11.225 0.553 699 HE2 HIS 78 HE2 HIS 78 -15.185 -10.775 2.877 700 H GLU 79 H GLU 79 -8.354 -11.684 -0.606 701 HA GLU 79 HA GLU 79 -7.134 -13.780 0.893 702 HB2 GLU 79 HB2 GLU 79 -6.763 -13.581 -1.514 703 HB3 GLU 79 HB3 GLU 79 -5.996 -12.015 -1.280 704 HG2 GLU 79 HG2 GLU 79 -4.175 -13.027 -0.084 705 HG3 GLU 79 HG3 GLU 79 -4.967 -14.603 -0.143 706 H LEU 80 H LEU 80 -6.528 -10.323 0.519 707 HA LEU 80 HA LEU 80 -4.544 -10.406 2.646 708 HB2 LEU 80 HB2 LEU 80 -4.304 -7.953 2.086 709 HB3 LEU 80 HB3 LEU 80 -3.847 -9.084 0.830 710 HG LEU 80 HG LEU 80 -6.271 -8.666 -0.060 711 HD11 LEU 80 HD11 LEU 80 -7.090 -6.410 0.365 712 HD12 LEU 80 HD12 LEU 80 -5.801 -6.157 1.541 713 HD13 LEU 80 HD13 LEU 80 -7.050 -7.362 1.849 714 HD21 LEU 80 HD21 LEU 80 -4.226 -8.087 -1.247 715 HD22 LEU 80 HD22 LEU 80 -4.085 -6.605 -0.302 716 HD23 LEU 80 HD23 LEU 80 -5.434 -6.813 -1.418 717 HA PRO 81 HA PRO 81 -7.259 -9.083 5.843 718 HB2 PRO 81 HB2 PRO 81 -5.206 -7.226 6.839 719 HB3 PRO 81 HB3 PRO 81 -5.877 -8.669 7.602 720 HG2 PRO 81 HG2 PRO 81 -3.366 -8.615 6.653 721 HG3 PRO 81 HG3 PRO 81 -4.365 -10.078 6.575 722 HD2 PRO 81 HD2 PRO 81 -3.748 -8.090 4.419 723 HD3 PRO 81 HD3 PRO 81 -3.810 -9.863 4.331 724 H ALA 82 H ALA 82 -8.677 -7.463 6.396 725 HA ALA 82 HA ALA 82 -9.009 -5.327 4.547 726 HB1 ALA 82 HB1 ALA 82 -10.905 -6.445 5.598 727 HB2 ALA 82 HB2 ALA 82 -10.933 -4.712 5.921 728 HB3 ALA 82 HB3 ALA 82 -10.402 -5.835 7.175 729 H MET 83 H MET 83 -7.367 -3.887 4.581 730 HA MET 83 HA MET 83 -7.138 -2.154 6.916 731 HB2 MET 83 HB2 MET 83 -5.410 -3.922 7.188 732 HB3 MET 83 HB3 MET 83 -4.758 -3.502 5.612 733 HG2 MET 83 HG2 MET 83 -4.279 -1.228 6.477 734 HG3 MET 83 HG3 MET 83 -4.799 -1.774 8.072 735 HE1 MET 83 HE1 MET 83 -3.609 -3.858 9.330 736 HE2 MET 83 HE2 MET 83 -2.143 -4.641 8.736 737 HE3 MET 83 HE3 MET 83 -3.667 -4.843 7.870 738 H ASP 84 H ASP 84 -6.293 -0.061 6.371 739 HA ASP 84 HA ASP 84 -6.525 0.739 3.643 740 HB2 ASP 84 HB2 ASP 84 -5.796 2.096 6.195 741 HB3 ASP 84 HB3 ASP 84 -5.248 2.843 4.700 742 H PHE 85 H PHE 85 -5.077 -0.469 2.455 743 HA PHE 85 HA PHE 85 -2.278 -0.518 3.070 744 HB2 PHE 85 HB2 PHE 85 -3.891 -1.347 0.662 745 HB3 PHE 85 HB3 PHE 85 -2.131 -1.351 0.628 746 HD1 PHE 85 HD2 PHE 85 -5.074 -2.791 2.353 747 HD2 PHE 85 HD1 PHE 85 -0.901 -3.098 1.577 748 HE1 PHE 85 HE2 PHE 85 -5.052 -5.029 3.376 749 HE2 PHE 85 HE1 PHE 85 -0.872 -5.337 2.597 750 HZ PHE 85 HZ PHE 85 -2.949 -6.305 3.498 751 H VAL 86 H VAL 86 -1.473 1.511 3.230 752 HA VAL 86 HA VAL 86 -2.163 3.601 1.414 753 HB VAL 86 HB VAL 86 0.157 3.508 3.353 754 HG11 VAL 86 HG11 VAL 86 0.386 5.253 1.675 755 HG12 VAL 86 HG12 VAL 86 0.037 5.956 3.254 756 HG13 VAL 86 HG13 VAL 86 -1.238 5.839 2.040 757 HG21 VAL 86 HG21 VAL 86 -1.320 4.729 4.895 758 HG22 VAL 86 HG22 VAL 86 -1.933 3.116 4.528 759 HG23 VAL 86 HG23 VAL 86 -2.653 4.532 3.759 760 H VAL 87 H VAL 87 -1.624 3.281 -0.635 761 HA VAL 87 HA VAL 87 0.969 2.205 -1.351 762 HB VAL 87 HB VAL 87 -1.274 3.179 -3.130 763 HG11 VAL 87 HG11 VAL 87 -0.114 1.947 -4.903 764 HG12 VAL 87 HG12 VAL 87 1.197 1.580 -3.782 765 HG13 VAL 87 HG13 VAL 87 0.880 3.249 -4.253 766 HG21 VAL 87 HG21 VAL 87 -1.984 1.278 -1.813 767 HG22 VAL 87 HG22 VAL 87 -0.523 0.392 -2.256 768 HG23 VAL 87 HG23 VAL 87 -1.727 0.781 -3.487 769 H VAL 88 H VAL 88 2.505 3.674 -0.879 770 HA VAL 88 HA VAL 88 2.199 6.441 -1.720 771 HB VAL 88 HB VAL 88 4.576 5.105 -0.409 772 HG11 VAL 88 HG11 VAL 88 5.196 7.133 -1.586 773 HG12 VAL 88 HG12 VAL 88 5.255 7.403 0.156 774 HG13 VAL 88 HG13 VAL 88 3.899 8.020 -0.788 775 HG21 VAL 88 HG21 VAL 88 2.637 4.985 1.043 776 HG22 VAL 88 HG22 VAL 88 2.341 6.709 0.824 777 HG23 VAL 88 HG23 VAL 88 3.792 6.163 1.664 778 H ALA 89 H ALA 89 2.356 6.628 -3.867 779 HA ALA 89 HA ALA 89 4.305 5.111 -5.372 780 HB1 ALA 89 HB1 ALA 89 2.094 5.520 -6.326 781 HB2 ALA 89 HB2 ALA 89 3.357 6.239 -7.327 782 HB3 ALA 89 HB3 ALA 89 2.382 7.259 -6.268 783 H LYS 90 H LYS 90 6.059 5.983 -6.491 784 HA LYS 90 HA LYS 90 6.900 8.661 -5.608 785 HB2 LYS 90 HB2 LYS 90 8.587 6.387 -6.675 786 HB3 LYS 90 HB3 LYS 90 9.194 7.943 -6.138 787 HG2 LYS 90 HG2 LYS 90 7.665 6.156 -4.285 788 HG3 LYS 90 HG3 LYS 90 9.388 5.925 -4.562 789 HD2 LYS 90 HD2 LYS 90 9.268 7.254 -2.637 790 HD3 LYS 90 HD3 LYS 90 9.645 8.387 -3.933 791 HE2 LYS 90 HE2 LYS 90 7.388 9.157 -4.013 792 HE3 LYS 90 HE3 LYS 90 6.851 7.878 -2.926 793 HZ1 LYS 90 HZ1 LYS 90 8.141 8.871 -1.158 794 HZ2 LYS 90 HZ2 LYS 90 7.066 10.012 -1.802 795 HZ3 LYS 90 HZ3 LYS 90 8.713 10.080 -2.203 796 H LYS 91 H LYS 91 8.490 9.637 -7.338 797 HA LYS 91 HA LYS 91 6.903 9.974 -9.714 798 HB2 LYS 91 HB2 LYS 91 8.140 11.846 -8.582 799 HB3 LYS 91 HB3 LYS 91 9.648 11.106 -9.093 800 HG2 LYS 91 HG2 LYS 91 7.573 11.798 -11.127 801 HG3 LYS 91 HG3 LYS 91 8.607 13.059 -10.457 802 HD2 LYS 91 HD2 LYS 91 9.835 10.551 -11.529 803 HD3 LYS 91 HD3 LYS 91 9.299 11.808 -12.643 804 HE2 LYS 91 HE2 LYS 91 11.656 12.071 -12.117 805 HE3 LYS 91 HE3 LYS 91 10.725 13.434 -11.508 806 HZ1 LYS 91 HZ1 LYS 91 11.668 11.134 -9.865 807 HZ2 LYS 91 HZ2 LYS 91 10.835 12.496 -9.295 808 HZ3 LYS 91 HZ3 LYS 91 12.398 12.664 -9.925 809 H GLY 92 H GLY 92 6.928 8.373 -11.126 810 HA2 GLY 92 HA2 GLY 92 8.711 7.632 -12.910 811 HA3 GLY 92 HA3 GLY 92 9.368 6.807 -11.504 812 H VAL 93 H VAL 93 6.226 6.744 -10.853 813 HA VAL 93 HA VAL 93 5.850 4.047 -11.581 814 HB VAL 93 HB VAL 93 3.462 4.416 -10.915 815 HG11 VAL 93 HG11 VAL 93 5.106 3.729 -9.276 816 HG12 VAL 93 HG12 VAL 93 3.975 4.869 -8.547 817 HG13 VAL 93 HG13 VAL 93 5.588 5.406 -9.016 818 HG21 VAL 93 HG21 VAL 93 3.241 6.743 -11.625 819 HG22 VAL 93 HG22 VAL 93 4.409 7.238 -10.400 820 HG23 VAL 93 HG23 VAL 93 2.853 6.567 -9.912 821 H ALA 94 H ALA 94 5.390 6.947 -13.339 822 HA ALA 94 HA ALA 94 3.594 5.704 -15.276 823 HB1 ALA 94 HB1 ALA 94 3.492 7.903 -16.315 824 HB2 ALA 94 HB2 ALA 94 4.727 8.498 -15.206 825 HB3 ALA 94 HB3 ALA 94 3.148 8.014 -14.590 826 H ASP 95 H ASP 95 6.752 5.529 -14.690 827 HA ASP 95 HA ASP 95 7.762 5.894 -17.393 828 HB2 ASP 95 HB2 ASP 95 9.176 6.536 -15.502 829 HB3 ASP 95 HB3 ASP 95 9.090 4.906 -14.854 830 H LEU 96 H LEU 96 6.315 3.480 -15.526 831 HA LEU 96 HA LEU 96 7.578 1.231 -16.830 832 HB2 LEU 96 HB2 LEU 96 5.228 1.354 -14.940 833 HB3 LEU 96 HB3 LEU 96 6.001 -0.117 -15.494 834 HG LEU 96 HG LEU 96 7.313 2.020 -13.810 835 HD11 LEU 96 HD11 LEU 96 5.629 0.771 -12.573 836 HD12 LEU 96 HD12 LEU 96 7.254 0.342 -12.033 837 HD13 LEU 96 HD13 LEU 96 6.358 -0.750 -13.092 838 HD21 LEU 96 HD21 LEU 96 9.155 0.428 -13.608 839 HD22 LEU 96 HD22 LEU 96 8.899 0.895 -15.288 840 HD23 LEU 96 HD23 LEU 96 8.334 -0.673 -14.713 841 H ASP 97 H ASP 97 6.757 0.003 -18.420 842 HA ASP 97 HA ASP 97 4.707 1.056 -20.091 843 HB2 ASP 97 HB2 ASP 97 6.553 -0.180 -21.047 844 HB3 ASP 97 HB3 ASP 97 6.142 -1.605 -20.099 845 H ASN 98 H ASN 98 2.799 -0.225 -20.798 846 HA ASN 98 HA ASN 98 1.031 -0.589 -18.680 847 HB2 ASN 98 HB2 ASN 98 0.388 -0.068 -21.022 848 HB3 ASN 98 HB3 ASN 98 0.784 -1.722 -21.473 849 HD21 ASN 98 HD21 ASN 98 -1.278 -2.186 -22.145 850 HD22 ASN 98 HD22 ASN 98 -2.600 -2.374 -21.043 851 H ARG 99 H ARG 99 2.791 -3.054 -20.566 852 HA ARG 99 HA ARG 99 1.622 -5.183 -18.997 853 HB2 ARG 99 HB2 ARG 99 2.157 -5.532 -21.371 854 HB3 ARG 99 HB3 ARG 99 3.862 -5.277 -21.023 855 HG2 ARG 99 HG2 ARG 99 3.257 -7.656 -21.252 856 HG3 ARG 99 HG3 ARG 99 3.937 -7.266 -19.671 857 HD2 ARG 99 HD2 ARG 99 2.062 -8.707 -19.329 858 HD3 ARG 99 HD3 ARG 99 1.610 -7.090 -18.793 859 HE ARG 99 HE ARG 99 0.848 -8.039 -21.466 860 HH11 ARG 99 HH11 ARG 99 -0.030 -6.745 -18.333 861 HH12 ARG 99 HH12 ARG 99 -1.730 -6.670 -18.700 862 HH21 ARG 99 HH21 ARG 99 -1.392 -7.964 -21.940 863 HH22 ARG 99 HH22 ARG 99 -2.499 -7.379 -20.740 864 H ALA 100 H ALA 100 4.415 -3.192 -18.869 865 HA ALA 100 HA ALA 100 6.019 -4.889 -17.241 866 HB1 ALA 100 HB1 ALA 100 6.997 -3.075 -18.547 867 HB2 ALA 100 HB2 ALA 100 7.378 -2.904 -16.835 868 HB3 ALA 100 HB3 ALA 100 6.132 -1.894 -17.565 869 H LEU 101 H LEU 101 3.692 -2.302 -16.569 870 HA LEU 101 HA LEU 101 4.165 -2.335 -13.759 871 HB2 LEU 101 HB2 LEU 101 2.093 -0.959 -13.622 872 HB3 LEU 101 HB3 LEU 101 3.347 -0.318 -14.658 873 HG LEU 101 HG LEU 101 1.981 -1.431 -16.578 874 HD11 LEU 101 HD11 LEU 101 -0.134 -1.152 -14.453 875 HD12 LEU 101 HD12 LEU 101 0.440 -2.663 -15.159 876 HD13 LEU 101 HD13 LEU 101 -0.416 -1.491 -16.160 877 HD21 LEU 101 HD21 LEU 101 2.316 0.957 -16.340 878 HD22 LEU 101 HD22 LEU 101 1.032 1.039 -15.134 879 HD23 LEU 101 HD23 LEU 101 0.650 0.616 -16.803 880 H SER 102 H SER 102 2.022 -4.113 -15.875 881 HA SER 102 HA SER 102 0.453 -5.191 -13.736 882 HB2 SER 102 HB2 SER 102 -0.387 -6.775 -15.453 883 HB3 SER 102 HB3 SER 102 -0.489 -5.096 -15.979 884 HG SER 102 HG SER 102 1.402 -7.072 -16.754 885 H GLU 103 H GLU 103 3.444 -5.990 -15.298 886 HA GLU 103 HA GLU 103 3.746 -8.601 -14.224 887 HB2 GLU 103 HB2 GLU 103 5.104 -7.828 -16.108 888 HB3 GLU 103 HB3 GLU 103 5.817 -6.574 -15.105 889 HG2 GLU 103 HG2 GLU 103 7.355 -8.415 -15.393 890 HG3 GLU 103 HG3 GLU 103 6.861 -8.276 -13.707 891 H ALA 104 H ALA 104 5.030 -5.426 -13.228 892 HA ALA 104 HA ALA 104 6.216 -6.250 -10.831 893 HB1 ALA 104 HB1 ALA 104 6.639 -4.069 -11.861 894 HB2 ALA 104 HB2 ALA 104 6.149 -3.899 -10.174 895 HB3 ALA 104 HB3 ALA 104 4.996 -3.560 -11.467 896 H LEU 105 H LEU 105 2.922 -5.494 -11.633 897 HA LEU 105 HA LEU 105 1.758 -5.114 -9.154 898 HB2 LEU 105 HB2 LEU 105 0.731 -4.908 -11.458 899 HB3 LEU 105 HB3 LEU 105 0.538 -6.647 -11.446 900 HG LEU 105 HG LEU 105 -0.706 -4.931 -9.309 901 HD11 LEU 105 HD11 LEU 105 -2.746 -4.892 -10.652 902 HD12 LEU 105 HD12 LEU 105 -1.898 -5.690 -11.977 903 HD13 LEU 105 HD13 LEU 105 -1.430 -4.063 -11.483 904 HD21 LEU 105 HD21 LEU 105 -1.429 -7.629 -10.459 905 HD22 LEU 105 HD22 LEU 105 -2.262 -6.801 -9.144 906 HD23 LEU 105 HD23 LEU 105 -0.603 -7.355 -8.924 907 H GLU 106 H GLU 106 2.210 -8.221 -10.890 908 HA GLU 106 HA GLU 106 1.051 -9.732 -8.781 909 HB2 GLU 106 HB2 GLU 106 1.745 -11.702 -9.967 910 HB3 GLU 106 HB3 GLU 106 1.146 -10.530 -11.130 911 HG2 GLU 106 HG2 GLU 106 3.044 -10.608 -12.252 912 HG3 GLU 106 HG3 GLU 106 3.965 -10.196 -10.808 913 H LYS 107 H LYS 107 4.253 -8.533 -9.368 914 HA LYS 107 HA LYS 107 5.660 -10.415 -7.784 915 HB2 LYS 107 HB2 LYS 107 6.563 -7.561 -8.094 916 HB3 LYS 107 HB3 LYS 107 7.543 -9.004 -7.922 917 HG2 LYS 107 HG2 LYS 107 6.096 -8.002 -10.344 918 HG3 LYS 107 HG3 LYS 107 7.815 -8.324 -10.136 919 HD2 LYS 107 HD2 LYS 107 5.621 -10.393 -10.210 920 HD3 LYS 107 HD3 LYS 107 6.724 -10.014 -11.531 921 HE2 LYS 107 HE2 LYS 107 8.609 -10.759 -10.182 922 HE3 LYS 107 HE3 LYS 107 7.521 -11.099 -8.834 923 HZ1 LYS 107 HZ1 LYS 107 7.569 -12.446 -11.476 924 HZ2 LYS 107 HZ2 LYS 107 6.346 -12.675 -10.329 925 HZ3 LYS 107 HZ3 LYS 107 7.944 -13.132 -9.970 926 H LEU 108 H LEU 108 4.226 -7.253 -7.090 927 HA LEU 108 HA LEU 108 4.996 -7.369 -4.322 928 HB2 LEU 108 HB2 LEU 108 3.660 -5.320 -4.071 929 HB3 LEU 108 HB3 LEU 108 4.833 -5.206 -5.364 930 HG LEU 108 HG LEU 108 2.740 -5.910 -6.842 931 HD11 LEU 108 HD11 LEU 108 1.219 -6.163 -4.939 932 HD12 LEU 108 HD12 LEU 108 0.687 -4.893 -6.039 933 HD13 LEU 108 HD13 LEU 108 1.470 -4.468 -4.517 934 HD21 LEU 108 HD21 LEU 108 4.083 -3.889 -7.112 935 HD22 LEU 108 HD22 LEU 108 3.199 -3.121 -5.792 936 HD23 LEU 108 HD23 LEU 108 2.362 -3.546 -7.286 937 H TRP 109 H TRP 109 2.202 -8.256 -6.216 938 HA TRP 109 HA TRP 109 0.350 -8.565 -4.123 939 HB2 TRP 109 HB2 TRP 109 -0.561 -8.638 -6.288 940 HB3 TRP 109 HB3 TRP 109 0.616 -9.824 -6.844 941 HD1 TRP 109 HD1 TRP 109 -1.888 -9.985 -3.868 942 HE1 TRP 109 HE1 TRP 109 -3.217 -12.185 -4.067 943 HE3 TRP 109 HE3 TRP 109 0.072 -11.692 -8.257 944 HZ2 TRP 109 HZ2 TRP 109 -3.417 -14.341 -5.878 945 HZ3 TRP 109 HZ3 TRP 109 -0.744 -13.827 -9.164 946 HH2 TRP 109 HH2 TRP 109 -2.454 -15.126 -7.998 947 H ARG 110 H ARG 110 2.408 -11.018 -5.688 948 HA ARG 110 HA ARG 110 1.737 -13.120 -3.954 949 HB2 ARG 110 HB2 ARG 110 4.245 -12.678 -5.590 950 HB3 ARG 110 HB3 ARG 110 3.783 -14.209 -4.854 951 HG2 ARG 110 HG2 ARG 110 1.949 -14.472 -6.283 952 HG3 ARG 110 HG3 ARG 110 1.976 -12.778 -6.769 953 HD2 ARG 110 HD2 ARG 110 2.836 -14.034 -8.586 954 HD3 ARG 110 HD3 ARG 110 4.202 -13.217 -7.830 955 HE ARG 110 HE ARG 110 3.908 -15.812 -6.748 956 HH11 ARG 110 HH11 ARG 110 4.899 -14.160 -9.676 957 HH12 ARG 110 HH12 ARG 110 5.979 -15.431 -10.182 958 HH21 ARG 110 HH21 ARG 110 5.304 -17.503 -7.421 959 HH22 ARG 110 HH22 ARG 110 6.195 -17.338 -8.912 960 H ARG 111 H ARG 111 4.113 -10.572 -3.727 961 HA ARG 111 HA ARG 111 5.549 -11.546 -1.500 962 HB2 ARG 111 HB2 ARG 111 6.350 -9.713 -2.945 963 HB3 ARG 111 HB3 ARG 111 5.049 -8.686 -2.361 964 HG2 ARG 111 HG2 ARG 111 7.184 -8.159 -1.301 965 HG3 ARG 111 HG3 ARG 111 5.991 -8.717 -0.128 966 HD2 ARG 111 HD2 ARG 111 8.257 -9.669 0.217 967 HD3 ARG 111 HD3 ARG 111 7.003 -10.883 -0.032 968 HE ARG 111 HE ARG 111 7.925 -10.653 -2.506 969 HH11 ARG 111 HH11 ARG 111 9.731 -10.741 0.499 970 HH12 ARG 111 HH12 ARG 111 11.061 -11.630 -0.189 971 HH21 ARG 111 HH21 ARG 111 9.686 -11.788 -3.408 972 HH22 ARG 111 HH22 ARG 111 11.039 -12.212 -2.404 973 H HIS 112 H HIS 112 2.682 -9.466 -1.783 974 HA HIS 112 HA HIS 112 2.420 -8.984 1.006 975 HB2 HIS 112 HB2 HIS 112 0.429 -8.782 -1.257 976 HB3 HIS 112 HB3 HIS 112 0.027 -8.367 0.405 977 HD1 HIS 112 HD1 HIS 112 0.627 -6.645 -2.480 978 HD2 HIS 112 HD2 HIS 112 2.453 -6.467 1.247 979 HE1 HIS 112 HE1 HIS 112 1.691 -4.371 -2.363 980 HE2 HIS 112 HE2 HIS 112 2.958 -4.368 -0.186 981 H CYS 113 H CYS 113 1.074 -11.397 -1.184 982 HA CYS 113 HA CYS 113 -0.845 -12.517 0.487 983 HB2 CYS 113 HB2 CYS 113 -0.655 -13.026 -1.909 984 HB3 CYS 113 HB3 CYS 113 0.846 -13.894 -1.611 985 HG CYS 113 HG CYS 113 -2.181 -15.065 -1.638 986 H ARG 114 H ARG 114 2.576 -13.442 0.108 987 HA ARG 114 HA ARG 114 2.414 -15.567 2.004 988 HB2 ARG 114 HB2 ARG 114 4.095 -15.643 0.259 989 HB3 ARG 114 HB3 ARG 114 4.803 -14.134 0.820 990 HG2 ARG 114 HG2 ARG 114 6.178 -15.972 1.527 991 HG3 ARG 114 HG3 ARG 114 5.418 -15.242 2.940 992 HD2 ARG 114 HD2 ARG 114 5.203 -17.546 3.291 993 HD3 ARG 114 HD3 ARG 114 3.625 -17.047 2.686 994 HE ARG 114 HE ARG 114 5.393 -17.937 0.605 995 HH11 ARG 114 HH11 ARG 114 3.027 -18.946 2.994 996 HH12 ARG 114 HH12 ARG 114 2.771 -20.502 2.267 997 HH21 ARG 114 HH21 ARG 114 5.043 -19.992 -0.356 998 HH22 ARG 114 HH22 ARG 114 3.891 -21.090 0.360 999 H LEU 115 H LEU 115 3.301 -12.171 2.200 1000 HA LEU 115 HA LEU 115 4.496 -12.380 4.789 1001 HB2 LEU 115 HB2 LEU 115 4.945 -10.618 2.994 1002 HB3 LEU 115 HB3 LEU 115 3.445 -9.868 3.499 1003 HG LEU 115 HG LEU 115 5.664 -10.363 5.468 1004 HD11 LEU 115 HD11 LEU 115 6.460 -8.103 5.036 1005 HD12 LEU 115 HD12 LEU 115 5.307 -7.936 3.714 1006 HD13 LEU 115 HD13 LEU 115 6.616 -9.111 3.599 1007 HD21 LEU 115 HD21 LEU 115 3.456 -9.774 6.358 1008 HD22 LEU 115 HD22 LEU 115 3.440 -8.324 5.353 1009 HD23 LEU 115 HD23 LEU 115 4.634 -8.491 6.641 1010 H ALA 116 H ALA 116 1.360 -11.211 3.584 1011 HA ALA 116 HA ALA 116 0.357 -10.302 6.045 1012 HB1 ALA 116 HB1 ALA 116 -1.824 -10.316 4.986 1013 HB2 ALA 116 HB2 ALA 116 -1.213 -11.345 3.690 1014 HB3 ALA 116 HB3 ALA 116 -0.612 -9.696 3.865 1015 H ARG 117 H ARG 117 -0.013 -13.430 4.407 1016 HA ARG 117 HA ARG 117 -1.221 -14.498 6.841 1017 HB2 ARG 117 HB2 ARG 117 -0.870 -15.768 4.118 1018 HB3 ARG 117 HB3 ARG 117 -1.669 -16.528 5.489 1019 HG2 ARG 117 HG2 ARG 117 -3.311 -14.672 5.504 1020 HG3 ARG 117 HG3 ARG 117 -2.552 -14.033 4.046 1021 HD2 ARG 117 HD2 ARG 117 -3.069 -16.132 2.880 1022 HD3 ARG 117 HD3 ARG 117 -3.857 -16.738 4.336 1023 HE ARG 117 HE ARG 117 -4.862 -14.231 3.228 1024 HH11 ARG 117 HH11 ARG 117 -5.289 -17.680 3.671 1025 HH12 ARG 117 HH12 ARG 117 -6.938 -17.671 3.127 1026 HH21 ARG 117 HH21 ARG 117 -7.047 -14.223 2.555 1027 HH22 ARG 117 HH22 ARG 117 -7.935 -15.716 2.499 1028 H GLY 118 H GLY 118 0.561 -14.443 8.151 1029 HA2 GLY 118 HA2 GLY 118 2.228 -16.495 8.571 1030 HA3 GLY 118 HA3 GLY 118 3.073 -15.615 7.300 1031 H SER 119 H SER 119 1.926 -13.065 8.303 1032 HA SER 119 HA SER 119 3.950 -12.235 10.055 1033 HB2 SER 119 HB2 SER 119 2.628 -10.721 8.569 1034 HB3 SER 119 HB3 SER 119 1.233 -10.958 9.617 1035 HG SER 119 HG SER 119 2.011 -9.324 10.681 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -6.351 -5.226 28.013 2 H2 MET 1 H2 MET 1 -6.057 -3.736 27.257 3 H3 MET 1 H3 MET 1 -4.938 -4.358 28.364 4 HA MET 1 HA MET 1 -4.538 -6.250 26.881 5 HB2 MET 1 HB2 MET 1 -6.283 -4.625 25.018 6 HB3 MET 1 HB3 MET 1 -5.335 -6.024 24.536 7 HG2 MET 1 HG2 MET 1 -6.656 -7.464 25.940 8 HG3 MET 1 HG3 MET 1 -7.536 -6.081 26.589 9 HE1 MET 1 HE1 MET 1 -8.000 -4.279 24.042 10 HE2 MET 1 HE2 MET 1 -9.284 -4.638 25.198 11 HE3 MET 1 HE3 MET 1 -9.568 -4.856 23.472 12 H VAL 2 H VAL 2 -2.535 -6.065 26.102 13 HA VAL 2 HA VAL 2 -1.686 -3.440 25.066 14 HB VAL 2 HB VAL 2 0.633 -4.050 25.982 15 HG11 VAL 2 HG11 VAL 2 -0.751 -2.254 26.894 16 HG12 VAL 2 HG12 VAL 2 0.137 -3.085 28.172 17 HG13 VAL 2 HG13 VAL 2 -1.580 -3.413 27.932 18 HG21 VAL 2 HG21 VAL 2 -1.038 -5.880 27.708 19 HG22 VAL 2 HG22 VAL 2 0.659 -5.480 27.973 20 HG23 VAL 2 HG23 VAL 2 0.179 -6.386 26.539 21 H LYS 3 H LYS 3 -1.760 -3.888 22.935 22 HA LYS 3 HA LYS 3 0.176 -5.676 21.810 23 HB2 LYS 3 HB2 LYS 3 -1.610 -7.265 22.412 24 HB3 LYS 3 HB3 LYS 3 -2.767 -6.314 21.497 25 HG2 LYS 3 HG2 LYS 3 -2.301 -8.003 20.025 26 HG3 LYS 3 HG3 LYS 3 -1.153 -6.771 19.504 27 HD2 LYS 3 HD2 LYS 3 -0.448 -8.968 21.443 28 HD3 LYS 3 HD3 LYS 3 -0.246 -9.121 19.699 29 HE2 LYS 3 HE2 LYS 3 1.272 -7.223 19.689 30 HE3 LYS 3 HE3 LYS 3 1.034 -7.004 21.422 31 HZ1 LYS 3 HZ1 LYS 3 2.234 -9.397 20.131 32 HZ2 LYS 3 HZ2 LYS 3 2.016 -9.174 21.801 33 HZ3 LYS 3 HZ3 LYS 3 3.087 -8.175 20.943 34 H LEU 4 H LEU 4 0.882 -4.718 20.029 35 HA LEU 4 HA LEU 4 0.875 -3.898 17.908 36 HB2 LEU 4 HB2 LEU 4 -1.280 -5.119 17.626 37 HB3 LEU 4 HB3 LEU 4 -2.123 -3.675 18.150 38 HG LEU 4 HG LEU 4 -1.315 -2.462 16.182 39 HD11 LEU 4 HD11 LEU 4 0.834 -3.597 15.927 40 HD12 LEU 4 HD12 LEU 4 -0.089 -3.617 14.425 41 HD13 LEU 4 HD13 LEU 4 -0.000 -5.067 15.427 42 HD21 LEU 4 HD21 LEU 4 -2.542 -5.134 15.512 43 HD22 LEU 4 HD22 LEU 4 -2.567 -3.697 14.489 44 HD23 LEU 4 HD23 LEU 4 -3.415 -3.693 16.035 45 H ALA 5 H ALA 5 -1.619 -2.186 19.799 46 HA ALA 5 HA ALA 5 -0.722 0.359 18.748 47 HB1 ALA 5 HB1 ALA 5 -2.556 1.309 20.047 48 HB2 ALA 5 HB2 ALA 5 -2.845 -0.256 20.802 49 HB3 ALA 5 HB3 ALA 5 -3.112 -0.051 19.072 50 H PHE 6 H PHE 6 0.147 2.031 19.957 51 HA PHE 6 HA PHE 6 1.554 1.221 22.387 52 HB2 PHE 6 HB2 PHE 6 1.915 3.635 20.592 53 HB3 PHE 6 HB3 PHE 6 2.880 3.298 22.025 54 HD1 PHE 6 HD1 PHE 6 4.347 1.283 22.062 55 HD2 PHE 6 HD2 PHE 6 2.392 2.607 18.522 56 HE1 PHE 6 HE1 PHE 6 5.910 -0.047 20.706 57 HE2 PHE 6 HE2 PHE 6 3.948 1.275 17.161 58 HZ PHE 6 HZ PHE 6 5.711 -0.053 18.253 59 HA PRO 7 HA PRO 7 -0.739 3.603 25.340 60 HB2 PRO 7 HB2 PRO 7 1.608 5.437 25.580 61 HB3 PRO 7 HB3 PRO 7 0.659 4.650 26.848 62 HG2 PRO 7 HG2 PRO 7 3.049 3.706 26.175 63 HG3 PRO 7 HG3 PRO 7 1.712 2.604 26.552 64 HD2 PRO 7 HD2 PRO 7 2.908 3.304 23.918 65 HD3 PRO 7 HD3 PRO 7 2.182 1.778 24.461 66 H ARG 8 H ARG 8 -2.076 5.355 25.428 67 HA ARG 8 HA ARG 8 -2.317 6.850 22.973 68 HB2 ARG 8 HB2 ARG 8 -3.999 6.975 25.481 69 HB3 ARG 8 HB3 ARG 8 -4.431 7.630 23.910 70 HG2 ARG 8 HG2 ARG 8 -4.562 5.411 22.972 71 HG3 ARG 8 HG3 ARG 8 -3.991 4.707 24.489 72 HD2 ARG 8 HD2 ARG 8 -6.003 5.746 25.592 73 HD3 ARG 8 HD3 ARG 8 -6.591 6.134 23.976 74 HE ARG 8 HE ARG 8 -6.840 3.813 23.540 75 HH11 ARG 8 HH11 ARG 8 -6.004 4.581 26.857 76 HH12 ARG 8 HH12 ARG 8 -6.475 3.025 27.473 77 HH21 ARG 8 HH21 ARG 8 -7.505 1.785 24.350 78 HH22 ARG 8 HH22 ARG 8 -7.365 1.439 26.043 79 H GLU 9 H GLU 9 -0.356 7.306 25.430 80 HA GLU 9 HA GLU 9 -0.793 10.158 25.808 81 HB2 GLU 9 HB2 GLU 9 -0.221 8.744 27.746 82 HB3 GLU 9 HB3 GLU 9 1.302 8.317 26.981 83 HG2 GLU 9 HG2 GLU 9 2.151 10.493 27.219 84 HG3 GLU 9 HG3 GLU 9 0.561 11.152 27.607 85 H LEU 10 H LEU 10 1.007 8.019 23.858 86 HA LEU 10 HA LEU 10 3.027 10.003 23.172 87 HB2 LEU 10 HB2 LEU 10 2.550 7.164 22.269 88 HB3 LEU 10 HB3 LEU 10 3.740 8.200 21.509 89 HG LEU 10 HG LEU 10 4.899 6.805 23.032 90 HD11 LEU 10 HD11 LEU 10 5.682 9.089 22.991 91 HD12 LEU 10 HD12 LEU 10 5.866 8.415 24.611 92 HD13 LEU 10 HD13 LEU 10 4.544 9.530 24.264 93 HD21 LEU 10 HD21 LEU 10 4.361 6.620 25.395 94 HD22 LEU 10 HD22 LEU 10 2.997 6.105 24.399 95 HD23 LEU 10 HD23 LEU 10 2.974 7.689 25.175 96 H ARG 11 H ARG 11 0.683 8.019 21.371 97 HA ARG 11 HA ARG 11 0.687 9.973 19.219 98 HB2 ARG 11 HB2 ARG 11 0.784 7.568 18.675 99 HB3 ARG 11 HB3 ARG 11 -0.775 7.335 19.456 100 HG2 ARG 11 HG2 ARG 11 -1.663 9.060 17.794 101 HG3 ARG 11 HG3 ARG 11 -0.154 8.801 16.918 102 HD2 ARG 11 HD2 ARG 11 -0.664 6.407 16.776 103 HD3 ARG 11 HD3 ARG 11 -2.183 6.687 17.625 104 HE ARG 11 HE ARG 11 -1.534 7.475 14.882 105 HH11 ARG 11 HH11 ARG 11 -3.846 7.383 17.513 106 HH12 ARG 11 HH12 ARG 11 -5.209 7.741 16.504 107 HH21 ARG 11 HH21 ARG 11 -3.346 7.952 13.541 108 HH22 ARG 11 HH22 ARG 11 -4.921 8.096 14.255 109 H LEU 12 H LEU 12 -0.802 11.515 19.025 110 HA LEU 12 HA LEU 12 -2.950 11.869 20.805 111 HB2 LEU 12 HB2 LEU 12 -2.584 13.014 18.032 112 HB3 LEU 12 HB3 LEU 12 -3.709 13.606 19.239 113 HG LEU 12 HG LEU 12 -0.699 13.652 19.470 114 HD11 LEU 12 HD11 LEU 12 -1.489 15.246 17.838 115 HD12 LEU 12 HD12 LEU 12 -0.984 16.092 19.301 116 HD13 LEU 12 HD13 LEU 12 -2.699 15.848 18.969 117 HD21 LEU 12 HD21 LEU 12 -1.075 14.968 21.488 118 HD22 LEU 12 HD22 LEU 12 -1.797 13.366 21.638 119 HD23 LEU 12 HD23 LEU 12 -2.817 14.766 21.307 120 H LEU 13 H LEU 13 -5.115 11.419 20.640 121 HA LEU 13 HA LEU 13 -5.783 9.190 18.947 122 HB2 LEU 13 HB2 LEU 13 -7.377 10.718 21.004 123 HB3 LEU 13 HB3 LEU 13 -8.047 9.397 20.068 124 HG LEU 13 HG LEU 13 -6.189 7.949 21.038 125 HD11 LEU 13 HD11 LEU 13 -4.731 9.741 21.812 126 HD12 LEU 13 HD12 LEU 13 -5.217 8.694 23.146 127 HD13 LEU 13 HD13 LEU 13 -5.976 10.274 22.943 128 HD21 LEU 13 HD21 LEU 13 -8.258 9.117 22.891 129 HD22 LEU 13 HD22 LEU 13 -7.407 7.593 23.132 130 HD23 LEU 13 HD23 LEU 13 -8.502 7.784 21.762 131 H THR 14 H THR 14 -5.639 10.081 16.901 132 HA THR 14 HA THR 14 -7.962 11.696 16.135 133 HB THR 14 HB THR 14 -6.029 13.193 16.181 134 HG1 THR 14 HG1 THR 14 -6.146 13.896 14.003 135 HG21 THR 14 HG21 THR 14 -4.109 12.844 14.698 136 HG22 THR 14 HG22 THR 14 -4.756 11.271 14.230 137 HG23 THR 14 HG23 THR 14 -4.245 11.554 15.895 138 HA PRO 15 HA PRO 15 -8.411 8.465 13.103 139 HB2 PRO 15 HB2 PRO 15 -10.148 9.678 11.420 140 HB3 PRO 15 HB3 PRO 15 -10.628 9.060 13.004 141 HG2 PRO 15 HG2 PRO 15 -10.008 11.860 12.169 142 HG3 PRO 15 HG3 PRO 15 -11.288 11.264 13.242 143 HD2 PRO 15 HD2 PRO 15 -8.959 12.380 14.143 144 HD3 PRO 15 HD3 PRO 15 -9.893 11.186 15.064 145 H SER 16 H SER 16 -6.219 8.634 12.391 146 HA SER 16 HA SER 16 -6.049 9.586 9.648 147 HB2 SER 16 HB2 SER 16 -4.026 10.358 11.771 148 HB3 SER 16 HB3 SER 16 -3.865 10.675 10.043 149 HG SER 16 HG SER 16 -6.243 11.561 10.974 150 H GLN 17 H GLN 17 -5.277 7.994 8.460 151 HA GLN 17 HA GLN 17 -4.337 5.560 9.562 152 HB2 GLN 17 HB2 GLN 17 -4.538 6.669 6.778 153 HB3 GLN 17 HB3 GLN 17 -3.725 5.138 7.066 154 HG2 GLN 17 HG2 GLN 17 -5.715 4.151 7.911 155 HG3 GLN 17 HG3 GLN 17 -6.550 5.704 7.925 156 HE21 GLN 17 HE21 GLN 17 -7.079 3.106 6.556 157 HE22 GLN 17 HE22 GLN 17 -7.260 3.519 4.879 158 H PHE 18 H PHE 18 -2.733 8.190 7.814 159 HA PHE 18 HA PHE 18 -0.223 7.038 7.532 160 HB2 PHE 18 HB2 PHE 18 -1.043 9.160 6.459 161 HB3 PHE 18 HB3 PHE 18 -0.752 9.979 7.989 162 HD1 PHE 18 HD2 PHE 18 0.837 8.246 5.163 163 HD2 PHE 18 HD1 PHE 18 1.450 10.602 8.653 164 HE1 PHE 18 HE2 PHE 18 3.173 8.628 4.493 165 HE2 PHE 18 HE1 PHE 18 3.783 10.991 7.986 166 HZ PHE 18 HZ PHE 18 4.648 10.001 5.903 167 H THR 19 H THR 19 -1.523 8.954 10.202 168 HA THR 19 HA THR 19 0.938 9.002 11.653 169 HB THR 19 HB THR 19 -1.693 9.499 12.985 170 HG1 THR 19 HG1 THR 19 -0.653 11.592 11.467 171 HG21 THR 19 HG21 THR 19 0.959 10.959 12.970 172 HG22 THR 19 HG22 THR 19 0.381 9.869 14.232 173 HG23 THR 19 HG23 THR 19 -0.446 11.401 13.943 174 H PHE 20 H PHE 20 -0.691 6.370 10.981 175 HA PHE 20 HA PHE 20 -0.246 5.212 13.645 176 HB2 PHE 20 HB2 PHE 20 -2.692 5.502 13.153 177 HB3 PHE 20 HB3 PHE 20 -2.496 4.387 11.804 178 HD1 PHE 20 HD2 PHE 20 -2.309 4.706 15.476 179 HD2 PHE 20 HD1 PHE 20 -2.434 2.040 12.159 180 HE1 PHE 20 HE2 PHE 20 -2.659 2.818 17.012 181 HE2 PHE 20 HE1 PHE 20 -2.788 0.145 13.693 182 HZ PHE 20 HZ PHE 20 -2.900 0.534 16.121 183 H VAL 21 H VAL 21 -0.597 4.511 10.171 184 HA VAL 21 HA VAL 21 0.633 1.922 10.486 185 HB VAL 21 HB VAL 21 0.488 1.738 8.039 186 HG11 VAL 21 HG11 VAL 21 -1.420 1.107 9.418 187 HG12 VAL 21 HG12 VAL 21 -1.950 1.766 7.871 188 HG13 VAL 21 HG13 VAL 21 -2.043 2.754 9.330 189 HG21 VAL 21 HG21 VAL 21 -0.587 3.492 6.724 190 HG22 VAL 21 HG22 VAL 21 0.909 4.072 7.456 191 HG23 VAL 21 HG23 VAL 21 -0.647 4.533 8.145 192 H PHE 22 H PHE 22 1.739 5.124 9.836 193 HA PHE 22 HA PHE 22 4.155 4.327 8.497 194 HB2 PHE 22 HB2 PHE 22 2.948 6.530 8.171 195 HB3 PHE 22 HB3 PHE 22 3.561 7.010 9.747 196 HD1 PHE 22 HD1 PHE 22 4.661 5.864 6.392 197 HD2 PHE 22 HD2 PHE 22 5.652 8.008 9.933 198 HE1 PHE 22 HE1 PHE 22 6.724 6.669 5.322 199 HE2 PHE 22 HE2 PHE 22 7.718 8.817 8.869 200 HZ PHE 22 HZ PHE 22 8.256 8.146 6.560 201 H GLN 23 H GLN 23 3.142 4.271 11.679 202 HA GLN 23 HA GLN 23 5.471 4.895 13.118 203 HB2 GLN 23 HB2 GLN 23 3.277 2.893 13.674 204 HB3 GLN 23 HB3 GLN 23 4.551 3.282 14.823 205 HG2 GLN 23 HG2 GLN 23 3.790 5.518 15.034 206 HG3 GLN 23 HG3 GLN 23 2.681 5.333 13.675 207 HE21 GLN 23 HE21 GLN 23 0.924 5.954 14.961 208 HE22 GLN 23 HE22 GLN 23 0.243 4.888 16.140 209 H GLN 24 H GLN 24 4.345 1.882 11.669 210 HA GLN 24 HA GLN 24 7.113 1.015 11.381 211 HB2 GLN 24 HB2 GLN 24 4.929 -0.615 12.679 212 HB3 GLN 24 HB3 GLN 24 6.363 -1.350 11.980 213 HG2 GLN 24 HG2 GLN 24 7.765 -0.080 13.531 214 HG3 GLN 24 HG3 GLN 24 6.321 0.651 14.231 215 HE21 GLN 24 HE21 GLN 24 6.829 -0.196 16.264 216 HE22 GLN 24 HE22 GLN 24 6.614 -1.875 16.637 217 HA PRO 25 HA PRO 25 4.644 0.325 7.611 218 HB2 PRO 25 HB2 PRO 25 6.161 1.829 5.945 219 HB3 PRO 25 HB3 PRO 25 4.878 2.503 6.953 220 HG2 PRO 25 HG2 PRO 25 7.787 2.770 7.210 221 HG3 PRO 25 HG3 PRO 25 6.500 3.763 7.910 222 HD2 PRO 25 HD2 PRO 25 8.043 1.678 9.168 223 HD3 PRO 25 HD3 PRO 25 6.801 2.720 9.890 224 H GLN 26 H GLN 26 5.065 -1.732 7.026 225 HA GLN 26 HA GLN 26 7.742 -2.684 6.616 226 HB2 GLN 26 HB2 GLN 26 5.112 -4.022 5.957 227 HB3 GLN 26 HB3 GLN 26 6.685 -4.804 6.010 228 HG2 GLN 26 HG2 GLN 26 5.169 -3.620 8.323 229 HG3 GLN 26 HG3 GLN 26 5.477 -5.327 8.011 230 HE21 GLN 26 HE21 GLN 26 7.579 -6.145 8.314 231 HE22 GLN 26 HE22 GLN 26 8.725 -5.312 9.314 232 H ARG 27 H ARG 27 8.755 -3.142 4.703 233 HA ARG 27 HA ARG 27 7.874 -1.612 2.434 234 HB2 ARG 27 HB2 ARG 27 10.355 -2.885 3.318 235 HB3 ARG 27 HB3 ARG 27 10.080 -3.033 1.588 236 HG2 ARG 27 HG2 ARG 27 9.991 -0.425 3.088 237 HG3 ARG 27 HG3 ARG 27 11.419 -1.047 2.253 238 HD2 ARG 27 HD2 ARG 27 8.744 -0.450 0.984 239 HD3 ARG 27 HD3 ARG 27 10.194 0.546 0.854 240 HE ARG 27 HE ARG 27 11.230 -1.495 -0.224 241 HH11 ARG 27 HH11 ARG 27 7.801 -0.806 -0.439 242 HH12 ARG 27 HH12 ARG 27 7.574 -1.722 -1.892 243 HH21 ARG 27 HH21 ARG 27 10.944 -2.690 -2.132 244 HH22 ARG 27 HH22 ARG 27 9.365 -2.805 -2.856 245 H ALA 28 H ALA 28 6.110 -2.534 1.524 246 HA ALA 28 HA ALA 28 6.511 -5.197 0.334 247 HB1 ALA 28 HB1 ALA 28 3.883 -3.962 1.150 248 HB2 ALA 28 HB2 ALA 28 4.757 -5.185 2.072 249 HB3 ALA 28 HB3 ALA 28 4.125 -5.572 0.472 250 H GLY 29 H GLY 29 5.957 -5.466 -1.803 251 HA2 GLY 29 HA2 GLY 29 5.005 -4.885 -3.868 252 HA3 GLY 29 HA3 GLY 29 4.685 -3.275 -3.241 253 H THR 30 H THR 30 5.656 -3.492 -5.725 254 HA THR 30 HA THR 30 8.430 -3.461 -6.071 255 HB THR 30 HB THR 30 6.800 -1.618 -7.732 256 HG1 THR 30 HG1 THR 30 5.365 -3.090 -8.347 257 HG21 THR 30 HG21 THR 30 9.073 -2.289 -8.376 258 HG22 THR 30 HG22 THR 30 7.887 -2.848 -9.556 259 HG23 THR 30 HG23 THR 30 8.573 -3.978 -8.389 260 HA PRO 31 HA PRO 31 9.771 0.261 -4.016 261 HB2 PRO 31 HB2 PRO 31 11.533 0.628 -6.389 262 HB3 PRO 31 HB3 PRO 31 11.950 0.592 -4.671 263 HG2 PRO 31 HG2 PRO 31 12.492 -1.492 -6.231 264 HG3 PRO 31 HG3 PRO 31 11.908 -1.727 -4.574 265 HD2 PRO 31 HD2 PRO 31 10.435 -2.002 -7.160 266 HD3 PRO 31 HD3 PRO 31 10.312 -2.977 -5.681 267 H GLN 32 H GLN 32 8.991 0.373 -7.447 268 HA GLN 32 HA GLN 32 8.800 3.180 -7.703 269 HB2 GLN 32 HB2 GLN 32 7.603 0.916 -9.295 270 HB3 GLN 32 HB3 GLN 32 7.370 2.601 -9.730 271 HG2 GLN 32 HG2 GLN 32 9.136 1.706 -11.054 272 HG3 GLN 32 HG3 GLN 32 9.821 2.851 -9.906 273 HE21 GLN 32 HE21 GLN 32 11.851 2.006 -9.918 274 HE22 GLN 32 HE22 GLN 32 12.247 0.451 -9.253 275 H ILE 33 H ILE 33 6.727 0.871 -6.280 276 HA ILE 33 HA ILE 33 4.765 2.961 -5.750 277 HB ILE 33 HB ILE 33 3.764 1.841 -7.609 278 HG12 ILE 33 HG12 ILE 33 2.515 0.812 -5.055 279 HG13 ILE 33 HG13 ILE 33 2.257 2.405 -5.760 280 HG21 ILE 33 HG21 ILE 33 5.076 -0.195 -7.616 281 HG22 ILE 33 HG22 ILE 33 3.355 -0.570 -7.681 282 HG23 ILE 33 HG23 ILE 33 4.242 -0.760 -6.169 283 HD11 ILE 33 HD11 ILE 33 1.499 -0.217 -7.027 284 HD12 ILE 33 HD12 ILE 33 1.224 1.386 -7.710 285 HD13 ILE 33 HD13 ILE 33 0.402 0.907 -6.224 286 H THR 34 H THR 34 5.298 3.116 -3.644 287 HA THR 34 HA THR 34 5.953 0.726 -2.141 288 HB THR 34 HB THR 34 5.954 3.577 -1.143 289 HG1 THR 34 HG1 THR 34 7.432 2.602 -3.081 290 HG21 THR 34 HG21 THR 34 7.455 1.113 -0.245 291 HG22 THR 34 HG22 THR 34 6.075 1.835 0.583 292 HG23 THR 34 HG23 THR 34 7.594 2.723 0.458 293 H ILE 35 H ILE 35 4.133 -0.383 -1.593 294 HA ILE 35 HA ILE 35 1.850 0.957 -0.452 295 HB ILE 35 HB ILE 35 2.510 -2.001 -0.545 296 HG12 ILE 35 HG12 ILE 35 0.457 -1.894 -2.160 297 HG13 ILE 35 HG13 ILE 35 0.880 -0.192 -2.303 298 HG21 ILE 35 HG21 ILE 35 0.158 -2.358 0.073 299 HG22 ILE 35 HG22 ILE 35 -0.035 -0.617 0.284 300 HG23 ILE 35 HG23 ILE 35 1.060 -1.515 1.335 301 HD11 ILE 35 HD11 ILE 35 3.105 -0.820 -3.088 302 HD12 ILE 35 HD12 ILE 35 1.833 -1.483 -4.114 303 HD13 ILE 35 HD13 ILE 35 2.665 -2.522 -2.955 304 H LEU 36 H LEU 36 2.310 1.978 1.433 305 HA LEU 36 HA LEU 36 3.959 0.712 3.442 306 HB2 LEU 36 HB2 LEU 36 2.348 3.266 3.520 307 HB3 LEU 36 HB3 LEU 36 3.428 2.723 4.790 308 HG LEU 36 HG LEU 36 4.262 3.444 1.980 309 HD11 LEU 36 HD11 LEU 36 5.307 5.391 3.030 310 HD12 LEU 36 HD12 LEU 36 4.629 4.915 4.587 311 HD13 LEU 36 HD13 LEU 36 3.560 5.389 3.268 312 HD21 LEU 36 HD21 LEU 36 5.665 1.703 3.009 313 HD22 LEU 36 HD22 LEU 36 5.929 2.756 4.399 314 HD23 LEU 36 HD23 LEU 36 6.535 3.223 2.811 315 H GLY 37 H GLY 37 3.064 -0.993 4.386 316 HA2 GLY 37 HA2 GLY 37 0.288 -0.711 5.339 317 HA3 GLY 37 HA3 GLY 37 0.913 -2.208 4.665 318 H ARG 38 H ARG 38 -0.228 -1.428 7.301 319 HA ARG 38 HA ARG 38 1.629 -3.034 8.838 320 HB2 ARG 38 HB2 ARG 38 2.308 -0.699 9.345 321 HB3 ARG 38 HB3 ARG 38 0.660 -0.346 9.847 322 HG2 ARG 38 HG2 ARG 38 0.879 -2.090 11.601 323 HG3 ARG 38 HG3 ARG 38 2.571 -2.274 11.141 324 HD2 ARG 38 HD2 ARG 38 2.969 0.083 11.689 325 HD3 ARG 38 HD3 ARG 38 1.277 0.254 12.164 326 HE ARG 38 HE ARG 38 2.806 -1.804 13.540 327 HH11 ARG 38 HH11 ARG 38 1.572 1.470 13.592 328 HH12 ARG 38 HH12 ARG 38 1.724 1.636 15.314 329 HH21 ARG 38 HH21 ARG 38 2.986 -1.618 15.800 330 HH22 ARG 38 HH22 ARG 38 2.482 -0.148 16.580 331 H LEU 39 H LEU 39 0.537 -4.355 10.242 332 HA LEU 39 HA LEU 39 -2.248 -4.624 10.006 333 HB2 LEU 39 HB2 LEU 39 -2.111 -6.225 11.857 334 HB3 LEU 39 HB3 LEU 39 -0.901 -6.529 10.629 335 HG LEU 39 HG LEU 39 -0.245 -5.034 13.163 336 HD11 LEU 39 HD11 LEU 39 0.536 -7.145 14.093 337 HD12 LEU 39 HD12 LEU 39 -0.074 -8.005 12.681 338 HD13 LEU 39 HD13 LEU 39 -1.197 -7.200 13.776 339 HD21 LEU 39 HD21 LEU 39 1.448 -6.625 11.231 340 HD22 LEU 39 HD22 LEU 39 2.025 -5.780 12.667 341 HD23 LEU 39 HD23 LEU 39 1.363 -4.865 11.315 342 H ASN 40 H ASN 40 -3.905 -3.747 11.046 343 HA ASN 40 HA ASN 40 -3.356 -2.163 13.446 344 HB2 ASN 40 HB2 ASN 40 -4.663 -0.282 12.619 345 HB3 ASN 40 HB3 ASN 40 -3.342 -0.622 11.513 346 HD21 ASN 40 HD21 ASN 40 -4.278 0.339 9.753 347 HD22 ASN 40 HD22 ASN 40 -5.697 -0.271 8.969 348 H SER 41 H SER 41 -5.773 -1.215 14.063 349 HA SER 41 HA SER 41 -7.370 -3.658 14.381 350 HB2 SER 41 HB2 SER 41 -7.430 -1.150 16.074 351 HB3 SER 41 HB3 SER 41 -8.200 -2.694 16.436 352 HG SER 41 HG SER 41 -5.915 -3.521 16.271 353 H LEU 42 H LEU 42 -7.357 -1.436 12.219 354 HA LEU 42 HA LEU 42 -10.047 -0.358 12.507 355 HB2 LEU 42 HB2 LEU 42 -8.038 -0.011 10.274 356 HB3 LEU 42 HB3 LEU 42 -9.552 0.860 10.435 357 HG LEU 42 HG LEU 42 -7.214 1.045 12.343 358 HD11 LEU 42 HD11 LEU 42 -6.743 2.093 10.197 359 HD12 LEU 42 HD12 LEU 42 -6.957 3.307 11.460 360 HD13 LEU 42 HD13 LEU 42 -8.250 3.003 10.299 361 HD21 LEU 42 HD21 LEU 42 -8.479 2.899 13.337 362 HD22 LEU 42 HD22 LEU 42 -9.332 1.361 13.484 363 HD23 LEU 42 HD23 LEU 42 -9.834 2.536 12.265 364 H GLY 43 H GLY 43 -8.283 -2.111 9.940 365 HA2 GLY 43 HA2 GLY 43 -8.923 -3.865 8.603 366 HA3 GLY 43 HA3 GLY 43 -10.122 -4.246 9.828 367 H HIS 44 H HIS 44 -9.598 -1.722 7.351 368 HA HIS 44 HA HIS 44 -12.274 -2.337 6.321 369 HB2 HIS 44 HB2 HIS 44 -11.281 0.351 7.220 370 HB3 HIS 44 HB3 HIS 44 -12.481 0.234 5.937 371 HD1 HIS 44 HD1 HIS 44 -12.086 0.021 9.605 372 HD2 HIS 44 HD2 HIS 44 -14.979 -0.872 6.763 373 HE1 HIS 44 HE1 HIS 44 -14.224 -0.257 10.889 374 HE2 HIS 44 HE2 HIS 44 -16.000 -0.552 9.119 375 HA PRO 45 HA PRO 45 -10.085 -2.253 2.466 376 HB2 PRO 45 HB2 PRO 45 -12.656 -1.893 1.125 377 HB3 PRO 45 HB3 PRO 45 -11.580 -3.290 1.118 378 HG2 PRO 45 HG2 PRO 45 -13.971 -3.315 2.371 379 HG3 PRO 45 HG3 PRO 45 -12.576 -4.233 2.967 380 HD2 PRO 45 HD2 PRO 45 -13.656 -1.602 3.913 381 HD3 PRO 45 HD3 PRO 45 -13.076 -2.990 4.859 382 H ARG 46 H ARG 46 -10.246 0.296 3.783 383 HA ARG 46 HA ARG 46 -11.068 2.158 1.689 384 HB2 ARG 46 HB2 ARG 46 -9.960 2.686 4.459 385 HB3 ARG 46 HB3 ARG 46 -10.518 3.919 3.335 386 HG2 ARG 46 HG2 ARG 46 -12.221 1.734 4.517 387 HG3 ARG 46 HG3 ARG 46 -12.189 3.419 5.044 388 HD2 ARG 46 HD2 ARG 46 -13.024 4.154 2.909 389 HD3 ARG 46 HD3 ARG 46 -12.906 2.521 2.256 390 HE ARG 46 HE ARG 46 -14.576 2.497 4.527 391 HH11 ARG 46 HH11 ARG 46 -14.556 3.715 1.242 392 HH12 ARG 46 HH12 ARG 46 -16.271 3.546 1.027 393 HH21 ARG 46 HH21 ARG 46 -16.847 2.282 4.251 394 HH22 ARG 46 HH22 ARG 46 -17.571 2.745 2.736 395 H ILE 47 H ILE 47 -9.572 1.669 0.124 396 HA ILE 47 HA ILE 47 -6.776 1.527 0.618 397 HB ILE 47 HB ILE 47 -7.809 0.294 -1.207 398 HG12 ILE 47 HG12 ILE 47 -5.776 2.359 -2.055 399 HG13 ILE 47 HG13 ILE 47 -5.482 0.713 -1.494 400 HG21 ILE 47 HG21 ILE 47 -9.568 1.852 -1.808 401 HG22 ILE 47 HG22 ILE 47 -8.627 1.389 -3.226 402 HG23 ILE 47 HG23 ILE 47 -8.375 2.966 -2.479 403 HD11 ILE 47 HD11 ILE 47 -6.515 -0.167 -3.511 404 HD12 ILE 47 HD12 ILE 47 -5.160 0.895 -3.885 405 HD13 ILE 47 HD13 ILE 47 -6.813 1.474 -4.081 406 H GLY 48 H GLY 48 -5.487 3.183 1.041 407 HA2 GLY 48 HA2 GLY 48 -6.260 5.861 0.108 408 HA3 GLY 48 HA3 GLY 48 -5.148 5.516 1.424 409 H LEU 49 H LEU 49 -5.412 6.393 -1.801 410 HA LEU 49 HA LEU 49 -2.711 5.447 -2.455 411 HB2 LEU 49 HB2 LEU 49 -4.503 5.011 -4.086 412 HB3 LEU 49 HB3 LEU 49 -4.803 6.734 -4.213 413 HG LEU 49 HG LEU 49 -2.520 7.039 -5.119 414 HD11 LEU 49 HD11 LEU 49 -1.246 5.094 -5.849 415 HD12 LEU 49 HD12 LEU 49 -2.435 4.025 -5.109 416 HD13 LEU 49 HD13 LEU 49 -1.459 5.090 -4.099 417 HD21 LEU 49 HD21 LEU 49 -2.979 6.026 -7.312 418 HD22 LEU 49 HD22 LEU 49 -4.395 6.828 -6.631 419 HD23 LEU 49 HD23 LEU 49 -4.269 5.070 -6.583 420 H THR 50 H THR 50 -1.020 6.774 -2.533 421 HA THR 50 HA THR 50 -1.512 9.656 -2.182 422 HB THR 50 HB THR 50 0.991 8.118 -1.464 423 HG1 THR 50 HG1 THR 50 -1.113 7.725 -0.256 424 HG21 THR 50 HG21 THR 50 1.378 10.500 -1.872 425 HG22 THR 50 HG22 THR 50 1.530 10.132 -0.152 426 HG23 THR 50 HG23 THR 50 0.070 10.913 -0.762 427 H VAL 51 H VAL 51 -1.400 10.608 -4.110 428 HA VAL 51 HA VAL 51 1.041 10.194 -5.709 429 HB VAL 51 HB VAL 51 -1.746 10.512 -6.848 430 HG11 VAL 51 HG11 VAL 51 -0.101 11.682 -8.194 431 HG12 VAL 51 HG12 VAL 51 -0.665 10.238 -9.035 432 HG13 VAL 51 HG13 VAL 51 0.912 10.240 -8.244 433 HG21 VAL 51 HG21 VAL 51 0.137 8.155 -6.938 434 HG22 VAL 51 HG22 VAL 51 -1.407 8.270 -7.783 435 HG23 VAL 51 HG23 VAL 51 -1.367 8.257 -6.021 436 H ALA 52 H ALA 52 2.068 12.067 -6.068 437 HA ALA 52 HA ALA 52 0.539 14.568 -5.875 438 HB1 ALA 52 HB1 ALA 52 3.189 14.055 -4.531 439 HB2 ALA 52 HB2 ALA 52 1.625 14.147 -3.721 440 HB3 ALA 52 HB3 ALA 52 2.289 15.572 -4.521 441 H LYS 53 H LYS 53 2.512 16.370 -6.225 442 HA LYS 53 HA LYS 53 2.776 16.523 -8.977 443 HB2 LYS 53 HB2 LYS 53 4.445 17.869 -6.850 444 HB3 LYS 53 HB3 LYS 53 4.396 18.346 -8.538 445 HG2 LYS 53 HG2 LYS 53 2.111 19.028 -8.352 446 HG3 LYS 53 HG3 LYS 53 1.994 18.350 -6.725 447 HD2 LYS 53 HD2 LYS 53 3.618 19.956 -5.907 448 HD3 LYS 53 HD3 LYS 53 3.839 20.597 -7.534 449 HE2 LYS 53 HE2 LYS 53 1.220 20.634 -6.047 450 HE3 LYS 53 HE3 LYS 53 2.368 21.970 -6.049 451 HZ1 LYS 53 HZ1 LYS 53 0.772 22.435 -7.697 452 HZ2 LYS 53 HZ2 LYS 53 0.854 20.876 -8.353 453 HZ3 LYS 53 HZ3 LYS 53 2.163 21.943 -8.536 454 H LYS 54 H LYS 54 5.270 15.579 -6.597 455 HA LYS 54 HA LYS 54 7.174 15.144 -8.736 456 HB2 LYS 54 HB2 LYS 54 8.793 14.704 -7.008 457 HB3 LYS 54 HB3 LYS 54 7.877 16.140 -6.580 458 HG2 LYS 54 HG2 LYS 54 6.558 14.862 -4.999 459 HG3 LYS 54 HG3 LYS 54 7.408 13.385 -5.459 460 HD2 LYS 54 HD2 LYS 54 8.393 14.173 -3.436 461 HD3 LYS 54 HD3 LYS 54 9.538 14.494 -4.738 462 HE2 LYS 54 HE2 LYS 54 9.460 16.420 -3.321 463 HE3 LYS 54 HE3 LYS 54 8.661 16.824 -4.840 464 HZ1 LYS 54 HZ1 LYS 54 6.521 16.422 -3.756 465 HZ2 LYS 54 HZ2 LYS 54 7.398 17.641 -2.967 466 HZ3 LYS 54 HZ3 LYS 54 7.314 16.088 -2.296 467 H ASN 55 H ASN 55 4.726 13.352 -7.421 468 HA ASN 55 HA ASN 55 6.062 10.783 -7.539 469 HB2 ASN 55 HB2 ASN 55 3.113 11.391 -7.201 470 HB3 ASN 55 HB3 ASN 55 3.874 9.820 -6.994 471 HD21 ASN 55 HD21 ASN 55 3.394 9.485 -4.900 472 HD22 ASN 55 HD22 ASN 55 3.969 10.465 -3.593 473 H VAL 56 H VAL 56 3.295 12.286 -9.196 474 HA VAL 56 HA VAL 56 4.209 11.050 -11.699 475 HB VAL 56 HB VAL 56 1.297 11.195 -10.881 476 HG11 VAL 56 HG11 VAL 56 2.646 9.969 -13.282 477 HG12 VAL 56 HG12 VAL 56 1.656 11.429 -13.273 478 HG13 VAL 56 HG13 VAL 56 0.927 9.864 -12.907 479 HG21 VAL 56 HG21 VAL 56 1.380 8.736 -10.789 480 HG22 VAL 56 HG22 VAL 56 2.416 9.483 -9.573 481 HG23 VAL 56 HG23 VAL 56 3.125 8.801 -11.036 482 H ARG 57 H ARG 57 4.538 12.604 -13.149 483 HA ARG 57 HA ARG 57 3.848 15.299 -12.391 484 HB2 ARG 57 HB2 ARG 57 6.060 14.220 -13.472 485 HB3 ARG 57 HB3 ARG 57 5.264 14.766 -14.940 486 HG2 ARG 57 HG2 ARG 57 5.672 16.608 -12.611 487 HG3 ARG 57 HG3 ARG 57 6.935 16.338 -13.813 488 HD2 ARG 57 HD2 ARG 57 4.142 17.321 -14.386 489 HD3 ARG 57 HD3 ARG 57 5.592 18.326 -14.318 490 HE ARG 57 HE ARG 57 6.230 16.438 -16.157 491 HH11 ARG 57 HH11 ARG 57 3.535 18.652 -15.801 492 HH12 ARG 57 HH12 ARG 57 3.240 18.761 -17.513 493 HH21 ARG 57 HH21 ARG 57 5.815 16.582 -18.413 494 HH22 ARG 57 HH22 ARG 57 4.532 17.613 -18.975 495 H ARG 58 H ARG 58 2.737 12.975 -14.751 496 HA ARG 58 HA ARG 58 1.180 15.085 -16.068 497 HB2 ARG 58 HB2 ARG 58 1.848 12.281 -16.955 498 HB3 ARG 58 HB3 ARG 58 0.697 13.313 -17.797 499 HG2 ARG 58 HG2 ARG 58 2.519 14.997 -18.067 500 HG3 ARG 58 HG3 ARG 58 3.640 13.810 -17.399 501 HD2 ARG 58 HD2 ARG 58 3.162 12.288 -19.217 502 HD3 ARG 58 HD3 ARG 58 1.941 13.391 -19.854 503 HE ARG 58 HE ARG 58 4.755 14.234 -19.657 504 HH11 ARG 58 HH11 ARG 58 1.909 13.554 -21.584 505 HH12 ARG 58 HH12 ARG 58 2.540 14.312 -23.016 506 HH21 ARG 58 HH21 ARG 58 5.595 15.205 -21.566 507 HH22 ARG 58 HH22 ARG 58 4.625 15.229 -23.009 508 H ALA 59 H ALA 59 -1.013 15.070 -16.135 509 HA ALA 59 HA ALA 59 -2.242 14.151 -13.782 510 HB1 ALA 59 HB1 ALA 59 -2.899 16.206 -14.918 511 HB2 ALA 59 HB2 ALA 59 -4.280 15.136 -14.675 512 HB3 ALA 59 HB3 ALA 59 -3.533 15.261 -16.266 513 H HIS 60 H HIS 60 -2.588 13.048 -17.149 514 HA HIS 60 HA HIS 60 -4.688 11.235 -16.685 515 HB2 HIS 60 HB2 HIS 60 -2.599 11.471 -18.819 516 HB3 HIS 60 HB3 HIS 60 -3.645 10.056 -18.772 517 HD1 HIS 60 HD1 HIS 60 -5.966 10.303 -19.672 518 HD2 HIS 60 HD2 HIS 60 -4.011 13.950 -19.271 519 HE1 HIS 60 HE1 HIS 60 -7.434 11.990 -20.827 520 HE2 HIS 60 HE2 HIS 60 -6.131 14.144 -20.747 521 H GLU 61 H GLU 61 -1.225 10.903 -16.311 522 HA GLU 61 HA GLU 61 -1.326 8.061 -16.012 523 HB2 GLU 61 HB2 GLU 61 0.869 10.046 -15.419 524 HB3 GLU 61 HB3 GLU 61 1.058 8.296 -15.357 525 HG2 GLU 61 HG2 GLU 61 0.329 9.919 -17.788 526 HG3 GLU 61 HG3 GLU 61 1.901 9.196 -17.448 527 H ARG 62 H ARG 62 -1.569 10.811 -13.867 528 HA ARG 62 HA ARG 62 -1.171 9.408 -11.436 529 HB2 ARG 62 HB2 ARG 62 -3.031 11.761 -11.839 530 HB3 ARG 62 HB3 ARG 62 -2.303 11.236 -10.329 531 HG2 ARG 62 HG2 ARG 62 -0.066 11.704 -11.615 532 HG3 ARG 62 HG3 ARG 62 -1.104 12.736 -12.597 533 HD2 ARG 62 HD2 ARG 62 -0.683 12.891 -9.616 534 HD3 ARG 62 HD3 ARG 62 -0.119 14.040 -10.825 535 HE ARG 62 HE ARG 62 -2.656 14.320 -11.251 536 HH11 ARG 62 HH11 ARG 62 -1.129 13.764 -8.155 537 HH12 ARG 62 HH12 ARG 62 -2.342 14.607 -7.246 538 HH21 ARG 62 HH21 ARG 62 -4.264 15.432 -10.070 539 HH22 ARG 62 HH22 ARG 62 -4.157 15.526 -8.333 540 H ASN 63 H ASN 63 -3.931 9.960 -13.516 541 HA ASN 63 HA ASN 63 -5.850 8.702 -11.824 542 HB2 ASN 63 HB2 ASN 63 -5.891 9.403 -14.766 543 HB3 ASN 63 HB3 ASN 63 -7.272 8.728 -13.906 544 HD21 ASN 63 HD21 ASN 63 -6.857 11.342 -15.243 545 HD22 ASN 63 HD22 ASN 63 -7.229 12.522 -14.034 546 H ARG 64 H ARG 64 -3.692 7.630 -14.361 547 HA ARG 64 HA ARG 64 -4.787 5.046 -14.709 548 HB2 ARG 64 HB2 ARG 64 -3.175 6.117 -16.277 549 HB3 ARG 64 HB3 ARG 64 -1.914 5.930 -15.070 550 HG2 ARG 64 HG2 ARG 64 -3.258 3.424 -15.629 551 HG3 ARG 64 HG3 ARG 64 -2.556 4.146 -17.077 552 HD2 ARG 64 HD2 ARG 64 -1.073 3.700 -14.489 553 HD3 ARG 64 HD3 ARG 64 -1.016 2.612 -15.876 554 HE ARG 64 HE ARG 64 -0.318 5.070 -16.875 555 HH11 ARG 64 HH11 ARG 64 0.904 2.968 -14.358 556 HH12 ARG 64 HH12 ARG 64 2.545 3.511 -14.513 557 HH21 ARG 64 HH21 ARG 64 1.816 5.793 -17.110 558 HH22 ARG 64 HH22 ARG 64 3.073 5.096 -16.127 559 H ILE 65 H ILE 65 -2.442 6.403 -12.463 560 HA ILE 65 HA ILE 65 -1.695 3.960 -11.232 561 HB ILE 65 HB ILE 65 -1.663 6.760 -10.086 562 HG12 ILE 65 HG12 ILE 65 -0.299 6.558 -12.104 563 HG13 ILE 65 HG13 ILE 65 0.726 6.735 -10.685 564 HG21 ILE 65 HG21 ILE 65 -0.227 4.283 -9.141 565 HG22 ILE 65 HG22 ILE 65 -1.583 5.067 -8.330 566 HG23 ILE 65 HG23 ILE 65 -0.039 5.907 -8.475 567 HD11 ILE 65 HD11 ILE 65 0.127 4.149 -12.104 568 HD12 ILE 65 HD12 ILE 65 1.184 4.348 -10.706 569 HD13 ILE 65 HD13 ILE 65 1.611 5.092 -12.247 570 H LYS 66 H LYS 66 -4.348 6.195 -10.771 571 HA LYS 66 HA LYS 66 -5.335 5.113 -8.350 572 HB2 LYS 66 HB2 LYS 66 -6.727 6.631 -10.560 573 HB3 LYS 66 HB3 LYS 66 -7.509 6.176 -9.055 574 HG2 LYS 66 HG2 LYS 66 -5.790 7.487 -7.832 575 HG3 LYS 66 HG3 LYS 66 -5.167 8.035 -9.390 576 HD2 LYS 66 HD2 LYS 66 -7.268 9.086 -9.916 577 HD3 LYS 66 HD3 LYS 66 -8.012 8.419 -8.463 578 HE2 LYS 66 HE2 LYS 66 -6.353 9.712 -7.118 579 HE3 LYS 66 HE3 LYS 66 -5.814 10.473 -8.614 580 HZ1 LYS 66 HZ1 LYS 66 -8.037 11.366 -8.932 581 HZ2 LYS 66 HZ2 LYS 66 -7.418 11.846 -7.425 582 HZ3 LYS 66 HZ3 LYS 66 -8.574 10.603 -7.511 583 H ARG 67 H ARG 67 -5.259 3.861 -11.494 584 HA ARG 67 HA ARG 67 -7.455 2.014 -10.956 585 HB2 ARG 67 HB2 ARG 67 -5.739 2.433 -13.400 586 HB3 ARG 67 HB3 ARG 67 -6.920 1.140 -13.257 587 HG2 ARG 67 HG2 ARG 67 -8.636 2.962 -12.823 588 HG3 ARG 67 HG3 ARG 67 -7.400 4.098 -13.373 589 HD2 ARG 67 HD2 ARG 67 -8.918 3.424 -15.188 590 HD3 ARG 67 HD3 ARG 67 -7.246 2.947 -15.499 591 HE ARG 67 HE ARG 67 -8.913 0.928 -14.234 592 HH11 ARG 67 HH11 ARG 67 -7.636 2.217 -17.241 593 HH12 ARG 67 HH12 ARG 67 -7.888 0.737 -18.126 594 HH21 ARG 67 HH21 ARG 67 -9.214 -1.003 -15.373 595 HH22 ARG 67 HH22 ARG 67 -8.763 -1.117 -17.048 596 H LEU 68 H LEU 68 -3.976 2.018 -11.598 597 HA LEU 68 HA LEU 68 -3.377 -0.641 -11.703 598 HB2 LEU 68 HB2 LEU 68 -1.876 1.477 -11.794 599 HB3 LEU 68 HB3 LEU 68 -1.701 1.247 -10.069 600 HG LEU 68 HG LEU 68 0.188 0.359 -11.419 601 HD11 LEU 68 HD11 LEU 68 -0.213 -0.517 -9.191 602 HD12 LEU 68 HD12 LEU 68 0.375 -1.786 -10.267 603 HD13 LEU 68 HD13 LEU 68 -1.337 -1.709 -9.846 604 HD21 LEU 68 HD21 LEU 68 -1.034 -0.401 -13.361 605 HD22 LEU 68 HD22 LEU 68 -1.872 -1.613 -12.393 606 HD23 LEU 68 HD23 LEU 68 -0.134 -1.739 -12.651 607 H THR 69 H THR 69 -3.839 1.289 -8.773 608 HA THR 69 HA THR 69 -3.405 -0.994 -7.061 609 HB THR 69 HB THR 69 -4.036 0.685 -5.256 610 HG1 THR 69 HG1 THR 69 -3.515 2.818 -6.886 611 HG21 THR 69 HG21 THR 69 -1.890 1.872 -5.428 612 HG22 THR 69 HG22 THR 69 -1.730 1.327 -7.097 613 HG23 THR 69 HG23 THR 69 -1.718 0.153 -5.782 614 H ARG 70 H ARG 70 -6.097 1.260 -7.621 615 HA ARG 70 HA ARG 70 -7.887 0.005 -5.865 616 HB2 ARG 70 HB2 ARG 70 -8.094 2.327 -6.555 617 HB3 ARG 70 HB3 ARG 70 -8.421 1.832 -8.208 618 HG2 ARG 70 HG2 ARG 70 -10.473 0.683 -7.368 619 HG3 ARG 70 HG3 ARG 70 -10.165 1.424 -5.795 620 HD2 ARG 70 HD2 ARG 70 -11.776 2.681 -7.233 621 HD3 ARG 70 HD3 ARG 70 -10.377 3.621 -6.709 622 HE ARG 70 HE ARG 70 -9.550 3.591 -8.896 623 HH11 ARG 70 HH11 ARG 70 -12.580 1.851 -8.621 624 HH12 ARG 70 HH12 ARG 70 -12.846 1.791 -10.342 625 HH21 ARG 70 HH21 ARG 70 -9.910 3.539 -11.150 626 HH22 ARG 70 HH22 ARG 70 -11.319 2.746 -11.781 627 H GLU 71 H GLU 71 -7.146 -0.685 -9.203 628 HA GLU 71 HA GLU 71 -9.560 -2.130 -9.759 629 HB2 GLU 71 HB2 GLU 71 -7.531 -1.119 -11.296 630 HB3 GLU 71 HB3 GLU 71 -7.145 -2.833 -11.299 631 HG2 GLU 71 HG2 GLU 71 -8.455 -2.487 -13.201 632 HG3 GLU 71 HG3 GLU 71 -9.538 -3.224 -12.020 633 H SER 72 H SER 72 -6.370 -2.922 -8.520 634 HA SER 72 HA SER 72 -6.857 -5.768 -8.842 635 HB2 SER 72 HB2 SER 72 -4.468 -5.965 -8.063 636 HB3 SER 72 HB3 SER 72 -4.691 -5.044 -9.550 637 HG SER 72 HG SER 72 -3.947 -3.326 -8.581 638 H PHE 73 H PHE 73 -6.185 -3.458 -6.209 639 HA PHE 73 HA PHE 73 -5.937 -5.319 -4.149 640 HB2 PHE 73 HB2 PHE 73 -6.665 -2.420 -4.190 641 HB3 PHE 73 HB3 PHE 73 -6.741 -3.324 -2.682 642 HD1 PHE 73 HD2 PHE 73 -4.619 -4.670 -2.051 643 HD2 PHE 73 HD1 PHE 73 -4.659 -1.464 -4.845 644 HE1 PHE 73 HE2 PHE 73 -2.198 -4.368 -1.736 645 HE2 PHE 73 HE1 PHE 73 -2.238 -1.164 -4.540 646 HZ PHE 73 HZ PHE 73 -1.005 -2.614 -2.983 647 H ARG 74 H ARG 74 -8.862 -3.901 -5.508 648 HA ARG 74 HA ARG 74 -10.507 -4.970 -3.389 649 HB2 ARG 74 HB2 ARG 74 -12.325 -3.891 -4.410 650 HB3 ARG 74 HB3 ARG 74 -10.962 -2.822 -4.707 651 HG2 ARG 74 HG2 ARG 74 -10.751 -3.763 -6.972 652 HG3 ARG 74 HG3 ARG 74 -12.170 -4.765 -6.663 653 HD2 ARG 74 HD2 ARG 74 -13.346 -2.546 -6.104 654 HD3 ARG 74 HD3 ARG 74 -11.988 -1.786 -6.937 655 HE ARG 74 HE ARG 74 -13.990 -3.576 -8.133 656 HH11 ARG 74 HH11 ARG 74 -11.275 -1.394 -8.505 657 HH12 ARG 74 HH12 ARG 74 -11.478 -1.230 -10.228 658 HH21 ARG 74 HH21 ARG 74 -14.263 -3.346 -10.396 659 HH22 ARG 74 HH22 ARG 74 -13.184 -2.322 -11.290 660 H LEU 75 H LEU 75 -9.311 -6.070 -6.416 661 HA LEU 75 HA LEU 75 -11.499 -7.960 -6.816 662 HB2 LEU 75 HB2 LEU 75 -10.540 -6.594 -8.692 663 HB3 LEU 75 HB3 LEU 75 -9.053 -7.503 -8.522 664 HG LEU 75 HG LEU 75 -10.296 -9.581 -9.077 665 HD11 LEU 75 HD11 LEU 75 -12.536 -9.374 -10.062 666 HD12 LEU 75 HD12 LEU 75 -12.570 -7.671 -9.600 667 HD13 LEU 75 HD13 LEU 75 -12.510 -8.923 -8.359 668 HD21 LEU 75 HD21 LEU 75 -10.451 -7.346 -11.099 669 HD22 LEU 75 HD22 LEU 75 -10.571 -9.068 -11.469 670 HD23 LEU 75 HD23 LEU 75 -9.076 -8.409 -10.808 671 H ARG 76 H ARG 76 -8.932 -7.935 -4.910 672 HA ARG 76 HA ARG 76 -8.397 -10.816 -5.254 673 HB2 ARG 76 HB2 ARG 76 -6.451 -8.609 -4.563 674 HB3 ARG 76 HB3 ARG 76 -6.095 -10.314 -4.327 675 HG2 ARG 76 HG2 ARG 76 -6.235 -10.734 -6.680 676 HG3 ARG 76 HG3 ARG 76 -6.809 -9.091 -6.982 677 HD2 ARG 76 HD2 ARG 76 -4.721 -8.159 -6.334 678 HD3 ARG 76 HD3 ARG 76 -4.153 -9.709 -5.720 679 HE ARG 76 HE ARG 76 -4.581 -10.274 -8.307 680 HH11 ARG 76 HH11 ARG 76 -2.948 -7.581 -6.787 681 HH12 ARG 76 HH12 ARG 76 -1.736 -7.444 -8.023 682 HH21 ARG 76 HH21 ARG 76 -3.026 -10.095 -9.950 683 HH22 ARG 76 HH22 ARG 76 -1.801 -8.870 -9.847 684 H GLN 77 H GLN 77 -10.328 -9.392 -3.629 685 HA GLN 77 HA GLN 77 -9.487 -8.876 -1.024 686 HB2 GLN 77 HB2 GLN 77 -11.950 -9.121 -0.480 687 HB3 GLN 77 HB3 GLN 77 -11.531 -7.955 -1.727 688 HG2 GLN 77 HG2 GLN 77 -12.071 -9.706 -3.427 689 HG3 GLN 77 HG3 GLN 77 -12.685 -10.704 -2.110 690 HE21 GLN 77 HE21 GLN 77 -13.166 -7.799 -3.973 691 HE22 GLN 77 HE22 GLN 77 -14.817 -7.551 -3.518 692 H HIS 78 H HIS 78 -10.253 -11.963 -2.506 693 HA HIS 78 HA HIS 78 -10.538 -13.202 0.129 694 HB2 HIS 78 HB2 HIS 78 -12.025 -13.823 -1.825 695 HB3 HIS 78 HB3 HIS 78 -10.623 -14.610 -2.545 696 HD1 HIS 78 HD1 HIS 78 -12.755 -14.806 0.598 697 HD2 HIS 78 HD2 HIS 78 -10.235 -17.182 -1.709 698 HE1 HIS 78 HE1 HIS 78 -12.884 -17.114 1.600 699 HE2 HIS 78 HE2 HIS 78 -11.265 -18.510 0.263 700 H GLU 79 H GLU 79 -8.018 -12.262 -1.692 701 HA GLU 79 HA GLU 79 -6.294 -14.308 -0.468 702 HB2 GLU 79 HB2 GLU 79 -6.587 -14.599 -2.995 703 HB3 GLU 79 HB3 GLU 79 -5.730 -13.074 -3.168 704 HG2 GLU 79 HG2 GLU 79 -4.187 -14.865 -3.488 705 HG3 GLU 79 HG3 GLU 79 -3.810 -14.064 -1.965 706 H LEU 80 H LEU 80 -7.207 -11.690 0.334 707 HA LEU 80 HA LEU 80 -4.638 -10.305 0.541 708 HB2 LEU 80 HB2 LEU 80 -5.974 -9.217 -1.234 709 HB3 LEU 80 HB3 LEU 80 -7.282 -8.983 -0.093 710 HG LEU 80 HG LEU 80 -5.702 -7.565 1.274 711 HD11 LEU 80 HD11 LEU 80 -3.753 -6.651 0.134 712 HD12 LEU 80 HD12 LEU 80 -4.047 -7.719 -1.239 713 HD13 LEU 80 HD13 LEU 80 -3.614 -8.399 0.331 714 HD21 LEU 80 HD21 LEU 80 -5.937 -5.610 -0.201 715 HD22 LEU 80 HD22 LEU 80 -7.417 -6.563 -0.096 716 HD23 LEU 80 HD23 LEU 80 -6.390 -6.686 -1.524 717 HA PRO 81 HA PRO 81 -5.860 -10.386 4.882 718 HB2 PRO 81 HB2 PRO 81 -3.747 -8.295 4.972 719 HB3 PRO 81 HB3 PRO 81 -3.928 -9.750 5.958 720 HG2 PRO 81 HG2 PRO 81 -2.079 -9.610 4.039 721 HG3 PRO 81 HG3 PRO 81 -2.960 -11.114 4.366 722 HD2 PRO 81 HD2 PRO 81 -3.310 -9.158 2.139 723 HD3 PRO 81 HD3 PRO 81 -3.465 -10.927 2.124 724 H ALA 82 H ALA 82 -7.617 -9.292 5.499 725 HA ALA 82 HA ALA 82 -8.415 -6.861 4.274 726 HB1 ALA 82 HB1 ALA 82 -9.529 -8.177 6.745 727 HB2 ALA 82 HB2 ALA 82 -10.029 -8.510 5.087 728 HB3 ALA 82 HB3 ALA 82 -10.310 -6.918 5.791 729 H MET 83 H MET 83 -6.639 -5.498 4.660 730 HA MET 83 HA MET 83 -6.868 -4.031 7.186 731 HB2 MET 83 HB2 MET 83 -4.245 -4.828 5.893 732 HB3 MET 83 HB3 MET 83 -4.406 -3.728 7.250 733 HG2 MET 83 HG2 MET 83 -5.524 -6.460 7.539 734 HG3 MET 83 HG3 MET 83 -3.774 -6.279 7.543 735 HE1 MET 83 HE1 MET 83 -6.619 -4.363 10.640 736 HE2 MET 83 HE2 MET 83 -7.137 -5.509 9.404 737 HE3 MET 83 HE3 MET 83 -6.605 -3.893 8.940 738 H ASP 84 H ASP 84 -6.395 -1.797 6.942 739 HA ASP 84 HA ASP 84 -6.518 -0.884 4.180 740 HB2 ASP 84 HB2 ASP 84 -6.920 1.377 5.279 741 HB3 ASP 84 HB3 ASP 84 -8.167 0.160 5.512 742 H PHE 85 H PHE 85 -4.951 0.258 3.182 743 HA PHE 85 HA PHE 85 -2.425 0.631 4.657 744 HB2 PHE 85 HB2 PHE 85 -2.591 -0.294 1.790 745 HB3 PHE 85 HB3 PHE 85 -1.170 -0.238 2.822 746 HD1 PHE 85 HD1 PHE 85 -1.229 -1.779 4.924 747 HD2 PHE 85 HD2 PHE 85 -3.737 -2.268 1.519 748 HE1 PHE 85 HE1 PHE 85 -1.583 -4.140 5.524 749 HE2 PHE 85 HE2 PHE 85 -4.095 -4.626 2.116 750 HZ PHE 85 HZ PHE 85 -3.017 -5.566 4.120 751 H VAL 86 H VAL 86 -0.921 2.136 3.592 752 HA VAL 86 HA VAL 86 -2.316 4.094 1.893 753 HB VAL 86 HB VAL 86 -1.740 5.139 3.992 754 HG11 VAL 86 HG11 VAL 86 1.097 4.277 3.474 755 HG12 VAL 86 HG12 VAL 86 0.029 3.649 4.729 756 HG13 VAL 86 HG13 VAL 86 0.564 5.330 4.783 757 HG21 VAL 86 HG21 VAL 86 -1.512 6.488 1.963 758 HG22 VAL 86 HG22 VAL 86 0.186 6.023 1.849 759 HG23 VAL 86 HG23 VAL 86 -0.374 6.990 3.212 760 H VAL 87 H VAL 87 -1.717 3.959 -0.137 761 HA VAL 87 HA VAL 87 0.830 2.663 -0.788 762 HB VAL 87 HB VAL 87 -1.465 3.320 -2.640 763 HG11 VAL 87 HG11 VAL 87 -0.407 1.725 -4.155 764 HG12 VAL 87 HG12 VAL 87 0.904 1.488 -3.000 765 HG13 VAL 87 HG13 VAL 87 0.683 3.057 -3.772 766 HG21 VAL 87 HG21 VAL 87 -2.198 1.764 -0.923 767 HG22 VAL 87 HG22 VAL 87 -0.813 0.724 -1.250 768 HG23 VAL 87 HG23 VAL 87 -2.059 0.945 -2.478 769 H VAL 88 H VAL 88 2.492 3.972 -1.123 770 HA VAL 88 HA VAL 88 1.997 6.648 -2.225 771 HB VAL 88 HB VAL 88 4.547 5.584 -0.988 772 HG11 VAL 88 HG11 VAL 88 5.167 7.960 -0.846 773 HG12 VAL 88 HG12 VAL 88 3.680 8.389 -1.695 774 HG13 VAL 88 HG13 VAL 88 4.921 7.438 -2.513 775 HG21 VAL 88 HG21 VAL 88 2.395 7.304 0.247 776 HG22 VAL 88 HG22 VAL 88 3.939 6.887 0.993 777 HG23 VAL 88 HG23 VAL 88 2.749 5.626 0.663 778 H ALA 89 H ALA 89 1.953 6.510 -4.385 779 HA ALA 89 HA ALA 89 3.692 4.767 -5.869 780 HB1 ALA 89 HB1 ALA 89 1.452 5.303 -6.697 781 HB2 ALA 89 HB2 ALA 89 2.693 5.800 -7.848 782 HB3 ALA 89 HB3 ALA 89 1.904 7.002 -6.827 783 H LYS 90 H LYS 90 5.678 5.215 -6.575 784 HA LYS 90 HA LYS 90 6.718 7.898 -6.012 785 HB2 LYS 90 HB2 LYS 90 8.225 5.324 -6.520 786 HB3 LYS 90 HB3 LYS 90 8.926 6.855 -6.012 787 HG2 LYS 90 HG2 LYS 90 7.021 5.150 -4.417 788 HG3 LYS 90 HG3 LYS 90 8.754 5.325 -4.143 789 HD2 LYS 90 HD2 LYS 90 6.765 7.587 -4.003 790 HD3 LYS 90 HD3 LYS 90 7.351 6.686 -2.604 791 HE2 LYS 90 HE2 LYS 90 9.042 8.301 -4.511 792 HE3 LYS 90 HE3 LYS 90 8.552 8.800 -2.893 793 HZ1 LYS 90 HZ1 LYS 90 9.700 6.565 -2.234 794 HZ2 LYS 90 HZ2 LYS 90 10.620 7.962 -2.486 795 HZ3 LYS 90 HZ3 LYS 90 10.528 6.782 -3.700 796 H LYS 91 H LYS 91 8.515 8.609 -7.523 797 HA LYS 91 HA LYS 91 7.527 8.689 -10.177 798 HB2 LYS 91 HB2 LYS 91 8.778 10.568 -9.287 799 HB3 LYS 91 HB3 LYS 91 10.192 9.552 -9.042 800 HG2 LYS 91 HG2 LYS 91 10.508 9.298 -11.394 801 HG3 LYS 91 HG3 LYS 91 8.971 10.096 -11.736 802 HD2 LYS 91 HD2 LYS 91 11.266 11.433 -10.315 803 HD3 LYS 91 HD3 LYS 91 11.017 11.520 -12.060 804 HE2 LYS 91 HE2 LYS 91 8.853 12.567 -11.723 805 HE3 LYS 91 HE3 LYS 91 9.025 12.405 -9.975 806 HZ1 LYS 91 HZ1 LYS 91 9.569 14.645 -10.946 807 HZ2 LYS 91 HZ2 LYS 91 10.951 13.933 -11.624 808 HZ3 LYS 91 HZ3 LYS 91 10.753 13.966 -9.939 809 H GLY 92 H GLY 92 7.586 7.062 -11.492 810 HA2 GLY 92 HA2 GLY 92 9.546 5.779 -12.713 811 HA3 GLY 92 HA3 GLY 92 9.567 4.954 -11.157 812 H VAL 93 H VAL 93 6.871 4.880 -10.561 813 HA VAL 93 HA VAL 93 5.986 2.685 -12.120 814 HB VAL 93 HB VAL 93 5.364 3.031 -9.735 815 HG11 VAL 93 HG11 VAL 93 3.544 5.177 -10.813 816 HG12 VAL 93 HG12 VAL 93 4.953 5.423 -9.780 817 HG13 VAL 93 HG13 VAL 93 3.546 4.559 -9.160 818 HG21 VAL 93 HG21 VAL 93 4.092 1.470 -11.100 819 HG22 VAL 93 HG22 VAL 93 3.014 2.769 -11.610 820 HG23 VAL 93 HG23 VAL 93 3.049 2.265 -9.920 821 H ALA 94 H ALA 94 5.636 6.085 -12.433 822 HA ALA 94 HA ALA 94 3.394 5.979 -14.244 823 HB1 ALA 94 HB1 ALA 94 5.250 8.239 -13.504 824 HB2 ALA 94 HB2 ALA 94 3.650 7.924 -12.833 825 HB3 ALA 94 HB3 ALA 94 3.816 8.398 -14.523 826 H ASP 95 H ASP 95 6.770 5.562 -14.452 827 HA ASP 95 HA ASP 95 6.659 5.918 -17.372 828 HB2 ASP 95 HB2 ASP 95 8.074 7.651 -16.394 829 HB3 ASP 95 HB3 ASP 95 9.014 6.431 -15.540 830 H LEU 96 H LEU 96 5.941 3.700 -17.302 831 HA LEU 96 HA LEU 96 8.194 1.845 -17.379 832 HB2 LEU 96 HB2 LEU 96 5.633 1.393 -15.844 833 HB3 LEU 96 HB3 LEU 96 6.726 0.100 -16.294 834 HG LEU 96 HG LEU 96 7.440 2.420 -14.497 835 HD11 LEU 96 HD11 LEU 96 7.436 0.715 -12.711 836 HD12 LEU 96 HD12 LEU 96 6.784 -0.454 -13.858 837 HD13 LEU 96 HD13 LEU 96 5.839 0.966 -13.413 838 HD21 LEU 96 HD21 LEU 96 8.962 -0.085 -15.226 839 HD22 LEU 96 HD22 LEU 96 9.456 1.093 -14.011 840 HD23 LEU 96 HD23 LEU 96 9.370 1.561 -15.710 841 H ASP 97 H ASP 97 7.730 -0.058 -18.644 842 HA ASP 97 HA ASP 97 6.201 0.416 -20.968 843 HB2 ASP 97 HB2 ASP 97 7.329 -2.150 -19.827 844 HB3 ASP 97 HB3 ASP 97 6.541 -2.053 -21.396 845 H ASN 98 H ASN 98 4.224 -0.465 -21.652 846 HA ASN 98 HA ASN 98 2.200 -0.850 -19.742 847 HB2 ASN 98 HB2 ASN 98 1.868 -0.209 -22.152 848 HB3 ASN 98 HB3 ASN 98 2.216 -1.879 -22.590 849 HD21 ASN 98 HD21 ASN 98 -0.059 0.305 -21.182 850 HD22 ASN 98 HD22 ASN 98 -1.398 -0.795 -21.126 851 H ARG 99 H ARG 99 4.346 -3.011 -21.397 852 HA ARG 99 HA ARG 99 3.306 -5.495 -20.604 853 HB2 ARG 99 HB2 ARG 99 4.983 -5.254 -22.360 854 HB3 ARG 99 HB3 ARG 99 6.143 -4.626 -21.202 855 HG2 ARG 99 HG2 ARG 99 6.056 -6.830 -20.031 856 HG3 ARG 99 HG3 ARG 99 5.056 -7.428 -21.358 857 HD2 ARG 99 HD2 ARG 99 7.402 -8.017 -21.696 858 HD3 ARG 99 HD3 ARG 99 6.843 -6.904 -22.946 859 HE ARG 99 HE ARG 99 8.227 -5.796 -20.618 860 HH11 ARG 99 HH11 ARG 99 8.322 -6.644 -24.015 861 HH12 ARG 99 HH12 ARG 99 9.688 -5.632 -24.356 862 HH21 ARG 99 HH21 ARG 99 10.015 -4.466 -21.054 863 HH22 ARG 99 HH22 ARG 99 10.657 -4.383 -22.668 864 H ALA 100 H ALA 100 5.402 -3.175 -19.003 865 HA ALA 100 HA ALA 100 6.187 -4.955 -16.892 866 HB1 ALA 100 HB1 ALA 100 6.470 -1.957 -17.064 867 HB2 ALA 100 HB2 ALA 100 7.644 -3.132 -17.657 868 HB3 ALA 100 HB3 ALA 100 7.298 -3.024 -15.929 869 H LEU 101 H LEU 101 3.602 -2.698 -17.441 870 HA LEU 101 HA LEU 101 2.768 -2.251 -14.803 871 HB2 LEU 101 HB2 LEU 101 1.078 -2.496 -17.299 872 HB3 LEU 101 HB3 LEU 101 0.539 -1.818 -15.776 873 HG LEU 101 HG LEU 101 2.712 -0.679 -17.536 874 HD11 LEU 101 HD11 LEU 101 -0.082 0.298 -16.956 875 HD12 LEU 101 HD12 LEU 101 0.466 -0.425 -18.470 876 HD13 LEU 101 HD13 LEU 101 1.125 1.125 -17.943 877 HD21 LEU 101 HD21 LEU 101 1.507 0.364 -14.972 878 HD22 LEU 101 HD22 LEU 101 2.657 1.228 -15.995 879 HD23 LEU 101 HD23 LEU 101 3.148 -0.255 -15.173 880 H SER 102 H SER 102 2.147 -4.892 -17.041 881 HA SER 102 HA SER 102 0.277 -6.292 -15.462 882 HB2 SER 102 HB2 SER 102 0.677 -6.704 -17.884 883 HB3 SER 102 HB3 SER 102 2.241 -7.410 -17.482 884 HG SER 102 HG SER 102 1.134 -9.006 -16.279 885 H GLU 103 H GLU 103 3.795 -6.296 -15.589 886 HA GLU 103 HA GLU 103 4.216 -8.496 -13.859 887 HB2 GLU 103 HB2 GLU 103 5.971 -6.119 -14.490 888 HB3 GLU 103 HB3 GLU 103 6.502 -7.527 -13.585 889 HG2 GLU 103 HG2 GLU 103 5.507 -7.566 -16.423 890 HG3 GLU 103 HG3 GLU 103 7.200 -7.590 -15.932 891 H ALA 104 H ALA 104 4.055 -5.002 -13.319 892 HA ALA 104 HA ALA 104 4.723 -4.971 -10.615 893 HB1 ALA 104 HB1 ALA 104 2.855 -3.097 -12.056 894 HB2 ALA 104 HB2 ALA 104 4.615 -2.968 -12.025 895 HB3 ALA 104 HB3 ALA 104 3.689 -2.778 -10.535 896 H LEU 105 H LEU 105 1.706 -5.732 -12.189 897 HA LEU 105 HA LEU 105 -0.071 -5.370 -10.068 898 HB2 LEU 105 HB2 LEU 105 -0.147 -7.306 -12.375 899 HB3 LEU 105 HB3 LEU 105 -1.477 -7.084 -11.255 900 HG LEU 105 HG LEU 105 -0.335 -4.901 -13.000 901 HD11 LEU 105 HD11 LEU 105 -2.816 -6.584 -13.316 902 HD12 LEU 105 HD12 LEU 105 -1.408 -6.566 -14.379 903 HD13 LEU 105 HD13 LEU 105 -2.444 -5.144 -14.263 904 HD21 LEU 105 HD21 LEU 105 -2.331 -3.662 -12.330 905 HD22 LEU 105 HD22 LEU 105 -1.350 -4.087 -10.928 906 HD23 LEU 105 HD23 LEU 105 -2.817 -4.999 -11.285 907 H GLU 106 H GLU 106 1.990 -8.146 -10.842 908 HA GLU 106 HA GLU 106 0.733 -9.705 -8.742 909 HB2 GLU 106 HB2 GLU 106 2.288 -11.499 -9.407 910 HB3 GLU 106 HB3 GLU 106 1.330 -10.892 -10.751 911 HG2 GLU 106 HG2 GLU 106 3.132 -9.902 -11.773 912 HG3 GLU 106 HG3 GLU 106 4.049 -9.770 -10.274 913 H LYS 107 H LYS 107 3.557 -7.743 -9.164 914 HA LYS 107 HA LYS 107 5.227 -8.900 -7.221 915 HB2 LYS 107 HB2 LYS 107 5.114 -5.980 -7.989 916 HB3 LYS 107 HB3 LYS 107 6.464 -6.812 -7.230 917 HG2 LYS 107 HG2 LYS 107 5.409 -7.224 -10.016 918 HG3 LYS 107 HG3 LYS 107 6.943 -6.493 -9.550 919 HD2 LYS 107 HD2 LYS 107 6.150 -9.356 -9.035 920 HD3 LYS 107 HD3 LYS 107 7.195 -8.814 -10.347 921 HE2 LYS 107 HE2 LYS 107 8.752 -7.894 -8.642 922 HE3 LYS 107 HE3 LYS 107 7.732 -8.601 -7.389 923 HZ1 LYS 107 HZ1 LYS 107 9.553 -10.071 -7.858 924 HZ2 LYS 107 HZ2 LYS 107 9.192 -10.068 -9.515 925 HZ3 LYS 107 HZ3 LYS 107 8.120 -10.785 -8.420 926 H LEU 108 H LEU 108 2.722 -6.419 -6.975 927 HA LEU 108 HA LEU 108 3.231 -6.057 -4.149 928 HB2 LEU 108 HB2 LEU 108 1.240 -4.517 -4.287 929 HB3 LEU 108 HB3 LEU 108 2.625 -4.078 -5.262 930 HG LEU 108 HG LEU 108 1.367 -5.235 -7.202 931 HD11 LEU 108 HD11 LEU 108 -1.069 -5.188 -7.013 932 HD12 LEU 108 HD12 LEU 108 -0.930 -4.755 -5.308 933 HD13 LEU 108 HD13 LEU 108 -0.356 -6.325 -5.868 934 HD21 LEU 108 HD21 LEU 108 1.770 -2.844 -7.067 935 HD22 LEU 108 HD22 LEU 108 0.365 -2.650 -6.017 936 HD23 LEU 108 HD23 LEU 108 0.154 -3.168 -7.689 937 H TRP 109 H TRP 109 1.924 -8.523 -5.701 938 HA TRP 109 HA TRP 109 -0.232 -8.917 -3.733 939 HB2 TRP 109 HB2 TRP 109 -1.069 -8.864 -6.033 940 HB3 TRP 109 HB3 TRP 109 0.053 -10.144 -6.483 941 HD1 TRP 109 HD1 TRP 109 -2.554 -9.854 -3.607 942 HE1 TRP 109 HE1 TRP 109 -3.959 -12.009 -3.604 943 HE3 TRP 109 HE3 TRP 109 -0.398 -12.224 -7.589 944 HZ2 TRP 109 HZ2 TRP 109 -4.134 -14.394 -5.099 945 HZ3 TRP 109 HZ3 TRP 109 -1.248 -14.442 -8.240 946 HH2 TRP 109 HH2 TRP 109 -3.076 -15.503 -7.019 947 H ARG 110 H ARG 110 2.335 -10.622 -5.536 948 HA ARG 110 HA ARG 110 2.157 -13.066 -4.193 949 HB2 ARG 110 HB2 ARG 110 4.593 -11.719 -5.371 950 HB3 ARG 110 HB3 ARG 110 4.548 -13.392 -4.839 951 HG2 ARG 110 HG2 ARG 110 2.705 -13.765 -6.504 952 HG3 ARG 110 HG3 ARG 110 3.043 -12.146 -7.124 953 HD2 ARG 110 HD2 ARG 110 5.377 -12.820 -7.535 954 HD3 ARG 110 HD3 ARG 110 4.992 -14.446 -6.976 955 HE ARG 110 HE ARG 110 3.759 -13.217 -9.369 956 HH11 ARG 110 HH11 ARG 110 5.151 -15.962 -7.694 957 HH12 ARG 110 HH12 ARG 110 4.988 -17.029 -9.051 958 HH21 ARG 110 HH21 ARG 110 3.560 -14.586 -11.149 959 HH22 ARG 110 HH22 ARG 110 4.067 -16.250 -11.023 960 H ARG 111 H ARG 111 4.446 -10.409 -3.561 961 HA ARG 111 HA ARG 111 5.442 -11.365 -1.132 962 HB2 ARG 111 HB2 ARG 111 6.583 -9.586 -2.267 963 HB3 ARG 111 HB3 ARG 111 5.158 -8.558 -2.219 964 HG2 ARG 111 HG2 ARG 111 6.789 -7.797 -0.620 965 HG3 ARG 111 HG3 ARG 111 5.363 -8.406 0.220 966 HD2 ARG 111 HD2 ARG 111 7.167 -9.274 1.425 967 HD3 ARG 111 HD3 ARG 111 6.633 -10.609 0.407 968 HE ARG 111 HE ARG 111 8.673 -9.155 -0.898 969 HH11 ARG 111 HH11 ARG 111 8.149 -11.440 1.697 970 HH12 ARG 111 HH12 ARG 111 9.778 -12.045 1.679 971 HH21 ARG 111 HH21 ARG 111 10.826 -9.912 -0.923 972 HH22 ARG 111 HH22 ARG 111 11.311 -11.155 0.200 973 H HIS 112 H HIS 112 2.441 -9.829 -1.892 974 HA HIS 112 HA HIS 112 1.906 -8.725 0.676 975 HB2 HIS 112 HB2 HIS 112 0.843 -8.309 -1.746 976 HB3 HIS 112 HB3 HIS 112 -0.345 -9.447 -1.118 977 HD1 HIS 112 HD1 HIS 112 -0.192 -6.095 -1.584 978 HD2 HIS 112 HD2 HIS 112 -0.834 -8.358 1.846 979 HE1 HIS 112 HE1 HIS 112 -1.364 -4.555 0.030 980 HE2 HIS 112 HE2 HIS 112 -1.887 -5.998 2.031 981 H CYS 113 H CYS 113 0.574 -11.578 -1.021 982 HA CYS 113 HA CYS 113 -0.842 -12.451 1.311 983 HB2 CYS 113 HB2 CYS 113 -1.721 -12.991 -0.884 984 HB3 CYS 113 HB3 CYS 113 -0.246 -13.857 -1.300 985 HG CYS 113 HG CYS 113 -2.932 -15.147 -0.202 986 H ARG 114 H ARG 114 2.201 -13.333 -0.260 987 HA ARG 114 HA ARG 114 2.703 -15.682 1.186 988 HB2 ARG 114 HB2 ARG 114 3.926 -14.937 -0.872 989 HB3 ARG 114 HB3 ARG 114 4.780 -13.763 0.120 990 HG2 ARG 114 HG2 ARG 114 6.182 -15.671 -0.192 991 HG3 ARG 114 HG3 ARG 114 5.655 -15.630 1.492 992 HD2 ARG 114 HD2 ARG 114 3.897 -17.272 0.951 993 HD3 ARG 114 HD3 ARG 114 4.505 -17.349 -0.703 994 HE ARG 114 HE ARG 114 6.323 -17.997 1.508 995 HH11 ARG 114 HH11 ARG 114 4.465 -19.043 -1.264 996 HH12 ARG 114 HH12 ARG 114 5.260 -20.581 -1.387 997 HH21 ARG 114 HH21 ARG 114 7.346 -20.024 1.387 998 HH22 ARG 114 HH22 ARG 114 6.890 -21.158 0.151 999 H LEU 115 H LEU 115 3.460 -12.303 1.908 1000 HA LEU 115 HA LEU 115 5.077 -12.812 4.172 1001 HB2 LEU 115 HB2 LEU 115 4.864 -10.659 2.825 1002 HB3 LEU 115 HB3 LEU 115 3.390 -10.352 3.718 1003 HG LEU 115 HG LEU 115 5.999 -10.780 5.157 1004 HD11 LEU 115 HD11 LEU 115 6.330 -8.369 5.155 1005 HD12 LEU 115 HD12 LEU 115 4.932 -8.162 4.102 1006 HD13 LEU 115 HD13 LEU 115 6.363 -9.004 3.509 1007 HD21 LEU 115 HD21 LEU 115 3.969 -10.836 6.501 1008 HD22 LEU 115 HD22 LEU 115 3.473 -9.276 5.842 1009 HD23 LEU 115 HD23 LEU 115 4.912 -9.388 6.858 1010 H ALA 116 H ALA 116 1.622 -12.218 3.770 1011 HA ALA 116 HA ALA 116 0.955 -12.082 6.502 1012 HB1 ALA 116 HB1 ALA 116 -0.516 -11.288 4.704 1013 HB2 ALA 116 HB2 ALA 116 -1.340 -12.417 5.779 1014 HB3 ALA 116 HB3 ALA 116 -0.783 -12.955 4.196 1015 H ARG 117 H ARG 117 1.152 -14.785 4.246 1016 HA ARG 117 HA ARG 117 0.163 -16.671 6.186 1017 HB2 ARG 117 HB2 ARG 117 1.347 -17.005 3.434 1018 HB3 ARG 117 HB3 ARG 117 0.873 -18.366 4.441 1019 HG2 ARG 117 HG2 ARG 117 -1.428 -17.387 4.535 1020 HG3 ARG 117 HG3 ARG 117 -0.899 -16.203 3.338 1021 HD2 ARG 117 HD2 ARG 117 -2.072 -18.132 2.332 1022 HD3 ARG 117 HD3 ARG 117 -0.416 -17.955 1.751 1023 HE ARG 117 HE ARG 117 0.021 -19.708 3.638 1024 HH11 ARG 117 HH11 ARG 117 -2.726 -19.604 1.450 1025 HH12 ARG 117 HH12 ARG 117 -2.954 -21.327 1.468 1026 HH21 ARG 117 HH21 ARG 117 -0.276 -21.950 3.656 1027 HH22 ARG 117 HH22 ARG 117 -1.553 -22.677 2.723 1028 H GLY 118 H GLY 118 3.322 -15.691 4.958 1029 HA2 GLY 118 HA2 GLY 118 4.786 -16.113 7.168 1030 HA3 GLY 118 HA3 GLY 118 4.661 -17.739 6.517 1031 H SER 119 H SER 119 6.331 -14.815 6.426 1032 HA SER 119 HA SER 119 8.085 -15.917 4.347 1033 HB2 SER 119 HB2 SER 119 7.287 -13.002 4.625 1034 HB3 SER 119 HB3 SER 119 8.526 -13.612 3.526 1035 HG SER 119 HG SER 119 6.004 -14.788 3.388 Start of MODEL 14 1 H1 MET 1 H1 MET 1 0.140 -15.213 23.904 2 H2 MET 1 H2 MET 1 1.010 -16.465 23.164 3 H3 MET 1 H3 MET 1 0.093 -16.782 24.547 4 HA MET 1 HA MET 1 -0.964 -17.584 22.520 5 HB2 MET 1 HB2 MET 1 -2.377 -15.329 23.954 6 HB3 MET 1 HB3 MET 1 -3.174 -16.466 22.880 7 HG2 MET 1 HG2 MET 1 -3.580 -17.190 25.092 8 HG3 MET 1 HG3 MET 1 -2.406 -18.303 24.393 9 HE1 MET 1 HE1 MET 1 -2.977 -15.292 26.819 10 HE2 MET 1 HE2 MET 1 -1.752 -14.644 25.729 11 HE3 MET 1 HE3 MET 1 -1.348 -14.984 27.414 12 H VAL 2 H VAL 2 -1.519 -17.273 20.450 13 HA VAL 2 HA VAL 2 -0.357 -15.135 19.020 14 HB VAL 2 HB VAL 2 -2.544 -16.992 18.062 15 HG11 VAL 2 HG11 VAL 2 -1.598 -16.565 15.833 16 HG12 VAL 2 HG12 VAL 2 -0.484 -15.396 16.540 17 HG13 VAL 2 HG13 VAL 2 -2.222 -15.098 16.584 18 HG21 VAL 2 HG21 VAL 2 -0.669 -18.263 18.960 19 HG22 VAL 2 HG22 VAL 2 0.448 -17.350 17.945 20 HG23 VAL 2 HG23 VAL 2 -0.750 -18.412 17.205 21 H LYS 3 H LYS 3 -1.078 -13.163 18.566 22 HA LYS 3 HA LYS 3 -3.861 -12.525 18.344 23 HB2 LYS 3 HB2 LYS 3 -3.316 -12.570 20.861 24 HB3 LYS 3 HB3 LYS 3 -2.350 -11.136 20.558 25 HG2 LYS 3 HG2 LYS 3 -4.589 -10.613 21.423 26 HG3 LYS 3 HG3 LYS 3 -4.309 -9.922 19.824 27 HD2 LYS 3 HD2 LYS 3 -6.544 -10.899 19.975 28 HD3 LYS 3 HD3 LYS 3 -5.550 -11.770 18.805 29 HE2 LYS 3 HE2 LYS 3 -5.036 -13.426 20.624 30 HE3 LYS 3 HE3 LYS 3 -6.252 -12.617 21.612 31 HZ1 LYS 3 HZ1 LYS 3 -7.123 -14.571 20.454 32 HZ2 LYS 3 HZ2 LYS 3 -6.762 -13.857 18.960 33 HZ3 LYS 3 HZ3 LYS 3 -7.926 -13.151 19.980 34 H LEU 4 H LEU 4 -3.923 -9.903 18.279 35 HA LEU 4 HA LEU 4 -2.129 -9.226 16.135 36 HB2 LEU 4 HB2 LEU 4 -4.648 -8.629 16.446 37 HB3 LEU 4 HB3 LEU 4 -4.052 -7.331 17.457 38 HG LEU 4 HG LEU 4 -4.587 -6.669 15.108 39 HD11 LEU 4 HD11 LEU 4 -3.086 -5.314 16.449 40 HD12 LEU 4 HD12 LEU 4 -2.559 -5.339 14.766 41 HD13 LEU 4 HD13 LEU 4 -1.719 -6.320 15.968 42 HD21 LEU 4 HD21 LEU 4 -3.812 -8.743 14.038 43 HD22 LEU 4 HD22 LEU 4 -2.149 -8.309 14.432 44 HD23 LEU 4 HD23 LEU 4 -3.082 -7.306 13.324 45 H ALA 5 H ALA 5 -0.170 -8.410 16.471 46 HA ALA 5 HA ALA 5 0.467 -7.117 19.006 47 HB1 ALA 5 HB1 ALA 5 2.796 -7.283 18.268 48 HB2 ALA 5 HB2 ALA 5 2.259 -7.931 16.719 49 HB3 ALA 5 HB3 ALA 5 1.985 -8.847 18.199 50 H PHE 6 H PHE 6 0.644 -4.971 19.211 51 HA PHE 6 HA PHE 6 1.157 -3.296 16.895 52 HB2 PHE 6 HB2 PHE 6 -0.845 -1.885 17.329 53 HB3 PHE 6 HB3 PHE 6 -1.257 -3.512 16.797 54 HD1 PHE 6 HD1 PHE 6 -2.291 -5.099 18.328 55 HD2 PHE 6 HD2 PHE 6 -1.366 -1.132 19.559 56 HE1 PHE 6 HE1 PHE 6 -3.748 -5.371 20.293 57 HE2 PHE 6 HE2 PHE 6 -2.821 -1.398 21.524 58 HZ PHE 6 HZ PHE 6 -4.014 -3.521 21.895 59 HA PRO 7 HA PRO 7 3.299 -0.682 19.798 60 HB2 PRO 7 HB2 PRO 7 1.979 1.568 18.364 61 HB3 PRO 7 HB3 PRO 7 3.694 1.298 18.697 62 HG2 PRO 7 HG2 PRO 7 2.712 0.916 16.252 63 HG3 PRO 7 HG3 PRO 7 3.946 -0.170 16.919 64 HD2 PRO 7 HD2 PRO 7 1.007 -0.604 16.601 65 HD3 PRO 7 HD3 PRO 7 2.347 -1.752 16.402 66 H ARG 8 H ARG 8 2.840 0.424 21.701 67 HA ARG 8 HA ARG 8 0.165 0.011 22.633 68 HB2 ARG 8 HB2 ARG 8 2.583 1.187 24.001 69 HB3 ARG 8 HB3 ARG 8 1.050 0.870 24.801 70 HG2 ARG 8 HG2 ARG 8 2.933 -1.143 23.592 71 HG3 ARG 8 HG3 ARG 8 2.539 -0.924 25.297 72 HD2 ARG 8 HD2 ARG 8 0.151 -1.481 24.690 73 HD3 ARG 8 HD3 ARG 8 0.753 -1.955 23.102 74 HE ARG 8 HE ARG 8 1.456 -3.267 25.651 75 HH11 ARG 8 HH11 ARG 8 1.195 -3.350 22.146 76 HH12 ARG 8 HH12 ARG 8 1.499 -5.060 22.053 77 HH21 ARG 8 HH21 ARG 8 1.829 -5.502 25.513 78 HH22 ARG 8 HH22 ARG 8 1.829 -6.276 23.957 79 H GLU 9 H GLU 9 1.749 2.621 21.149 80 HA GLU 9 HA GLU 9 0.194 4.695 22.403 81 HB2 GLU 9 HB2 GLU 9 1.710 4.891 19.803 82 HB3 GLU 9 HB3 GLU 9 1.236 6.207 20.866 83 HG2 GLU 9 HG2 GLU 9 3.358 6.059 21.566 84 HG3 GLU 9 HG3 GLU 9 2.730 4.749 22.564 85 H LEU 10 H LEU 10 -0.876 2.303 20.654 86 HA LEU 10 HA LEU 10 -2.342 3.430 18.524 87 HB2 LEU 10 HB2 LEU 10 -1.813 0.947 19.206 88 HB3 LEU 10 HB3 LEU 10 -3.308 1.070 20.105 89 HG LEU 10 HG LEU 10 -3.417 0.003 17.801 90 HD11 LEU 10 HD11 LEU 10 -5.569 1.025 17.254 91 HD12 LEU 10 HD12 LEU 10 -5.226 2.338 18.380 92 HD13 LEU 10 HD13 LEU 10 -5.417 0.691 18.980 93 HD21 LEU 10 HD21 LEU 10 -1.997 1.574 16.618 94 HD22 LEU 10 HD22 LEU 10 -3.137 2.878 16.946 95 HD23 LEU 10 HD23 LEU 10 -3.608 1.537 15.902 96 H ARG 11 H ARG 11 -2.665 3.665 21.884 97 HA ARG 11 HA ARG 11 -5.431 3.971 22.246 98 HB2 ARG 11 HB2 ARG 11 -3.222 5.385 23.752 99 HB3 ARG 11 HB3 ARG 11 -4.862 5.100 24.319 100 HG2 ARG 11 HG2 ARG 11 -4.468 2.720 24.381 101 HG3 ARG 11 HG3 ARG 11 -2.854 2.943 23.703 102 HD2 ARG 11 HD2 ARG 11 -2.602 2.647 26.051 103 HD3 ARG 11 HD3 ARG 11 -2.303 4.347 25.697 104 HE ARG 11 HE ARG 11 -5.027 3.930 26.393 105 HH11 ARG 11 HH11 ARG 11 -1.810 4.265 27.747 106 HH12 ARG 11 HH12 ARG 11 -2.376 4.668 29.342 107 HH21 ARG 11 HH21 ARG 11 -5.785 4.487 28.486 108 HH22 ARG 11 HH22 ARG 11 -4.642 4.786 29.766 109 H LEU 12 H LEU 12 -3.047 6.044 20.841 110 HA LEU 12 HA LEU 12 -4.849 8.360 20.942 111 HB2 LEU 12 HB2 LEU 12 -2.312 8.409 21.530 112 HB3 LEU 12 HB3 LEU 12 -2.069 8.357 19.798 113 HG LEU 12 HG LEU 12 -3.646 10.513 21.212 114 HD11 LEU 12 HD11 LEU 12 -1.312 10.552 21.918 115 HD12 LEU 12 HD12 LEU 12 -1.682 11.927 20.877 116 HD13 LEU 12 HD13 LEU 12 -0.796 10.547 20.233 117 HD21 LEU 12 HD21 LEU 12 -4.248 10.228 18.862 118 HD22 LEU 12 HD22 LEU 12 -2.548 10.350 18.407 119 HD23 LEU 12 HD23 LEU 12 -3.373 11.739 19.115 120 H LEU 13 H LEU 13 -6.327 8.174 19.370 121 HA LEU 13 HA LEU 13 -5.551 7.156 16.756 122 HB2 LEU 13 HB2 LEU 13 -8.212 7.946 17.932 123 HB3 LEU 13 HB3 LEU 13 -8.019 7.538 16.240 124 HG LEU 13 HG LEU 13 -7.118 5.286 17.036 125 HD11 LEU 13 HD11 LEU 13 -8.359 6.220 19.617 126 HD12 LEU 13 HD12 LEU 13 -6.656 5.862 19.343 127 HD13 LEU 13 HD13 LEU 13 -7.852 4.570 19.264 128 HD21 LEU 13 HD21 LEU 13 -9.983 6.035 17.597 129 HD22 LEU 13 HD22 LEU 13 -9.379 4.392 17.381 130 HD23 LEU 13 HD23 LEU 13 -9.311 5.540 16.044 131 H THR 14 H THR 14 -4.609 8.550 15.417 132 HA THR 14 HA THR 14 -5.251 11.373 15.537 133 HB THR 14 HB THR 14 -3.538 11.406 13.578 134 HG1 THR 14 HG1 THR 14 -2.276 9.218 14.521 135 HG21 THR 14 HG21 THR 14 -1.665 11.364 15.170 136 HG22 THR 14 HG22 THR 14 -2.714 10.610 16.371 137 HG23 THR 14 HG23 THR 14 -3.048 12.249 15.810 138 HA PRO 15 HA PRO 15 -8.373 11.250 12.379 139 HB2 PRO 15 HB2 PRO 15 -7.402 13.995 11.797 140 HB3 PRO 15 HB3 PRO 15 -9.033 13.440 12.188 141 HG2 PRO 15 HG2 PRO 15 -7.581 14.773 13.982 142 HG3 PRO 15 HG3 PRO 15 -8.622 13.421 14.469 143 HD2 PRO 15 HD2 PRO 15 -5.650 13.493 14.112 144 HD3 PRO 15 HD3 PRO 15 -6.616 12.667 15.352 145 H SER 16 H SER 16 -5.185 12.635 11.679 146 HA SER 16 HA SER 16 -5.393 12.072 8.854 147 HB2 SER 16 HB2 SER 16 -2.903 12.808 10.410 148 HB3 SER 16 HB3 SER 16 -3.203 13.032 8.687 149 HG SER 16 HG SER 16 -4.538 14.696 9.108 150 H GLN 17 H GLN 17 -5.499 9.933 8.404 151 HA GLN 17 HA GLN 17 -4.285 7.918 9.934 152 HB2 GLN 17 HB2 GLN 17 -5.339 7.876 7.111 153 HB3 GLN 17 HB3 GLN 17 -4.753 6.444 7.945 154 HG2 GLN 17 HG2 GLN 17 -6.449 6.902 9.732 155 HG3 GLN 17 HG3 GLN 17 -7.106 8.158 8.685 156 HE21 GLN 17 HE21 GLN 17 -8.316 5.684 9.684 157 HE22 GLN 17 HE22 GLN 17 -8.804 4.797 8.285 158 H PHE 18 H PHE 18 -3.007 9.952 7.474 159 HA PHE 18 HA PHE 18 -0.853 8.423 6.560 160 HB2 PHE 18 HB2 PHE 18 -1.532 10.590 5.578 161 HB3 PHE 18 HB3 PHE 18 -0.964 11.414 7.024 162 HD1 PHE 18 HD1 PHE 18 0.140 9.349 4.159 163 HD2 PHE 18 HD2 PHE 18 1.274 12.047 7.248 164 HE1 PHE 18 HE1 PHE 18 2.379 9.554 3.155 165 HE2 PHE 18 HE2 PHE 18 3.512 12.254 6.254 166 HZ PHE 18 HZ PHE 18 4.067 11.006 4.203 167 H THR 19 H THR 19 -1.318 10.257 9.514 168 HA THR 19 HA THR 19 1.408 9.749 10.401 169 HB THR 19 HB THR 19 -0.811 11.027 12.002 170 HG1 THR 19 HG1 THR 19 1.013 12.320 10.226 171 HG21 THR 19 HG21 THR 19 1.063 12.191 13.098 172 HG22 THR 19 HG22 THR 19 2.197 11.315 12.069 173 HG23 THR 19 HG23 THR 19 1.214 10.439 13.241 174 H PHE 20 H PHE 20 -1.797 8.522 10.760 175 HA PHE 20 HA PHE 20 -1.438 7.178 13.244 176 HB2 PHE 20 HB2 PHE 20 -3.627 7.919 12.067 177 HB3 PHE 20 HB3 PHE 20 -3.482 6.414 11.170 178 HD1 PHE 20 HD1 PHE 20 -2.272 6.392 14.582 179 HD2 PHE 20 HD2 PHE 20 -5.697 5.813 12.120 180 HE1 PHE 20 HE1 PHE 20 -3.398 5.213 16.426 181 HE2 PHE 20 HE2 PHE 20 -6.822 4.632 13.958 182 HZ PHE 20 HZ PHE 20 -5.672 4.331 16.114 183 H VAL 21 H VAL 21 -0.606 6.449 9.981 184 HA VAL 21 HA VAL 21 -0.193 3.614 10.566 185 HB VAL 21 HB VAL 21 0.430 3.379 8.215 186 HG11 VAL 21 HG11 VAL 21 -1.704 3.962 7.180 187 HG12 VAL 21 HG12 VAL 21 -2.083 5.008 8.548 188 HG13 VAL 21 HG13 VAL 21 -1.936 3.268 8.786 189 HG21 VAL 21 HG21 VAL 21 0.051 6.366 8.061 190 HG22 VAL 21 HG22 VAL 21 0.274 5.298 6.676 191 HG23 VAL 21 HG23 VAL 21 1.567 5.485 7.861 192 H PHE 22 H PHE 22 1.460 6.441 11.012 193 HA PHE 22 HA PHE 22 4.035 5.580 9.999 194 HB2 PHE 22 HB2 PHE 22 3.066 7.978 9.946 195 HB3 PHE 22 HB3 PHE 22 3.548 8.061 11.637 196 HD1 PHE 22 HD1 PHE 22 4.922 7.228 8.281 197 HD2 PHE 22 HD2 PHE 22 5.670 8.802 12.161 198 HE1 PHE 22 HE1 PHE 22 7.192 7.867 7.580 199 HE2 PHE 22 HE2 PHE 22 7.942 9.439 11.468 200 HZ PHE 22 HZ PHE 22 8.704 8.974 9.177 201 H GLN 23 H GLN 23 2.440 4.602 12.577 202 HA GLN 23 HA GLN 23 4.407 4.923 14.637 203 HB2 GLN 23 HB2 GLN 23 2.002 3.116 14.390 204 HB3 GLN 23 HB3 GLN 23 3.063 3.111 15.792 205 HG2 GLN 23 HG2 GLN 23 1.518 5.498 14.799 206 HG3 GLN 23 HG3 GLN 23 1.030 4.449 16.129 207 HE21 GLN 23 HE21 GLN 23 1.072 6.081 17.645 208 HE22 GLN 23 HE22 GLN 23 2.544 6.789 18.220 209 H GLN 24 H GLN 24 3.349 2.137 12.684 210 HA GLN 24 HA GLN 24 6.070 1.252 12.414 211 HB2 GLN 24 HB2 GLN 24 5.338 0.301 14.626 212 HB3 GLN 24 HB3 GLN 24 4.094 -0.597 13.769 213 HG2 GLN 24 HG2 GLN 24 5.909 -1.658 12.417 214 HG3 GLN 24 HG3 GLN 24 7.074 -0.877 13.484 215 HE21 GLN 24 HE21 GLN 24 6.639 -3.703 13.031 216 HE22 GLN 24 HE22 GLN 24 6.233 -4.388 14.563 217 HA PRO 25 HA PRO 25 3.531 0.042 8.829 218 HB2 PRO 25 HB2 PRO 25 5.391 1.238 7.067 219 HB3 PRO 25 HB3 PRO 25 3.829 1.892 7.557 220 HG2 PRO 25 HG2 PRO 25 6.344 2.958 8.190 221 HG3 PRO 25 HG3 PRO 25 4.800 3.400 8.935 222 HD2 PRO 25 HD2 PRO 25 6.933 1.578 9.933 223 HD3 PRO 25 HD3 PRO 25 5.824 2.628 10.841 224 H GLN 26 H GLN 26 3.800 -1.922 7.948 225 HA GLN 26 HA GLN 26 6.397 -3.188 8.064 226 HB2 GLN 26 HB2 GLN 26 5.228 -5.198 7.229 227 HB3 GLN 26 HB3 GLN 26 4.463 -4.524 8.661 228 HG2 GLN 26 HG2 GLN 26 2.755 -3.485 7.247 229 HG3 GLN 26 HG3 GLN 26 3.518 -4.188 5.821 230 HE21 GLN 26 HE21 GLN 26 1.664 -5.347 5.295 231 HE22 GLN 26 HE22 GLN 26 1.159 -6.733 6.188 232 H ARG 27 H ARG 27 7.797 -3.374 6.481 233 HA ARG 27 HA ARG 27 7.424 -1.974 4.031 234 HB2 ARG 27 HB2 ARG 27 9.590 -3.121 5.498 235 HB3 ARG 27 HB3 ARG 27 9.658 -3.720 3.848 236 HG2 ARG 27 HG2 ARG 27 9.534 -0.809 4.620 237 HG3 ARG 27 HG3 ARG 27 11.004 -1.690 4.193 238 HD2 ARG 27 HD2 ARG 27 9.914 -2.233 2.000 239 HD3 ARG 27 HD3 ARG 27 8.625 -1.116 2.441 240 HE ARG 27 HE ARG 27 10.722 0.473 2.704 241 HH11 ARG 27 HH11 ARG 27 9.984 -1.832 0.176 242 HH12 ARG 27 HH12 ARG 27 10.895 -0.983 -1.038 243 HH21 ARG 27 HH21 ARG 27 11.919 1.593 1.119 244 HH22 ARG 27 HH22 ARG 27 11.986 0.966 -0.508 245 H ALA 28 H ALA 28 6.030 -2.766 2.578 246 HA ALA 28 HA ALA 28 6.608 -5.383 1.449 247 HB1 ALA 28 HB1 ALA 28 4.286 -6.110 1.512 248 HB2 ALA 28 HB2 ALA 28 3.838 -4.644 2.384 249 HB3 ALA 28 HB3 ALA 28 4.897 -5.831 3.144 250 H GLY 29 H GLY 29 7.414 -3.567 -0.034 251 HA2 GLY 29 HA2 GLY 29 5.437 -3.277 -2.154 252 HA3 GLY 29 HA3 GLY 29 6.041 -1.772 -1.473 253 H THR 30 H THR 30 6.826 -1.339 -3.626 254 HA THR 30 HA THR 30 9.380 -2.720 -4.153 255 HB THR 30 HB THR 30 9.092 -2.138 -6.541 256 HG1 THR 30 HG1 THR 30 6.578 -1.167 -5.618 257 HG21 THR 30 HG21 THR 30 6.806 -3.728 -5.372 258 HG22 THR 30 HG22 THR 30 8.403 -4.347 -5.804 259 HG23 THR 30 HG23 THR 30 7.312 -3.760 -7.060 260 HA PRO 31 HA PRO 31 11.454 1.205 -3.978 261 HB2 PRO 31 HB2 PRO 31 12.681 0.776 -6.625 262 HB3 PRO 31 HB3 PRO 31 13.450 0.929 -5.043 263 HG2 PRO 31 HG2 PRO 31 13.340 -1.422 -6.320 264 HG3 PRO 31 HG3 PRO 31 13.200 -1.314 -4.555 265 HD2 PRO 31 HD2 PRO 31 11.046 -1.678 -6.608 266 HD3 PRO 31 HD3 PRO 31 11.240 -2.468 -5.028 267 H GLN 32 H GLN 32 9.644 0.423 -6.844 268 HA GLN 32 HA GLN 32 9.637 3.151 -7.834 269 HB2 GLN 32 HB2 GLN 32 9.641 1.109 -9.333 270 HB3 GLN 32 HB3 GLN 32 7.989 0.811 -8.812 271 HG2 GLN 32 HG2 GLN 32 8.001 1.924 -10.952 272 HG3 GLN 32 HG3 GLN 32 7.317 2.986 -9.722 273 HE21 GLN 32 HE21 GLN 32 8.461 4.792 -9.064 274 HE22 GLN 32 HE22 GLN 32 9.791 5.430 -9.969 275 H ILE 33 H ILE 33 7.446 0.883 -6.256 276 HA ILE 33 HA ILE 33 5.905 3.126 -5.247 277 HB ILE 33 HB ILE 33 4.662 2.614 -7.249 278 HG12 ILE 33 HG12 ILE 33 3.214 1.421 -4.881 279 HG13 ILE 33 HG13 ILE 33 3.409 3.148 -5.164 280 HG21 ILE 33 HG21 ILE 33 4.515 -0.232 -6.270 281 HG22 ILE 33 HG22 ILE 33 5.441 0.349 -7.653 282 HG23 ILE 33 HG23 ILE 33 3.680 0.419 -7.679 283 HD11 ILE 33 HD11 ILE 33 1.968 1.227 -6.977 284 HD12 ILE 33 HD12 ILE 33 2.134 2.966 -7.221 285 HD13 ILE 33 HD13 ILE 33 1.211 2.352 -5.849 286 H THR 34 H THR 34 5.680 2.843 -3.131 287 HA THR 34 HA THR 34 6.155 0.136 -2.083 288 HB THR 34 HB THR 34 6.532 2.755 -0.624 289 HG1 THR 34 HG1 THR 34 8.121 1.427 -2.472 290 HG21 THR 34 HG21 THR 34 6.259 0.811 0.835 291 HG22 THR 34 HG22 THR 34 7.926 1.389 0.880 292 HG23 THR 34 HG23 THR 34 7.513 -0.050 -0.054 293 H ILE 35 H ILE 35 4.454 -0.870 -1.253 294 HA ILE 35 HA ILE 35 2.185 0.686 -0.281 295 HB ILE 35 HB ILE 35 2.420 -2.315 -0.635 296 HG12 ILE 35 HG12 ILE 35 0.660 -1.796 -2.469 297 HG13 ILE 35 HG13 ILE 35 1.274 -0.150 -2.385 298 HG21 ILE 35 HG21 ILE 35 0.031 -0.592 0.008 299 HG22 ILE 35 HG22 ILE 35 0.835 -1.715 1.104 300 HG23 ILE 35 HG23 ILE 35 -0.012 -2.325 -0.317 301 HD11 ILE 35 HD11 ILE 35 3.499 -0.949 -2.981 302 HD12 ILE 35 HD12 ILE 35 2.302 -1.395 -4.197 303 HD13 ILE 35 HD13 ILE 35 2.887 -2.600 -3.052 304 H LEU 36 H LEU 36 2.517 1.371 1.749 305 HA LEU 36 HA LEU 36 3.820 -0.399 3.674 306 HB2 LEU 36 HB2 LEU 36 2.901 2.472 3.904 307 HB3 LEU 36 HB3 LEU 36 3.703 1.578 5.181 308 HG LEU 36 HG LEU 36 4.924 2.241 2.498 309 HD11 LEU 36 HD11 LEU 36 6.331 3.788 3.789 310 HD12 LEU 36 HD12 LEU 36 5.372 3.438 5.228 311 HD13 LEU 36 HD13 LEU 36 4.626 4.233 3.842 312 HD21 LEU 36 HD21 LEU 36 6.998 1.436 3.491 313 HD22 LEU 36 HD22 LEU 36 5.779 0.160 3.461 314 HD23 LEU 36 HD23 LEU 36 6.136 1.005 4.968 315 H GLY 37 H GLY 37 2.738 -1.441 5.260 316 HA2 GLY 37 HA2 GLY 37 -0.129 -0.813 5.530 317 HA3 GLY 37 HA3 GLY 37 0.427 -2.470 5.347 318 H ARG 38 H ARG 38 -1.120 -1.560 7.480 319 HA ARG 38 HA ARG 38 0.772 -2.097 9.664 320 HB2 ARG 38 HB2 ARG 38 -0.728 -0.722 11.146 321 HB3 ARG 38 HB3 ARG 38 0.177 0.198 9.952 322 HG2 ARG 38 HG2 ARG 38 -1.794 0.342 8.540 323 HG3 ARG 38 HG3 ARG 38 -2.708 -0.623 9.699 324 HD2 ARG 38 HD2 ARG 38 -2.459 1.097 11.381 325 HD3 ARG 38 HD3 ARG 38 -1.427 2.038 10.302 326 HE ARG 38 HE ARG 38 -3.625 1.872 8.821 327 HH11 ARG 38 HH11 ARG 38 -3.243 2.644 12.220 328 HH12 ARG 38 HH12 ARG 38 -4.676 3.609 12.295 329 HH21 ARG 38 HH21 ARG 38 -5.518 3.128 8.903 330 HH22 ARG 38 HH22 ARG 38 -5.980 3.887 10.399 331 H LEU 39 H LEU 39 -0.095 -3.328 11.398 332 HA LEU 39 HA LEU 39 -1.895 -5.347 10.478 333 HB2 LEU 39 HB2 LEU 39 -0.497 -4.904 13.113 334 HB3 LEU 39 HB3 LEU 39 -1.582 -6.248 12.837 335 HG LEU 39 HG LEU 39 0.596 -7.100 12.568 336 HD11 LEU 39 HD11 LEU 39 -0.945 -7.900 10.891 337 HD12 LEU 39 HD12 LEU 39 0.679 -7.771 10.213 338 HD13 LEU 39 HD13 LEU 39 -0.534 -6.548 9.834 339 HD21 LEU 39 HD21 LEU 39 2.272 -6.130 11.077 340 HD22 LEU 39 HD22 LEU 39 1.801 -5.001 12.349 341 HD23 LEU 39 HD23 LEU 39 1.175 -4.796 10.713 342 H ASN 40 H ASN 40 -3.956 -4.697 10.256 343 HA ASN 40 HA ASN 40 -5.322 -3.810 12.701 344 HB2 ASN 40 HB2 ASN 40 -4.939 -1.894 11.084 345 HB3 ASN 40 HB3 ASN 40 -5.995 -2.736 9.955 346 HD21 ASN 40 HD21 ASN 40 -5.795 -1.014 12.958 347 HD22 ASN 40 HD22 ASN 40 -7.488 -0.728 13.146 348 H SER 41 H SER 41 -5.978 -5.963 12.984 349 HA SER 41 HA SER 41 -7.528 -7.284 10.939 350 HB2 SER 41 HB2 SER 41 -6.919 -8.056 13.802 351 HB3 SER 41 HB3 SER 41 -7.726 -9.092 12.622 352 HG SER 41 HG SER 41 -5.762 -8.692 11.300 353 H LEU 42 H LEU 42 -8.602 -4.799 11.783 354 HA LEU 42 HA LEU 42 -10.981 -5.596 13.304 355 HB2 LEU 42 HB2 LEU 42 -9.818 -2.893 12.656 356 HB3 LEU 42 HB3 LEU 42 -11.428 -3.085 13.315 357 HG LEU 42 HG LEU 42 -10.002 -2.520 15.125 358 HD11 LEU 42 HD11 LEU 42 -10.154 -4.486 16.581 359 HD12 LEU 42 HD12 LEU 42 -10.508 -5.490 15.175 360 HD13 LEU 42 HD13 LEU 42 -11.632 -4.220 15.660 361 HD21 LEU 42 HD21 LEU 42 -7.859 -3.059 14.092 362 HD22 LEU 42 HD22 LEU 42 -8.192 -4.780 14.278 363 HD23 LEU 42 HD23 LEU 42 -7.986 -3.762 15.705 364 H GLY 43 H GLY 43 -10.069 -5.725 10.255 365 HA2 GLY 43 HA2 GLY 43 -11.247 -5.974 8.305 366 HA3 GLY 43 HA3 GLY 43 -12.718 -5.806 9.249 367 H HIS 44 H HIS 44 -10.010 -3.634 8.384 368 HA HIS 44 HA HIS 44 -12.039 -1.719 7.426 369 HB2 HIS 44 HB2 HIS 44 -9.427 -1.156 8.834 370 HB3 HIS 44 HB3 HIS 44 -10.368 0.078 8.006 371 HD1 HIS 44 HD1 HIS 44 -9.810 -1.196 11.248 372 HD2 HIS 44 HD2 HIS 44 -13.176 0.087 9.177 373 HE1 HIS 44 HE1 HIS 44 -11.509 -0.608 13.012 374 HE2 HIS 44 HE2 HIS 44 -13.483 0.314 11.739 375 HA PRO 45 HA PRO 45 -9.452 -2.667 3.756 376 HB2 PRO 45 HB2 PRO 45 -11.909 -1.876 2.342 377 HB3 PRO 45 HB3 PRO 45 -10.977 -3.372 2.218 378 HG2 PRO 45 HG2 PRO 45 -13.393 -3.304 3.393 379 HG3 PRO 45 HG3 PRO 45 -12.101 -4.378 3.962 380 HD2 PRO 45 HD2 PRO 45 -13.017 -1.752 5.088 381 HD3 PRO 45 HD3 PRO 45 -12.573 -3.249 5.938 382 H ARG 46 H ARG 46 -8.144 -0.865 4.005 383 HA ARG 46 HA ARG 46 -9.239 1.667 2.970 384 HB2 ARG 46 HB2 ARG 46 -8.621 2.051 5.218 385 HB3 ARG 46 HB3 ARG 46 -7.144 1.114 5.062 386 HG2 ARG 46 HG2 ARG 46 -6.597 3.446 5.193 387 HG3 ARG 46 HG3 ARG 46 -6.232 2.863 3.571 388 HD2 ARG 46 HD2 ARG 46 -7.266 4.937 3.246 389 HD3 ARG 46 HD3 ARG 46 -8.525 3.750 2.913 390 HE ARG 46 HE ARG 46 -8.349 5.015 5.564 391 HH11 ARG 46 HH11 ARG 46 -10.076 4.458 2.563 392 HH12 ARG 46 HH12 ARG 46 -11.565 5.134 3.153 393 HH21 ARG 46 HH21 ARG 46 -10.309 5.969 6.310 394 HH22 ARG 46 HH22 ARG 46 -11.695 5.990 5.256 395 H ILE 47 H ILE 47 -8.649 1.895 0.902 396 HA ILE 47 HA ILE 47 -5.930 1.179 0.136 397 HB ILE 47 HB ILE 47 -7.667 0.530 -1.449 398 HG12 ILE 47 HG12 ILE 47 -5.895 2.747 -2.494 399 HG13 ILE 47 HG13 ILE 47 -5.461 1.048 -2.332 400 HG21 ILE 47 HG21 ILE 47 -8.302 3.466 -1.696 401 HG22 ILE 47 HG22 ILE 47 -9.350 2.210 -1.034 402 HG23 ILE 47 HG23 ILE 47 -8.928 2.195 -2.749 403 HD11 ILE 47 HD11 ILE 47 -5.965 1.612 -4.637 404 HD12 ILE 47 HD12 ILE 47 -7.574 2.160 -4.162 405 HD13 ILE 47 HD13 ILE 47 -7.139 0.459 -4.000 406 H GLY 48 H GLY 48 -4.904 2.694 1.459 407 HA2 GLY 48 HA2 GLY 48 -5.531 5.505 1.199 408 HA3 GLY 48 HA3 GLY 48 -4.277 4.796 2.208 409 H LEU 49 H LEU 49 -5.084 5.378 -1.197 410 HA LEU 49 HA LEU 49 -2.435 5.112 -2.135 411 HB2 LEU 49 HB2 LEU 49 -4.474 4.978 -3.556 412 HB3 LEU 49 HB3 LEU 49 -4.683 6.708 -3.357 413 HG LEU 49 HG LEU 49 -2.418 7.015 -4.411 414 HD11 LEU 49 HD11 LEU 49 -2.771 4.088 -5.052 415 HD12 LEU 49 HD12 LEU 49 -1.521 4.789 -4.025 416 HD13 LEU 49 HD13 LEU 49 -1.548 5.148 -5.751 417 HD21 LEU 49 HD21 LEU 49 -4.554 5.669 -6.053 418 HD22 LEU 49 HD22 LEU 49 -3.233 6.648 -6.690 419 HD23 LEU 49 HD23 LEU 49 -4.464 7.387 -5.665 420 H THR 50 H THR 50 -0.771 6.406 -1.784 421 HA THR 50 HA THR 50 -1.308 9.217 -1.111 422 HB THR 50 HB THR 50 1.203 7.658 -0.474 423 HG1 THR 50 HG1 THR 50 -0.920 6.989 0.563 424 HG21 THR 50 HG21 THR 50 0.102 10.279 0.554 425 HG22 THR 50 HG22 THR 50 1.500 10.079 -0.503 426 HG23 THR 50 HG23 THR 50 1.553 9.482 1.157 427 H VAL 51 H VAL 51 -1.443 9.806 -3.323 428 HA VAL 51 HA VAL 51 1.161 9.800 -4.703 429 HB VAL 51 HB VAL 51 -1.597 10.055 -5.926 430 HG11 VAL 51 HG11 VAL 51 1.112 9.966 -7.251 431 HG12 VAL 51 HG12 VAL 51 0.062 11.378 -7.138 432 HG13 VAL 51 HG13 VAL 51 -0.446 9.976 -8.079 433 HG21 VAL 51 HG21 VAL 51 0.420 7.819 -6.046 434 HG22 VAL 51 HG22 VAL 51 -1.082 7.891 -6.967 435 HG23 VAL 51 HG23 VAL 51 -1.130 7.788 -5.207 436 H ALA 52 H ALA 52 1.960 11.620 -3.746 437 HA ALA 52 HA ALA 52 0.497 14.065 -3.579 438 HB1 ALA 52 HB1 ALA 52 3.462 13.545 -3.334 439 HB2 ALA 52 HB2 ALA 52 2.297 13.584 -2.010 440 HB3 ALA 52 HB3 ALA 52 2.654 15.053 -2.919 441 H LYS 53 H LYS 53 0.545 15.819 -4.925 442 HA LYS 53 HA LYS 53 1.242 15.329 -7.652 443 HB2 LYS 53 HB2 LYS 53 0.625 17.953 -7.676 444 HB3 LYS 53 HB3 LYS 53 -0.566 16.666 -7.725 445 HG2 LYS 53 HG2 LYS 53 -1.483 17.899 -6.076 446 HG3 LYS 53 HG3 LYS 53 -0.390 16.938 -5.084 447 HD2 LYS 53 HD2 LYS 53 0.533 19.541 -6.220 448 HD3 LYS 53 HD3 LYS 53 -0.503 19.529 -4.796 449 HE2 LYS 53 HE2 LYS 53 1.122 18.110 -3.633 450 HE3 LYS 53 HE3 LYS 53 2.151 18.122 -5.067 451 HZ1 LYS 53 HZ1 LYS 53 2.845 19.738 -3.369 452 HZ2 LYS 53 HZ2 LYS 53 1.360 20.544 -3.538 453 HZ3 LYS 53 HZ3 LYS 53 2.442 20.479 -4.842 454 H LYS 54 H LYS 54 3.499 14.942 -6.602 455 HA LYS 54 HA LYS 54 5.185 17.065 -7.622 456 HB2 LYS 54 HB2 LYS 54 6.682 16.887 -5.576 457 HB3 LYS 54 HB3 LYS 54 5.173 17.760 -5.356 458 HG2 LYS 54 HG2 LYS 54 4.175 15.804 -4.299 459 HG3 LYS 54 HG3 LYS 54 5.674 14.906 -4.539 460 HD2 LYS 54 HD2 LYS 54 5.608 17.495 -3.019 461 HD3 LYS 54 HD3 LYS 54 5.264 15.952 -2.237 462 HE2 LYS 54 HE2 LYS 54 7.786 16.558 -3.775 463 HE3 LYS 54 HE3 LYS 54 7.631 16.701 -2.024 464 HZ1 LYS 54 HZ1 LYS 54 7.020 14.316 -1.982 465 HZ2 LYS 54 HZ2 LYS 54 8.597 14.597 -2.541 466 HZ3 LYS 54 HZ3 LYS 54 7.363 14.220 -3.642 467 H ASN 55 H ASN 55 4.638 13.819 -6.541 468 HA ASN 55 HA ASN 55 7.196 12.840 -7.485 469 HB2 ASN 55 HB2 ASN 55 4.734 11.449 -6.403 470 HB3 ASN 55 HB3 ASN 55 6.176 10.594 -6.940 471 HD21 ASN 55 HD21 ASN 55 6.358 9.751 -4.811 472 HD22 ASN 55 HD22 ASN 55 7.039 10.713 -3.543 473 H VAL 56 H VAL 56 3.881 13.058 -8.544 474 HA VAL 56 HA VAL 56 4.581 11.842 -11.121 475 HB VAL 56 HB VAL 56 1.876 12.771 -10.122 476 HG11 VAL 56 HG11 VAL 56 2.043 12.828 -12.549 477 HG12 VAL 56 HG12 VAL 56 0.985 11.516 -12.027 478 HG13 VAL 56 HG13 VAL 56 2.629 11.163 -12.560 479 HG21 VAL 56 HG21 VAL 56 2.689 10.873 -8.831 480 HG22 VAL 56 HG22 VAL 56 3.010 9.984 -10.321 481 HG23 VAL 56 HG23 VAL 56 1.352 10.393 -9.878 482 H ARG 57 H ARG 57 5.403 13.211 -12.552 483 HA ARG 57 HA ARG 57 5.371 16.021 -12.140 484 HB2 ARG 57 HB2 ARG 57 7.240 14.684 -13.153 485 HB3 ARG 57 HB3 ARG 57 6.266 14.538 -14.609 486 HG2 ARG 57 HG2 ARG 57 6.299 16.933 -14.912 487 HG3 ARG 57 HG3 ARG 57 7.184 17.136 -13.398 488 HD2 ARG 57 HD2 ARG 57 9.005 15.731 -14.366 489 HD3 ARG 57 HD3 ARG 57 8.139 15.759 -15.901 490 HE ARG 57 HE ARG 57 8.560 18.391 -14.907 491 HH11 ARG 57 HH11 ARG 57 10.176 15.725 -16.523 492 HH12 ARG 57 HH12 ARG 57 11.352 16.750 -17.288 493 HH21 ARG 57 HH21 ARG 57 10.109 19.730 -15.894 494 HH22 ARG 57 HH22 ARG 57 11.317 19.033 -16.939 495 H ARG 58 H ARG 58 3.798 13.901 -14.497 496 HA ARG 58 HA ARG 58 2.358 16.185 -15.615 497 HB2 ARG 58 HB2 ARG 58 3.425 14.372 -17.060 498 HB3 ARG 58 HB3 ARG 58 2.162 13.299 -16.479 499 HG2 ARG 58 HG2 ARG 58 1.148 13.983 -18.374 500 HG3 ARG 58 HG3 ARG 58 0.633 15.312 -17.334 501 HD2 ARG 58 HD2 ARG 58 3.112 15.384 -19.046 502 HD3 ARG 58 HD3 ARG 58 1.545 15.992 -19.572 503 HE ARG 58 HE ARG 58 1.930 17.339 -17.277 504 HH11 ARG 58 HH11 ARG 58 4.077 16.749 -19.988 505 HH12 ARG 58 HH12 ARG 58 4.849 18.305 -19.881 506 HH21 ARG 58 HH21 ARG 58 2.937 19.385 -17.133 507 HH22 ARG 58 HH22 ARG 58 4.190 19.809 -18.267 508 H ALA 59 H ALA 59 0.449 16.718 -14.801 509 HA ALA 59 HA ALA 59 -0.579 15.473 -12.531 510 HB1 ALA 59 HB1 ALA 59 -0.879 17.840 -13.064 511 HB2 ALA 59 HB2 ALA 59 -2.408 17.051 -12.677 512 HB3 ALA 59 HB3 ALA 59 -1.997 17.402 -14.356 513 H HIS 60 H HIS 60 -1.627 15.159 -15.898 514 HA HIS 60 HA HIS 60 -4.115 13.933 -15.273 515 HB2 HIS 60 HB2 HIS 60 -3.589 15.134 -17.409 516 HB3 HIS 60 HB3 HIS 60 -2.588 13.761 -17.876 517 HD1 HIS 60 HD1 HIS 60 -3.764 12.033 -19.233 518 HD2 HIS 60 HD2 HIS 60 -6.400 14.260 -16.908 519 HE1 HIS 60 HE1 HIS 60 -6.065 11.223 -19.847 520 HE2 HIS 60 HE2 HIS 60 -7.622 12.443 -18.281 521 H GLU 61 H GLU 61 -0.952 12.714 -15.194 522 HA GLU 61 HA GLU 61 -1.598 10.092 -16.204 523 HB2 GLU 61 HB2 GLU 61 0.947 10.968 -14.857 524 HB3 GLU 61 HB3 GLU 61 0.725 9.574 -15.900 525 HG2 GLU 61 HG2 GLU 61 0.670 12.470 -16.668 526 HG3 GLU 61 HG3 GLU 61 1.846 11.254 -17.147 527 H ARG 62 H ARG 62 -1.759 11.626 -13.170 528 HA ARG 62 HA ARG 62 -0.995 9.442 -11.507 529 HB2 ARG 62 HB2 ARG 62 -1.914 10.757 -9.666 530 HB3 ARG 62 HB3 ARG 62 -0.936 11.768 -10.719 531 HG2 ARG 62 HG2 ARG 62 -3.035 12.544 -11.811 532 HG3 ARG 62 HG3 ARG 62 -3.937 11.642 -10.592 533 HD2 ARG 62 HD2 ARG 62 -3.018 12.995 -8.829 534 HD3 ARG 62 HD3 ARG 62 -1.936 13.810 -9.960 535 HE ARG 62 HE ARG 62 -4.769 14.047 -10.554 536 HH11 ARG 62 HH11 ARG 62 -2.054 15.469 -8.852 537 HH12 ARG 62 HH12 ARG 62 -2.688 17.084 -8.918 538 HH21 ARG 62 HH21 ARG 62 -5.623 16.156 -10.618 539 HH22 ARG 62 HH22 ARG 62 -4.725 17.473 -9.923 540 H ASN 63 H ASN 63 -3.776 9.995 -13.341 541 HA ASN 63 HA ASN 63 -5.770 8.934 -11.638 542 HB2 ASN 63 HB2 ASN 63 -5.652 9.178 -14.646 543 HB3 ASN 63 HB3 ASN 63 -7.083 8.659 -13.761 544 HD21 ASN 63 HD21 ASN 63 -6.721 10.946 -15.479 545 HD22 ASN 63 HD22 ASN 63 -7.107 12.342 -14.513 546 H ARG 64 H ARG 64 -3.393 7.431 -13.678 547 HA ARG 64 HA ARG 64 -4.829 4.950 -13.929 548 HB2 ARG 64 HB2 ARG 64 -1.957 5.649 -14.548 549 HB3 ARG 64 HB3 ARG 64 -2.663 4.067 -14.839 550 HG2 ARG 64 HG2 ARG 64 -2.695 5.196 -16.902 551 HG3 ARG 64 HG3 ARG 64 -4.356 5.227 -16.309 552 HD2 ARG 64 HD2 ARG 64 -4.038 7.504 -15.510 553 HD3 ARG 64 HD3 ARG 64 -2.360 7.467 -16.044 554 HE ARG 64 HE ARG 64 -4.684 7.353 -17.866 555 HH11 ARG 64 HH11 ARG 64 -1.375 8.205 -17.137 556 HH12 ARG 64 HH12 ARG 64 -1.135 9.141 -18.582 557 HH21 ARG 64 HH21 ARG 64 -4.388 8.554 -19.800 558 HH22 ARG 64 HH22 ARG 64 -2.872 9.359 -20.088 559 H ILE 65 H ILE 65 -2.637 6.345 -11.676 560 HA ILE 65 HA ILE 65 -1.545 3.997 -10.561 561 HB ILE 65 HB ILE 65 -2.004 6.609 -9.119 562 HG12 ILE 65 HG12 ILE 65 -0.881 7.089 -11.222 563 HG13 ILE 65 HG13 ILE 65 0.270 7.231 -9.899 564 HG21 ILE 65 HG21 ILE 65 -1.325 4.776 -7.673 565 HG22 ILE 65 HG22 ILE 65 -0.021 5.949 -7.834 566 HG23 ILE 65 HG23 ILE 65 0.045 4.433 -8.726 567 HD11 ILE 65 HD11 ILE 65 0.012 4.882 -11.762 568 HD12 ILE 65 HD12 ILE 65 1.184 5.042 -10.452 569 HD13 ILE 65 HD13 ILE 65 1.249 6.136 -11.835 570 H LYS 66 H LYS 66 -4.396 5.928 -9.732 571 HA LYS 66 HA LYS 66 -5.072 4.325 -7.468 572 HB2 LYS 66 HB2 LYS 66 -7.168 5.598 -7.432 573 HB3 LYS 66 HB3 LYS 66 -5.779 6.662 -7.602 574 HG2 LYS 66 HG2 LYS 66 -6.221 6.949 -9.941 575 HG3 LYS 66 HG3 LYS 66 -7.523 5.760 -9.871 576 HD2 LYS 66 HD2 LYS 66 -8.847 7.177 -8.489 577 HD3 LYS 66 HD3 LYS 66 -7.508 8.308 -8.272 578 HE2 LYS 66 HE2 LYS 66 -7.662 9.097 -10.459 579 HE3 LYS 66 HE3 LYS 66 -8.583 7.694 -10.999 580 HZ1 LYS 66 HZ1 LYS 66 -9.675 9.619 -9.030 581 HZ2 LYS 66 HZ2 LYS 66 -10.510 8.479 -9.971 582 HZ3 LYS 66 HZ3 LYS 66 -9.838 9.852 -10.703 583 H ARG 67 H ARG 67 -5.843 4.245 -10.874 584 HA ARG 67 HA ARG 67 -8.060 2.478 -10.671 585 HB2 ARG 67 HB2 ARG 67 -6.189 3.090 -12.962 586 HB3 ARG 67 HB3 ARG 67 -7.576 2.020 -13.109 587 HG2 ARG 67 HG2 ARG 67 -9.042 3.897 -12.437 588 HG3 ARG 67 HG3 ARG 67 -7.626 4.955 -12.444 589 HD2 ARG 67 HD2 ARG 67 -7.262 4.507 -14.796 590 HD3 ARG 67 HD3 ARG 67 -8.589 3.347 -14.808 591 HE ARG 67 HE ARG 67 -9.227 6.098 -14.062 592 HH11 ARG 67 HH11 ARG 67 -9.297 3.543 -16.467 593 HH12 ARG 67 HH12 ARG 67 -10.453 4.356 -17.478 594 HH21 ARG 67 HH21 ARG 67 -10.749 7.174 -15.412 595 HH22 ARG 67 HH22 ARG 67 -11.287 6.392 -16.875 596 H LEU 68 H LEU 68 -4.624 1.984 -11.365 597 HA LEU 68 HA LEU 68 -4.687 -0.768 -11.811 598 HB2 LEU 68 HB2 LEU 68 -2.786 0.918 -12.175 599 HB3 LEU 68 HB3 LEU 68 -2.404 0.686 -10.484 600 HG LEU 68 HG LEU 68 -1.000 -0.619 -12.117 601 HD11 LEU 68 HD11 LEU 68 -0.993 -2.671 -10.800 602 HD12 LEU 68 HD12 LEU 68 -2.536 -2.214 -10.077 603 HD13 LEU 68 HD13 LEU 68 -1.096 -1.241 -9.772 604 HD21 LEU 68 HD21 LEU 68 -3.542 -2.204 -12.444 605 HD22 LEU 68 HD22 LEU 68 -1.955 -2.661 -13.058 606 HD23 LEU 68 HD23 LEU 68 -2.760 -1.224 -13.684 607 H THR 69 H THR 69 -4.131 1.036 -8.804 608 HA THR 69 HA THR 69 -3.799 -1.273 -7.196 609 HB THR 69 HB THR 69 -4.241 0.401 -5.295 610 HG1 THR 69 HG1 THR 69 -3.788 2.424 -7.186 611 HG21 THR 69 HG21 THR 69 -2.041 1.466 -5.595 612 HG22 THR 69 HG22 THR 69 -2.030 0.950 -7.283 613 HG23 THR 69 HG23 THR 69 -1.990 -0.253 -5.992 614 H ARG 70 H ARG 70 -6.566 0.768 -7.977 615 HA ARG 70 HA ARG 70 -8.390 -0.223 -6.100 616 HB2 ARG 70 HB2 ARG 70 -8.452 1.713 -7.986 617 HB3 ARG 70 HB3 ARG 70 -9.425 0.489 -8.781 618 HG2 ARG 70 HG2 ARG 70 -10.008 1.402 -5.988 619 HG3 ARG 70 HG3 ARG 70 -10.620 2.260 -7.398 620 HD2 ARG 70 HD2 ARG 70 -12.365 0.837 -6.817 621 HD3 ARG 70 HD3 ARG 70 -11.554 -0.013 -8.128 622 HE ARG 70 HE ARG 70 -10.561 -1.472 -6.467 623 HH11 ARG 70 HH11 ARG 70 -13.156 0.597 -5.337 624 HH12 ARG 70 HH12 ARG 70 -13.634 -0.489 -4.062 625 HH21 ARG 70 HH21 ARG 70 -11.167 -2.880 -4.772 626 HH22 ARG 70 HH22 ARG 70 -12.488 -2.460 -3.725 627 H GLU 71 H GLU 71 -7.864 -1.206 -9.496 628 HA GLU 71 HA GLU 71 -9.857 -3.225 -9.432 629 HB2 GLU 71 HB2 GLU 71 -7.542 -2.836 -11.331 630 HB3 GLU 71 HB3 GLU 71 -8.876 -3.952 -11.588 631 HG2 GLU 71 HG2 GLU 71 -9.078 -0.958 -11.373 632 HG3 GLU 71 HG3 GLU 71 -9.181 -1.903 -12.856 633 H SER 72 H SER 72 -6.416 -3.219 -8.736 634 HA SER 72 HA SER 72 -6.157 -6.054 -8.660 635 HB2 SER 72 HB2 SER 72 -4.447 -3.928 -7.351 636 HB3 SER 72 HB3 SER 72 -3.997 -5.619 -7.569 637 HG SER 72 HG SER 72 -4.191 -3.556 -9.446 638 H PHE 73 H PHE 73 -6.879 -3.567 -6.260 639 HA PHE 73 HA PHE 73 -6.803 -5.144 -3.951 640 HB2 PHE 73 HB2 PHE 73 -6.993 -2.658 -3.977 641 HB3 PHE 73 HB3 PHE 73 -8.661 -2.817 -4.516 642 HD1 PHE 73 HD2 PHE 73 -6.352 -3.583 -1.731 643 HD2 PHE 73 HD1 PHE 73 -10.398 -3.157 -2.975 644 HE1 PHE 73 HE2 PHE 73 -7.081 -3.697 0.615 645 HE2 PHE 73 HE1 PHE 73 -11.131 -3.273 -0.631 646 HZ PHE 73 HZ PHE 73 -9.474 -3.542 1.166 647 H ARG 74 H ARG 74 -9.388 -4.573 -6.285 648 HA ARG 74 HA ARG 74 -11.243 -6.264 -4.819 649 HB2 ARG 74 HB2 ARG 74 -12.823 -5.692 -6.658 650 HB3 ARG 74 HB3 ARG 74 -12.181 -4.285 -5.822 651 HG2 ARG 74 HG2 ARG 74 -10.766 -3.734 -7.621 652 HG3 ARG 74 HG3 ARG 74 -10.993 -5.309 -8.380 653 HD2 ARG 74 HD2 ARG 74 -13.167 -3.253 -8.014 654 HD3 ARG 74 HD3 ARG 74 -12.238 -3.477 -9.498 655 HE ARG 74 HE ARG 74 -13.728 -5.746 -8.384 656 HH11 ARG 74 HH11 ARG 74 -13.269 -3.398 -10.951 657 HH12 ARG 74 HH12 ARG 74 -14.355 -4.205 -12.041 658 HH21 ARG 74 HH21 ARG 74 -15.134 -6.801 -9.820 659 HH22 ARG 74 HH22 ARG 74 -15.408 -6.146 -11.407 660 H LEU 75 H LEU 75 -8.700 -7.069 -6.535 661 HA LEU 75 HA LEU 75 -10.024 -9.057 -8.234 662 HB2 LEU 75 HB2 LEU 75 -8.286 -7.678 -9.276 663 HB3 LEU 75 HB3 LEU 75 -7.123 -8.227 -8.084 664 HG LEU 75 HG LEU 75 -7.420 -10.553 -8.959 665 HD11 LEU 75 HD11 LEU 75 -9.624 -10.266 -9.961 666 HD12 LEU 75 HD12 LEU 75 -8.454 -10.851 -11.143 667 HD13 LEU 75 HD13 LEU 75 -8.944 -9.157 -11.151 668 HD21 LEU 75 HD21 LEU 75 -6.077 -10.188 -10.973 669 HD22 LEU 75 HD22 LEU 75 -5.527 -9.185 -9.631 670 HD23 LEU 75 HD23 LEU 75 -6.483 -8.472 -10.930 671 H ARG 76 H ARG 76 -8.112 -8.745 -5.348 672 HA ARG 76 HA ARG 76 -7.669 -11.658 -5.322 673 HB2 ARG 76 HB2 ARG 76 -5.638 -10.203 -5.444 674 HB3 ARG 76 HB3 ARG 76 -6.061 -9.551 -3.867 675 HG2 ARG 76 HG2 ARG 76 -5.956 -11.922 -3.001 676 HG3 ARG 76 HG3 ARG 76 -5.240 -12.360 -4.551 677 HD2 ARG 76 HD2 ARG 76 -3.366 -10.946 -4.169 678 HD3 ARG 76 HD3 ARG 76 -4.129 -10.218 -2.756 679 HE ARG 76 HE ARG 76 -3.494 -13.095 -2.758 680 HH11 ARG 76 HH11 ARG 76 -2.953 -9.879 -1.498 681 HH12 ARG 76 HH12 ARG 76 -2.130 -10.432 -0.076 682 HH21 ARG 76 HH21 ARG 76 -2.445 -13.832 -0.871 683 HH22 ARG 76 HH22 ARG 76 -1.838 -12.674 0.278 684 H GLN 77 H GLN 77 -10.039 -10.071 -4.226 685 HA GLN 77 HA GLN 77 -9.801 -10.006 -1.409 686 HB2 GLN 77 HB2 GLN 77 -12.148 -9.642 -1.294 687 HB3 GLN 77 HB3 GLN 77 -11.563 -8.794 -2.715 688 HG2 GLN 77 HG2 GLN 77 -12.654 -11.548 -3.014 689 HG3 GLN 77 HG3 GLN 77 -13.763 -10.199 -2.783 690 HE21 GLN 77 HE21 GLN 77 -11.529 -11.739 -4.938 691 HE22 GLN 77 HE22 GLN 77 -11.901 -10.776 -6.325 692 H HIS 78 H HIS 78 -10.031 -12.654 -3.484 693 HA HIS 78 HA HIS 78 -11.403 -14.405 -1.620 694 HB2 HIS 78 HB2 HIS 78 -11.792 -14.739 -3.985 695 HB3 HIS 78 HB3 HIS 78 -10.070 -14.869 -4.297 696 HD1 HIS 78 HD1 HIS 78 -12.944 -16.806 -2.818 697 HD2 HIS 78 HD2 HIS 78 -9.005 -17.393 -4.008 698 HE1 HIS 78 HE1 HIS 78 -12.599 -19.296 -2.822 699 HE2 HIS 78 HE2 HIS 78 -10.291 -19.622 -3.767 700 H GLU 79 H GLU 79 -8.265 -13.226 -2.016 701 HA GLU 79 HA GLU 79 -7.169 -15.426 -0.401 702 HB2 GLU 79 HB2 GLU 79 -6.671 -15.586 -2.939 703 HB3 GLU 79 HB3 GLU 79 -5.604 -14.217 -2.674 704 HG2 GLU 79 HG2 GLU 79 -5.085 -16.299 -0.754 705 HG3 GLU 79 HG3 GLU 79 -4.997 -16.924 -2.400 706 H LEU 80 H LEU 80 -7.917 -12.355 -0.339 707 HA LEU 80 HA LEU 80 -5.471 -11.509 1.056 708 HB2 LEU 80 HB2 LEU 80 -5.443 -10.329 -1.008 709 HB3 LEU 80 HB3 LEU 80 -7.151 -9.956 -0.900 710 HG LEU 80 HG LEU 80 -6.626 -8.505 1.085 711 HD11 LEU 80 HD11 LEU 80 -3.785 -8.940 0.183 712 HD12 LEU 80 HD12 LEU 80 -4.488 -9.490 1.704 713 HD13 LEU 80 HD13 LEU 80 -4.322 -7.764 1.382 714 HD21 LEU 80 HD21 LEU 80 -5.328 -7.803 -1.540 715 HD22 LEU 80 HD22 LEU 80 -5.744 -6.658 -0.265 716 HD23 LEU 80 HD23 LEU 80 -7.018 -7.545 -1.104 717 HA PRO 81 HA PRO 81 -8.469 -10.374 4.233 718 HB2 PRO 81 HB2 PRO 81 -6.149 -9.626 5.809 719 HB3 PRO 81 HB3 PRO 81 -7.290 -10.942 6.086 720 HG2 PRO 81 HG2 PRO 81 -4.685 -11.332 5.373 721 HG3 PRO 81 HG3 PRO 81 -5.989 -12.472 4.998 722 HD2 PRO 81 HD2 PRO 81 -4.686 -10.435 3.237 723 HD3 PRO 81 HD3 PRO 81 -5.215 -12.086 2.853 724 H ALA 82 H ALA 82 -9.397 -8.473 3.704 725 HA ALA 82 HA ALA 82 -7.954 -6.224 2.755 726 HB1 ALA 82 HB1 ALA 82 -10.097 -5.079 2.763 727 HB2 ALA 82 HB2 ALA 82 -10.801 -6.370 3.737 728 HB3 ALA 82 HB3 ALA 82 -10.261 -6.702 2.090 729 H MET 83 H MET 83 -6.638 -5.102 4.012 730 HA MET 83 HA MET 83 -7.617 -4.233 6.644 731 HB2 MET 83 HB2 MET 83 -4.803 -5.028 5.881 732 HB3 MET 83 HB3 MET 83 -5.217 -4.219 7.384 733 HG2 MET 83 HG2 MET 83 -6.689 -6.123 7.949 734 HG3 MET 83 HG3 MET 83 -6.125 -6.945 6.494 735 HE1 MET 83 HE1 MET 83 -2.296 -7.377 7.278 736 HE2 MET 83 HE2 MET 83 -3.063 -6.035 6.428 737 HE3 MET 83 HE3 MET 83 -3.583 -7.691 6.113 738 H ASP 84 H ASP 84 -5.532 -2.530 7.237 739 HA ASP 84 HA ASP 84 -6.180 -0.305 5.469 740 HB2 ASP 84 HB2 ASP 84 -6.538 -0.076 7.904 741 HB3 ASP 84 HB3 ASP 84 -4.826 -0.362 8.180 742 H PHE 85 H PHE 85 -4.797 0.190 3.892 743 HA PHE 85 HA PHE 85 -1.913 -0.122 4.370 744 HB2 PHE 85 HB2 PHE 85 -3.368 -0.895 1.829 745 HB3 PHE 85 HB3 PHE 85 -1.625 -0.907 2.046 746 HD1 PHE 85 HD2 PHE 85 -0.635 -2.505 3.733 747 HD2 PHE 85 HD1 PHE 85 -4.679 -2.735 2.428 748 HE1 PHE 85 HE2 PHE 85 -0.749 -4.840 4.503 749 HE2 PHE 85 HE1 PHE 85 -4.801 -5.069 3.197 750 HZ PHE 85 HZ PHE 85 -2.830 -6.125 4.233 751 H VAL 86 H VAL 86 -0.651 1.513 3.573 752 HA VAL 86 HA VAL 86 -2.026 3.574 1.982 753 HB VAL 86 HB VAL 86 -0.280 5.173 2.825 754 HG11 VAL 86 HG11 VAL 86 -1.391 5.554 4.962 755 HG12 VAL 86 HG12 VAL 86 -2.068 3.925 4.909 756 HG13 VAL 86 HG13 VAL 86 -2.561 5.125 3.713 757 HG21 VAL 86 HG21 VAL 86 1.369 3.488 3.562 758 HG22 VAL 86 HG22 VAL 86 0.269 3.005 4.855 759 HG23 VAL 86 HG23 VAL 86 0.954 4.631 4.840 760 H VAL 87 H VAL 87 -1.367 3.803 -0.012 761 HA VAL 87 HA VAL 87 1.024 2.342 -0.851 762 HB VAL 87 HB VAL 87 -1.190 3.470 -2.570 763 HG11 VAL 87 HG11 VAL 87 0.892 3.119 -3.772 764 HG12 VAL 87 HG12 VAL 87 -0.326 1.946 -4.274 765 HG13 VAL 87 HG13 VAL 87 0.968 1.458 -3.179 766 HG21 VAL 87 HG21 VAL 87 -2.033 1.165 -2.704 767 HG22 VAL 87 HG22 VAL 87 -2.105 1.803 -1.060 768 HG23 VAL 87 HG23 VAL 87 -0.831 0.667 -1.512 769 H VAL 88 H VAL 88 2.764 3.626 -0.721 770 HA VAL 88 HA VAL 88 2.565 6.433 -1.509 771 HB VAL 88 HB VAL 88 4.910 4.959 -0.295 772 HG11 VAL 88 HG11 VAL 88 5.743 7.220 0.215 773 HG12 VAL 88 HG12 VAL 88 4.384 7.903 -0.675 774 HG13 VAL 88 HG13 VAL 88 5.593 6.935 -1.518 775 HG21 VAL 88 HG21 VAL 88 2.999 4.976 1.224 776 HG22 VAL 88 HG22 VAL 88 2.850 6.723 1.030 777 HG23 VAL 88 HG23 VAL 88 4.278 6.040 1.810 778 H ALA 89 H ALA 89 2.852 6.848 -3.579 779 HA ALA 89 HA ALA 89 4.427 5.068 -5.248 780 HB1 ALA 89 HB1 ALA 89 2.834 7.509 -6.011 781 HB2 ALA 89 HB2 ALA 89 2.233 5.852 -6.021 782 HB3 ALA 89 HB3 ALA 89 3.534 6.326 -7.113 783 H LYS 90 H LYS 90 6.376 5.526 -6.108 784 HA LYS 90 HA LYS 90 7.684 7.982 -5.210 785 HB2 LYS 90 HB2 LYS 90 8.816 5.478 -6.477 786 HB3 LYS 90 HB3 LYS 90 9.769 6.855 -5.942 787 HG2 LYS 90 HG2 LYS 90 8.046 5.148 -4.156 788 HG3 LYS 90 HG3 LYS 90 9.794 4.990 -4.339 789 HD2 LYS 90 HD2 LYS 90 10.091 7.270 -3.514 790 HD3 LYS 90 HD3 LYS 90 8.344 7.444 -3.345 791 HE2 LYS 90 HE2 LYS 90 8.303 5.675 -1.686 792 HE3 LYS 90 HE3 LYS 90 10.031 5.403 -1.898 793 HZ1 LYS 90 HZ1 LYS 90 10.468 7.613 -1.059 794 HZ2 LYS 90 HZ2 LYS 90 9.539 6.745 0.071 795 HZ3 LYS 90 HZ3 LYS 90 8.806 7.923 -0.898 796 H LYS 91 H LYS 91 9.374 8.831 -6.885 797 HA LYS 91 HA LYS 91 7.882 9.883 -9.045 798 HB2 LYS 91 HB2 LYS 91 10.872 9.897 -8.602 799 HB3 LYS 91 HB3 LYS 91 10.020 10.871 -9.789 800 HG2 LYS 91 HG2 LYS 91 8.787 11.965 -7.925 801 HG3 LYS 91 HG3 LYS 91 9.799 11.064 -6.792 802 HD2 LYS 91 HD2 LYS 91 10.739 13.257 -7.074 803 HD3 LYS 91 HD3 LYS 91 11.799 12.085 -7.863 804 HE2 LYS 91 HE2 LYS 91 10.599 12.622 -10.012 805 HE3 LYS 91 HE3 LYS 91 9.833 13.962 -9.156 806 HZ1 LYS 91 HZ1 LYS 91 12.699 13.577 -9.776 807 HZ2 LYS 91 HZ2 LYS 91 12.182 14.681 -8.595 808 HZ3 LYS 91 HZ3 LYS 91 11.694 14.876 -10.210 809 H GLY 92 H GLY 92 7.611 9.210 -11.067 810 HA2 GLY 92 HA2 GLY 92 8.432 8.237 -13.099 811 HA3 GLY 92 HA3 GLY 92 9.431 7.162 -12.131 812 H VAL 93 H VAL 93 6.671 7.123 -10.493 813 HA VAL 93 HA VAL 93 5.932 4.533 -11.237 814 HB VAL 93 HB VAL 93 5.433 5.592 -9.042 815 HG11 VAL 93 HG11 VAL 93 3.363 6.946 -8.845 816 HG12 VAL 93 HG12 VAL 93 3.293 7.029 -10.603 817 HG13 VAL 93 HG13 VAL 93 4.649 7.754 -9.740 818 HG21 VAL 93 HG21 VAL 93 4.342 3.517 -9.645 819 HG22 VAL 93 HG22 VAL 93 3.069 4.401 -10.484 820 HG23 VAL 93 HG23 VAL 93 3.231 4.540 -8.734 821 H ALA 94 H ALA 94 4.949 7.605 -12.523 822 HA ALA 94 HA ALA 94 2.574 6.589 -13.808 823 HB1 ALA 94 HB1 ALA 94 2.684 8.906 -13.002 824 HB2 ALA 94 HB2 ALA 94 2.350 8.827 -14.732 825 HB3 ALA 94 HB3 ALA 94 3.969 9.241 -14.163 826 H ASP 95 H ASP 95 5.872 6.554 -14.475 827 HA ASP 95 HA ASP 95 5.546 6.630 -17.378 828 HB2 ASP 95 HB2 ASP 95 7.440 7.849 -16.296 829 HB3 ASP 95 HB3 ASP 95 8.078 6.306 -15.739 830 H LEU 96 H LEU 96 4.140 4.644 -16.668 831 HA LEU 96 HA LEU 96 5.730 2.200 -16.518 832 HB2 LEU 96 HB2 LEU 96 3.455 1.135 -16.160 833 HB3 LEU 96 HB3 LEU 96 4.041 2.196 -14.897 834 HG LEU 96 HG LEU 96 2.590 4.015 -15.997 835 HD11 LEU 96 HD11 LEU 96 0.645 3.199 -17.229 836 HD12 LEU 96 HD12 LEU 96 1.327 1.573 -17.234 837 HD13 LEU 96 HD13 LEU 96 2.144 2.874 -18.099 838 HD21 LEU 96 HD21 LEU 96 0.605 3.250 -14.788 839 HD22 LEU 96 HD22 LEU 96 2.080 3.009 -13.853 840 HD23 LEU 96 HD23 LEU 96 1.311 1.639 -14.656 841 H ASP 97 H ASP 97 4.834 0.315 -17.790 842 HA ASP 97 HA ASP 97 4.043 1.167 -20.498 843 HB2 ASP 97 HB2 ASP 97 6.372 0.447 -20.519 844 HB3 ASP 97 HB3 ASP 97 5.948 -1.050 -19.694 845 H ASN 98 H ASN 98 2.658 -0.300 -21.643 846 HA ASN 98 HA ASN 98 0.605 -1.352 -20.038 847 HB2 ASN 98 HB2 ASN 98 1.225 -1.657 -22.970 848 HB3 ASN 98 HB3 ASN 98 -0.171 -2.429 -22.232 849 HD21 ASN 98 HD21 ASN 98 1.266 0.573 -23.206 850 HD22 ASN 98 HD22 ASN 98 -0.156 1.544 -23.004 851 H ARG 99 H ARG 99 3.404 -2.856 -21.493 852 HA ARG 99 HA ARG 99 2.508 -5.548 -20.947 853 HB2 ARG 99 HB2 ARG 99 4.036 -4.906 -22.837 854 HB3 ARG 99 HB3 ARG 99 5.276 -4.552 -21.646 855 HG2 ARG 99 HG2 ARG 99 5.112 -6.936 -20.897 856 HG3 ARG 99 HG3 ARG 99 4.058 -7.224 -22.287 857 HD2 ARG 99 HD2 ARG 99 6.948 -6.399 -22.266 858 HD3 ARG 99 HD3 ARG 99 6.219 -7.823 -23.008 859 HE ARG 99 HE ARG 99 5.078 -5.581 -24.211 860 HH11 ARG 99 HH11 ARG 99 8.216 -7.113 -23.972 861 HH12 ARG 99 HH12 ARG 99 8.774 -6.502 -25.502 862 HH21 ARG 99 HH21 ARG 99 5.813 -4.760 -26.212 863 HH22 ARG 99 HH22 ARG 99 7.403 -5.168 -26.777 864 H ALA 100 H ALA 100 4.820 -3.244 -19.631 865 HA ALA 100 HA ALA 100 5.959 -4.955 -17.704 866 HB1 ALA 100 HB1 ALA 100 7.058 -2.941 -18.560 867 HB2 ALA 100 HB2 ALA 100 6.998 -2.970 -16.797 868 HB3 ALA 100 HB3 ALA 100 5.882 -1.946 -17.702 869 H LEU 101 H LEU 101 3.178 -2.776 -17.549 870 HA LEU 101 HA LEU 101 3.020 -2.697 -14.735 871 HB2 LEU 101 HB2 LEU 101 0.734 -1.874 -15.027 872 HB3 LEU 101 HB3 LEU 101 1.876 -1.034 -16.050 873 HG LEU 101 HG LEU 101 1.045 -2.682 -17.898 874 HD11 LEU 101 HD11 LEU 101 -1.271 -2.753 -15.974 875 HD12 LEU 101 HD12 LEU 101 -0.267 -4.125 -16.446 876 HD13 LEU 101 HD13 LEU 101 -1.294 -3.330 -17.641 877 HD21 LEU 101 HD21 LEU 101 -0.651 -0.417 -16.860 878 HD22 LEU 101 HD22 LEU 101 -0.743 -1.109 -18.480 879 HD23 LEU 101 HD23 LEU 101 0.724 -0.281 -17.956 880 H SER 102 H SER 102 2.004 -5.085 -17.031 881 HA SER 102 HA SER 102 0.276 -6.454 -15.178 882 HB2 SER 102 HB2 SER 102 -0.023 -6.508 -17.682 883 HB3 SER 102 HB3 SER 102 1.432 -7.498 -17.774 884 HG SER 102 HG SER 102 0.371 -9.173 -17.009 885 H GLU 103 H GLU 103 3.611 -6.539 -16.154 886 HA GLU 103 HA GLU 103 4.218 -9.083 -14.995 887 HB2 GLU 103 HB2 GLU 103 6.159 -6.843 -15.598 888 HB3 GLU 103 HB3 GLU 103 6.519 -8.557 -15.449 889 HG2 GLU 103 HG2 GLU 103 5.142 -8.976 -17.457 890 HG3 GLU 103 HG3 GLU 103 4.923 -7.237 -17.628 891 H ALA 104 H ALA 104 4.350 -5.728 -13.968 892 HA ALA 104 HA ALA 104 5.608 -6.326 -11.447 893 HB1 ALA 104 HB1 ALA 104 5.274 -3.966 -10.956 894 HB2 ALA 104 HB2 ALA 104 4.248 -3.803 -12.381 895 HB3 ALA 104 HB3 ALA 104 5.961 -4.178 -12.565 896 H LEU 105 H LEU 105 2.415 -6.301 -12.675 897 HA LEU 105 HA LEU 105 0.917 -5.643 -10.405 898 HB2 LEU 105 HB2 LEU 105 0.164 -5.979 -12.836 899 HB3 LEU 105 HB3 LEU 105 0.101 -7.688 -12.465 900 HG LEU 105 HG LEU 105 -1.475 -5.681 -10.870 901 HD11 LEU 105 HD11 LEU 105 -2.093 -5.362 -13.189 902 HD12 LEU 105 HD12 LEU 105 -3.386 -6.197 -12.329 903 HD13 LEU 105 HD13 LEU 105 -2.310 -7.099 -13.396 904 HD21 LEU 105 HD21 LEU 105 -1.849 -8.631 -11.394 905 HD22 LEU 105 HD22 LEU 105 -2.903 -7.614 -10.412 906 HD23 LEU 105 HD23 LEU 105 -1.241 -7.913 -9.902 907 H GLU 106 H GLU 106 2.241 -8.746 -11.496 908 HA GLU 106 HA GLU 106 0.953 -10.246 -9.445 909 HB2 GLU 106 HB2 GLU 106 2.044 -12.130 -10.303 910 HB3 GLU 106 HB3 GLU 106 1.774 -11.107 -11.700 911 HG2 GLU 106 HG2 GLU 106 3.912 -11.577 -12.155 912 HG3 GLU 106 HG3 GLU 106 4.255 -10.312 -10.974 913 H LYS 107 H LYS 107 3.770 -8.302 -9.520 914 HA LYS 107 HA LYS 107 5.258 -9.627 -7.492 915 HB2 LYS 107 HB2 LYS 107 5.364 -6.654 -7.991 916 HB3 LYS 107 HB3 LYS 107 6.637 -7.693 -7.376 917 HG2 LYS 107 HG2 LYS 107 5.640 -7.423 -10.191 918 HG3 LYS 107 HG3 LYS 107 7.263 -7.138 -9.564 919 HD2 LYS 107 HD2 LYS 107 5.872 -9.802 -9.817 920 HD3 LYS 107 HD3 LYS 107 7.185 -9.204 -10.831 921 HE2 LYS 107 HE2 LYS 107 8.691 -9.217 -8.934 922 HE3 LYS 107 HE3 LYS 107 7.377 -9.714 -7.865 923 HZ1 LYS 107 HZ1 LYS 107 7.150 -11.738 -9.235 924 HZ2 LYS 107 HZ2 LYS 107 8.654 -11.630 -8.450 925 HZ3 LYS 107 HZ3 LYS 107 8.534 -11.280 -10.105 926 H LEU 108 H LEU 108 2.983 -6.923 -7.494 927 HA LEU 108 HA LEU 108 3.026 -6.417 -4.725 928 HB2 LEU 108 HB2 LEU 108 1.038 -5.842 -6.900 929 HB3 LEU 108 HB3 LEU 108 0.653 -5.490 -5.229 930 HG LEU 108 HG LEU 108 2.643 -3.994 -5.127 931 HD11 LEU 108 HD11 LEU 108 2.769 -4.483 -8.099 932 HD12 LEU 108 HD12 LEU 108 3.965 -4.993 -6.908 933 HD13 LEU 108 HD13 LEU 108 3.697 -3.276 -7.205 934 HD21 LEU 108 HD21 LEU 108 0.432 -3.088 -5.524 935 HD22 LEU 108 HD22 LEU 108 0.603 -3.373 -7.256 936 HD23 LEU 108 HD23 LEU 108 1.635 -2.192 -6.451 937 H TRP 109 H TRP 109 1.289 -8.717 -6.689 938 HA TRP 109 HA TRP 109 -0.599 -9.572 -4.781 939 HB2 TRP 109 HB2 TRP 109 -0.598 -10.114 -7.249 940 HB3 TRP 109 HB3 TRP 109 0.686 -11.273 -6.933 941 HD1 TRP 109 HD1 TRP 109 -0.369 -12.856 -4.480 942 HE1 TRP 109 HE1 TRP 109 -2.513 -14.282 -4.616 943 HE3 TRP 109 HE3 TRP 109 -2.566 -10.625 -8.532 944 HZ2 TRP 109 HZ2 TRP 109 -4.805 -14.448 -6.244 945 HZ3 TRP 109 HZ3 TRP 109 -4.734 -11.492 -9.318 946 HH2 TRP 109 HH2 TRP 109 -5.826 -13.361 -8.198 947 H ARG 110 H ARG 110 2.483 -11.108 -5.748 948 HA ARG 110 HA ARG 110 2.304 -13.053 -3.686 949 HB2 ARG 110 HB2 ARG 110 4.425 -12.297 -5.654 950 HB3 ARG 110 HB3 ARG 110 4.813 -13.394 -4.336 951 HG2 ARG 110 HG2 ARG 110 4.250 -14.719 -6.221 952 HG3 ARG 110 HG3 ARG 110 2.902 -14.834 -5.092 953 HD2 ARG 110 HD2 ARG 110 1.962 -12.832 -6.489 954 HD3 ARG 110 HD3 ARG 110 3.078 -13.428 -7.716 955 HE ARG 110 HE ARG 110 1.173 -15.307 -6.510 956 HH11 ARG 110 HH11 ARG 110 2.314 -13.530 -9.314 957 HH12 ARG 110 HH12 ARG 110 1.206 -14.300 -10.406 958 HH21 ARG 110 HH21 ARG 110 -0.274 -16.322 -7.962 959 HH22 ARG 110 HH22 ARG 110 -0.273 -15.865 -9.641 960 H ARG 111 H ARG 111 3.860 -9.918 -3.875 961 HA ARG 111 HA ARG 111 5.499 -10.081 -1.611 962 HB2 ARG 111 HB2 ARG 111 5.675 -8.193 -3.090 963 HB3 ARG 111 HB3 ARG 111 4.003 -7.742 -2.799 964 HG2 ARG 111 HG2 ARG 111 5.400 -6.233 -1.603 965 HG3 ARG 111 HG3 ARG 111 4.601 -7.283 -0.433 966 HD2 ARG 111 HD2 ARG 111 6.870 -7.081 0.243 967 HD3 ARG 111 HD3 ARG 111 6.667 -8.698 -0.429 968 HE ARG 111 HE ARG 111 7.535 -7.331 -2.565 969 HH11 ARG 111 HH11 ARG 111 8.732 -7.487 0.726 970 HH12 ARG 111 HH12 ARG 111 10.374 -7.159 0.279 971 HH21 ARG 111 HH21 ARG 111 9.684 -6.901 -3.150 972 HH22 ARG 111 HH22 ARG 111 10.916 -6.831 -1.932 973 H HIS 112 H HIS 112 2.041 -9.573 -1.918 974 HA HIS 112 HA HIS 112 1.849 -9.231 1.001 975 HB2 HIS 112 HB2 HIS 112 -0.169 -8.588 -1.163 976 HB3 HIS 112 HB3 HIS 112 -0.437 -8.375 0.565 977 HD1 HIS 112 HD1 HIS 112 0.940 -6.727 -2.389 978 HD2 HIS 112 HD2 HIS 112 1.277 -6.323 1.735 979 HE1 HIS 112 HE1 HIS 112 1.924 -4.444 -2.012 980 HE2 HIS 112 HE2 HIS 112 2.354 -4.337 0.465 981 H CYS 113 H CYS 113 2.086 -11.694 -0.844 982 HA CYS 113 HA CYS 113 -0.321 -13.131 0.001 983 HB2 CYS 113 HB2 CYS 113 0.371 -13.313 -2.373 984 HB3 CYS 113 HB3 CYS 113 1.906 -13.998 -1.858 985 HG CYS 113 HG CYS 113 -1.176 -15.454 -1.481 986 H ARG 114 H ARG 114 3.175 -13.812 -0.171 987 HA ARG 114 HA ARG 114 3.141 -15.928 1.662 988 HB2 ARG 114 HB2 ARG 114 4.977 -15.570 0.099 989 HB3 ARG 114 HB3 ARG 114 5.395 -14.062 0.899 990 HG2 ARG 114 HG2 ARG 114 6.935 -15.773 1.565 991 HG3 ARG 114 HG3 ARG 114 5.929 -15.327 2.942 992 HD2 ARG 114 HD2 ARG 114 4.501 -17.299 2.483 993 HD3 ARG 114 HD3 ARG 114 5.609 -17.763 1.190 994 HE ARG 114 HE ARG 114 6.963 -17.379 3.676 995 HH11 ARG 114 HH11 ARG 114 5.025 -19.673 1.864 996 HH12 ARG 114 HH12 ARG 114 5.654 -21.059 2.706 997 HH21 ARG 114 HH21 ARG 114 7.768 -19.172 4.794 998 HH22 ARG 114 HH22 ARG 114 7.230 -20.773 4.372 999 H LEU 115 H LEU 115 3.835 -12.485 2.121 1000 HA LEU 115 HA LEU 115 4.608 -12.614 4.817 1001 HB2 LEU 115 HB2 LEU 115 5.026 -10.690 3.336 1002 HB3 LEU 115 HB3 LEU 115 3.310 -10.338 3.314 1003 HG LEU 115 HG LEU 115 3.408 -9.918 5.767 1004 HD11 LEU 115 HD11 LEU 115 6.383 -10.185 5.351 1005 HD12 LEU 115 HD12 LEU 115 5.362 -11.262 6.304 1006 HD13 LEU 115 HD13 LEU 115 5.597 -9.591 6.815 1007 HD21 LEU 115 HD21 LEU 115 5.269 -8.256 4.071 1008 HD22 LEU 115 HD22 LEU 115 4.514 -7.745 5.581 1009 HD23 LEU 115 HD23 LEU 115 3.516 -8.082 4.167 1010 H ALA 116 H ALA 116 1.481 -12.617 3.308 1011 HA ALA 116 HA ALA 116 0.053 -11.824 5.674 1012 HB1 ALA 116 HB1 ALA 116 -0.978 -12.997 3.098 1013 HB2 ALA 116 HB2 ALA 116 -0.807 -11.277 3.453 1014 HB3 ALA 116 HB3 ALA 116 -1.955 -12.257 4.367 1015 H ARG 117 H ARG 117 1.163 -14.808 4.292 1016 HA ARG 117 HA ARG 117 -0.656 -16.336 6.026 1017 HB2 ARG 117 HB2 ARG 117 0.937 -17.234 3.618 1018 HB3 ARG 117 HB3 ARG 117 -0.109 -18.268 4.582 1019 HG2 ARG 117 HG2 ARG 117 -1.013 -15.843 3.042 1020 HG3 ARG 117 HG3 ARG 117 -1.180 -17.517 2.511 1021 HD2 ARG 117 HD2 ARG 117 -2.305 -16.555 5.121 1022 HD3 ARG 117 HD3 ARG 117 -3.205 -16.413 3.612 1023 HE ARG 117 HE ARG 117 -2.650 -18.991 3.550 1024 HH11 ARG 117 HH11 ARG 117 -3.596 -17.083 6.348 1025 HH12 ARG 117 HH12 ARG 117 -4.517 -18.376 7.066 1026 HH21 ARG 117 HH21 ARG 117 -3.838 -20.669 4.490 1027 HH22 ARG 117 HH22 ARG 117 -4.640 -20.422 6.010 1028 H GLY 118 H GLY 118 2.339 -15.106 6.236 1029 HA2 GLY 118 HA2 GLY 118 3.182 -16.140 8.513 1030 HA3 GLY 118 HA3 GLY 118 3.580 -17.465 7.431 1031 H SER 119 H SER 119 5.711 -17.448 7.215 1032 HA SER 119 HA SER 119 6.989 -15.001 6.256 1033 HB2 SER 119 HB2 SER 119 8.113 -16.739 8.473 1034 HB3 SER 119 HB3 SER 119 8.905 -15.335 7.757 1035 HG SER 119 HG SER 119 6.852 -14.210 8.460 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -2.558 -9.741 27.468 2 H2 MET 1 H2 MET 1 -2.878 -8.245 26.744 3 H3 MET 1 H3 MET 1 -1.542 -9.161 26.239 4 HA MET 1 HA MET 1 -3.028 -10.898 25.440 5 HB2 MET 1 HB2 MET 1 -5.148 -8.888 26.228 6 HB3 MET 1 HB3 MET 1 -5.447 -10.270 25.185 7 HG2 MET 1 HG2 MET 1 -4.825 -11.782 26.993 8 HG3 MET 1 HG3 MET 1 -4.493 -10.402 28.036 9 HE1 MET 1 HE1 MET 1 -7.774 -11.972 29.543 10 HE2 MET 1 HE2 MET 1 -6.096 -11.534 29.858 11 HE3 MET 1 HE3 MET 1 -6.468 -12.859 28.755 12 H VAL 2 H VAL 2 -3.384 -10.910 23.246 13 HA VAL 2 HA VAL 2 -2.560 -8.499 21.841 14 HB VAL 2 HB VAL 2 -3.236 -11.224 20.708 15 HG11 VAL 2 HG11 VAL 2 -1.758 -8.894 19.491 16 HG12 VAL 2 HG12 VAL 2 -3.385 -9.427 19.065 17 HG13 VAL 2 HG13 VAL 2 -2.001 -10.470 18.739 18 HG21 VAL 2 HG21 VAL 2 -0.549 -10.050 21.424 19 HG22 VAL 2 HG22 VAL 2 -0.813 -11.586 20.600 20 HG23 VAL 2 HG23 VAL 2 -1.364 -11.371 22.261 21 H LYS 3 H LYS 3 -4.078 -7.041 21.448 22 HA LYS 3 HA LYS 3 -6.636 -7.913 20.342 23 HB2 LYS 3 HB2 LYS 3 -6.859 -7.651 22.831 24 HB3 LYS 3 HB3 LYS 3 -6.420 -5.961 22.645 25 HG2 LYS 3 HG2 LYS 3 -8.824 -6.217 22.871 26 HG3 LYS 3 HG3 LYS 3 -8.408 -5.584 21.277 27 HD2 LYS 3 HD2 LYS 3 -10.154 -7.309 21.161 28 HD3 LYS 3 HD3 LYS 3 -8.689 -7.789 20.301 29 HE2 LYS 3 HE2 LYS 3 -9.577 -9.648 21.585 30 HE3 LYS 3 HE3 LYS 3 -8.011 -9.148 22.213 31 HZ1 LYS 3 HZ1 LYS 3 -10.607 -8.299 23.382 32 HZ2 LYS 3 HZ2 LYS 3 -9.062 -8.055 24.037 33 HZ3 LYS 3 HZ3 LYS 3 -9.703 -9.624 23.939 34 H LEU 4 H LEU 4 -7.671 -6.340 19.064 35 HA LEU 4 HA LEU 4 -5.920 -4.311 17.984 36 HB2 LEU 4 HB2 LEU 4 -8.752 -5.103 17.280 37 HB3 LEU 4 HB3 LEU 4 -7.858 -3.846 16.452 38 HG LEU 4 HG LEU 4 -7.705 -5.729 15.062 39 HD11 LEU 4 HD11 LEU 4 -5.586 -4.626 15.276 40 HD12 LEU 4 HD12 LEU 4 -5.329 -6.363 15.116 41 HD13 LEU 4 HD13 LEU 4 -5.182 -5.591 16.695 42 HD21 LEU 4 HD21 LEU 4 -6.994 -7.950 15.834 43 HD22 LEU 4 HD22 LEU 4 -8.495 -7.424 16.597 44 HD23 LEU 4 HD23 LEU 4 -6.979 -7.354 17.495 45 H ALA 5 H ALA 5 -6.534 -3.879 20.653 46 HA ALA 5 HA ALA 5 -7.563 -1.218 20.605 47 HB1 ALA 5 HB1 ALA 5 -9.418 -1.561 22.169 48 HB2 ALA 5 HB2 ALA 5 -9.157 -3.304 22.101 49 HB3 ALA 5 HB3 ALA 5 -9.689 -2.437 20.662 50 H PHE 6 H PHE 6 -6.161 -0.220 21.882 51 HA PHE 6 HA PHE 6 -5.189 -1.642 24.274 52 HB2 PHE 6 HB2 PHE 6 -3.048 -0.259 23.912 53 HB3 PHE 6 HB3 PHE 6 -3.321 -1.640 22.858 54 HD1 PHE 6 HD2 PHE 6 -3.369 2.037 23.056 55 HD2 PHE 6 HD1 PHE 6 -3.618 -1.371 20.519 56 HE1 PHE 6 HE2 PHE 6 -3.101 3.486 21.087 57 HE2 PHE 6 HE1 PHE 6 -3.351 0.073 18.546 58 HZ PHE 6 HZ PHE 6 -3.091 2.505 18.829 59 HA PRO 7 HA PRO 7 -6.698 1.672 26.684 60 HB2 PRO 7 HB2 PRO 7 -4.373 1.375 28.466 61 HB3 PRO 7 HB3 PRO 7 -6.086 1.105 28.802 62 HG2 PRO 7 HG2 PRO 7 -4.357 -0.931 28.601 63 HG3 PRO 7 HG3 PRO 7 -6.028 -1.072 28.024 64 HD2 PRO 7 HD2 PRO 7 -3.515 -0.606 26.460 65 HD3 PRO 7 HD3 PRO 7 -4.898 -1.656 26.085 66 H ARG 8 H ARG 8 -3.772 1.939 25.066 67 HA ARG 8 HA ARG 8 -2.813 4.373 26.222 68 HB2 ARG 8 HB2 ARG 8 -2.168 3.139 23.538 69 HB3 ARG 8 HB3 ARG 8 -1.271 4.436 24.313 70 HG2 ARG 8 HG2 ARG 8 -1.571 1.627 25.351 71 HG3 ARG 8 HG3 ARG 8 -0.138 2.308 24.577 72 HD2 ARG 8 HD2 ARG 8 0.263 3.772 26.374 73 HD3 ARG 8 HD3 ARG 8 -1.344 3.511 27.051 74 HE ARG 8 HE ARG 8 0.137 1.080 26.960 75 HH11 ARG 8 HH11 ARG 8 -0.036 4.102 28.733 76 HH12 ARG 8 HH12 ARG 8 0.431 3.379 30.243 77 HH21 ARG 8 HH21 ARG 8 0.776 0.151 28.942 78 HH22 ARG 8 HH22 ARG 8 0.902 1.147 30.362 79 H GLU 9 H GLU 9 -5.326 3.611 24.083 80 HA GLU 9 HA GLU 9 -5.422 5.953 22.502 81 HB2 GLU 9 HB2 GLU 9 -7.763 5.326 22.075 82 HB3 GLU 9 HB3 GLU 9 -6.679 3.953 21.909 83 HG2 GLU 9 HG2 GLU 9 -7.342 3.120 24.077 84 HG3 GLU 9 HG3 GLU 9 -8.359 4.535 24.338 85 H LEU 10 H LEU 10 -6.144 5.368 25.802 86 HA LEU 10 HA LEU 10 -8.018 7.453 26.230 87 HB2 LEU 10 HB2 LEU 10 -7.615 5.567 27.800 88 HB3 LEU 10 HB3 LEU 10 -6.050 6.255 28.185 89 HG LEU 10 HG LEU 10 -7.181 8.270 29.080 90 HD11 LEU 10 HD11 LEU 10 -9.593 8.198 29.498 91 HD12 LEU 10 HD12 LEU 10 -9.702 6.696 28.581 92 HD13 LEU 10 HD13 LEU 10 -9.224 8.188 27.773 93 HD21 LEU 10 HD21 LEU 10 -6.532 6.476 30.580 94 HD22 LEU 10 HD22 LEU 10 -8.065 5.653 30.282 95 HD23 LEU 10 HD23 LEU 10 -8.046 7.211 31.113 96 H ARG 11 H ARG 11 -4.670 7.406 25.622 97 HA ARG 11 HA ARG 11 -4.343 10.169 26.567 98 HB2 ARG 11 HB2 ARG 11 -2.276 8.191 25.567 99 HB3 ARG 11 HB3 ARG 11 -1.933 9.817 26.138 100 HG2 ARG 11 HG2 ARG 11 -3.141 7.624 27.808 101 HG3 ARG 11 HG3 ARG 11 -1.436 8.072 27.799 102 HD2 ARG 11 HD2 ARG 11 -2.394 9.144 29.672 103 HD3 ARG 11 HD3 ARG 11 -2.158 10.392 28.452 104 HE ARG 11 HE ARG 11 -4.745 9.495 28.117 105 HH11 ARG 11 HH11 ARG 11 -2.857 11.040 30.609 106 HH12 ARG 11 HH12 ARG 11 -4.226 11.771 31.392 107 HH21 ARG 11 HH21 ARG 11 -6.566 10.462 29.113 108 HH22 ARG 11 HH22 ARG 11 -6.350 11.414 30.550 109 H LEU 12 H LEU 12 -3.371 8.197 23.777 110 HA LEU 12 HA LEU 12 -4.149 10.429 22.019 111 HB2 LEU 12 HB2 LEU 12 -1.895 8.455 21.633 112 HB3 LEU 12 HB3 LEU 12 -2.404 9.640 20.447 113 HG LEU 12 HG LEU 12 -1.239 10.274 23.159 114 HD11 LEU 12 HD11 LEU 12 0.389 9.304 21.618 115 HD12 LEU 12 HD12 LEU 12 0.713 11.014 21.912 116 HD13 LEU 12 HD13 LEU 12 -0.048 10.505 20.401 117 HD21 LEU 12 HD21 LEU 12 -2.001 12.078 20.864 118 HD22 LEU 12 HD22 LEU 12 -1.150 12.581 22.324 119 HD23 LEU 12 HD23 LEU 12 -2.806 11.987 22.430 120 H LEU 13 H LEU 13 -6.063 9.794 21.227 121 HA LEU 13 HA LEU 13 -6.766 7.084 20.795 122 HB2 LEU 13 HB2 LEU 13 -8.695 8.137 19.474 123 HB3 LEU 13 HB3 LEU 13 -8.596 8.456 21.192 124 HG LEU 13 HG LEU 13 -7.363 10.640 20.434 125 HD11 LEU 13 HD11 LEU 13 -8.227 11.516 18.310 126 HD12 LEU 13 HD12 LEU 13 -8.943 9.942 17.967 127 HD13 LEU 13 HD13 LEU 13 -7.192 10.108 18.080 128 HD21 LEU 13 HD21 LEU 13 -9.471 10.581 21.632 129 HD22 LEU 13 HD22 LEU 13 -10.335 10.242 20.133 130 HD23 LEU 13 HD23 LEU 13 -9.525 11.793 20.350 131 H THR 14 H THR 14 -6.591 5.814 19.046 132 HA THR 14 HA THR 14 -5.370 7.024 16.661 133 HB THR 14 HB THR 14 -4.278 4.789 16.297 134 HG1 THR 14 HG1 THR 14 -5.618 3.584 17.727 135 HG21 THR 14 HG21 THR 14 -2.472 5.175 17.894 136 HG22 THR 14 HG22 THR 14 -3.521 6.230 18.840 137 HG23 THR 14 HG23 THR 14 -3.036 6.701 17.212 138 HA PRO 15 HA PRO 15 -9.027 4.809 14.992 139 HB2 PRO 15 HB2 PRO 15 -10.281 6.903 13.862 140 HB3 PRO 15 HB3 PRO 15 -10.517 6.484 15.561 141 HG2 PRO 15 HG2 PRO 15 -8.912 8.674 14.355 142 HG3 PRO 15 HG3 PRO 15 -9.806 8.643 15.884 143 HD2 PRO 15 HD2 PRO 15 -7.039 8.290 15.580 144 HD3 PRO 15 HD3 PRO 15 -7.989 7.908 17.026 145 H SER 16 H SER 16 -6.906 7.307 13.796 146 HA SER 16 HA SER 16 -7.125 6.370 11.051 147 HB2 SER 16 HB2 SER 16 -5.506 8.650 12.224 148 HB3 SER 16 HB3 SER 16 -5.741 8.319 10.508 149 HG SER 16 HG SER 16 -7.225 9.839 11.971 150 H GLN 17 H GLN 17 -5.830 4.827 10.340 151 HA GLN 17 HA GLN 17 -3.582 3.921 11.886 152 HB2 GLN 17 HB2 GLN 17 -4.323 3.081 9.077 153 HB3 GLN 17 HB3 GLN 17 -3.359 2.187 10.242 154 HG2 GLN 17 HG2 GLN 17 -6.308 2.762 10.417 155 HG3 GLN 17 HG3 GLN 17 -5.552 1.212 10.054 156 HE21 GLN 17 HE21 GLN 17 -6.329 3.520 12.526 157 HE22 GLN 17 HE22 GLN 17 -5.962 2.504 13.873 158 H PHE 18 H PHE 18 -4.169 5.943 9.143 159 HA PHE 18 HA PHE 18 -1.621 6.061 7.985 160 HB2 PHE 18 HB2 PHE 18 -3.632 6.960 6.914 161 HB3 PHE 18 HB3 PHE 18 -3.768 8.193 8.159 162 HD1 PHE 18 HD2 PHE 18 -1.333 6.954 5.617 163 HD2 PHE 18 HD1 PHE 18 -2.949 10.284 7.716 164 HE1 PHE 18 HE2 PHE 18 0.038 8.475 4.253 165 HE2 PHE 18 HE1 PHE 18 -1.585 11.812 6.356 166 HZ PHE 18 HZ PHE 18 -0.086 10.908 4.621 167 H THR 19 H THR 19 -2.848 7.469 10.910 168 HA THR 19 HA THR 19 -0.772 9.425 11.188 169 HB THR 19 HB THR 19 -2.658 8.310 13.279 170 HG1 THR 19 HG1 THR 19 -2.847 10.752 11.816 171 HG21 THR 19 HG21 THR 19 -0.685 9.431 14.239 172 HG22 THR 19 HG22 THR 19 -2.163 10.347 14.525 173 HG23 THR 19 HG23 THR 19 -1.038 10.862 13.269 174 H PHE 20 H PHE 20 -1.349 6.146 12.389 175 HA PHE 20 HA PHE 20 0.986 6.249 14.094 176 HB2 PHE 20 HB2 PHE 20 -1.189 4.996 14.623 177 HB3 PHE 20 HB3 PHE 20 -0.635 3.783 13.474 178 HD1 PHE 20 HD2 PHE 20 1.314 2.390 13.979 179 HD2 PHE 20 HD1 PHE 20 -0.137 5.267 16.760 180 HE1 PHE 20 HE2 PHE 20 2.664 1.349 15.756 181 HE2 PHE 20 HE1 PHE 20 1.209 4.233 18.538 182 HZ PHE 20 HZ PHE 20 2.611 2.271 18.038 183 H VAL 21 H VAL 21 0.146 5.068 10.915 184 HA VAL 21 HA VAL 21 2.344 3.310 10.603 185 HB VAL 21 HB VAL 21 0.283 3.388 9.142 186 HG11 VAL 21 HG11 VAL 21 0.199 5.758 8.665 187 HG12 VAL 21 HG12 VAL 21 0.348 4.841 7.166 188 HG13 VAL 21 HG13 VAL 21 1.753 5.669 7.836 189 HG21 VAL 21 HG21 VAL 21 1.490 2.697 7.116 190 HG22 VAL 21 HG22 VAL 21 2.180 1.997 8.581 191 HG23 VAL 21 HG23 VAL 21 2.975 3.363 7.794 192 H PHE 22 H PHE 22 2.136 6.697 10.722 193 HA PHE 22 HA PHE 22 4.547 7.219 9.227 194 HB2 PHE 22 HB2 PHE 22 2.685 8.881 9.447 195 HB3 PHE 22 HB3 PHE 22 3.076 9.037 11.155 196 HD1 PHE 22 HD2 PHE 22 4.480 9.480 7.751 197 HD2 PHE 22 HD1 PHE 22 4.714 10.536 11.868 198 HE1 PHE 22 HE2 PHE 22 6.131 11.223 7.205 199 HE2 PHE 22 HE1 PHE 22 6.364 12.281 11.329 200 HZ PHE 22 HZ PHE 22 7.074 12.626 8.996 201 H GLN 23 H GLN 23 3.691 6.320 12.427 202 HA GLN 23 HA GLN 23 6.075 7.227 13.730 203 HB2 GLN 23 HB2 GLN 23 3.964 5.207 14.512 204 HB3 GLN 23 HB3 GLN 23 5.325 5.628 15.541 205 HG2 GLN 23 HG2 GLN 23 3.293 7.606 14.537 206 HG3 GLN 23 HG3 GLN 23 3.214 6.798 16.104 207 HE21 GLN 23 HE21 GLN 23 4.877 9.158 14.179 208 HE22 GLN 23 HE22 GLN 23 5.756 9.892 15.473 209 H GLN 24 H GLN 24 4.898 4.033 12.699 210 HA GLN 24 HA GLN 24 7.625 3.270 12.051 211 HB2 GLN 24 HB2 GLN 24 7.278 2.576 14.425 212 HB3 GLN 24 HB3 GLN 24 5.929 1.579 13.899 213 HG2 GLN 24 HG2 GLN 24 7.419 0.248 12.532 214 HG3 GLN 24 HG3 GLN 24 8.779 1.264 13.002 215 HE21 GLN 24 HE21 GLN 24 9.915 -0.416 13.904 216 HE22 GLN 24 HE22 GLN 24 9.436 -1.194 15.381 217 HA PRO 25 HA PRO 25 4.680 1.760 8.955 218 HB2 PRO 25 HB2 PRO 25 6.100 2.420 6.795 219 HB3 PRO 25 HB3 PRO 25 5.259 3.647 7.750 220 HG2 PRO 25 HG2 PRO 25 8.158 2.945 7.697 221 HG3 PRO 25 HG3 PRO 25 7.391 4.534 7.847 222 HD2 PRO 25 HD2 PRO 25 8.407 3.016 9.955 223 HD3 PRO 25 HD3 PRO 25 7.268 4.367 10.109 224 H GLN 26 H GLN 26 4.677 0.026 7.477 225 HA GLN 26 HA GLN 26 6.994 -1.760 7.622 226 HB2 GLN 26 HB2 GLN 26 4.233 -2.289 6.497 227 HB3 GLN 26 HB3 GLN 26 5.509 -3.478 6.723 228 HG2 GLN 26 HG2 GLN 26 5.388 -3.062 9.165 229 HG3 GLN 26 HG3 GLN 26 4.016 -1.995 8.874 230 HE21 GLN 26 HE21 GLN 26 2.053 -2.884 8.175 231 HE22 GLN 26 HE22 GLN 26 1.707 -4.570 8.373 232 H ARG 27 H ARG 27 8.089 -2.382 5.738 233 HA ARG 27 HA ARG 27 7.608 -0.547 3.497 234 HB2 ARG 27 HB2 ARG 27 9.878 -0.808 4.889 235 HB3 ARG 27 HB3 ARG 27 10.152 -2.083 3.713 236 HG2 ARG 27 HG2 ARG 27 9.578 0.802 3.066 237 HG3 ARG 27 HG3 ARG 27 11.165 0.038 3.040 238 HD2 ARG 27 HD2 ARG 27 8.812 -0.678 1.300 239 HD3 ARG 27 HD3 ARG 27 10.245 0.216 0.797 240 HE ARG 27 HE ARG 27 11.176 -2.168 1.818 241 HH11 ARG 27 HH11 ARG 27 9.046 -1.183 -0.769 242 HH12 ARG 27 HH12 ARG 27 9.382 -2.566 -1.762 243 HH21 ARG 27 HH21 ARG 27 11.632 -4.001 0.526 244 HH22 ARG 27 HH22 ARG 27 10.857 -4.173 -1.022 245 H ALA 28 H ALA 28 6.276 -1.562 2.120 246 HA ALA 28 HA ALA 28 7.235 -4.124 1.019 247 HB1 ALA 28 HB1 ALA 28 5.214 -4.493 2.362 248 HB2 ALA 28 HB2 ALA 28 4.921 -4.809 0.653 249 HB3 ALA 28 HB3 ALA 28 4.348 -3.309 1.384 250 H GLY 29 H GLY 29 6.306 -4.490 -1.227 251 HA2 GLY 29 HA2 GLY 29 5.633 -3.721 -3.324 252 HA3 GLY 29 HA3 GLY 29 5.613 -2.081 -2.694 253 H THR 30 H THR 30 6.811 -1.126 -4.269 254 HA THR 30 HA THR 30 9.592 -2.068 -4.578 255 HB THR 30 HB THR 30 9.496 -1.187 -6.916 256 HG1 THR 30 HG1 THR 30 6.798 -1.261 -7.154 257 HG21 THR 30 HG21 THR 30 8.214 -3.032 -7.868 258 HG22 THR 30 HG22 THR 30 7.422 -3.299 -6.317 259 HG23 THR 30 HG23 THR 30 9.153 -3.583 -6.483 260 HA PRO 31 HA PRO 31 10.993 2.143 -3.812 261 HB2 PRO 31 HB2 PRO 31 12.496 2.674 -6.078 262 HB3 PRO 31 HB3 PRO 31 13.086 1.824 -4.647 263 HG2 PRO 31 HG2 PRO 31 12.089 0.717 -7.237 264 HG3 PRO 31 HG3 PRO 31 13.449 0.177 -6.233 265 HD2 PRO 31 HD2 PRO 31 11.123 -1.138 -6.224 266 HD3 PRO 31 HD3 PRO 31 12.068 -0.935 -4.738 267 H GLN 32 H GLN 32 9.232 1.307 -6.640 268 HA GLN 32 HA GLN 32 8.669 4.080 -7.330 269 HB2 GLN 32 HB2 GLN 32 8.229 1.446 -8.635 270 HB3 GLN 32 HB3 GLN 32 7.092 2.733 -9.013 271 HG2 GLN 32 HG2 GLN 32 9.021 2.494 -10.596 272 HG3 GLN 32 HG3 GLN 32 8.784 4.101 -9.920 273 HE21 GLN 32 HE21 GLN 32 10.308 4.963 -8.566 274 HE22 GLN 32 HE22 GLN 32 11.864 4.245 -8.305 275 H ILE 33 H ILE 33 6.796 1.152 -6.483 276 HA ILE 33 HA ILE 33 4.776 2.967 -5.352 277 HB ILE 33 HB ILE 33 3.736 1.717 -7.098 278 HG12 ILE 33 HG12 ILE 33 3.009 0.462 -4.443 279 HG13 ILE 33 HG13 ILE 33 2.424 2.012 -5.038 280 HG21 ILE 33 HG21 ILE 33 5.340 -0.096 -7.318 281 HG22 ILE 33 HG22 ILE 33 3.699 -0.727 -7.190 282 HG23 ILE 33 HG23 ILE 33 4.781 -0.795 -5.799 283 HD11 ILE 33 HD11 ILE 33 1.301 0.880 -6.885 284 HD12 ILE 33 HD12 ILE 33 0.760 0.266 -5.323 285 HD13 ILE 33 HD13 ILE 33 1.894 -0.672 -6.294 286 H THR 34 H THR 34 5.317 3.198 -3.295 287 HA THR 34 HA THR 34 6.323 0.913 -1.788 288 HB THR 34 HB THR 34 6.105 3.792 -0.897 289 HG1 THR 34 HG1 THR 34 7.889 2.503 -2.588 290 HG21 THR 34 HG21 THR 34 7.869 3.122 0.701 291 HG22 THR 34 HG22 THR 34 7.735 1.460 0.125 292 HG23 THR 34 HG23 THR 34 6.370 2.223 0.943 293 H ILE 35 H ILE 35 5.014 -0.265 -0.606 294 HA ILE 35 HA ILE 35 2.407 0.820 0.213 295 HB ILE 35 HB ILE 35 3.318 -2.066 0.226 296 HG12 ILE 35 HG12 ILE 35 1.588 -0.682 -1.835 297 HG13 ILE 35 HG13 ILE 35 3.293 -1.054 -2.064 298 HG21 ILE 35 HG21 ILE 35 0.577 -0.828 0.458 299 HG22 ILE 35 HG22 ILE 35 1.488 -1.611 1.749 300 HG23 ILE 35 HG23 ILE 35 0.914 -2.557 0.377 301 HD11 ILE 35 HD11 ILE 35 1.882 -2.694 -3.156 302 HD12 ILE 35 HD12 ILE 35 1.092 -3.056 -1.619 303 HD13 ILE 35 HD13 ILE 35 2.800 -3.433 -1.842 304 H LEU 36 H LEU 36 1.959 1.123 2.340 305 HA LEU 36 HA LEU 36 4.052 0.360 4.251 306 HB2 LEU 36 HB2 LEU 36 1.853 2.403 4.563 307 HB3 LEU 36 HB3 LEU 36 3.130 2.084 5.720 308 HG LEU 36 HG LEU 36 3.476 3.246 2.954 309 HD11 LEU 36 HD11 LEU 36 4.187 5.252 4.167 310 HD12 LEU 36 HD12 LEU 36 3.792 4.461 5.694 311 HD13 LEU 36 HD13 LEU 36 2.515 4.820 4.530 312 HD21 LEU 36 HD21 LEU 36 5.539 2.674 5.079 313 HD22 LEU 36 HD22 LEU 36 5.826 3.529 3.561 314 HD23 LEU 36 HD23 LEU 36 5.369 1.826 3.544 315 H GLY 37 H GLY 37 0.865 1.191 5.372 316 HA2 GLY 37 HA2 GLY 37 -0.922 -0.187 6.004 317 HA3 GLY 37 HA3 GLY 37 0.068 -1.593 5.644 318 H ARG 38 H ARG 38 -1.396 0.038 8.069 319 HA ARG 38 HA ARG 38 0.267 -1.368 10.038 320 HB2 ARG 38 HB2 ARG 38 -0.197 1.518 9.901 321 HB3 ARG 38 HB3 ARG 38 -0.609 0.817 11.461 322 HG2 ARG 38 HG2 ARG 38 2.042 0.511 10.067 323 HG3 ARG 38 HG3 ARG 38 1.695 1.641 11.380 324 HD2 ARG 38 HD2 ARG 38 1.150 -0.224 12.853 325 HD3 ARG 38 HD3 ARG 38 1.466 -1.362 11.544 326 HE ARG 38 HE ARG 38 3.762 0.179 11.871 327 HH11 ARG 38 HH11 ARG 38 1.878 -2.098 13.752 328 HH12 ARG 38 HH12 ARG 38 3.252 -2.712 14.614 329 HH21 ARG 38 HH21 ARG 38 5.568 -0.630 13.007 330 HH22 ARG 38 HH22 ARG 38 5.353 -1.873 14.206 331 H LEU 39 H LEU 39 -1.186 -2.965 10.415 332 HA LEU 39 HA LEU 39 -3.957 -2.359 10.936 333 HB2 LEU 39 HB2 LEU 39 -3.356 -4.445 9.804 334 HB3 LEU 39 HB3 LEU 39 -2.426 -4.950 11.202 335 HG LEU 39 HG LEU 39 -4.494 -5.027 12.542 336 HD11 LEU 39 HD11 LEU 39 -5.757 -3.333 11.292 337 HD12 LEU 39 HD12 LEU 39 -6.661 -4.835 11.478 338 HD13 LEU 39 HD13 LEU 39 -5.896 -4.452 9.936 339 HD21 LEU 39 HD21 LEU 39 -5.462 -7.009 11.473 340 HD22 LEU 39 HD22 LEU 39 -3.699 -7.050 11.455 341 HD23 LEU 39 HD23 LEU 39 -4.587 -6.630 9.989 342 H ASN 40 H ASN 40 -3.820 -0.970 12.713 343 HA ASN 40 HA ASN 40 -2.997 -2.247 15.231 344 HB2 ASN 40 HB2 ASN 40 -3.349 0.634 14.443 345 HB3 ASN 40 HB3 ASN 40 -3.348 0.153 16.136 346 HD21 ASN 40 HD21 ASN 40 -1.503 1.200 16.673 347 HD22 ASN 40 HD22 ASN 40 0.060 0.737 16.102 348 H SER 41 H SER 41 -5.618 -0.311 13.815 349 HA SER 41 HA SER 41 -7.610 -1.892 15.110 350 HB2 SER 41 HB2 SER 41 -6.804 -0.427 16.994 351 HB3 SER 41 HB3 SER 41 -7.349 0.969 16.070 352 HG SER 41 HG SER 41 -8.824 -1.008 17.382 353 H LEU 42 H LEU 42 -8.431 -2.076 13.028 354 HA LEU 42 HA LEU 42 -10.340 -0.129 12.300 355 HB2 LEU 42 HB2 LEU 42 -8.329 1.004 11.401 356 HB3 LEU 42 HB3 LEU 42 -7.994 -0.404 10.412 357 HG LEU 42 HG LEU 42 -10.094 -0.043 9.180 358 HD11 LEU 42 HD11 LEU 42 -11.373 2.002 9.501 359 HD12 LEU 42 HD12 LEU 42 -10.329 2.461 10.848 360 HD13 LEU 42 HD13 LEU 42 -11.361 1.035 10.977 361 HD21 LEU 42 HD21 LEU 42 -9.409 1.984 7.994 362 HD22 LEU 42 HD22 LEU 42 -8.030 0.941 8.340 363 HD23 LEU 42 HD23 LEU 42 -8.310 2.385 9.314 364 H GLY 43 H GLY 43 -8.316 -2.411 10.449 365 HA2 GLY 43 HA2 GLY 43 -8.828 -4.437 9.491 366 HA3 GLY 43 HA3 GLY 43 -10.276 -4.475 10.486 367 H HIS 44 H HIS 44 -9.787 -1.743 8.431 368 HA HIS 44 HA HIS 44 -11.622 -2.881 6.442 369 HB2 HIS 44 HB2 HIS 44 -12.656 -1.285 8.258 370 HB3 HIS 44 HB3 HIS 44 -11.912 -0.018 7.292 371 HD1 HIS 44 HD1 HIS 44 -13.329 0.875 5.462 372 HD2 HIS 44 HD2 HIS 44 -14.488 -2.950 6.608 373 HE1 HIS 44 HE1 HIS 44 -15.431 0.383 4.166 374 HE2 HIS 44 HE2 HIS 44 -16.241 -1.828 5.073 375 HA PRO 45 HA PRO 45 -8.169 -1.665 3.927 376 HB2 PRO 45 HB2 PRO 45 -10.156 -2.053 1.750 377 HB3 PRO 45 HB3 PRO 45 -8.552 -2.765 1.958 378 HG2 PRO 45 HG2 PRO 45 -10.739 -4.216 2.400 379 HG3 PRO 45 HG3 PRO 45 -9.313 -4.377 3.444 380 HD2 PRO 45 HD2 PRO 45 -11.883 -2.933 3.950 381 HD3 PRO 45 HD3 PRO 45 -10.900 -3.906 5.063 382 H ARG 46 H ARG 46 -7.432 0.135 2.990 383 HA ARG 46 HA ARG 46 -9.280 2.091 1.832 384 HB2 ARG 46 HB2 ARG 46 -7.260 2.665 4.005 385 HB3 ARG 46 HB3 ARG 46 -7.855 3.918 2.929 386 HG2 ARG 46 HG2 ARG 46 -9.633 2.226 4.662 387 HG3 ARG 46 HG3 ARG 46 -8.984 3.792 5.146 388 HD2 ARG 46 HD2 ARG 46 -10.585 3.406 2.631 389 HD3 ARG 46 HD3 ARG 46 -11.332 3.778 4.183 390 HE ARG 46 HE ARG 46 -9.234 5.582 3.243 391 HH11 ARG 46 HH11 ARG 46 -12.656 4.932 3.641 392 HH12 ARG 46 HH12 ARG 46 -13.116 6.609 3.534 393 HH21 ARG 46 HH21 ARG 46 -9.850 7.793 3.078 394 HH22 ARG 46 HH22 ARG 46 -11.529 8.221 3.188 395 H ILE 47 H ILE 47 -8.561 2.421 -0.195 396 HA ILE 47 HA ILE 47 -5.790 1.938 -0.834 397 HB ILE 47 HB ILE 47 -7.415 1.230 -2.476 398 HG12 ILE 47 HG12 ILE 47 -5.779 3.580 -3.448 399 HG13 ILE 47 HG13 ILE 47 -5.233 1.911 -3.302 400 HG21 ILE 47 HG21 ILE 47 -8.235 4.121 -2.702 401 HG22 ILE 47 HG22 ILE 47 -9.209 2.798 -2.058 402 HG23 ILE 47 HG23 ILE 47 -8.769 2.821 -3.768 403 HD11 ILE 47 HD11 ILE 47 -7.380 2.902 -5.160 404 HD12 ILE 47 HD12 ILE 47 -6.817 1.236 -5.021 405 HD13 ILE 47 HD13 ILE 47 -5.725 2.490 -5.608 406 H GLY 48 H GLY 48 -4.708 3.461 0.368 407 HA2 GLY 48 HA2 GLY 48 -5.370 6.273 0.061 408 HA3 GLY 48 HA3 GLY 48 -4.130 5.597 1.108 409 H LEU 49 H LEU 49 -4.872 5.938 -2.354 410 HA LEU 49 HA LEU 49 -2.186 5.767 -3.215 411 HB2 LEU 49 HB2 LEU 49 -4.105 5.407 -4.709 412 HB3 LEU 49 HB3 LEU 49 -4.538 7.100 -4.561 413 HG LEU 49 HG LEU 49 -2.359 7.701 -5.617 414 HD11 LEU 49 HD11 LEU 49 -1.130 5.939 -6.809 415 HD12 LEU 49 HD12 LEU 49 -2.155 4.725 -6.044 416 HD13 LEU 49 HD13 LEU 49 -1.087 5.725 -5.061 417 HD21 LEU 49 HD21 LEU 49 -4.419 7.587 -6.926 418 HD22 LEU 49 HD22 LEU 49 -4.126 5.876 -7.240 419 HD23 LEU 49 HD23 LEU 49 -3.018 7.090 -7.879 420 H THR 50 H THR 50 -0.764 7.090 -2.276 421 HA THR 50 HA THR 50 -1.408 9.948 -2.103 422 HB THR 50 HB THR 50 0.807 8.470 -0.670 423 HG1 THR 50 HG1 THR 50 -1.382 7.758 -0.113 424 HG21 THR 50 HG21 THR 50 0.761 10.424 0.821 425 HG22 THR 50 HG22 THR 50 -0.478 11.163 -0.192 426 HG23 THR 50 HG23 THR 50 1.139 10.884 -0.837 427 H VAL 51 H VAL 51 -0.835 10.707 -4.073 428 HA VAL 51 HA VAL 51 1.812 10.055 -5.118 429 HB VAL 51 HB VAL 51 1.078 11.199 -7.182 430 HG11 VAL 51 HG11 VAL 51 0.752 8.818 -7.009 431 HG12 VAL 51 HG12 VAL 51 -0.622 9.532 -7.853 432 HG13 VAL 51 HG13 VAL 51 -0.776 9.053 -6.164 433 HG21 VAL 51 HG21 VAL 51 -0.470 12.810 -6.236 434 HG22 VAL 51 HG22 VAL 51 -1.550 11.510 -5.734 435 HG23 VAL 51 HG23 VAL 51 -1.286 11.824 -7.450 436 H ALA 52 H ALA 52 3.428 11.522 -5.298 437 HA ALA 52 HA ALA 52 3.119 14.031 -3.899 438 HB1 ALA 52 HB1 ALA 52 5.154 12.684 -3.608 439 HB2 ALA 52 HB2 ALA 52 5.506 14.300 -4.215 440 HB3 ALA 52 HB3 ALA 52 5.541 12.921 -5.313 441 H LYS 53 H LYS 53 3.699 16.086 -4.849 442 HA LYS 53 HA LYS 53 2.429 16.347 -7.436 443 HB2 LYS 53 HB2 LYS 53 3.446 18.377 -5.440 444 HB3 LYS 53 HB3 LYS 53 2.741 18.824 -6.985 445 HG2 LYS 53 HG2 LYS 53 1.048 19.052 -5.345 446 HG3 LYS 53 HG3 LYS 53 0.660 17.613 -6.286 447 HD2 LYS 53 HD2 LYS 53 1.689 16.228 -4.507 448 HD3 LYS 53 HD3 LYS 53 1.950 17.690 -3.557 449 HE2 LYS 53 HE2 LYS 53 -0.738 16.704 -4.499 450 HE3 LYS 53 HE3 LYS 53 -0.069 16.409 -2.897 451 HZ1 LYS 53 HZ1 LYS 53 0.021 18.830 -2.573 452 HZ2 LYS 53 HZ2 LYS 53 -1.555 18.262 -2.813 453 HZ3 LYS 53 HZ3 LYS 53 -0.744 19.051 -4.072 454 H LYS 54 H LYS 54 5.362 15.470 -6.651 455 HA LYS 54 HA LYS 54 6.684 16.984 -8.797 456 HB2 LYS 54 HB2 LYS 54 8.804 16.417 -7.692 457 HB3 LYS 54 HB3 LYS 54 7.734 17.296 -6.606 458 HG2 LYS 54 HG2 LYS 54 7.059 15.119 -5.606 459 HG3 LYS 54 HG3 LYS 54 8.280 14.334 -6.609 460 HD2 LYS 54 HD2 LYS 54 8.801 16.478 -4.552 461 HD3 LYS 54 HD3 LYS 54 9.105 14.753 -4.343 462 HE2 LYS 54 HE2 LYS 54 10.716 14.809 -6.175 463 HE3 LYS 54 HE3 LYS 54 10.400 16.530 -6.407 464 HZ1 LYS 54 HZ1 LYS 54 11.568 15.266 -3.985 465 HZ2 LYS 54 HZ2 LYS 54 11.189 16.914 -4.131 466 HZ3 LYS 54 HZ3 LYS 54 12.390 16.232 -5.116 467 H ASN 55 H ASN 55 5.245 14.083 -8.128 468 HA ASN 55 HA ASN 55 7.202 12.505 -9.642 469 HB2 ASN 55 HB2 ASN 55 4.874 11.589 -7.934 470 HB3 ASN 55 HB3 ASN 55 5.951 10.518 -8.822 471 HD21 ASN 55 HD21 ASN 55 5.528 10.430 -6.041 472 HD22 ASN 55 HD22 ASN 55 7.018 10.834 -5.262 473 H VAL 56 H VAL 56 3.670 12.953 -9.448 474 HA VAL 56 HA VAL 56 3.320 11.812 -12.078 475 HB VAL 56 HB VAL 56 1.276 13.206 -10.334 476 HG11 VAL 56 HG11 VAL 56 -0.363 11.989 -11.700 477 HG12 VAL 56 HG12 VAL 56 0.947 11.366 -12.702 478 HG13 VAL 56 HG13 VAL 56 0.609 13.097 -12.670 479 HG21 VAL 56 HG21 VAL 56 2.207 11.287 -9.172 480 HG22 VAL 56 HG22 VAL 56 1.932 10.269 -10.586 481 HG23 VAL 56 HG23 VAL 56 0.562 10.936 -9.699 482 H ARG 57 H ARG 57 4.363 13.127 -13.519 483 HA ARG 57 HA ARG 57 3.864 15.986 -13.454 484 HB2 ARG 57 HB2 ARG 57 5.573 16.076 -15.255 485 HB3 ARG 57 HB3 ARG 57 6.143 15.329 -13.772 486 HG2 ARG 57 HG2 ARG 57 5.725 13.103 -14.821 487 HG3 ARG 57 HG3 ARG 57 5.369 13.946 -16.330 488 HD2 ARG 57 HD2 ARG 57 7.967 14.029 -14.797 489 HD3 ARG 57 HD3 ARG 57 7.675 13.176 -16.311 490 HE ARG 57 HE ARG 57 7.146 15.553 -17.171 491 HH11 ARG 57 HH11 ARG 57 9.581 14.739 -14.800 492 HH12 ARG 57 HH12 ARG 57 10.610 16.078 -15.192 493 HH21 ARG 57 HH21 ARG 57 8.463 17.322 -17.699 494 HH22 ARG 57 HH22 ARG 57 9.958 17.584 -16.846 495 H ARG 58 H ARG 58 2.827 13.207 -15.257 496 HA ARG 58 HA ARG 58 1.405 15.007 -17.102 497 HB2 ARG 58 HB2 ARG 58 2.143 12.095 -17.419 498 HB3 ARG 58 HB3 ARG 58 1.000 12.915 -18.473 499 HG2 ARG 58 HG2 ARG 58 2.804 13.291 -19.741 500 HG3 ARG 58 HG3 ARG 58 3.111 14.602 -18.602 501 HD2 ARG 58 HD2 ARG 58 5.125 13.327 -18.893 502 HD3 ARG 58 HD3 ARG 58 4.502 13.052 -17.266 503 HE ARG 58 HE ARG 58 3.495 10.937 -18.302 504 HH11 ARG 58 HH11 ARG 58 6.529 12.383 -19.352 505 HH12 ARG 58 HH12 ARG 58 7.186 10.873 -19.912 506 HH21 ARG 58 HH21 ARG 58 4.367 8.981 -19.046 507 HH22 ARG 58 HH22 ARG 58 5.958 8.944 -19.746 508 H ALA 59 H ALA 59 -0.785 14.951 -17.233 509 HA ALA 59 HA ALA 59 -2.146 14.133 -14.883 510 HB1 ALA 59 HB1 ALA 59 -3.278 15.100 -17.500 511 HB2 ALA 59 HB2 ALA 59 -2.776 16.123 -16.154 512 HB3 ALA 59 HB3 ALA 59 -4.137 15.018 -15.963 513 H HIS 60 H HIS 60 -1.784 12.717 -18.075 514 HA HIS 60 HA HIS 60 -3.979 10.924 -17.777 515 HB2 HIS 60 HB2 HIS 60 -2.913 9.695 -19.739 516 HB3 HIS 60 HB3 HIS 60 -3.464 11.337 -20.009 517 HD1 HIS 60 HD1 HIS 60 -0.201 9.443 -19.392 518 HD2 HIS 60 HD2 HIS 60 -1.612 12.987 -21.074 519 HE1 HIS 60 HE1 HIS 60 1.753 10.458 -20.601 520 HE2 HIS 60 HE2 HIS 60 0.821 12.476 -21.789 521 H GLU 61 H GLU 61 -0.934 10.915 -16.363 522 HA GLU 61 HA GLU 61 -0.884 8.032 -15.984 523 HB2 GLU 61 HB2 GLU 61 0.930 10.281 -15.314 524 HB3 GLU 61 HB3 GLU 61 0.950 8.902 -14.224 525 HG2 GLU 61 HG2 GLU 61 2.670 8.646 -15.871 526 HG3 GLU 61 HG3 GLU 61 1.426 7.426 -16.131 527 H ARG 62 H ARG 62 -2.143 10.836 -14.456 528 HA ARG 62 HA ARG 62 -2.191 9.912 -11.783 529 HB2 ARG 62 HB2 ARG 62 -2.521 12.301 -12.678 530 HB3 ARG 62 HB3 ARG 62 -4.189 11.827 -12.969 531 HG2 ARG 62 HG2 ARG 62 -4.540 11.410 -10.631 532 HG3 ARG 62 HG3 ARG 62 -2.829 11.679 -10.289 533 HD2 ARG 62 HD2 ARG 62 -3.154 14.006 -11.243 534 HD3 ARG 62 HD3 ARG 62 -4.886 13.685 -11.172 535 HE ARG 62 HE ARG 62 -4.349 13.188 -8.688 536 HH11 ARG 62 HH11 ARG 62 -2.864 15.676 -10.667 537 HH12 ARG 62 HH12 ARG 62 -2.469 16.697 -9.320 538 HH21 ARG 62 HH21 ARG 62 -3.833 14.527 -6.916 539 HH22 ARG 62 HH22 ARG 62 -3.011 16.040 -7.185 540 H ASN 63 H ASN 63 -4.453 9.683 -14.468 541 HA ASN 63 HA ASN 63 -6.339 8.124 -12.896 542 HB2 ASN 63 HB2 ASN 63 -6.328 9.090 -15.754 543 HB3 ASN 63 HB3 ASN 63 -7.545 7.972 -15.151 544 HD21 ASN 63 HD21 ASN 63 -9.070 8.690 -13.693 545 HD22 ASN 63 HD22 ASN 63 -9.352 10.371 -13.399 546 H ARG 64 H ARG 64 -3.486 7.480 -14.238 547 HA ARG 64 HA ARG 64 -4.193 4.962 -15.536 548 HB2 ARG 64 HB2 ARG 64 -2.630 6.493 -16.644 549 HB3 ARG 64 HB3 ARG 64 -1.563 6.428 -15.257 550 HG2 ARG 64 HG2 ARG 64 -1.041 4.127 -15.700 551 HG3 ARG 64 HG3 ARG 64 -2.239 4.070 -16.999 552 HD2 ARG 64 HD2 ARG 64 -0.998 5.710 -18.269 553 HD3 ARG 64 HD3 ARG 64 0.151 5.911 -16.951 554 HE ARG 64 HE ARG 64 0.760 3.517 -17.391 555 HH11 ARG 64 HH11 ARG 64 -0.650 5.508 -19.906 556 HH12 ARG 64 HH12 ARG 64 0.169 4.677 -21.193 557 HH21 ARG 64 HH21 ARG 64 1.870 2.449 -19.089 558 HH22 ARG 64 HH22 ARG 64 1.603 2.951 -20.734 559 H ILE 65 H ILE 65 -2.272 6.212 -12.842 560 HA ILE 65 HA ILE 65 -1.292 3.692 -11.985 561 HB ILE 65 HB ILE 65 -1.549 6.261 -10.415 562 HG12 ILE 65 HG12 ILE 65 -0.218 6.585 -12.423 563 HG13 ILE 65 HG13 ILE 65 0.842 6.569 -11.018 564 HG21 ILE 65 HG21 ILE 65 -1.237 4.385 -8.931 565 HG22 ILE 65 HG22 ILE 65 0.257 5.317 -9.018 566 HG23 ILE 65 HG23 ILE 65 0.112 3.798 -9.903 567 HD11 ILE 65 HD11 ILE 65 1.471 4.266 -11.524 568 HD12 ILE 65 HD12 ILE 65 1.809 5.344 -12.880 569 HD13 ILE 65 HD13 ILE 65 0.401 4.282 -12.924 570 H LYS 66 H LYS 66 -4.169 5.569 -11.146 571 HA LYS 66 HA LYS 66 -4.811 3.851 -8.917 572 HB2 LYS 66 HB2 LYS 66 -6.892 5.186 -8.746 573 HB3 LYS 66 HB3 LYS 66 -5.433 6.161 -8.716 574 HG2 LYS 66 HG2 LYS 66 -5.779 6.854 -10.978 575 HG3 LYS 66 HG3 LYS 66 -7.142 5.745 -11.150 576 HD2 LYS 66 HD2 LYS 66 -7.812 8.111 -10.775 577 HD3 LYS 66 HD3 LYS 66 -8.435 6.995 -9.560 578 HE2 LYS 66 HE2 LYS 66 -6.575 7.651 -8.064 579 HE3 LYS 66 HE3 LYS 66 -6.048 8.819 -9.275 580 HZ1 LYS 66 HZ1 LYS 66 -8.799 8.885 -8.200 581 HZ2 LYS 66 HZ2 LYS 66 -7.910 10.134 -8.934 582 HZ3 LYS 66 HZ3 LYS 66 -7.517 9.626 -7.365 583 H ARG 67 H ARG 67 -4.884 3.157 -12.028 584 HA ARG 67 HA ARG 67 -7.410 1.711 -11.991 585 HB2 ARG 67 HB2 ARG 67 -5.255 2.142 -14.015 586 HB3 ARG 67 HB3 ARG 67 -6.280 0.723 -14.166 587 HG2 ARG 67 HG2 ARG 67 -8.259 2.153 -14.231 588 HG3 ARG 67 HG3 ARG 67 -7.227 3.578 -14.083 589 HD2 ARG 67 HD2 ARG 67 -8.011 2.915 -16.427 590 HD3 ARG 67 HD3 ARG 67 -6.298 3.272 -16.209 591 HE ARG 67 HE ARG 67 -6.209 0.673 -15.909 592 HH11 ARG 67 HH11 ARG 67 -8.267 2.396 -18.166 593 HH12 ARG 67 HH12 ARG 67 -8.160 1.162 -19.387 594 HH21 ARG 67 HH21 ARG 67 -6.057 -0.923 -17.492 595 HH22 ARG 67 HH22 ARG 67 -6.878 -0.721 -19.017 596 H LEU 68 H LEU 68 -3.943 1.067 -12.009 597 HA LEU 68 HA LEU 68 -4.133 -1.754 -11.825 598 HB2 LEU 68 HB2 LEU 68 -2.167 -0.183 -12.525 599 HB3 LEU 68 HB3 LEU 68 -1.803 -0.150 -10.814 600 HG LEU 68 HG LEU 68 -0.445 -1.773 -12.127 601 HD11 LEU 68 HD11 LEU 68 -0.672 -3.639 -10.564 602 HD12 LEU 68 HD12 LEU 68 -2.210 -2.981 -10.005 603 HD13 LEU 68 HD13 LEU 68 -0.716 -2.083 -9.735 604 HD21 LEU 68 HD21 LEU 68 -1.481 -3.851 -12.874 605 HD22 LEU 68 HD22 LEU 68 -2.153 -2.455 -13.723 606 HD23 LEU 68 HD23 LEU 68 -3.070 -3.226 -12.426 607 H THR 69 H THR 69 -3.721 0.824 -9.453 608 HA THR 69 HA THR 69 -3.341 -0.901 -7.225 609 HB THR 69 HB THR 69 -3.850 1.261 -5.928 610 HG1 THR 69 HG1 THR 69 -3.362 2.610 -8.338 611 HG21 THR 69 HG21 THR 69 -1.594 1.195 -7.938 612 HG22 THR 69 HG22 THR 69 -1.583 0.462 -6.332 613 HG23 THR 69 HG23 THR 69 -1.655 2.215 -6.501 614 H ARG 70 H ARG 70 -6.120 0.361 -8.841 615 HA ARG 70 HA ARG 70 -7.995 0.409 -6.765 616 HB2 ARG 70 HB2 ARG 70 -8.348 1.374 -9.013 617 HB3 ARG 70 HB3 ARG 70 -8.463 -0.248 -9.679 618 HG2 ARG 70 HG2 ARG 70 -10.342 -0.382 -7.752 619 HG3 ARG 70 HG3 ARG 70 -10.432 1.329 -8.170 620 HD2 ARG 70 HD2 ARG 70 -10.735 -1.026 -10.026 621 HD3 ARG 70 HD3 ARG 70 -11.989 0.109 -9.534 622 HE ARG 70 HE ARG 70 -10.521 1.826 -10.720 623 HH11 ARG 70 HH11 ARG 70 -10.694 -1.541 -11.673 624 HH12 ARG 70 HH12 ARG 70 -10.384 -1.219 -13.347 625 HH21 ARG 70 HH21 ARG 70 -10.103 2.253 -12.924 626 HH22 ARG 70 HH22 ARG 70 -10.065 0.934 -14.062 627 H GLU 71 H GLU 71 -6.858 -2.221 -8.785 628 HA GLU 71 HA GLU 71 -8.900 -4.017 -7.727 629 HB2 GLU 71 HB2 GLU 71 -6.856 -4.432 -9.907 630 HB3 GLU 71 HB3 GLU 71 -8.134 -5.561 -9.475 631 HG2 GLU 71 HG2 GLU 71 -9.815 -3.972 -10.150 632 HG3 GLU 71 HG3 GLU 71 -8.577 -2.763 -10.486 633 H SER 72 H SER 72 -5.417 -3.552 -7.708 634 HA SER 72 HA SER 72 -4.788 -6.167 -6.806 635 HB2 SER 72 HB2 SER 72 -2.524 -5.069 -6.311 636 HB3 SER 72 HB3 SER 72 -3.088 -5.048 -7.982 637 HG SER 72 HG SER 72 -3.354 -2.941 -7.892 638 H PHE 73 H PHE 73 -6.070 -3.502 -5.163 639 HA PHE 73 HA PHE 73 -5.125 -4.573 -2.591 640 HB2 PHE 73 HB2 PHE 73 -6.000 -1.782 -3.331 641 HB3 PHE 73 HB3 PHE 73 -5.733 -2.308 -1.671 642 HD1 PHE 73 HD2 PHE 73 -3.430 -3.167 -1.048 643 HD2 PHE 73 HD1 PHE 73 -4.217 -1.058 -4.658 644 HE1 PHE 73 HE2 PHE 73 -1.035 -2.654 -1.269 645 HE2 PHE 73 HE1 PHE 73 -1.821 -0.545 -4.884 646 HZ PHE 73 HZ PHE 73 -0.230 -1.343 -3.188 647 H ARG 74 H ARG 74 -7.663 -5.042 -4.454 648 HA ARG 74 HA ARG 74 -9.449 -5.229 -2.143 649 HB2 ARG 74 HB2 ARG 74 -10.146 -3.189 -3.249 650 HB3 ARG 74 HB3 ARG 74 -10.269 -4.028 -4.790 651 HG2 ARG 74 HG2 ARG 74 -12.082 -5.392 -3.934 652 HG3 ARG 74 HG3 ARG 74 -11.928 -4.635 -2.350 653 HD2 ARG 74 HD2 ARG 74 -12.586 -3.138 -4.877 654 HD3 ARG 74 HD3 ARG 74 -13.798 -3.766 -3.765 655 HE ARG 74 HE ARG 74 -12.104 -1.451 -3.390 656 HH11 ARG 74 HH11 ARG 74 -14.135 -3.846 -1.809 657 HH12 ARG 74 HH12 ARG 74 -14.523 -2.803 -0.472 658 HH21 ARG 74 HH21 ARG 74 -12.624 -0.097 -1.623 659 HH22 ARG 74 HH22 ARG 74 -13.659 -0.693 -0.358 660 H LEU 75 H LEU 75 -8.638 -6.343 -5.389 661 HA LEU 75 HA LEU 75 -10.813 -8.202 -5.536 662 HB2 LEU 75 HB2 LEU 75 -8.767 -7.210 -7.274 663 HB3 LEU 75 HB3 LEU 75 -8.793 -8.961 -7.354 664 HG LEU 75 HG LEU 75 -11.177 -7.166 -7.821 665 HD11 LEU 75 HD11 LEU 75 -9.546 -6.942 -9.601 666 HD12 LEU 75 HD12 LEU 75 -10.951 -7.849 -10.162 667 HD13 LEU 75 HD13 LEU 75 -9.456 -8.696 -9.765 668 HD21 LEU 75 HD21 LEU 75 -11.812 -9.332 -6.920 669 HD22 LEU 75 HD22 LEU 75 -10.841 -10.144 -8.149 670 HD23 LEU 75 HD23 LEU 75 -12.261 -9.210 -8.623 671 H ARG 76 H ARG 76 -8.718 -8.448 -3.311 672 HA ARG 76 HA ARG 76 -8.405 -11.360 -3.563 673 HB2 ARG 76 HB2 ARG 76 -6.266 -9.500 -2.492 674 HB3 ARG 76 HB3 ARG 76 -6.176 -11.252 -2.551 675 HG2 ARG 76 HG2 ARG 76 -6.312 -9.434 -4.947 676 HG3 ARG 76 HG3 ARG 76 -4.851 -10.183 -4.310 677 HD2 ARG 76 HD2 ARG 76 -5.860 -12.404 -4.716 678 HD3 ARG 76 HD3 ARG 76 -7.253 -11.606 -5.451 679 HE ARG 76 HE ARG 76 -4.535 -11.753 -6.547 680 HH11 ARG 76 HH11 ARG 76 -7.887 -10.803 -6.912 681 HH12 ARG 76 HH12 ARG 76 -7.733 -10.471 -8.609 682 HH21 ARG 76 HH21 ARG 76 -4.333 -11.314 -8.779 683 HH22 ARG 76 HH22 ARG 76 -5.717 -10.729 -9.670 684 H GLN 77 H GLN 77 -10.350 -9.676 -2.189 685 HA GLN 77 HA GLN 77 -9.563 -9.093 0.449 686 HB2 GLN 77 HB2 GLN 77 -11.901 -8.604 0.896 687 HB3 GLN 77 HB3 GLN 77 -11.386 -7.901 -0.626 688 HG2 GLN 77 HG2 GLN 77 -12.704 -10.558 -0.687 689 HG3 GLN 77 HG3 GLN 77 -13.696 -9.139 -0.361 690 HE21 GLN 77 HE21 GLN 77 -11.848 -10.865 -2.733 691 HE22 GLN 77 HE22 GLN 77 -12.327 -9.892 -4.087 692 H HIS 78 H HIS 78 -10.424 -12.134 -0.860 693 HA HIS 78 HA HIS 78 -11.522 -13.181 1.589 694 HB2 HIS 78 HB2 HIS 78 -12.108 -14.196 -0.590 695 HB3 HIS 78 HB3 HIS 78 -10.431 -14.698 -0.793 696 HD1 HIS 78 HD1 HIS 78 -10.061 -17.068 -0.173 697 HD2 HIS 78 HD2 HIS 78 -13.137 -15.358 2.040 698 HE1 HIS 78 HE1 HIS 78 -10.944 -18.904 1.293 699 HE2 HIS 78 HE2 HIS 78 -12.667 -17.799 2.755 700 H GLU 79 H GLU 79 -8.387 -13.275 -0.030 701 HA GLU 79 HA GLU 79 -7.225 -14.235 2.493 702 HB2 GLU 79 HB2 GLU 79 -7.132 -15.997 0.803 703 HB3 GLU 79 HB3 GLU 79 -6.344 -14.900 -0.320 704 HG2 GLU 79 HG2 GLU 79 -4.387 -14.807 1.074 705 HG3 GLU 79 HG3 GLU 79 -5.179 -15.784 2.309 706 H LEU 80 H LEU 80 -6.905 -12.115 3.137 707 HA LEU 80 HA LEU 80 -4.475 -10.876 2.371 708 HB2 LEU 80 HB2 LEU 80 -5.954 -10.217 0.456 709 HB3 LEU 80 HB3 LEU 80 -7.008 -9.411 1.598 710 HG LEU 80 HG LEU 80 -5.074 -7.930 2.218 711 HD11 LEU 80 HD11 LEU 80 -3.205 -7.800 0.631 712 HD12 LEU 80 HD12 LEU 80 -3.823 -9.230 -0.198 713 HD13 LEU 80 HD13 LEU 80 -3.255 -9.351 1.469 714 HD21 LEU 80 HD21 LEU 80 -5.966 -7.887 -0.662 715 HD22 LEU 80 HD22 LEU 80 -5.274 -6.529 0.229 716 HD23 LEU 80 HD23 LEU 80 -6.838 -7.194 0.705 717 HA PRO 81 HA PRO 81 -5.303 -9.361 6.528 718 HB2 PRO 81 HB2 PRO 81 -3.080 -7.505 5.984 719 HB3 PRO 81 HB3 PRO 81 -3.238 -8.720 7.252 720 HG2 PRO 81 HG2 PRO 81 -1.554 -9.054 5.190 721 HG3 PRO 81 HG3 PRO 81 -2.428 -10.419 5.911 722 HD2 PRO 81 HD2 PRO 81 -3.000 -8.925 3.380 723 HD3 PRO 81 HD3 PRO 81 -3.096 -10.669 3.707 724 H ALA 82 H ALA 82 -7.063 -8.113 6.662 725 HA ALA 82 HA ALA 82 -7.496 -5.871 4.934 726 HB1 ALA 82 HB1 ALA 82 -9.349 -7.304 5.625 727 HB2 ALA 82 HB2 ALA 82 -9.622 -5.630 6.108 728 HB3 ALA 82 HB3 ALA 82 -9.104 -6.818 7.302 729 H MET 83 H MET 83 -6.094 -4.256 5.303 730 HA MET 83 HA MET 83 -6.483 -2.742 7.759 731 HB2 MET 83 HB2 MET 83 -4.067 -2.361 8.036 732 HB3 MET 83 HB3 MET 83 -4.476 -4.059 8.223 733 HG2 MET 83 HG2 MET 83 -3.721 -4.465 5.914 734 HG3 MET 83 HG3 MET 83 -3.245 -2.770 5.796 735 HE1 MET 83 HE1 MET 83 -1.252 -5.100 5.142 736 HE2 MET 83 HE2 MET 83 0.206 -4.597 5.996 737 HE3 MET 83 HE3 MET 83 -0.759 -3.406 5.122 738 H ASP 84 H ASP 84 -4.626 -0.725 7.237 739 HA ASP 84 HA ASP 84 -5.867 0.612 5.018 740 HB2 ASP 84 HB2 ASP 84 -4.618 2.528 5.632 741 HB3 ASP 84 HB3 ASP 84 -5.012 1.741 7.158 742 H PHE 85 H PHE 85 -4.689 1.444 3.174 743 HA PHE 85 HA PHE 85 -2.178 0.044 2.624 744 HB2 PHE 85 HB2 PHE 85 -4.468 0.346 0.662 745 HB3 PHE 85 HB3 PHE 85 -2.875 -0.292 0.272 746 HD1 PHE 85 HD1 PHE 85 -2.111 -2.378 1.591 747 HD2 PHE 85 HD2 PHE 85 -6.160 -1.080 1.356 748 HE1 PHE 85 HE1 PHE 85 -2.867 -4.636 2.212 749 HE2 PHE 85 HE2 PHE 85 -6.920 -3.337 1.978 750 HZ PHE 85 HZ PHE 85 -5.273 -5.115 2.407 751 H VAL 86 H VAL 86 -1.419 2.160 3.402 752 HA VAL 86 HA VAL 86 -1.767 4.481 1.807 753 HB VAL 86 HB VAL 86 0.598 3.779 3.565 754 HG11 VAL 86 HG11 VAL 86 1.077 5.586 1.998 755 HG12 VAL 86 HG12 VAL 86 0.972 6.197 3.649 756 HG13 VAL 86 HG13 VAL 86 -0.369 6.443 2.531 757 HG21 VAL 86 HG21 VAL 86 -1.926 5.298 4.211 758 HG22 VAL 86 HG22 VAL 86 -0.529 5.146 5.276 759 HG23 VAL 86 HG23 VAL 86 -1.468 3.716 4.841 760 H VAL 87 H VAL 87 -1.377 4.344 -0.296 761 HA VAL 87 HA VAL 87 0.946 2.875 -1.274 762 HB VAL 87 HB VAL 87 -1.244 4.250 -2.847 763 HG11 VAL 87 HG11 VAL 87 0.832 2.240 -3.706 764 HG12 VAL 87 HG12 VAL 87 0.837 3.961 -4.096 765 HG13 VAL 87 HG13 VAL 87 -0.441 2.919 -4.723 766 HG21 VAL 87 HG21 VAL 87 -0.936 1.340 -2.117 767 HG22 VAL 87 HG22 VAL 87 -2.162 2.007 -3.195 768 HG23 VAL 87 HG23 VAL 87 -2.157 2.447 -1.487 769 H VAL 88 H VAL 88 2.720 4.111 -0.933 770 HA VAL 88 HA VAL 88 2.660 6.953 -1.525 771 HB VAL 88 HB VAL 88 5.053 5.282 -0.733 772 HG11 VAL 88 HG11 VAL 88 5.973 7.426 0.013 773 HG12 VAL 88 HG12 VAL 88 4.520 8.247 -0.560 774 HG13 VAL 88 HG13 VAL 88 5.592 7.451 -1.710 775 HG21 VAL 88 HG21 VAL 88 3.293 5.055 0.949 776 HG22 VAL 88 HG22 VAL 88 3.151 6.812 1.043 777 HG23 VAL 88 HG23 VAL 88 4.638 6.019 1.564 778 H ALA 89 H ALA 89 2.457 7.231 -3.675 779 HA ALA 89 HA ALA 89 3.914 5.593 -5.548 780 HB1 ALA 89 HB1 ALA 89 2.780 6.882 -7.267 781 HB2 ALA 89 HB2 ALA 89 2.184 8.010 -6.049 782 HB3 ALA 89 HB3 ALA 89 1.631 6.335 -6.045 783 H LYS 90 H LYS 90 5.984 5.920 -5.795 784 HA LYS 90 HA LYS 90 7.175 8.560 -5.510 785 HB2 LYS 90 HB2 LYS 90 8.520 5.969 -6.298 786 HB3 LYS 90 HB3 LYS 90 9.289 7.421 -5.679 787 HG2 LYS 90 HG2 LYS 90 7.320 5.834 -4.065 788 HG3 LYS 90 HG3 LYS 90 9.044 5.466 -4.085 789 HD2 LYS 90 HD2 LYS 90 9.519 7.752 -3.306 790 HD3 LYS 90 HD3 LYS 90 7.784 8.079 -3.248 791 HE2 LYS 90 HE2 LYS 90 8.741 7.495 -1.037 792 HE3 LYS 90 HE3 LYS 90 7.468 6.394 -1.562 793 HZ1 LYS 90 HZ1 LYS 90 10.373 5.849 -1.862 794 HZ2 LYS 90 HZ2 LYS 90 9.098 4.777 -2.174 795 HZ3 LYS 90 HZ3 LYS 90 9.422 5.266 -0.584 796 H LYS 91 H LYS 91 8.904 9.074 -7.292 797 HA LYS 91 HA LYS 91 7.550 9.142 -9.802 798 HB2 LYS 91 HB2 LYS 91 9.566 10.271 -10.652 799 HB3 LYS 91 HB3 LYS 91 8.965 11.008 -9.177 800 HG2 LYS 91 HG2 LYS 91 10.705 9.815 -7.905 801 HG3 LYS 91 HG3 LYS 91 11.331 9.166 -9.425 802 HD2 LYS 91 HD2 LYS 91 11.671 11.474 -10.233 803 HD3 LYS 91 HD3 LYS 91 11.127 12.078 -8.667 804 HE2 LYS 91 HE2 LYS 91 12.980 10.941 -7.573 805 HE3 LYS 91 HE3 LYS 91 13.511 10.294 -9.127 806 HZ1 LYS 91 HZ1 LYS 91 13.729 12.659 -9.869 807 HZ2 LYS 91 HZ2 LYS 91 14.836 12.171 -8.685 808 HZ3 LYS 91 HZ3 LYS 91 13.502 13.124 -8.252 809 H GLY 92 H GLY 92 8.547 8.345 -11.829 810 HA2 GLY 92 HA2 GLY 92 9.802 6.606 -12.913 811 HA3 GLY 92 HA3 GLY 92 9.827 5.735 -11.384 812 H VAL 93 H VAL 93 6.933 6.448 -10.963 813 HA VAL 93 HA VAL 93 5.797 4.185 -12.297 814 HB VAL 93 HB VAL 93 3.674 4.819 -11.244 815 HG11 VAL 93 HG11 VAL 93 4.369 4.602 -8.908 816 HG12 VAL 93 HG12 VAL 93 6.028 4.981 -9.368 817 HG13 VAL 93 HG13 VAL 93 5.261 3.508 -9.962 818 HG21 VAL 93 HG21 VAL 93 3.545 6.754 -9.742 819 HG22 VAL 93 HG22 VAL 93 3.832 7.241 -11.413 820 HG23 VAL 93 HG23 VAL 93 5.160 7.253 -10.252 821 H ALA 94 H ALA 94 5.802 7.645 -12.793 822 HA ALA 94 HA ALA 94 3.879 7.567 -14.940 823 HB1 ALA 94 HB1 ALA 94 4.087 9.570 -13.554 824 HB2 ALA 94 HB2 ALA 94 4.442 9.934 -15.243 825 HB3 ALA 94 HB3 ALA 94 5.758 9.772 -14.081 826 H ASP 95 H ASP 95 5.206 5.755 -15.859 827 HA ASP 95 HA ASP 95 6.707 6.521 -18.118 828 HB2 ASP 95 HB2 ASP 95 8.386 7.017 -16.293 829 HB3 ASP 95 HB3 ASP 95 8.362 5.306 -15.889 830 H LEU 96 H LEU 96 5.629 4.217 -15.788 831 HA LEU 96 HA LEU 96 6.507 1.823 -16.905 832 HB2 LEU 96 HB2 LEU 96 3.981 2.346 -15.343 833 HB3 LEU 96 HB3 LEU 96 4.696 0.770 -15.625 834 HG LEU 96 HG LEU 96 5.936 3.015 -14.037 835 HD11 LEU 96 HD11 LEU 96 4.058 1.956 -12.905 836 HD12 LEU 96 HD12 LEU 96 5.585 1.553 -12.121 837 HD13 LEU 96 HD13 LEU 96 4.786 0.371 -13.161 838 HD21 LEU 96 HD21 LEU 96 7.637 1.714 -15.182 839 HD22 LEU 96 HD22 LEU 96 6.928 0.218 -14.575 840 HD23 LEU 96 HD23 LEU 96 7.658 1.367 -13.454 841 H ASP 97 H ASP 97 6.170 1.089 -18.834 842 HA ASP 97 HA ASP 97 4.130 1.821 -20.614 843 HB2 ASP 97 HB2 ASP 97 6.238 0.863 -21.372 844 HB3 ASP 97 HB3 ASP 97 5.897 -0.643 -20.529 845 H ASN 98 H ASN 98 2.467 0.326 -21.534 846 HA ASN 98 HA ASN 98 0.603 -0.559 -19.705 847 HB2 ASN 98 HB2 ASN 98 1.077 -1.346 -22.572 848 HB3 ASN 98 HB3 ASN 98 -0.248 -2.032 -21.638 849 HD21 ASN 98 HD21 ASN 98 0.905 0.691 -23.372 850 HD22 ASN 98 HD22 ASN 98 -0.510 1.676 -23.180 851 H ARG 99 H ARG 99 3.222 -2.377 -21.232 852 HA ARG 99 HA ARG 99 2.513 -4.910 -20.170 853 HB2 ARG 99 HB2 ARG 99 4.070 -4.806 -22.003 854 HB3 ARG 99 HB3 ARG 99 5.173 -3.794 -21.079 855 HG2 ARG 99 HG2 ARG 99 5.468 -5.697 -19.494 856 HG3 ARG 99 HG3 ARG 99 4.519 -6.691 -20.598 857 HD2 ARG 99 HD2 ARG 99 6.990 -5.213 -21.457 858 HD3 ARG 99 HD3 ARG 99 7.044 -6.846 -20.797 859 HE ARG 99 HE ARG 99 5.384 -6.261 -23.156 860 HH11 ARG 99 HH11 ARG 99 8.056 -7.956 -21.630 861 HH12 ARG 99 HH12 ARG 99 8.310 -9.030 -22.974 862 HH21 ARG 99 HH21 ARG 99 5.727 -7.669 -24.925 863 HH22 ARG 99 HH22 ARG 99 6.991 -8.867 -24.853 864 H ALA 100 H ALA 100 4.740 -2.395 -19.060 865 HA ALA 100 HA ALA 100 5.828 -3.768 -16.886 866 HB1 ALA 100 HB1 ALA 100 6.801 -1.728 -17.836 867 HB2 ALA 100 HB2 ALA 100 6.586 -1.603 -16.087 868 HB3 ALA 100 HB3 ALA 100 5.460 -0.789 -17.178 869 H LEU 101 H LEU 101 2.894 -1.846 -17.155 870 HA LEU 101 HA LEU 101 2.248 -1.665 -14.427 871 HB2 LEU 101 HB2 LEU 101 0.413 -1.882 -16.814 872 HB3 LEU 101 HB3 LEU 101 -0.090 -1.402 -15.205 873 HG LEU 101 HG LEU 101 1.882 0.124 -16.915 874 HD11 LEU 101 HD11 LEU 101 -0.311 0.223 -17.916 875 HD12 LEU 101 HD12 LEU 101 0.044 1.766 -17.132 876 HD13 LEU 101 HD13 LEU 101 -1.041 0.610 -16.358 877 HD21 LEU 101 HD21 LEU 101 1.607 1.887 -15.258 878 HD22 LEU 101 HD22 LEU 101 2.218 0.412 -14.503 879 HD23 LEU 101 HD23 LEU 101 0.521 0.856 -14.324 880 H SER 102 H SER 102 1.479 -4.136 -16.835 881 HA SER 102 HA SER 102 -0.113 -5.722 -15.101 882 HB2 SER 102 HB2 SER 102 -0.348 -5.814 -17.541 883 HB3 SER 102 HB3 SER 102 1.294 -6.433 -17.689 884 HG SER 102 HG SER 102 -0.790 -7.749 -16.263 885 H GLU 103 H GLU 103 3.306 -5.738 -15.992 886 HA GLU 103 HA GLU 103 3.844 -8.240 -14.685 887 HB2 GLU 103 HB2 GLU 103 5.824 -6.140 -15.580 888 HB3 GLU 103 HB3 GLU 103 6.164 -7.828 -15.222 889 HG2 GLU 103 HG2 GLU 103 4.566 -8.407 -17.089 890 HG3 GLU 103 HG3 GLU 103 4.609 -6.700 -17.524 891 H ALA 104 H ALA 104 3.573 -4.999 -13.647 892 HA ALA 104 HA ALA 104 5.228 -5.347 -11.296 893 HB1 ALA 104 HB1 ALA 104 3.324 -3.115 -12.010 894 HB2 ALA 104 HB2 ALA 104 5.052 -3.146 -12.364 895 HB3 ALA 104 HB3 ALA 104 4.494 -3.102 -10.691 896 H LEU 105 H LEU 105 1.883 -5.630 -12.195 897 HA LEU 105 HA LEU 105 0.633 -5.393 -9.715 898 HB2 LEU 105 HB2 LEU 105 -0.395 -5.582 -12.051 899 HB3 LEU 105 HB3 LEU 105 -0.225 -7.314 -11.872 900 HG LEU 105 HG LEU 105 -1.816 -5.640 -9.925 901 HD11 LEU 105 HD11 LEU 105 -2.820 -7.109 -12.357 902 HD12 LEU 105 HD12 LEU 105 -2.746 -5.359 -12.170 903 HD13 LEU 105 HD13 LEU 105 -3.812 -6.312 -11.140 904 HD21 LEU 105 HD21 LEU 105 -1.173 -7.850 -9.113 905 HD22 LEU 105 HD22 LEU 105 -1.841 -8.590 -10.567 906 HD23 LEU 105 HD23 LEU 105 -2.909 -7.778 -9.424 907 H GLU 106 H GLU 106 2.036 -8.247 -11.291 908 HA GLU 106 HA GLU 106 1.222 -10.092 -9.333 909 HB2 GLU 106 HB2 GLU 106 2.884 -11.612 -10.283 910 HB3 GLU 106 HB3 GLU 106 1.956 -10.817 -11.545 911 HG2 GLU 106 HG2 GLU 106 3.749 -9.459 -12.173 912 HG3 GLU 106 HG3 GLU 106 4.624 -9.773 -10.674 913 H LYS 107 H LYS 107 3.973 -7.928 -9.508 914 HA LYS 107 HA LYS 107 5.569 -9.196 -7.548 915 HB2 LYS 107 HB2 LYS 107 5.485 -6.259 -8.281 916 HB3 LYS 107 HB3 LYS 107 6.781 -7.070 -7.411 917 HG2 LYS 107 HG2 LYS 107 5.946 -7.633 -10.253 918 HG3 LYS 107 HG3 LYS 107 7.361 -6.708 -9.751 919 HD2 LYS 107 HD2 LYS 107 6.904 -9.580 -8.961 920 HD3 LYS 107 HD3 LYS 107 7.795 -9.106 -10.407 921 HE2 LYS 107 HE2 LYS 107 8.497 -8.223 -7.612 922 HE3 LYS 107 HE3 LYS 107 9.227 -9.604 -8.429 923 HZ1 LYS 107 HZ1 LYS 107 10.001 -8.073 -10.173 924 HZ2 LYS 107 HZ2 LYS 107 10.637 -7.688 -8.650 925 HZ3 LYS 107 HZ3 LYS 107 9.372 -6.763 -9.296 926 H LEU 108 H LEU 108 2.944 -6.887 -7.387 927 HA LEU 108 HA LEU 108 3.147 -6.400 -4.583 928 HB2 LEU 108 HB2 LEU 108 1.051 -5.922 -6.662 929 HB3 LEU 108 HB3 LEU 108 0.627 -5.775 -4.969 930 HG LEU 108 HG LEU 108 2.386 -4.046 -4.704 931 HD11 LEU 108 HD11 LEU 108 3.879 -4.704 -6.509 932 HD12 LEU 108 HD12 LEU 108 3.369 -3.024 -6.697 933 HD13 LEU 108 HD13 LEU 108 2.645 -4.284 -7.699 934 HD21 LEU 108 HD21 LEU 108 0.361 -3.487 -6.867 935 HD22 LEU 108 HD22 LEU 108 1.177 -2.284 -5.870 936 HD23 LEU 108 HD23 LEU 108 0.062 -3.432 -5.129 937 H TRP 109 H TRP 109 1.318 -8.640 -6.601 938 HA TRP 109 HA TRP 109 -0.208 -9.793 -4.519 939 HB2 TRP 109 HB2 TRP 109 -0.935 -10.103 -6.785 940 HB3 TRP 109 HB3 TRP 109 0.592 -10.857 -7.236 941 HD1 TRP 109 HD1 TRP 109 0.230 -13.360 -7.610 942 HE1 TRP 109 HE1 TRP 109 -1.131 -15.229 -6.474 943 HE3 TRP 109 HE3 TRP 109 -2.116 -10.589 -4.002 944 HZ2 TRP 109 HZ2 TRP 109 -2.950 -15.490 -4.337 945 HZ3 TRP 109 HZ3 TRP 109 -3.650 -11.731 -2.455 946 HH2 TRP 109 HH2 TRP 109 -4.057 -14.126 -2.621 947 H ARG 110 H ARG 110 2.903 -10.654 -5.950 948 HA ARG 110 HA ARG 110 3.305 -13.089 -4.637 949 HB2 ARG 110 HB2 ARG 110 5.236 -11.038 -5.711 950 HB3 ARG 110 HB3 ARG 110 5.765 -12.580 -5.051 951 HG2 ARG 110 HG2 ARG 110 4.782 -13.801 -6.769 952 HG3 ARG 110 HG3 ARG 110 3.702 -12.481 -7.217 953 HD2 ARG 110 HD2 ARG 110 5.429 -12.738 -8.889 954 HD3 ARG 110 HD3 ARG 110 5.630 -11.207 -8.044 955 HE ARG 110 HE ARG 110 7.280 -12.851 -6.685 956 HH11 ARG 110 HH11 ARG 110 6.890 -12.163 -10.113 957 HH12 ARG 110 HH12 ARG 110 8.563 -12.474 -10.479 958 HH21 ARG 110 HH21 ARG 110 9.474 -13.206 -7.182 959 HH22 ARG 110 HH22 ARG 110 10.028 -13.033 -8.824 960 H ARG 111 H ARG 111 3.717 -9.810 -3.512 961 HA ARG 111 HA ARG 111 4.973 -10.663 -1.039 962 HB2 ARG 111 HB2 ARG 111 5.593 -8.507 -2.040 963 HB3 ARG 111 HB3 ARG 111 3.931 -7.955 -1.904 964 HG2 ARG 111 HG2 ARG 111 5.247 -6.981 -0.151 965 HG3 ARG 111 HG3 ARG 111 4.106 -8.126 0.552 966 HD2 ARG 111 HD2 ARG 111 5.862 -9.788 0.762 967 HD3 ARG 111 HD3 ARG 111 7.011 -8.708 -0.032 968 HE ARG 111 HE ARG 111 5.969 -7.361 2.174 969 HH11 ARG 111 HH11 ARG 111 7.961 -10.166 1.543 970 HH12 ARG 111 HH12 ARG 111 8.840 -10.048 3.039 971 HH21 ARG 111 HH21 ARG 111 7.137 -7.184 4.130 972 HH22 ARG 111 HH22 ARG 111 8.391 -8.331 4.499 973 H HIS 112 H HIS 112 1.804 -9.637 -2.193 974 HA HIS 112 HA HIS 112 0.544 -9.369 0.320 975 HB2 HIS 112 HB2 HIS 112 -0.541 -9.916 -2.440 976 HB3 HIS 112 HB3 HIS 112 -1.594 -9.800 -1.036 977 HD1 HIS 112 HD1 HIS 112 -2.016 -7.806 -3.256 978 HD2 HIS 112 HD2 HIS 112 0.575 -7.133 -0.074 979 HE1 HIS 112 HE1 HIS 112 -1.778 -5.310 -3.098 980 HE2 HIS 112 HE2 HIS 112 -0.320 -4.926 -1.083 981 H CYS 113 H CYS 113 0.800 -12.108 -1.906 982 HA CYS 113 HA CYS 113 -0.913 -13.878 -0.602 983 HB2 CYS 113 HB2 CYS 113 -0.022 -14.245 -2.866 984 HB3 CYS 113 HB3 CYS 113 1.582 -14.508 -2.195 985 HG CYS 113 HG CYS 113 -1.073 -16.505 -1.400 986 H ARG 114 H ARG 114 2.535 -13.287 -0.106 987 HA ARG 114 HA ARG 114 2.864 -15.359 1.815 988 HB2 ARG 114 HB2 ARG 114 4.536 -12.957 1.098 989 HB3 ARG 114 HB3 ARG 114 5.010 -14.109 2.339 990 HG2 ARG 114 HG2 ARG 114 4.467 -14.822 -0.536 991 HG3 ARG 114 HG3 ARG 114 6.070 -14.540 0.151 992 HD2 ARG 114 HD2 ARG 114 5.721 -16.381 1.719 993 HD3 ARG 114 HD3 ARG 114 4.113 -16.654 1.050 994 HE ARG 114 HE ARG 114 5.290 -17.185 -1.087 995 HH11 ARG 114 HH11 ARG 114 6.891 -17.570 2.006 996 HH12 ARG 114 HH12 ARG 114 8.019 -18.758 1.419 997 HH21 ARG 114 HH21 ARG 114 6.764 -18.739 -1.865 998 HH22 ARG 114 HH22 ARG 114 7.960 -19.405 -0.788 999 H LEU 115 H LEU 115 2.127 -11.924 2.006 1000 HA LEU 115 HA LEU 115 2.476 -11.686 4.814 1001 HB2 LEU 115 HB2 LEU 115 2.491 -9.771 3.244 1002 HB3 LEU 115 HB3 LEU 115 0.782 -10.020 2.944 1003 HG LEU 115 HG LEU 115 0.331 -9.528 5.341 1004 HD11 LEU 115 HD11 LEU 115 3.260 -8.810 5.381 1005 HD12 LEU 115 HD12 LEU 115 2.497 -10.140 6.259 1006 HD13 LEU 115 HD13 LEU 115 2.099 -8.470 6.665 1007 HD21 LEU 115 HD21 LEU 115 0.678 -7.121 5.154 1008 HD22 LEU 115 HD22 LEU 115 0.122 -7.797 3.623 1009 HD23 LEU 115 HD23 LEU 115 1.821 -7.379 3.834 1010 H ALA 116 H ALA 116 -0.141 -12.742 2.785 1011 HA ALA 116 HA ALA 116 -2.191 -12.445 4.771 1012 HB1 ALA 116 HB1 ALA 116 -2.700 -12.253 2.401 1013 HB2 ALA 116 HB2 ALA 116 -3.632 -13.554 3.139 1014 HB3 ALA 116 HB3 ALA 116 -2.221 -13.929 2.148 1015 H ARG 117 H ARG 117 0.165 -14.846 4.125 1016 HA ARG 117 HA ARG 117 -1.408 -16.827 5.648 1017 HB2 ARG 117 HB2 ARG 117 0.776 -17.312 3.614 1018 HB3 ARG 117 HB3 ARG 117 -0.056 -18.564 4.532 1019 HG2 ARG 117 HG2 ARG 117 -2.169 -17.927 3.498 1020 HG3 ARG 117 HG3 ARG 117 -1.338 -16.671 2.578 1021 HD2 ARG 117 HD2 ARG 117 0.093 -18.469 1.584 1022 HD3 ARG 117 HD3 ARG 117 -0.951 -19.650 2.377 1023 HE ARG 117 HE ARG 117 -2.693 -18.095 0.990 1024 HH11 ARG 117 HH11 ARG 117 0.108 -20.022 0.154 1025 HH12 ARG 117 HH12 ARG 117 -0.360 -20.222 -1.507 1026 HH21 ARG 117 HH21 ARG 117 -3.312 -18.321 -1.172 1027 HH22 ARG 117 HH22 ARG 117 -2.328 -19.249 -2.272 1028 H GLY 118 H GLY 118 1.585 -15.087 5.441 1029 HA2 GLY 118 HA2 GLY 118 2.598 -14.857 7.749 1030 HA3 GLY 118 HA3 GLY 118 2.614 -16.615 7.746 1031 H SER 119 H SER 119 4.368 -13.853 7.046 1032 HA SER 119 HA SER 119 5.899 -14.766 4.835 1033 HB2 SER 119 HB2 SER 119 6.582 -12.638 6.874 1034 HB3 SER 119 HB3 SER 119 7.307 -12.828 5.277 1035 HG SER 119 HG SER 119 4.669 -12.736 4.983 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -4.378 -0.831 27.502 2 H2 MET 1 H2 MET 1 -3.685 -1.177 29.010 3 H3 MET 1 H3 MET 1 -3.860 -2.406 27.852 4 HA MET 1 HA MET 1 -2.144 -0.010 27.571 5 HB2 MET 1 HB2 MET 1 -1.239 -1.559 29.234 6 HB3 MET 1 HB3 MET 1 -1.428 -2.903 28.113 7 HG2 MET 1 HG2 MET 1 0.173 -1.773 26.587 8 HG3 MET 1 HG3 MET 1 0.441 -0.561 27.838 9 HE1 MET 1 HE1 MET 1 2.812 -2.190 26.534 10 HE2 MET 1 HE2 MET 1 3.758 -2.639 27.953 11 HE3 MET 1 HE3 MET 1 3.060 -1.024 27.837 12 H VAL 2 H VAL 2 -2.387 0.527 25.480 13 HA VAL 2 HA VAL 2 -2.401 -1.617 23.500 14 HB VAL 2 HB VAL 2 -4.135 0.007 23.145 15 HG11 VAL 2 HG11 VAL 2 -3.183 1.918 24.306 16 HG12 VAL 2 HG12 VAL 2 -3.682 2.364 22.677 17 HG13 VAL 2 HG13 VAL 2 -1.976 2.109 23.035 18 HG21 VAL 2 HG21 VAL 2 -3.652 0.697 20.854 19 HG22 VAL 2 HG22 VAL 2 -3.098 -0.948 21.158 20 HG23 VAL 2 HG23 VAL 2 -1.938 0.379 21.114 21 H LYS 3 H LYS 3 -0.412 -2.324 23.256 22 HA LYS 3 HA LYS 3 1.866 -0.541 23.291 23 HB2 LYS 3 HB2 LYS 3 3.146 -2.682 22.924 24 HB3 LYS 3 HB3 LYS 3 2.182 -2.627 24.394 25 HG2 LYS 3 HG2 LYS 3 0.448 -3.958 23.314 26 HG3 LYS 3 HG3 LYS 3 1.394 -3.993 21.827 27 HD2 LYS 3 HD2 LYS 3 2.316 -5.089 24.479 28 HD3 LYS 3 HD3 LYS 3 1.617 -6.057 23.179 29 HE2 LYS 3 HE2 LYS 3 3.439 -5.510 21.716 30 HE3 LYS 3 HE3 LYS 3 4.082 -4.350 22.877 31 HZ1 LYS 3 HZ1 LYS 3 5.231 -6.550 22.818 32 HZ2 LYS 3 HZ2 LYS 3 3.822 -7.244 23.462 33 HZ3 LYS 3 HZ3 LYS 3 4.676 -6.073 24.347 34 H LEU 4 H LEU 4 -0.253 -1.864 21.008 35 HA LEU 4 HA LEU 4 1.498 -1.857 18.749 36 HB2 LEU 4 HB2 LEU 4 -0.539 -3.231 18.889 37 HB3 LEU 4 HB3 LEU 4 -1.519 -1.782 18.940 38 HG LEU 4 HG LEU 4 0.246 -2.145 16.574 39 HD11 LEU 4 HD11 LEU 4 -2.320 -3.675 16.984 40 HD12 LEU 4 HD12 LEU 4 -0.705 -4.378 16.915 41 HD13 LEU 4 HD13 LEU 4 -1.385 -3.591 15.492 42 HD21 LEU 4 HD21 LEU 4 -2.583 -1.170 16.971 43 HD22 LEU 4 HD22 LEU 4 -1.690 -1.150 15.449 44 HD23 LEU 4 HD23 LEU 4 -1.149 -0.155 16.803 45 H ALA 5 H ALA 5 -0.147 0.524 20.534 46 HA ALA 5 HA ALA 5 0.379 2.529 18.446 47 HB1 ALA 5 HB1 ALA 5 -1.454 3.863 19.369 48 HB2 ALA 5 HB2 ALA 5 -1.780 2.599 20.556 49 HB3 ALA 5 HB3 ALA 5 -2.025 2.280 18.840 50 H PHE 6 H PHE 6 0.356 4.816 19.741 51 HA PHE 6 HA PHE 6 2.098 4.484 22.085 52 HB2 PHE 6 HB2 PHE 6 2.480 6.466 19.827 53 HB3 PHE 6 HB3 PHE 6 3.435 6.417 21.307 54 HD1 PHE 6 HD1 PHE 6 4.746 4.287 21.794 55 HD2 PHE 6 HD2 PHE 6 3.094 5.193 17.980 56 HE1 PHE 6 HE1 PHE 6 6.286 2.679 20.749 57 HE2 PHE 6 HE2 PHE 6 4.630 3.584 16.927 58 HZ PHE 6 HZ PHE 6 6.228 2.323 18.314 59 HA PRO 7 HA PRO 7 -0.937 7.158 23.929 60 HB2 PRO 7 HB2 PRO 7 0.500 7.733 26.187 61 HB3 PRO 7 HB3 PRO 7 -0.404 6.233 25.957 62 HG2 PRO 7 HG2 PRO 7 2.522 6.756 25.596 63 HG3 PRO 7 HG3 PRO 7 1.716 5.363 26.344 64 HD2 PRO 7 HD2 PRO 7 2.691 5.266 23.837 65 HD3 PRO 7 HD3 PRO 7 1.216 4.396 24.306 66 H ARG 8 H ARG 8 -1.298 9.324 23.975 67 HA ARG 8 HA ARG 8 0.575 10.973 22.597 68 HB2 ARG 8 HB2 ARG 8 -1.096 12.730 22.793 69 HB3 ARG 8 HB3 ARG 8 -1.857 11.222 22.307 70 HG2 ARG 8 HG2 ARG 8 -2.582 10.867 24.633 71 HG3 ARG 8 HG3 ARG 8 -1.870 12.422 25.068 72 HD2 ARG 8 HD2 ARG 8 -4.232 12.714 24.725 73 HD3 ARG 8 HD3 ARG 8 -3.357 13.514 23.418 74 HE ARG 8 HE ARG 8 -4.281 10.792 22.921 75 HH11 ARG 8 HH11 ARG 8 -4.765 14.236 22.452 76 HH12 ARG 8 HH12 ARG 8 -5.862 14.025 21.116 77 HH21 ARG 8 HH21 ARG 8 -5.746 10.517 21.187 78 HH22 ARG 8 HH22 ARG 8 -6.437 11.911 20.417 79 H GLU 9 H GLU 9 0.020 10.255 25.888 80 HA GLU 9 HA GLU 9 1.076 12.575 27.097 81 HB2 GLU 9 HB2 GLU 9 1.346 9.754 28.151 82 HB3 GLU 9 HB3 GLU 9 1.382 11.242 29.081 83 HG2 GLU 9 HG2 GLU 9 -0.734 10.516 29.515 84 HG3 GLU 9 HG3 GLU 9 -1.030 11.547 28.116 85 H LEU 10 H LEU 10 2.541 9.969 25.390 86 HA LEU 10 HA LEU 10 5.220 10.581 26.347 87 HB2 LEU 10 HB2 LEU 10 4.325 8.250 25.722 88 HB3 LEU 10 HB3 LEU 10 4.473 8.766 24.058 89 HG LEU 10 HG LEU 10 6.805 8.703 25.978 90 HD11 LEU 10 HD11 LEU 10 5.958 6.630 23.961 91 HD12 LEU 10 HD12 LEU 10 5.879 6.456 25.715 92 HD13 LEU 10 HD13 LEU 10 7.443 6.608 24.912 93 HD21 LEU 10 HD21 LEU 10 8.146 8.729 23.939 94 HD22 LEU 10 HD22 LEU 10 7.108 10.153 24.035 95 HD23 LEU 10 HD23 LEU 10 6.676 8.818 22.968 96 H ARG 11 H ARG 11 3.472 10.583 23.253 97 HA ARG 11 HA ARG 11 4.811 13.036 22.469 98 HB2 ARG 11 HB2 ARG 11 6.348 11.285 21.696 99 HB3 ARG 11 HB3 ARG 11 5.034 10.487 20.849 100 HG2 ARG 11 HG2 ARG 11 6.425 11.721 19.300 101 HG3 ARG 11 HG3 ARG 11 4.812 12.431 19.373 102 HD2 ARG 11 HD2 ARG 11 5.612 14.186 20.827 103 HD3 ARG 11 HD3 ARG 11 7.210 13.446 20.891 104 HE ARG 11 HE ARG 11 7.314 13.911 18.432 105 HH11 ARG 11 HH11 ARG 11 5.215 15.793 20.512 106 HH12 ARG 11 HH12 ARG 11 5.292 17.217 19.513 107 HH21 ARG 11 HH21 ARG 11 7.484 15.807 17.164 108 HH22 ARG 11 HH22 ARG 11 6.599 17.230 17.626 109 H LEU 12 H LEU 12 3.367 14.321 21.504 110 HA LEU 12 HA LEU 12 0.761 13.335 20.826 111 HB2 LEU 12 HB2 LEU 12 1.513 15.692 21.703 112 HB3 LEU 12 HB3 LEU 12 1.783 16.033 20.007 113 HG LEU 12 HG LEU 12 -0.393 16.858 20.782 114 HD11 LEU 12 HD11 LEU 12 -1.799 15.888 19.039 115 HD12 LEU 12 HD12 LEU 12 -0.638 14.576 18.830 116 HD13 LEU 12 HD13 LEU 12 -0.176 16.235 18.442 117 HD21 LEU 12 HD21 LEU 12 -0.822 15.216 22.519 118 HD22 LEU 12 HD22 LEU 12 -1.018 13.957 21.299 119 HD23 LEU 12 HD23 LEU 12 -2.169 15.291 21.383 120 H LEU 13 H LEU 13 0.523 12.135 19.074 121 HA LEU 13 HA LEU 13 1.970 12.878 16.633 122 HB2 LEU 13 HB2 LEU 13 1.523 10.469 15.961 123 HB3 LEU 13 HB3 LEU 13 2.706 10.731 17.225 124 HG LEU 13 HG LEU 13 0.777 10.238 18.865 125 HD11 LEU 13 HD11 LEU 13 -0.953 8.734 17.980 126 HD12 LEU 13 HD12 LEU 13 -0.382 9.063 16.345 127 HD13 LEU 13 HD13 LEU 13 -1.071 10.362 17.315 128 HD21 LEU 13 HD21 LEU 13 2.669 8.758 18.533 129 HD22 LEU 13 HD22 LEU 13 1.899 8.062 17.108 130 HD23 LEU 13 HD23 LEU 13 1.180 7.829 18.701 131 H THR 14 H THR 14 0.737 12.032 14.624 132 HA THR 14 HA THR 14 -1.841 13.325 14.667 133 HB THR 14 HB THR 14 -0.590 11.877 12.333 134 HG1 THR 14 HG1 THR 14 0.272 14.126 13.632 135 HG21 THR 14 HG21 THR 14 -2.913 12.543 12.031 136 HG22 THR 14 HG22 THR 14 -1.860 13.536 11.024 137 HG23 THR 14 HG23 THR 14 -2.519 14.192 12.522 138 HA PRO 15 HA PRO 15 -3.910 9.475 15.508 139 HB2 PRO 15 HB2 PRO 15 -6.443 10.386 15.446 140 HB3 PRO 15 HB3 PRO 15 -5.331 10.792 16.758 141 HG2 PRO 15 HG2 PRO 15 -6.099 12.418 14.360 142 HG3 PRO 15 HG3 PRO 15 -5.945 12.927 16.051 143 HD2 PRO 15 HD2 PRO 15 -4.008 13.355 14.193 144 HD3 PRO 15 HD3 PRO 15 -3.660 13.119 15.918 145 H SER 16 H SER 16 -3.581 10.752 12.554 146 HA SER 16 HA SER 16 -5.672 9.230 11.232 147 HB2 SER 16 HB2 SER 16 -3.438 10.939 10.103 148 HB3 SER 16 HB3 SER 16 -4.719 10.183 9.152 149 HG SER 16 HG SER 16 -6.237 11.431 10.296 150 H GLN 17 H GLN 17 -5.384 7.334 10.198 151 HA GLN 17 HA GLN 17 -3.420 5.555 10.984 152 HB2 GLN 17 HB2 GLN 17 -5.124 5.504 8.486 153 HB3 GLN 17 HB3 GLN 17 -4.210 4.133 9.098 154 HG2 GLN 17 HG2 GLN 17 -6.333 5.540 10.696 155 HG3 GLN 17 HG3 GLN 17 -6.661 4.161 9.648 156 HE21 GLN 17 HE21 GLN 17 -6.035 2.127 10.273 157 HE22 GLN 17 HE22 GLN 17 -5.437 1.774 11.858 158 H PHE 18 H PHE 18 -3.390 7.800 8.315 159 HA PHE 18 HA PHE 18 -1.351 6.713 6.744 160 HB2 PHE 18 HB2 PHE 18 -1.974 9.642 7.178 161 HB3 PHE 18 HB3 PHE 18 -1.082 8.962 5.824 162 HD1 PHE 18 HD2 PHE 18 -2.250 7.613 4.129 163 HD2 PHE 18 HD1 PHE 18 -4.357 9.600 7.247 164 HE1 PHE 18 HE2 PHE 18 -4.348 7.348 2.875 165 HE2 PHE 18 HE1 PHE 18 -6.462 9.336 6.000 166 HZ PHE 18 HZ PHE 18 -6.459 8.208 3.810 167 H THR 19 H THR 19 -1.198 8.839 9.565 168 HA THR 19 HA THR 19 1.697 9.026 9.386 169 HB THR 19 HB THR 19 -0.046 10.081 11.617 170 HG1 THR 19 HG1 THR 19 0.622 11.951 9.788 171 HG21 THR 19 HG21 THR 19 1.743 11.753 11.819 172 HG22 THR 19 HG22 THR 19 2.615 10.979 10.497 173 HG23 THR 19 HG23 THR 19 2.371 10.115 12.014 174 H PHE 20 H PHE 20 -0.703 7.134 10.932 175 HA PHE 20 HA PHE 20 0.754 6.385 13.252 176 HB2 PHE 20 HB2 PHE 20 -1.683 6.218 13.142 177 HB3 PHE 20 HB3 PHE 20 -1.561 5.018 11.862 178 HD1 PHE 20 HD2 PHE 20 -0.659 5.646 15.407 179 HD2 PHE 20 HD1 PHE 20 -1.428 2.760 12.375 180 HE1 PHE 20 HE2 PHE 20 -0.601 3.861 17.096 181 HE2 PHE 20 HE1 PHE 20 -1.375 0.967 14.062 182 HZ PHE 20 HZ PHE 20 -0.961 1.519 16.426 183 H VAL 21 H VAL 21 0.339 4.929 10.049 184 HA VAL 21 HA VAL 21 1.748 2.535 10.689 185 HB VAL 21 HB VAL 21 1.771 2.096 8.272 186 HG11 VAL 21 HG11 VAL 21 -0.219 1.554 9.574 187 HG12 VAL 21 HG12 VAL 21 -0.642 2.019 7.927 188 HG13 VAL 21 HG13 VAL 21 -0.874 3.158 9.253 189 HG21 VAL 21 HG21 VAL 21 2.174 4.361 7.458 190 HG22 VAL 21 HG22 VAL 21 0.573 4.856 8.009 191 HG23 VAL 21 HG23 VAL 21 0.733 3.673 6.710 192 H PHE 22 H PHE 22 2.744 5.699 9.805 193 HA PHE 22 HA PHE 22 5.188 5.022 8.507 194 HB2 PHE 22 HB2 PHE 22 3.929 7.168 8.202 195 HB3 PHE 22 HB3 PHE 22 4.445 7.644 9.816 196 HD1 PHE 22 HD1 PHE 22 5.848 6.502 6.562 197 HD2 PHE 22 HD2 PHE 22 6.381 8.885 10.049 198 HE1 PHE 22 HE1 PHE 22 7.922 7.423 5.610 199 HE2 PHE 22 HE2 PHE 22 8.456 9.809 9.102 200 HZ PHE 22 HZ PHE 22 9.229 9.077 6.883 201 H GLN 23 H GLN 23 4.259 5.020 11.765 202 HA GLN 23 HA GLN 23 6.698 5.785 12.992 203 HB2 GLN 23 HB2 GLN 23 4.540 3.944 14.043 204 HB3 GLN 23 HB3 GLN 23 5.801 4.705 15.005 205 HG2 GLN 23 HG2 GLN 23 3.603 6.111 13.508 206 HG3 GLN 23 HG3 GLN 23 3.708 5.887 15.254 207 HE21 GLN 23 HE21 GLN 23 3.584 8.333 13.612 208 HE22 GLN 23 HE22 GLN 23 4.968 9.262 14.072 209 H GLN 24 H GLN 24 5.486 2.784 11.692 210 HA GLN 24 HA GLN 24 8.009 1.636 11.305 211 HB2 GLN 24 HB2 GLN 24 7.404 1.423 13.944 212 HB3 GLN 24 HB3 GLN 24 6.622 -0.026 13.335 213 HG2 GLN 24 HG2 GLN 24 9.523 0.688 12.986 214 HG3 GLN 24 HG3 GLN 24 8.875 -0.478 14.136 215 HE21 GLN 24 HE21 GLN 24 8.109 -2.446 13.391 216 HE22 GLN 24 HE22 GLN 24 8.512 -3.055 11.824 217 HA PRO 25 HA PRO 25 4.528 -0.221 9.053 218 HB2 PRO 25 HB2 PRO 25 5.257 0.544 6.597 219 HB3 PRO 25 HB3 PRO 25 4.574 1.690 7.754 220 HG2 PRO 25 HG2 PRO 25 7.359 1.407 6.811 221 HG3 PRO 25 HG3 PRO 25 6.527 2.831 7.454 222 HD2 PRO 25 HD2 PRO 25 8.278 1.017 8.840 223 HD3 PRO 25 HD3 PRO 25 7.459 2.455 9.481 224 H GLN 26 H GLN 26 4.356 -1.797 7.333 225 HA GLN 26 HA GLN 26 6.600 -3.642 7.191 226 HB2 GLN 26 HB2 GLN 26 3.757 -3.779 6.169 227 HB3 GLN 26 HB3 GLN 26 4.942 -5.058 5.937 228 HG2 GLN 26 HG2 GLN 26 5.034 -5.526 8.246 229 HG3 GLN 26 HG3 GLN 26 4.179 -4.040 8.657 230 HE21 GLN 26 HE21 GLN 26 3.599 -6.885 9.258 231 HE22 GLN 26 HE22 GLN 26 1.989 -7.141 8.679 232 H ARG 27 H ARG 27 7.956 -3.733 5.493 233 HA ARG 27 HA ARG 27 7.643 -1.706 3.458 234 HB2 ARG 27 HB2 ARG 27 9.821 -2.673 4.718 235 HB3 ARG 27 HB3 ARG 27 9.864 -3.660 3.265 236 HG2 ARG 27 HG2 ARG 27 9.718 -0.654 3.249 237 HG3 ARG 27 HG3 ARG 27 11.218 -1.575 3.147 238 HD2 ARG 27 HD2 ARG 27 8.942 -1.951 1.217 239 HD3 ARG 27 HD3 ARG 27 10.222 -0.766 0.959 240 HE ARG 27 HE ARG 27 11.628 -3.020 1.370 241 HH11 ARG 27 HH11 ARG 27 8.859 -2.360 -0.660 242 HH12 ARG 27 HH12 ARG 27 9.331 -3.468 -1.909 243 HH21 ARG 27 HH21 ARG 27 12.289 -4.461 -0.287 244 HH22 ARG 27 HH22 ARG 27 11.297 -4.656 -1.706 245 H ALA 28 H ALA 28 5.847 -2.449 2.313 246 HA ALA 28 HA ALA 28 6.312 -4.861 0.685 247 HB1 ALA 28 HB1 ALA 28 4.282 -4.946 2.045 248 HB2 ALA 28 HB2 ALA 28 3.899 -4.927 0.325 249 HB3 ALA 28 HB3 ALA 28 3.706 -3.462 1.289 250 H GLY 29 H GLY 29 5.752 -4.773 -1.567 251 HA2 GLY 29 HA2 GLY 29 5.188 -3.651 -3.566 252 HA3 GLY 29 HA3 GLY 29 5.346 -2.118 -2.722 253 H THR 30 H THR 30 6.707 -1.145 -4.159 254 HA THR 30 HA THR 30 9.424 -2.256 -4.301 255 HB THR 30 HB THR 30 9.528 -1.373 -6.680 256 HG1 THR 30 HG1 THR 30 7.026 -1.629 -7.382 257 HG21 THR 30 HG21 THR 30 8.440 -3.348 -7.655 258 HG22 THR 30 HG22 THR 30 7.623 -3.651 -6.121 259 HG23 THR 30 HG23 THR 30 9.381 -3.763 -6.221 260 HA PRO 31 HA PRO 31 10.865 1.898 -3.551 261 HB2 PRO 31 HB2 PRO 31 12.511 1.927 -5.998 262 HB3 PRO 31 HB3 PRO 31 13.008 2.027 -4.306 263 HG2 PRO 31 HG2 PRO 31 13.459 -0.176 -5.749 264 HG3 PRO 31 HG3 PRO 31 13.018 -0.270 -4.033 265 HD2 PRO 31 HD2 PRO 31 11.300 -0.689 -6.455 266 HD3 PRO 31 HD3 PRO 31 11.374 -1.632 -4.951 267 H GLN 32 H GLN 32 9.301 1.209 -6.530 268 HA GLN 32 HA GLN 32 9.107 4.043 -7.224 269 HB2 GLN 32 HB2 GLN 32 8.104 3.342 -9.303 270 HB3 GLN 32 HB3 GLN 32 9.551 2.386 -9.026 271 HG2 GLN 32 HG2 GLN 32 8.125 0.550 -8.186 272 HG3 GLN 32 HG3 GLN 32 6.706 1.506 -8.605 273 HE21 GLN 32 HE21 GLN 32 6.230 1.867 -10.790 274 HE22 GLN 32 HE22 GLN 32 6.904 0.882 -12.037 275 H ILE 33 H ILE 33 7.205 1.384 -5.988 276 HA ILE 33 HA ILE 33 5.208 3.317 -5.118 277 HB ILE 33 HB ILE 33 4.169 2.465 -7.104 278 HG12 ILE 33 HG12 ILE 33 2.984 1.051 -4.706 279 HG13 ILE 33 HG13 ILE 33 2.746 2.749 -5.101 280 HG21 ILE 33 HG21 ILE 33 5.465 0.451 -7.439 281 HG22 ILE 33 HG22 ILE 33 3.742 0.078 -7.474 282 HG23 ILE 33 HG23 ILE 33 4.699 -0.304 -6.043 283 HD11 ILE 33 HD11 ILE 33 0.834 1.425 -5.765 284 HD12 ILE 33 HD12 ILE 33 1.868 0.403 -6.766 285 HD13 ILE 33 HD13 ILE 33 1.640 2.103 -7.180 286 H THR 34 H THR 34 5.393 3.174 -2.998 287 HA THR 34 HA THR 34 6.060 0.570 -1.822 288 HB THR 34 HB THR 34 6.322 3.271 -0.496 289 HG1 THR 34 HG1 THR 34 7.943 1.979 -2.377 290 HG21 THR 34 HG21 THR 34 6.344 1.362 1.020 291 HG22 THR 34 HG22 THR 34 7.952 2.080 0.916 292 HG23 THR 34 HG23 THR 34 7.594 0.587 0.048 293 H ILE 35 H ILE 35 4.591 -0.464 -0.651 294 HA ILE 35 HA ILE 35 2.164 0.962 0.161 295 HB ILE 35 HB ILE 35 2.748 -2.012 0.096 296 HG12 ILE 35 HG12 ILE 35 0.815 -1.937 -1.600 297 HG13 ILE 35 HG13 ILE 35 1.101 -0.205 -1.672 298 HG21 ILE 35 HG21 ILE 35 0.364 -2.310 0.644 299 HG22 ILE 35 HG22 ILE 35 0.218 -0.565 0.871 300 HG23 ILE 35 HG23 ILE 35 1.261 -1.509 1.935 301 HD11 ILE 35 HD11 ILE 35 3.375 -0.607 -2.442 302 HD12 ILE 35 HD12 ILE 35 2.188 -1.377 -3.500 303 HD13 ILE 35 HD13 ILE 35 3.101 -2.348 -2.344 304 H LEU 36 H LEU 36 2.282 1.851 2.117 305 HA LEU 36 HA LEU 36 3.973 0.631 4.156 306 HB2 LEU 36 HB2 LEU 36 2.507 3.269 4.082 307 HB3 LEU 36 HB3 LEU 36 3.388 2.691 5.481 308 HG LEU 36 HG LEU 36 4.813 4.230 4.412 309 HD11 LEU 36 HD11 LEU 36 5.957 2.218 5.125 310 HD12 LEU 36 HD12 LEU 36 6.716 2.888 3.680 311 HD13 LEU 36 HD13 LEU 36 5.669 1.473 3.551 312 HD21 LEU 36 HD21 LEU 36 5.404 4.141 2.047 313 HD22 LEU 36 HD22 LEU 36 3.672 4.380 2.271 314 HD23 LEU 36 HD23 LEU 36 4.291 2.792 1.816 315 H GLY 37 H GLY 37 2.804 -1.165 4.707 316 HA2 GLY 37 HA2 GLY 37 0.133 -0.730 5.855 317 HA3 GLY 37 HA3 GLY 37 0.816 -2.289 5.409 318 H ARG 38 H ARG 38 -0.359 -1.840 7.896 319 HA ARG 38 HA ARG 38 1.736 -2.733 9.598 320 HB2 ARG 38 HB2 ARG 38 2.301 -0.409 9.823 321 HB3 ARG 38 HB3 ARG 38 0.618 0.036 10.063 322 HG2 ARG 38 HG2 ARG 38 0.590 -1.076 12.210 323 HG3 ARG 38 HG3 ARG 38 2.242 -1.647 11.963 324 HD2 ARG 38 HD2 ARG 38 3.094 0.583 12.027 325 HD3 ARG 38 HD3 ARG 38 1.468 1.262 12.011 326 HE ARG 38 HE ARG 38 1.178 0.321 14.253 327 HH11 ARG 38 HH11 ARG 38 4.452 0.554 13.038 328 HH12 ARG 38 HH12 ARG 38 5.159 0.729 14.621 329 HH21 ARG 38 HH21 ARG 38 2.120 0.535 16.346 330 HH22 ARG 38 HH22 ARG 38 3.844 0.717 16.476 331 H LEU 39 H LEU 39 0.833 -4.200 10.837 332 HA LEU 39 HA LEU 39 -1.900 -4.632 11.116 333 HB2 LEU 39 HB2 LEU 39 -1.350 -6.160 12.930 334 HB3 LEU 39 HB3 LEU 39 -0.245 -6.366 11.589 335 HG LEU 39 HG LEU 39 0.489 -4.730 14.014 336 HD11 LEU 39 HD11 LEU 39 1.003 -7.667 13.552 337 HD12 LEU 39 HD12 LEU 39 -0.115 -6.996 14.740 338 HD13 LEU 39 HD13 LEU 39 1.616 -6.695 14.892 339 HD21 LEU 39 HD21 LEU 39 1.865 -4.394 12.026 340 HD22 LEU 39 HD22 LEU 39 2.128 -6.133 11.901 341 HD23 LEU 39 HD23 LEU 39 2.774 -5.241 13.278 342 H ASN 40 H ASN 40 -3.427 -3.708 12.324 343 HA ASN 40 HA ASN 40 -2.748 -2.305 14.751 344 HB2 ASN 40 HB2 ASN 40 -3.554 -0.138 14.093 345 HB3 ASN 40 HB3 ASN 40 -2.334 -0.632 12.925 346 HD21 ASN 40 HD21 ASN 40 -2.951 -1.139 10.823 347 HD22 ASN 40 HD22 ASN 40 -4.500 -0.676 10.202 348 H SER 41 H SER 41 -4.620 -1.675 15.969 349 HA SER 41 HA SER 41 -6.822 -3.483 15.517 350 HB2 SER 41 HB2 SER 41 -6.342 -1.523 17.775 351 HB3 SER 41 HB3 SER 41 -7.557 -2.801 17.749 352 HG SER 41 HG SER 41 -5.938 -4.335 17.758 353 H LEU 42 H LEU 42 -7.957 -2.723 13.820 354 HA LEU 42 HA LEU 42 -9.928 -0.760 14.380 355 HB2 LEU 42 HB2 LEU 42 -8.078 0.736 13.674 356 HB3 LEU 42 HB3 LEU 42 -7.990 -0.121 12.147 357 HG LEU 42 HG LEU 42 -10.289 0.619 11.614 358 HD11 LEU 42 HD11 LEU 42 -11.334 2.366 12.977 359 HD12 LEU 42 HD12 LEU 42 -10.048 2.196 14.171 360 HD13 LEU 42 HD13 LEU 42 -11.152 0.855 13.870 361 HD21 LEU 42 HD21 LEU 42 -8.398 1.918 10.812 362 HD22 LEU 42 HD22 LEU 42 -8.373 2.841 12.311 363 HD23 LEU 42 HD23 LEU 42 -9.747 2.978 11.216 364 H GLY 43 H GLY 43 -8.236 -2.504 11.799 365 HA2 GLY 43 HA2 GLY 43 -9.016 -4.052 10.284 366 HA3 GLY 43 HA3 GLY 43 -10.498 -4.133 11.228 367 H HIS 44 H HIS 44 -8.940 -1.496 9.465 368 HA HIS 44 HA HIS 44 -11.486 -1.028 8.074 369 HB2 HIS 44 HB2 HIS 44 -10.819 0.799 9.527 370 HB3 HIS 44 HB3 HIS 44 -9.222 0.847 8.797 371 HD1 HIS 44 HD1 HIS 44 -8.898 2.477 6.995 372 HD2 HIS 44 HD2 HIS 44 -12.925 1.632 7.641 373 HE1 HIS 44 HE1 HIS 44 -10.182 4.087 5.536 374 HE2 HIS 44 HE2 HIS 44 -12.599 3.743 6.181 375 HA PRO 45 HA PRO 45 -8.620 -2.418 4.824 376 HB2 PRO 45 HB2 PRO 45 -10.345 -3.951 3.451 377 HB3 PRO 45 HB3 PRO 45 -9.583 -4.501 4.948 378 HG2 PRO 45 HG2 PRO 45 -12.355 -3.543 4.474 379 HG3 PRO 45 HG3 PRO 45 -11.762 -4.753 5.623 380 HD2 PRO 45 HD2 PRO 45 -12.400 -2.080 6.204 381 HD3 PRO 45 HD3 PRO 45 -11.503 -3.195 7.249 382 H ARG 46 H ARG 46 -8.657 -0.151 4.162 383 HA ARG 46 HA ARG 46 -10.036 0.054 1.586 384 HB2 ARG 46 HB2 ARG 46 -11.117 1.499 3.446 385 HB3 ARG 46 HB3 ARG 46 -9.667 2.489 3.323 386 HG2 ARG 46 HG2 ARG 46 -10.137 2.817 0.921 387 HG3 ARG 46 HG3 ARG 46 -11.633 1.904 1.116 388 HD2 ARG 46 HD2 ARG 46 -12.343 4.106 1.272 389 HD3 ARG 46 HD3 ARG 46 -12.177 3.625 2.960 390 HE ARG 46 HE ARG 46 -9.774 4.799 2.002 391 HH11 ARG 46 HH11 ARG 46 -13.023 5.625 3.056 392 HH12 ARG 46 HH12 ARG 46 -12.589 7.247 3.503 393 HH21 ARG 46 HH21 ARG 46 -9.227 6.924 2.562 394 HH22 ARG 46 HH22 ARG 46 -10.437 7.991 3.220 395 H ILE 47 H ILE 47 -8.694 0.609 -0.017 396 HA ILE 47 HA ILE 47 -5.917 0.704 0.485 397 HB ILE 47 HB ILE 47 -6.835 -0.245 -1.573 398 HG12 ILE 47 HG12 ILE 47 -5.012 2.125 -2.028 399 HG13 ILE 47 HG13 ILE 47 -4.521 0.493 -1.576 400 HG21 ILE 47 HG21 ILE 47 -7.665 1.188 -3.380 401 HG22 ILE 47 HG22 ILE 47 -7.577 2.585 -2.305 402 HG23 ILE 47 HG23 ILE 47 -8.694 1.266 -1.949 403 HD11 ILE 47 HD11 ILE 47 -4.120 0.906 -3.924 404 HD12 ILE 47 HD12 ILE 47 -5.825 1.292 -4.164 405 HD13 ILE 47 HD13 ILE 47 -5.347 -0.345 -3.711 406 H GLY 48 H GLY 48 -4.686 2.368 1.058 407 HA2 GLY 48 HA2 GLY 48 -5.826 5.074 0.803 408 HA3 GLY 48 HA3 GLY 48 -4.630 4.581 1.993 409 H LEU 49 H LEU 49 -4.829 4.307 -1.552 410 HA LEU 49 HA LEU 49 -2.069 4.978 -1.877 411 HB2 LEU 49 HB2 LEU 49 -3.104 3.541 -3.502 412 HB3 LEU 49 HB3 LEU 49 -4.346 4.734 -3.838 413 HG LEU 49 HG LEU 49 -2.502 6.244 -4.698 414 HD11 LEU 49 HD11 LEU 49 -0.614 5.128 -3.649 415 HD12 LEU 49 HD12 LEU 49 -0.429 5.168 -5.405 416 HD13 LEU 49 HD13 LEU 49 -0.928 3.676 -4.602 417 HD21 LEU 49 HD21 LEU 49 -4.025 5.064 -6.172 418 HD22 LEU 49 HD22 LEU 49 -2.991 3.636 -6.119 419 HD23 LEU 49 HD23 LEU 49 -2.402 5.124 -6.863 420 H THR 50 H THR 50 -1.293 6.949 -1.637 421 HA THR 50 HA THR 50 -2.958 9.224 -2.500 422 HB THR 50 HB THR 50 -0.923 9.212 -0.260 423 HG1 THR 50 HG1 THR 50 -2.977 8.116 0.149 424 HG21 THR 50 HG21 THR 50 -1.754 11.463 0.222 425 HG22 THR 50 HG22 THR 50 -2.844 11.369 -1.163 426 HG23 THR 50 HG23 THR 50 -1.097 11.381 -1.414 427 H VAL 51 H VAL 51 -2.169 10.108 -4.287 428 HA VAL 51 HA VAL 51 0.668 9.889 -4.922 429 HB VAL 51 HB VAL 51 -1.576 11.084 -6.565 430 HG11 VAL 51 HG11 VAL 51 1.248 10.336 -7.331 431 HG12 VAL 51 HG12 VAL 51 0.600 11.973 -7.188 432 HG13 VAL 51 HG13 VAL 51 -0.009 10.891 -8.441 433 HG21 VAL 51 HG21 VAL 51 -1.903 8.691 -6.174 434 HG22 VAL 51 HG22 VAL 51 -0.274 8.368 -6.772 435 HG23 VAL 51 HG23 VAL 51 -1.501 9.022 -7.858 436 H ALA 52 H ALA 52 2.068 11.491 -4.647 437 HA ALA 52 HA ALA 52 1.071 14.068 -3.670 438 HB1 ALA 52 HB1 ALA 52 3.316 14.415 -2.795 439 HB2 ALA 52 HB2 ALA 52 3.855 12.914 -3.544 440 HB3 ALA 52 HB3 ALA 52 2.670 12.871 -2.240 441 H LYS 53 H LYS 53 1.877 16.039 -4.501 442 HA LYS 53 HA LYS 53 2.493 15.943 -7.315 443 HB2 LYS 53 HB2 LYS 53 1.941 18.197 -5.401 444 HB3 LYS 53 HB3 LYS 53 2.597 18.517 -6.999 445 HG2 LYS 53 HG2 LYS 53 0.272 18.803 -7.183 446 HG3 LYS 53 HG3 LYS 53 0.619 17.243 -7.927 447 HD2 LYS 53 HD2 LYS 53 -1.356 17.052 -6.554 448 HD3 LYS 53 HD3 LYS 53 -0.043 16.137 -5.813 449 HE2 LYS 53 HE2 LYS 53 0.361 17.912 -4.229 450 HE3 LYS 53 HE3 LYS 53 -0.836 18.935 -5.023 451 HZ1 LYS 53 HZ1 LYS 53 -1.702 17.887 -3.016 452 HZ2 LYS 53 HZ2 LYS 53 -1.413 16.352 -3.674 453 HZ3 LYS 53 HZ3 LYS 53 -2.554 17.382 -4.393 454 H LYS 54 H LYS 54 4.498 14.754 -6.808 455 HA LYS 54 HA LYS 54 6.669 16.619 -7.188 456 HB2 LYS 54 HB2 LYS 54 8.133 15.401 -5.521 457 HB3 LYS 54 HB3 LYS 54 6.901 16.442 -4.831 458 HG2 LYS 54 HG2 LYS 54 5.506 14.514 -4.352 459 HG3 LYS 54 HG3 LYS 54 6.701 13.449 -5.095 460 HD2 LYS 54 HD2 LYS 54 6.832 13.514 -2.611 461 HD3 LYS 54 HD3 LYS 54 8.325 14.008 -3.411 462 HE2 LYS 54 HE2 LYS 54 7.727 16.357 -3.076 463 HE3 LYS 54 HE3 LYS 54 6.233 15.865 -2.278 464 HZ1 LYS 54 HZ1 LYS 54 8.150 16.474 -0.789 465 HZ2 LYS 54 HZ2 LYS 54 8.907 15.043 -1.301 466 HZ3 LYS 54 HZ3 LYS 54 7.424 14.972 -0.480 467 H ASN 55 H ASN 55 5.027 14.378 -8.395 468 HA ASN 55 HA ASN 55 7.218 13.237 -9.876 469 HB2 ASN 55 HB2 ASN 55 6.147 10.898 -9.664 470 HB3 ASN 55 HB3 ASN 55 7.147 11.470 -8.338 471 HD21 ASN 55 HD21 ASN 55 6.221 11.882 -6.367 472 HD22 ASN 55 HD22 ASN 55 4.602 11.428 -5.977 473 H VAL 56 H VAL 56 3.749 12.570 -9.424 474 HA VAL 56 HA VAL 56 3.345 13.182 -12.271 475 HB VAL 56 HB VAL 56 1.406 11.862 -10.361 476 HG11 VAL 56 HG11 VAL 56 0.326 12.911 -12.258 477 HG12 VAL 56 HG12 VAL 56 0.265 11.158 -12.427 478 HG13 VAL 56 HG13 VAL 56 1.424 12.094 -13.369 479 HG21 VAL 56 HG21 VAL 56 2.011 9.744 -11.478 480 HG22 VAL 56 HG22 VAL 56 3.358 10.445 -10.582 481 HG23 VAL 56 HG23 VAL 56 3.297 10.590 -12.338 482 H ARG 57 H ARG 57 2.681 15.196 -12.682 483 HA ARG 57 HA ARG 57 1.072 16.576 -10.641 484 HB2 ARG 57 HB2 ARG 57 2.723 17.704 -12.910 485 HB3 ARG 57 HB3 ARG 57 1.657 18.668 -11.903 486 HG2 ARG 57 HG2 ARG 57 3.772 19.015 -11.010 487 HG3 ARG 57 HG3 ARG 57 3.039 17.827 -9.934 488 HD2 ARG 57 HD2 ARG 57 4.278 16.050 -10.933 489 HD3 ARG 57 HD3 ARG 57 4.851 17.104 -12.226 490 HE ARG 57 HE ARG 57 5.631 18.124 -9.698 491 HH11 ARG 57 HH11 ARG 57 6.374 15.509 -11.923 492 HH12 ARG 57 HH12 ARG 57 8.050 15.434 -11.459 493 HH21 ARG 57 HH21 ARG 57 7.828 18.006 -9.093 494 HH22 ARG 57 HH22 ARG 57 8.862 16.829 -9.852 495 H ARG 58 H ARG 58 1.392 16.700 -14.186 496 HA ARG 58 HA ARG 58 -1.535 16.560 -14.359 497 HB2 ARG 58 HB2 ARG 58 0.238 18.591 -15.727 498 HB3 ARG 58 HB3 ARG 58 -1.446 18.315 -16.156 499 HG2 ARG 58 HG2 ARG 58 -0.441 19.220 -13.462 500 HG3 ARG 58 HG3 ARG 58 -1.198 20.245 -14.686 501 HD2 ARG 58 HD2 ARG 58 -3.283 19.306 -14.373 502 HD3 ARG 58 HD3 ARG 58 -2.626 17.810 -13.719 503 HE ARG 58 HE ARG 58 -2.135 20.093 -12.042 504 HH11 ARG 58 HH11 ARG 58 -4.442 17.602 -12.881 505 HH12 ARG 58 HH12 ARG 58 -5.237 17.631 -11.338 506 HH21 ARG 58 HH21 ARG 58 -3.149 20.123 -10.004 507 HH22 ARG 58 HH22 ARG 58 -4.490 19.057 -9.685 508 H ALA 59 H ALA 59 -1.660 14.588 -15.172 509 HA ALA 59 HA ALA 59 -1.146 14.184 -17.935 510 HB1 ALA 59 HB1 ALA 59 1.128 13.755 -17.033 511 HB2 ALA 59 HB2 ALA 59 0.406 12.332 -17.782 512 HB3 ALA 59 HB3 ALA 59 0.453 12.473 -16.025 513 H HIS 60 H HIS 60 -1.953 11.988 -18.594 514 HA HIS 60 HA HIS 60 -4.379 11.431 -17.176 515 HB2 HIS 60 HB2 HIS 60 -3.077 9.929 -19.458 516 HB3 HIS 60 HB3 HIS 60 -4.723 9.684 -18.883 517 HD1 HIS 60 HD1 HIS 60 -2.659 11.854 -21.042 518 HD2 HIS 60 HD2 HIS 60 -6.505 11.843 -19.469 519 HE1 HIS 60 HE1 HIS 60 -3.923 13.606 -22.332 520 HE2 HIS 60 HE2 HIS 60 -6.294 13.453 -21.480 521 H GLU 61 H GLU 61 -1.211 10.401 -16.871 522 HA GLU 61 HA GLU 61 -1.683 7.785 -15.847 523 HB2 GLU 61 HB2 GLU 61 0.696 9.623 -15.871 524 HB3 GLU 61 HB3 GLU 61 0.731 8.093 -15.006 525 HG2 GLU 61 HG2 GLU 61 1.731 7.960 -17.249 526 HG3 GLU 61 HG3 GLU 61 0.365 6.868 -17.041 527 H ARG 62 H ARG 62 -2.340 10.787 -14.623 528 HA ARG 62 HA ARG 62 -1.625 10.534 -11.897 529 HB2 ARG 62 HB2 ARG 62 -2.610 12.553 -13.361 530 HB3 ARG 62 HB3 ARG 62 -4.120 11.986 -12.665 531 HG2 ARG 62 HG2 ARG 62 -1.696 12.837 -11.089 532 HG3 ARG 62 HG3 ARG 62 -3.116 13.832 -11.398 533 HD2 ARG 62 HD2 ARG 62 -3.070 11.228 -9.878 534 HD3 ARG 62 HD3 ARG 62 -3.186 12.837 -9.170 535 HE ARG 62 HE ARG 62 -5.276 12.445 -11.030 536 HH11 ARG 62 HH11 ARG 62 -4.238 11.495 -7.840 537 HH12 ARG 62 HH12 ARG 62 -5.840 11.158 -7.258 538 HH21 ARG 62 HH21 ARG 62 -7.404 12.019 -10.301 539 HH22 ARG 62 HH22 ARG 62 -7.658 11.484 -8.662 540 H ASN 63 H ASN 63 -4.572 9.707 -13.703 541 HA ASN 63 HA ASN 63 -5.759 8.497 -11.343 542 HB2 ASN 63 HB2 ASN 63 -7.722 8.084 -12.744 543 HB3 ASN 63 HB3 ASN 63 -7.213 9.762 -12.881 544 HD21 ASN 63 HD21 ASN 63 -6.517 10.537 -14.837 545 HD22 ASN 63 HD22 ASN 63 -6.580 9.615 -16.296 546 H ARG 64 H ARG 64 -3.743 7.608 -13.884 547 HA ARG 64 HA ARG 64 -4.454 4.984 -14.472 548 HB2 ARG 64 HB2 ARG 64 -2.690 6.321 -15.616 549 HB3 ARG 64 HB3 ARG 64 -1.653 6.091 -14.217 550 HG2 ARG 64 HG2 ARG 64 -0.874 4.455 -15.604 551 HG3 ARG 64 HG3 ARG 64 -2.097 3.552 -14.705 552 HD2 ARG 64 HD2 ARG 64 -2.268 3.104 -17.091 553 HD3 ARG 64 HD3 ARG 64 -3.705 3.944 -16.504 554 HE ARG 64 HE ARG 64 -1.689 5.710 -17.546 555 HH11 ARG 64 HH11 ARG 64 -4.425 3.689 -18.373 556 HH12 ARG 64 HH12 ARG 64 -4.784 4.567 -19.829 557 HH21 ARG 64 HH21 ARG 64 -2.151 6.873 -19.439 558 HH22 ARG 64 HH22 ARG 64 -3.485 6.369 -20.452 559 H ILE 65 H ILE 65 -2.324 6.237 -11.938 560 HA ILE 65 HA ILE 65 -1.476 3.753 -10.939 561 HB ILE 65 HB ILE 65 -1.675 6.338 -9.385 562 HG12 ILE 65 HG12 ILE 65 -0.484 6.713 -11.495 563 HG13 ILE 65 HG13 ILE 65 0.632 6.774 -10.137 564 HG21 ILE 65 HG21 ILE 65 -1.211 4.336 -8.039 565 HG22 ILE 65 HG22 ILE 65 0.160 5.443 -8.069 566 HG23 ILE 65 HG23 ILE 65 0.185 3.984 -9.059 567 HD11 ILE 65 HD11 ILE 65 1.585 5.588 -12.031 568 HD12 ILE 65 HD12 ILE 65 0.252 4.435 -11.991 569 HD13 ILE 65 HD13 ILE 65 1.386 4.519 -10.645 570 H LYS 66 H LYS 66 -4.187 5.856 -9.995 571 HA LYS 66 HA LYS 66 -4.835 4.112 -7.793 572 HB2 LYS 66 HB2 LYS 66 -6.622 5.635 -7.263 573 HB3 LYS 66 HB3 LYS 66 -5.151 6.538 -7.575 574 HG2 LYS 66 HG2 LYS 66 -5.977 7.115 -9.801 575 HG3 LYS 66 HG3 LYS 66 -7.461 6.212 -9.477 576 HD2 LYS 66 HD2 LYS 66 -6.464 8.610 -7.932 577 HD3 LYS 66 HD3 LYS 66 -7.795 8.604 -9.090 578 HE2 LYS 66 HE2 LYS 66 -9.109 7.186 -7.680 579 HE3 LYS 66 HE3 LYS 66 -7.745 6.905 -6.600 580 HZ1 LYS 66 HZ1 LYS 66 -7.821 9.172 -5.887 581 HZ2 LYS 66 HZ2 LYS 66 -9.381 8.528 -5.739 582 HZ3 LYS 66 HZ3 LYS 66 -9.008 9.559 -7.032 583 H ARG 67 H ARG 67 -5.638 4.267 -11.104 584 HA ARG 67 HA ARG 67 -8.091 2.802 -10.946 585 HB2 ARG 67 HB2 ARG 67 -6.173 3.549 -13.090 586 HB3 ARG 67 HB3 ARG 67 -7.168 2.132 -13.386 587 HG2 ARG 67 HG2 ARG 67 -9.182 3.494 -13.015 588 HG3 ARG 67 HG3 ARG 67 -8.152 4.912 -12.782 589 HD2 ARG 67 HD2 ARG 67 -7.369 4.829 -15.014 590 HD3 ARG 67 HD3 ARG 67 -8.040 3.218 -15.265 591 HE ARG 67 HE ARG 67 -10.202 4.819 -14.694 592 HH11 ARG 67 HH11 ARG 67 -7.659 4.824 -17.097 593 HH12 ARG 67 HH12 ARG 67 -8.644 5.523 -18.342 594 HH21 ARG 67 HH21 ARG 67 -11.507 5.743 -16.309 595 HH22 ARG 67 HH22 ARG 67 -10.848 6.055 -17.892 596 H LEU 68 H LEU 68 -4.753 1.908 -11.734 597 HA LEU 68 HA LEU 68 -5.137 -0.827 -12.103 598 HB2 LEU 68 HB2 LEU 68 -3.095 0.740 -12.547 599 HB3 LEU 68 HB3 LEU 68 -2.616 0.300 -10.923 600 HG LEU 68 HG LEU 68 -1.475 -1.019 -12.682 601 HD11 LEU 68 HD11 LEU 68 -1.741 -1.967 -10.444 602 HD12 LEU 68 HD12 LEU 68 -1.785 -3.213 -11.687 603 HD13 LEU 68 HD13 LEU 68 -3.280 -2.676 -10.928 604 HD21 LEU 68 HD21 LEU 68 -2.749 -2.743 -13.892 605 HD22 LEU 68 HD22 LEU 68 -3.237 -1.107 -14.332 606 HD23 LEU 68 HD23 LEU 68 -4.245 -2.065 -13.248 607 H THR 69 H THR 69 -4.235 0.963 -9.183 608 HA THR 69 HA THR 69 -3.897 -1.349 -7.563 609 HB THR 69 HB THR 69 -3.920 0.339 -5.675 610 HG1 THR 69 HG1 THR 69 -3.719 2.354 -7.623 611 HG21 THR 69 HG21 THR 69 -1.768 1.337 -6.340 612 HG22 THR 69 HG22 THR 69 -2.048 0.809 -8.001 613 HG23 THR 69 HG23 THR 69 -1.843 -0.383 -6.716 614 H ARG 70 H ARG 70 -6.578 0.866 -8.119 615 HA ARG 70 HA ARG 70 -8.166 0.068 -5.917 616 HB2 ARG 70 HB2 ARG 70 -8.508 2.164 -7.195 617 HB3 ARG 70 HB3 ARG 70 -9.049 1.215 -8.571 618 HG2 ARG 70 HG2 ARG 70 -10.847 0.299 -6.998 619 HG3 ARG 70 HG3 ARG 70 -10.408 1.642 -5.938 620 HD2 ARG 70 HD2 ARG 70 -12.254 2.332 -7.304 621 HD3 ARG 70 HD3 ARG 70 -10.811 3.194 -7.837 622 HE ARG 70 HE ARG 70 -11.634 0.755 -9.253 623 HH11 ARG 70 HH11 ARG 70 -11.138 4.218 -9.252 624 HH12 ARG 70 HH12 ARG 70 -11.315 4.369 -10.967 625 HH21 ARG 70 HH21 ARG 70 -11.852 0.939 -11.512 626 HH22 ARG 70 HH22 ARG 70 -11.722 2.501 -12.262 627 H GLU 71 H GLU 71 -8.078 -0.946 -9.304 628 HA GLU 71 HA GLU 71 -10.396 -2.582 -9.093 629 HB2 GLU 71 HB2 GLU 71 -9.519 -1.478 -11.181 630 HB3 GLU 71 HB3 GLU 71 -8.260 -2.704 -11.220 631 HG2 GLU 71 HG2 GLU 71 -9.791 -4.422 -11.646 632 HG3 GLU 71 HG3 GLU 71 -11.167 -3.426 -11.169 633 H SER 72 H SER 72 -6.955 -3.161 -8.732 634 HA SER 72 HA SER 72 -7.218 -6.018 -8.732 635 HB2 SER 72 HB2 SER 72 -4.832 -5.875 -7.795 636 HB3 SER 72 HB3 SER 72 -5.097 -5.221 -9.410 637 HG SER 72 HG SER 72 -4.737 -3.256 -8.696 638 H PHE 73 H PHE 73 -6.972 -3.488 -6.270 639 HA PHE 73 HA PHE 73 -6.871 -5.128 -3.996 640 HB2 PHE 73 HB2 PHE 73 -6.453 -2.681 -3.997 641 HB3 PHE 73 HB3 PHE 73 -8.171 -2.406 -4.262 642 HD1 PHE 73 HD1 PHE 73 -5.762 -3.913 -1.870 643 HD2 PHE 73 HD2 PHE 73 -9.639 -2.254 -2.458 644 HE1 PHE 73 HE1 PHE 73 -6.133 -3.923 0.563 645 HE2 PHE 73 HE2 PHE 73 -10.012 -2.262 -0.026 646 HZ PHE 73 HZ PHE 73 -8.259 -3.096 1.486 647 H ARG 74 H ARG 74 -9.564 -3.933 -5.908 648 HA ARG 74 HA ARG 74 -11.649 -4.750 -4.176 649 HB2 ARG 74 HB2 ARG 74 -11.926 -3.033 -5.912 650 HB3 ARG 74 HB3 ARG 74 -11.686 -4.245 -7.159 651 HG2 ARG 74 HG2 ARG 74 -13.729 -5.390 -6.424 652 HG3 ARG 74 HG3 ARG 74 -13.972 -4.142 -5.202 653 HD2 ARG 74 HD2 ARG 74 -14.192 -2.451 -6.919 654 HD3 ARG 74 HD3 ARG 74 -13.829 -3.637 -8.172 655 HE ARG 74 HE ARG 74 -15.986 -4.714 -6.979 656 HH11 ARG 74 HH11 ARG 74 -15.348 -1.490 -8.166 657 HH12 ARG 74 HH12 ARG 74 -16.996 -1.176 -8.607 658 HH21 ARG 74 HH21 ARG 74 -18.177 -4.308 -7.527 659 HH22 ARG 74 HH22 ARG 74 -18.609 -2.781 -8.240 660 H LEU 75 H LEU 75 -9.574 -6.568 -6.149 661 HA LEU 75 HA LEU 75 -11.536 -8.759 -6.281 662 HB2 LEU 75 HB2 LEU 75 -10.575 -7.999 -8.445 663 HB3 LEU 75 HB3 LEU 75 -8.981 -8.445 -7.863 664 HG LEU 75 HG LEU 75 -9.696 -10.800 -7.719 665 HD11 LEU 75 HD11 LEU 75 -12.085 -10.402 -7.317 666 HD12 LEU 75 HD12 LEU 75 -11.819 -11.509 -8.664 667 HD13 LEU 75 HD13 LEU 75 -12.262 -9.830 -8.975 668 HD21 LEU 75 HD21 LEU 75 -9.788 -11.234 -10.115 669 HD22 LEU 75 HD22 LEU 75 -8.619 -9.962 -9.754 670 HD23 LEU 75 HD23 LEU 75 -10.200 -9.546 -10.418 671 H ARG 76 H ARG 76 -8.942 -7.695 -4.488 672 HA ARG 76 HA ARG 76 -8.168 -10.455 -3.780 673 HB2 ARG 76 HB2 ARG 76 -6.414 -8.009 -3.985 674 HB3 ARG 76 HB3 ARG 76 -5.910 -9.495 -3.202 675 HG2 ARG 76 HG2 ARG 76 -6.709 -9.257 -6.094 676 HG3 ARG 76 HG3 ARG 76 -5.051 -9.262 -5.494 677 HD2 ARG 76 HD2 ARG 76 -5.237 -11.469 -5.990 678 HD3 ARG 76 HD3 ARG 76 -5.896 -11.517 -4.356 679 HE ARG 76 HE ARG 76 -8.079 -11.083 -5.913 680 HH11 ARG 76 HH11 ARG 76 -5.624 -13.564 -5.692 681 HH12 ARG 76 HH12 ARG 76 -6.543 -14.740 -6.591 682 HH21 ARG 76 HH21 ARG 76 -9.318 -12.631 -7.041 683 HH22 ARG 76 HH22 ARG 76 -8.660 -14.205 -7.358 684 H GLN 77 H GLN 77 -10.081 -8.328 -2.551 685 HA GLN 77 HA GLN 77 -8.810 -7.460 -0.162 686 HB2 GLN 77 HB2 GLN 77 -10.960 -6.695 0.584 687 HB3 GLN 77 HB3 GLN 77 -10.771 -6.301 -1.117 688 HG2 GLN 77 HG2 GLN 77 -12.145 -8.839 -0.454 689 HG3 GLN 77 HG3 GLN 77 -12.998 -7.336 -0.110 690 HE21 GLN 77 HE21 GLN 77 -11.803 -9.458 -2.572 691 HE22 GLN 77 HE22 GLN 77 -12.535 -8.635 -3.910 692 H HIS 78 H HIS 78 -10.249 -10.454 -1.033 693 HA HIS 78 HA HIS 78 -10.587 -11.233 1.766 694 HB2 HIS 78 HB2 HIS 78 -12.250 -11.873 -0.052 695 HB3 HIS 78 HB3 HIS 78 -11.016 -12.966 -0.669 696 HD1 HIS 78 HD1 HIS 78 -13.437 -12.519 2.127 697 HD2 HIS 78 HD2 HIS 78 -10.580 -15.275 0.889 698 HE1 HIS 78 HE1 HIS 78 -13.821 -14.579 3.528 699 HE2 HIS 78 HE2 HIS 78 -12.207 -16.289 2.625 700 H GLU 79 H GLU 79 -8.204 -11.142 -0.542 701 HA GLU 79 HA GLU 79 -6.871 -13.616 0.225 702 HB2 GLU 79 HB2 GLU 79 -6.988 -12.691 -2.149 703 HB3 GLU 79 HB3 GLU 79 -5.854 -11.456 -1.625 704 HG2 GLU 79 HG2 GLU 79 -4.254 -13.252 -1.022 705 HG3 GLU 79 HG3 GLU 79 -5.385 -14.427 -1.699 706 H LEU 80 H LEU 80 -7.248 -10.732 1.594 707 HA LEU 80 HA LEU 80 -4.747 -10.919 3.070 708 HB2 LEU 80 HB2 LEU 80 -4.516 -8.411 2.988 709 HB3 LEU 80 HB3 LEU 80 -4.125 -9.257 1.506 710 HG LEU 80 HG LEU 80 -6.544 -8.657 0.784 711 HD11 LEU 80 HD11 LEU 80 -7.418 -6.599 1.750 712 HD12 LEU 80 HD12 LEU 80 -6.120 -6.599 2.944 713 HD13 LEU 80 HD13 LEU 80 -7.331 -7.881 2.959 714 HD21 LEU 80 HD21 LEU 80 -5.779 -6.504 -0.083 715 HD22 LEU 80 HD22 LEU 80 -4.539 -7.749 -0.242 716 HD23 LEU 80 HD23 LEU 80 -4.417 -6.539 1.036 717 HA PRO 81 HA PRO 81 -7.440 -10.032 6.505 718 HB2 PRO 81 HB2 PRO 81 -5.283 -8.572 7.842 719 HB3 PRO 81 HB3 PRO 81 -6.022 -10.114 8.276 720 HG2 PRO 81 HG2 PRO 81 -3.495 -9.940 7.335 721 HG3 PRO 81 HG3 PRO 81 -4.540 -11.336 7.014 722 HD2 PRO 81 HD2 PRO 81 -3.883 -9.014 5.238 723 HD3 PRO 81 HD3 PRO 81 -4.001 -10.740 4.835 724 H ALA 82 H ALA 82 -8.708 -8.375 7.327 725 HA ALA 82 HA ALA 82 -8.899 -5.977 5.872 726 HB1 ALA 82 HB1 ALA 82 -10.051 -6.620 8.585 727 HB2 ALA 82 HB2 ALA 82 -10.798 -7.012 7.035 728 HB3 ALA 82 HB3 ALA 82 -10.581 -5.324 7.509 729 H MET 83 H MET 83 -7.246 -4.566 5.885 730 HA MET 83 HA MET 83 -6.421 -3.390 8.415 731 HB2 MET 83 HB2 MET 83 -4.912 -5.322 8.031 732 HB3 MET 83 HB3 MET 83 -4.451 -4.631 6.483 733 HG2 MET 83 HG2 MET 83 -3.571 -2.652 7.691 734 HG3 MET 83 HG3 MET 83 -3.926 -3.475 9.209 735 HE1 MET 83 HE1 MET 83 -1.574 -6.635 8.916 736 HE2 MET 83 HE2 MET 83 -3.207 -6.541 8.256 737 HE3 MET 83 HE3 MET 83 -2.857 -5.861 9.845 738 H ASP 84 H ASP 84 -5.465 -1.334 8.174 739 HA ASP 84 HA ASP 84 -6.064 0.076 5.755 740 HB2 ASP 84 HB2 ASP 84 -4.557 0.935 8.235 741 HB3 ASP 84 HB3 ASP 84 -4.975 2.007 6.904 742 H PHE 85 H PHE 85 -4.824 0.120 4.018 743 HA PHE 85 HA PHE 85 -1.920 -0.214 4.354 744 HB2 PHE 85 HB2 PHE 85 -3.684 -1.031 2.037 745 HB3 PHE 85 HB3 PHE 85 -1.925 -1.055 1.985 746 HD1 PHE 85 HD2 PHE 85 -0.720 -2.508 3.695 747 HD2 PHE 85 HD1 PHE 85 -4.873 -2.859 2.843 748 HE1 PHE 85 HE2 PHE 85 -0.716 -4.777 4.646 749 HE2 PHE 85 HE1 PHE 85 -4.882 -5.129 3.795 750 HZ PHE 85 HZ PHE 85 -2.801 -6.091 4.700 751 H VAL 86 H VAL 86 -1.073 1.753 4.298 752 HA VAL 86 HA VAL 86 -2.196 3.811 2.580 753 HB VAL 86 HB VAL 86 0.168 3.956 4.462 754 HG11 VAL 86 HG11 VAL 86 -1.436 6.158 3.166 755 HG12 VAL 86 HG12 VAL 86 0.196 5.673 2.712 756 HG13 VAL 86 HG13 VAL 86 -0.105 6.371 4.303 757 HG21 VAL 86 HG21 VAL 86 -1.353 5.037 6.025 758 HG22 VAL 86 HG22 VAL 86 -1.919 3.416 5.629 759 HG23 VAL 86 HG23 VAL 86 -2.689 4.823 4.896 760 H VAL 87 H VAL 87 -1.638 3.658 0.505 761 HA VAL 87 HA VAL 87 1.011 2.641 -0.191 762 HB VAL 87 HB VAL 87 -1.244 3.276 -2.095 763 HG11 VAL 87 HG11 VAL 87 -0.081 1.735 -3.578 764 HG12 VAL 87 HG12 VAL 87 1.156 1.470 -2.350 765 HG13 VAL 87 HG13 VAL 87 0.978 3.061 -3.089 766 HG21 VAL 87 HG21 VAL 87 -0.645 0.634 -0.766 767 HG22 VAL 87 HG22 VAL 87 -1.839 0.911 -2.032 768 HG23 VAL 87 HG23 VAL 87 -2.045 1.657 -0.448 769 H VAL 88 H VAL 88 2.566 4.081 -0.453 770 HA VAL 88 HA VAL 88 1.846 6.798 -1.306 771 HB VAL 88 HB VAL 88 4.377 5.843 0.052 772 HG11 VAL 88 HG11 VAL 88 4.919 8.219 0.273 773 HG12 VAL 88 HG12 VAL 88 3.472 8.638 -0.649 774 HG13 VAL 88 HG13 VAL 88 4.786 7.747 -1.421 775 HG21 VAL 88 HG21 VAL 88 3.556 7.087 1.994 776 HG22 VAL 88 HG22 VAL 88 2.448 5.791 1.545 777 HG23 VAL 88 HG23 VAL 88 2.067 7.461 1.125 778 H ALA 89 H ALA 89 2.141 7.195 -3.371 779 HA ALA 89 HA ALA 89 3.759 5.545 -5.052 780 HB1 ALA 89 HB1 ALA 89 3.083 7.057 -6.843 781 HB2 ALA 89 HB2 ALA 89 2.401 8.170 -5.657 782 HB3 ALA 89 HB3 ALA 89 1.695 6.568 -5.873 783 H LYS 90 H LYS 90 5.781 5.873 -5.781 784 HA LYS 90 HA LYS 90 7.198 8.242 -4.776 785 HB2 LYS 90 HB2 LYS 90 8.365 5.664 -5.846 786 HB3 LYS 90 HB3 LYS 90 9.250 6.971 -5.077 787 HG2 LYS 90 HG2 LYS 90 7.180 5.248 -3.726 788 HG3 LYS 90 HG3 LYS 90 8.927 5.041 -3.596 789 HD2 LYS 90 HD2 LYS 90 9.080 7.322 -2.637 790 HD3 LYS 90 HD3 LYS 90 7.318 7.428 -2.687 791 HE2 LYS 90 HE2 LYS 90 8.016 6.805 -0.465 792 HE3 LYS 90 HE3 LYS 90 7.189 5.446 -1.221 793 HZ1 LYS 90 HZ1 LYS 90 9.192 4.749 -0.050 794 HZ2 LYS 90 HZ2 LYS 90 10.138 5.768 -1.009 795 HZ3 LYS 90 HZ3 LYS 90 9.332 4.450 -1.707 796 H LYS 91 H LYS 91 9.068 8.901 -6.316 797 HA LYS 91 HA LYS 91 7.810 9.667 -8.765 798 HB2 LYS 91 HB2 LYS 91 10.053 10.782 -9.208 799 HB3 LYS 91 HB3 LYS 91 9.160 11.332 -7.797 800 HG2 LYS 91 HG2 LYS 91 10.593 9.793 -6.419 801 HG3 LYS 91 HG3 LYS 91 11.573 9.539 -7.867 802 HD2 LYS 91 HD2 LYS 91 11.015 12.226 -6.611 803 HD3 LYS 91 HD3 LYS 91 12.487 11.287 -6.366 804 HE2 LYS 91 HE2 LYS 91 11.501 12.241 -9.051 805 HE3 LYS 91 HE3 LYS 91 12.698 13.087 -8.072 806 HZ1 LYS 91 HZ1 LYS 91 12.966 10.340 -9.169 807 HZ2 LYS 91 HZ2 LYS 91 14.113 11.122 -8.198 808 HZ3 LYS 91 HZ3 LYS 91 13.758 11.724 -9.743 809 H GLY 92 H GLY 92 7.659 8.428 -10.451 810 HA2 GLY 92 HA2 GLY 92 9.063 7.496 -12.301 811 HA3 GLY 92 HA3 GLY 92 9.854 6.546 -11.053 812 H VAL 93 H VAL 93 6.824 6.575 -9.983 813 HA VAL 93 HA VAL 93 6.360 3.883 -10.748 814 HB VAL 93 HB VAL 93 5.622 4.784 -8.581 815 HG11 VAL 93 HG11 VAL 93 3.579 6.306 -10.195 816 HG12 VAL 93 HG12 VAL 93 4.898 6.994 -9.249 817 HG13 VAL 93 HG13 VAL 93 3.580 6.149 -8.438 818 HG21 VAL 93 HG21 VAL 93 3.409 3.719 -8.521 819 HG22 VAL 93 HG22 VAL 93 4.589 2.755 -9.408 820 HG23 VAL 93 HG23 VAL 93 3.384 3.698 -10.285 821 H ALA 94 H ALA 94 5.064 6.938 -11.922 822 HA ALA 94 HA ALA 94 3.139 5.560 -13.612 823 HB1 ALA 94 HB1 ALA 94 2.473 7.618 -12.470 824 HB2 ALA 94 HB2 ALA 94 2.376 7.790 -14.223 825 HB3 ALA 94 HB3 ALA 94 3.724 8.507 -13.340 826 H ASP 95 H ASP 95 6.264 5.769 -13.860 827 HA ASP 95 HA ASP 95 6.229 6.359 -16.738 828 HB2 ASP 95 HB2 ASP 95 7.451 8.103 -15.482 829 HB3 ASP 95 HB3 ASP 95 8.509 6.866 -14.814 830 H LEU 96 H LEU 96 5.681 4.053 -16.803 831 HA LEU 96 HA LEU 96 8.143 2.483 -16.941 832 HB2 LEU 96 HB2 LEU 96 6.687 0.482 -16.205 833 HB3 LEU 96 HB3 LEU 96 7.310 1.575 -14.987 834 HG LEU 96 HG LEU 96 5.067 2.719 -14.990 835 HD11 LEU 96 HD11 LEU 96 3.154 1.472 -15.874 836 HD12 LEU 96 HD12 LEU 96 4.262 0.319 -16.620 837 HD13 LEU 96 HD13 LEU 96 4.249 2.000 -17.154 838 HD21 LEU 96 HD21 LEU 96 5.663 1.178 -13.238 839 HD22 LEU 96 HD22 LEU 96 5.186 -0.194 -14.237 840 HD23 LEU 96 HD23 LEU 96 3.968 0.949 -13.669 841 H ASP 97 H ASP 97 7.658 0.350 -18.185 842 HA ASP 97 HA ASP 97 6.615 1.153 -20.745 843 HB2 ASP 97 HB2 ASP 97 7.785 -1.470 -19.793 844 HB3 ASP 97 HB3 ASP 97 7.339 -1.125 -21.461 845 H ASN 98 H ASN 98 5.177 -0.310 -21.990 846 HA ASN 98 HA ASN 98 2.687 -0.691 -20.769 847 HB2 ASN 98 HB2 ASN 98 3.248 -0.505 -23.258 848 HB3 ASN 98 HB3 ASN 98 3.664 -2.209 -23.193 849 HD21 ASN 98 HD21 ASN 98 1.455 -2.737 -21.232 850 HD22 ASN 98 HD22 ASN 98 0.014 -2.720 -22.193 851 H ARG 99 H ARG 99 5.246 -3.032 -21.551 852 HA ARG 99 HA ARG 99 3.953 -5.322 -20.555 853 HB2 ARG 99 HB2 ARG 99 6.263 -6.290 -20.416 854 HB3 ARG 99 HB3 ARG 99 5.849 -5.601 -21.980 855 HG2 ARG 99 HG2 ARG 99 7.184 -3.676 -21.579 856 HG3 ARG 99 HG3 ARG 99 7.421 -4.117 -19.887 857 HD2 ARG 99 HD2 ARG 99 8.346 -5.856 -22.156 858 HD3 ARG 99 HD3 ARG 99 9.351 -4.575 -21.481 859 HE ARG 99 HE ARG 99 8.531 -6.087 -19.327 860 HH11 ARG 99 HH11 ARG 99 10.344 -6.657 -22.283 861 HH12 ARG 99 HH12 ARG 99 11.303 -7.939 -21.594 862 HH21 ARG 99 HH21 ARG 99 9.804 -7.741 -18.413 863 HH22 ARG 99 HH22 ARG 99 11.020 -8.537 -19.386 864 H ALA 100 H ALA 100 5.599 -2.752 -18.932 865 HA ALA 100 HA ALA 100 6.406 -4.159 -16.616 866 HB1 ALA 100 HB1 ALA 100 5.883 -1.205 -16.919 867 HB2 ALA 100 HB2 ALA 100 7.399 -2.022 -17.309 868 HB3 ALA 100 HB3 ALA 100 6.822 -1.981 -15.641 869 H LEU 101 H LEU 101 3.364 -2.910 -17.636 870 HA LEU 101 HA LEU 101 2.100 -2.495 -15.167 871 HB2 LEU 101 HB2 LEU 101 0.959 -3.505 -17.772 872 HB3 LEU 101 HB3 LEU 101 -0.010 -3.017 -16.396 873 HG LEU 101 HG LEU 101 1.835 -1.211 -17.964 874 HD11 LEU 101 HD11 LEU 101 -0.130 -1.859 -19.244 875 HD12 LEU 101 HD12 LEU 101 -0.241 -0.171 -18.746 876 HD13 LEU 101 HD13 LEU 101 -1.175 -1.404 -17.897 877 HD21 LEU 101 HD21 LEU 101 0.843 0.589 -16.657 878 HD22 LEU 101 HD22 LEU 101 1.653 -0.571 -15.605 879 HD23 LEU 101 HD23 LEU 101 -0.105 -0.581 -15.740 880 H SER 102 H SER 102 2.227 -5.404 -17.200 881 HA SER 102 HA SER 102 0.827 -7.037 -15.341 882 HB2 SER 102 HB2 SER 102 2.635 -7.911 -17.606 883 HB3 SER 102 HB3 SER 102 1.364 -8.863 -16.840 884 HG SER 102 HG SER 102 1.181 -7.091 -18.864 885 H GLU 103 H GLU 103 4.194 -6.305 -15.934 886 HA GLU 103 HA GLU 103 5.299 -8.433 -14.425 887 HB2 GLU 103 HB2 GLU 103 6.478 -5.735 -15.113 888 HB3 GLU 103 HB3 GLU 103 7.381 -7.106 -14.483 889 HG2 GLU 103 HG2 GLU 103 6.802 -8.397 -16.478 890 HG3 GLU 103 HG3 GLU 103 5.915 -7.009 -17.107 891 H ALA 104 H ALA 104 4.697 -5.009 -13.633 892 HA ALA 104 HA ALA 104 5.643 -5.255 -10.957 893 HB1 ALA 104 HB1 ALA 104 3.860 -3.130 -12.143 894 HB2 ALA 104 HB2 ALA 104 5.624 -3.119 -12.164 895 HB3 ALA 104 HB3 ALA 104 4.760 -3.019 -10.631 896 H LEU 105 H LEU 105 2.588 -5.794 -12.490 897 HA LEU 105 HA LEU 105 0.809 -5.490 -10.393 898 HB2 LEU 105 HB2 LEU 105 0.126 -5.898 -12.697 899 HB3 LEU 105 HB3 LEU 105 0.769 -7.527 -12.618 900 HG LEU 105 HG LEU 105 -0.917 -8.070 -10.873 901 HD11 LEU 105 HD11 LEU 105 -2.792 -6.555 -10.528 902 HD12 LEU 105 HD12 LEU 105 -2.007 -5.341 -11.534 903 HD13 LEU 105 HD13 LEU 105 -1.277 -5.825 -10.006 904 HD21 LEU 105 HD21 LEU 105 -1.356 -8.641 -13.181 905 HD22 LEU 105 HD22 LEU 105 -1.994 -7.026 -13.486 906 HD23 LEU 105 HD23 LEU 105 -2.845 -8.117 -12.396 907 H GLU 106 H GLU 106 2.559 -8.465 -11.341 908 HA GLU 106 HA GLU 106 1.442 -9.901 -9.131 909 HB2 GLU 106 HB2 GLU 106 2.728 -11.781 -9.856 910 HB3 GLU 106 HB3 GLU 106 2.065 -10.996 -11.279 911 HG2 GLU 106 HG2 GLU 106 4.187 -10.030 -11.809 912 HG3 GLU 106 HG3 GLU 106 4.877 -10.601 -10.289 913 H LYS 107 H LYS 107 4.140 -7.841 -9.526 914 HA LYS 107 HA LYS 107 5.825 -8.936 -7.523 915 HB2 LYS 107 HB2 LYS 107 5.628 -6.095 -8.539 916 HB3 LYS 107 HB3 LYS 107 6.922 -6.715 -7.520 917 HG2 LYS 107 HG2 LYS 107 6.256 -7.651 -10.305 918 HG3 LYS 107 HG3 LYS 107 7.608 -6.612 -9.851 919 HD2 LYS 107 HD2 LYS 107 7.199 -9.411 -8.806 920 HD3 LYS 107 HD3 LYS 107 8.214 -9.011 -10.193 921 HE2 LYS 107 HE2 LYS 107 8.583 -7.864 -7.429 922 HE3 LYS 107 HE3 LYS 107 9.458 -9.266 -8.044 923 HZ1 LYS 107 HZ1 LYS 107 10.713 -7.185 -8.257 924 HZ2 LYS 107 HZ2 LYS 107 9.512 -6.563 -9.280 925 HZ3 LYS 107 HZ3 LYS 107 10.421 -7.911 -9.760 926 H LEU 108 H LEU 108 3.315 -6.446 -7.485 927 HA LEU 108 HA LEU 108 3.521 -6.034 -4.646 928 HB2 LEU 108 HB2 LEU 108 1.575 -5.148 -6.756 929 HB3 LEU 108 HB3 LEU 108 1.216 -4.910 -5.058 930 HG LEU 108 HG LEU 108 3.285 -3.551 -4.841 931 HD11 LEU 108 HD11 LEU 108 4.571 -4.501 -6.683 932 HD12 LEU 108 HD12 LEU 108 4.412 -2.753 -6.853 933 HD13 LEU 108 HD13 LEU 108 3.423 -3.828 -7.841 934 HD21 LEU 108 HD21 LEU 108 2.413 -1.595 -6.032 935 HD22 LEU 108 HD22 LEU 108 1.138 -2.482 -5.198 936 HD23 LEU 108 HD23 LEU 108 1.327 -2.643 -6.943 937 H TRP 109 H TRP 109 1.540 -7.928 -6.824 938 HA TRP 109 HA TRP 109 -0.421 -8.781 -5.017 939 HB2 TRP 109 HB2 TRP 109 -0.701 -9.041 -7.413 940 HB3 TRP 109 HB3 TRP 109 0.683 -10.123 -7.491 941 HD1 TRP 109 HD1 TRP 109 -2.286 -10.338 -5.013 942 HE1 TRP 109 HE1 TRP 109 -3.378 -12.652 -5.286 943 HE3 TRP 109 HE3 TRP 109 0.469 -12.058 -8.956 944 HZ2 TRP 109 HZ2 TRP 109 -3.116 -14.899 -6.971 945 HZ3 TRP 109 HZ3 TRP 109 -0.019 -14.299 -9.846 946 HH2 TRP 109 HH2 TRP 109 -1.775 -15.688 -8.873 947 H ARG 110 H ARG 110 2.368 -10.689 -6.200 948 HA ARG 110 HA ARG 110 1.995 -12.827 -4.442 949 HB2 ARG 110 HB2 ARG 110 4.527 -11.868 -5.790 950 HB3 ARG 110 HB3 ARG 110 4.343 -13.435 -5.010 951 HG2 ARG 110 HG2 ARG 110 2.758 -14.153 -6.606 952 HG3 ARG 110 HG3 ARG 110 2.563 -12.521 -7.247 953 HD2 ARG 110 HD2 ARG 110 3.890 -13.785 -8.783 954 HD3 ARG 110 HD3 ARG 110 4.923 -12.593 -8.000 955 HE ARG 110 HE ARG 110 5.341 -14.756 -6.469 956 HH11 ARG 110 HH11 ARG 110 5.363 -14.288 -9.951 957 HH12 ARG 110 HH12 ARG 110 6.480 -15.594 -10.239 958 HH21 ARG 110 HH21 ARG 110 6.828 -16.440 -6.847 959 HH22 ARG 110 HH22 ARG 110 7.338 -16.802 -8.471 960 H ARG 111 H ARG 111 3.638 -9.791 -3.995 961 HA ARG 111 HA ARG 111 5.137 -10.404 -1.699 962 HB2 ARG 111 HB2 ARG 111 5.517 -8.363 -2.966 963 HB3 ARG 111 HB3 ARG 111 3.902 -7.785 -2.583 964 HG2 ARG 111 HG2 ARG 111 5.522 -6.644 -1.221 965 HG3 ARG 111 HG3 ARG 111 4.530 -7.686 -0.202 966 HD2 ARG 111 HD2 ARG 111 6.852 -7.846 0.461 967 HD3 ARG 111 HD3 ARG 111 6.317 -9.376 -0.231 968 HE ARG 111 HE ARG 111 7.397 -8.243 -2.371 969 HH11 ARG 111 HH11 ARG 111 8.597 -8.297 0.924 970 HH12 ARG 111 HH12 ARG 111 10.270 -8.363 0.444 971 HH21 ARG 111 HH21 ARG 111 9.578 -8.276 -3.002 972 HH22 ARG 111 HH22 ARG 111 10.833 -8.320 -1.795 973 H HIS 112 H HIS 112 1.810 -9.192 -2.073 974 HA HIS 112 HA HIS 112 1.487 -8.915 0.768 975 HB2 HIS 112 HB2 HIS 112 -0.422 -7.773 0.315 976 HB3 HIS 112 HB3 HIS 112 0.256 -7.702 -1.305 977 HD1 HIS 112 HD1 HIS 112 -2.505 -9.223 0.677 978 HD2 HIS 112 HD2 HIS 112 -1.070 -9.313 -3.216 979 HE1 HIS 112 HE1 HIS 112 -4.300 -10.336 -0.676 980 HE2 HIS 112 HE2 HIS 112 -3.253 -10.676 -2.937 981 H CYS 113 H CYS 113 0.914 -11.424 -1.563 982 HA CYS 113 HA CYS 113 -1.024 -12.908 -0.140 983 HB2 CYS 113 HB2 CYS 113 1.092 -13.981 -2.019 984 HB3 CYS 113 HB3 CYS 113 -0.422 -14.765 -1.585 985 HG CYS 113 HG CYS 113 -2.060 -13.011 -2.937 986 H ARG 114 H ARG 114 2.508 -12.967 -0.127 987 HA ARG 114 HA ARG 114 2.761 -15.231 1.569 988 HB2 ARG 114 HB2 ARG 114 4.518 -14.239 0.007 989 HB3 ARG 114 HB3 ARG 114 4.782 -13.013 1.238 990 HG2 ARG 114 HG2 ARG 114 6.449 -14.727 1.439 991 HG3 ARG 114 HG3 ARG 114 5.373 -14.793 2.838 992 HD2 ARG 114 HD2 ARG 114 4.235 -16.692 1.978 993 HD3 ARG 114 HD3 ARG 114 5.017 -16.529 0.405 994 HE ARG 114 HE ARG 114 6.696 -17.054 2.747 995 HH11 ARG 114 HH11 ARG 114 5.195 -18.223 -0.185 996 HH12 ARG 114 HH12 ARG 114 6.254 -19.600 -0.331 997 HH21 ARG 114 HH21 ARG 114 8.089 -18.854 2.565 998 HH22 ARG 114 HH22 ARG 114 7.911 -19.945 1.224 999 H LEU 115 H LEU 115 2.895 -11.736 2.141 1000 HA LEU 115 HA LEU 115 3.510 -11.926 4.895 1001 HB2 LEU 115 HB2 LEU 115 3.954 -9.935 3.510 1002 HB3 LEU 115 HB3 LEU 115 2.230 -9.652 3.381 1003 HG LEU 115 HG LEU 115 2.112 -9.281 5.814 1004 HD11 LEU 115 HD11 LEU 115 3.983 -10.686 6.492 1005 HD12 LEU 115 HD12 LEU 115 4.174 -9.040 7.100 1006 HD13 LEU 115 HD13 LEU 115 5.109 -9.578 5.704 1007 HD21 LEU 115 HD21 LEU 115 4.161 -7.608 4.366 1008 HD22 LEU 115 HD22 LEU 115 3.304 -7.135 5.835 1009 HD23 LEU 115 HD23 LEU 115 2.410 -7.384 4.334 1010 H ALA 116 H ALA 116 0.518 -12.055 3.128 1011 HA ALA 116 HA ALA 116 -1.217 -11.376 5.280 1012 HB1 ALA 116 HB1 ALA 116 -1.918 -11.220 2.944 1013 HB2 ALA 116 HB2 ALA 116 -3.002 -12.256 3.873 1014 HB3 ALA 116 HB3 ALA 116 -1.808 -12.973 2.791 1015 H ARG 117 H ARG 117 0.656 -14.115 4.663 1016 HA ARG 117 HA ARG 117 -0.976 -15.713 6.529 1017 HB2 ARG 117 HB2 ARG 117 1.001 -16.727 4.472 1018 HB3 ARG 117 HB3 ARG 117 -0.041 -17.708 5.499 1019 HG2 ARG 117 HG2 ARG 117 -2.009 -16.820 4.394 1020 HG3 ARG 117 HG3 ARG 117 -0.998 -15.776 3.397 1021 HD2 ARG 117 HD2 ARG 117 0.114 -17.869 2.545 1022 HD3 ARG 117 HD3 ARG 117 -1.155 -18.779 3.368 1023 HE ARG 117 HE ARG 117 -2.314 -16.790 1.732 1024 HH11 ARG 117 HH11 ARG 117 -0.707 -19.906 1.542 1025 HH12 ARG 117 HH12 ARG 117 -1.420 -20.311 0.007 1026 HH21 ARG 117 HH21 ARG 117 -3.219 -17.320 -0.287 1027 HH22 ARG 117 HH22 ARG 117 -2.815 -18.828 -1.054 1028 H GLY 118 H GLY 118 1.488 -13.714 6.516 1029 HA2 GLY 118 HA2 GLY 118 3.095 -13.310 8.121 1030 HA3 GLY 118 HA3 GLY 118 2.676 -14.841 8.874 1031 H SER 119 H SER 119 4.089 -16.439 8.728 1032 HA SER 119 HA SER 119 5.807 -16.723 6.424 1033 HB2 SER 119 HB2 SER 119 7.017 -16.307 9.172 1034 HB3 SER 119 HB3 SER 119 7.902 -16.687 7.694 1035 HG SER 119 HG SER 119 6.413 -14.565 7.176 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -8.048 -5.434 24.668 2 H2 MET 1 H2 MET 1 -8.954 -6.829 25.017 3 H3 MET 1 H3 MET 1 -8.762 -6.323 23.412 4 HA MET 1 HA MET 1 -6.579 -7.231 25.192 5 HB2 MET 1 HB2 MET 1 -8.074 -9.072 24.553 6 HB3 MET 1 HB3 MET 1 -7.927 -8.618 22.861 7 HG2 MET 1 HG2 MET 1 -5.524 -9.110 22.954 8 HG3 MET 1 HG3 MET 1 -5.706 -9.618 24.632 9 HE1 MET 1 HE1 MET 1 -7.944 -12.798 24.310 10 HE2 MET 1 HE2 MET 1 -8.452 -11.143 24.648 11 HE3 MET 1 HE3 MET 1 -6.993 -11.789 25.400 12 H VAL 2 H VAL 2 -4.659 -6.500 24.578 13 HA VAL 2 HA VAL 2 -4.492 -5.053 22.060 14 HB VAL 2 HB VAL 2 -3.607 -3.915 24.000 15 HG11 VAL 2 HG11 VAL 2 -1.621 -4.715 25.193 16 HG12 VAL 2 HG12 VAL 2 -1.678 -6.215 24.268 17 HG13 VAL 2 HG13 VAL 2 -2.989 -5.813 25.377 18 HG21 VAL 2 HG21 VAL 2 -1.338 -3.387 23.178 19 HG22 VAL 2 HG22 VAL 2 -2.544 -3.418 21.892 20 HG23 VAL 2 HG23 VAL 2 -1.435 -4.774 22.092 21 H LYS 3 H LYS 3 -3.867 -6.007 20.276 22 HA LYS 3 HA LYS 3 -1.679 -7.964 20.435 23 HB2 LYS 3 HB2 LYS 3 -2.618 -9.067 18.400 24 HB3 LYS 3 HB3 LYS 3 -3.609 -9.242 19.836 25 HG2 LYS 3 HG2 LYS 3 -4.208 -7.052 17.900 26 HG3 LYS 3 HG3 LYS 3 -4.696 -8.706 17.533 27 HD2 LYS 3 HD2 LYS 3 -5.455 -7.113 19.982 28 HD3 LYS 3 HD3 LYS 3 -6.509 -7.516 18.626 29 HE2 LYS 3 HE2 LYS 3 -5.191 -9.538 20.440 30 HE3 LYS 3 HE3 LYS 3 -6.848 -8.964 20.614 31 HZ1 LYS 3 HZ1 LYS 3 -6.336 -11.146 19.325 32 HZ2 LYS 3 HZ2 LYS 3 -6.003 -10.094 18.033 33 HZ3 LYS 3 HZ3 LYS 3 -7.532 -10.086 18.761 34 H LEU 4 H LEU 4 -2.171 -4.976 19.803 35 HA LEU 4 HA LEU 4 -0.644 -4.898 17.290 36 HB2 LEU 4 HB2 LEU 4 -2.404 -2.834 18.613 37 HB3 LEU 4 HB3 LEU 4 -1.312 -2.441 17.303 38 HG LEU 4 HG LEU 4 -2.576 -4.161 15.912 39 HD11 LEU 4 HD11 LEU 4 -3.691 -5.337 17.735 40 HD12 LEU 4 HD12 LEU 4 -4.862 -4.656 16.605 41 HD13 LEU 4 HD13 LEU 4 -4.568 -3.866 18.154 42 HD21 LEU 4 HD21 LEU 4 -2.823 -1.758 15.621 43 HD22 LEU 4 HD22 LEU 4 -4.042 -1.720 16.895 44 HD23 LEU 4 HD23 LEU 4 -4.364 -2.586 15.393 45 H ALA 5 H ALA 5 0.738 -2.712 17.316 46 HA ALA 5 HA ALA 5 2.615 -3.015 19.467 47 HB1 ALA 5 HB1 ALA 5 3.900 -1.283 18.311 48 HB2 ALA 5 HB2 ALA 5 2.546 -1.008 17.215 49 HB3 ALA 5 HB3 ALA 5 3.391 -2.555 17.199 50 H PHE 6 H PHE 6 1.825 -2.335 21.385 51 HA PHE 6 HA PHE 6 0.224 0.027 21.638 52 HB2 PHE 6 HB2 PHE 6 0.003 -2.004 23.103 53 HB3 PHE 6 HB3 PHE 6 1.541 -1.575 23.841 54 HD1 PHE 6 HD2 PHE 6 -1.927 -0.409 23.304 55 HD2 PHE 6 HD1 PHE 6 1.652 0.016 25.565 56 HE1 PHE 6 HE2 PHE 6 -3.109 1.046 24.896 57 HE2 PHE 6 HE1 PHE 6 0.473 1.471 27.162 58 HZ PHE 6 HZ PHE 6 -1.910 1.987 26.827 59 HA PRO 7 HA PRO 7 3.873 2.609 21.915 60 HB2 PRO 7 HB2 PRO 7 2.161 4.913 21.933 61 HB3 PRO 7 HB3 PRO 7 3.133 4.289 20.602 62 HG2 PRO 7 HG2 PRO 7 0.375 4.297 20.661 63 HG3 PRO 7 HG3 PRO 7 1.361 3.221 19.656 64 HD2 PRO 7 HD2 PRO 7 -0.011 2.667 22.251 65 HD3 PRO 7 HD3 PRO 7 0.200 1.617 20.834 66 H ARG 8 H ARG 8 3.451 1.544 24.303 67 HA ARG 8 HA ARG 8 2.443 3.233 26.324 68 HB2 ARG 8 HB2 ARG 8 3.740 1.830 27.895 69 HB3 ARG 8 HB3 ARG 8 2.799 0.875 26.759 70 HG2 ARG 8 HG2 ARG 8 4.614 -0.101 25.905 71 HG3 ARG 8 HG3 ARG 8 5.507 1.420 25.831 72 HD2 ARG 8 HD2 ARG 8 6.571 -0.210 27.327 73 HD3 ARG 8 HD3 ARG 8 6.064 1.247 28.177 74 HE ARG 8 HE ARG 8 4.121 -0.077 28.964 75 HH11 ARG 8 HH11 ARG 8 7.013 -1.734 27.869 76 HH12 ARG 8 HH12 ARG 8 6.737 -3.124 28.873 77 HH21 ARG 8 HH21 ARG 8 3.763 -1.905 30.288 78 HH22 ARG 8 HH22 ARG 8 4.885 -3.241 30.225 79 H GLU 9 H GLU 9 5.509 3.124 24.691 80 HA GLU 9 HA GLU 9 6.914 4.748 26.578 81 HB2 GLU 9 HB2 GLU 9 7.991 3.140 24.993 82 HB3 GLU 9 HB3 GLU 9 7.565 4.219 23.673 83 HG2 GLU 9 HG2 GLU 9 8.937 5.980 24.705 84 HG3 GLU 9 HG3 GLU 9 9.407 4.842 25.967 85 H LEU 10 H LEU 10 4.767 5.314 23.962 86 HA LEU 10 HA LEU 10 5.524 8.119 23.697 87 HB2 LEU 10 HB2 LEU 10 4.821 6.414 21.811 88 HB3 LEU 10 HB3 LEU 10 3.198 6.855 22.295 89 HG LEU 10 HG LEU 10 4.148 8.086 20.302 90 HD11 LEU 10 HD11 LEU 10 3.236 10.249 20.962 91 HD12 LEU 10 HD12 LEU 10 3.261 9.744 22.653 92 HD13 LEU 10 HD13 LEU 10 2.209 8.920 21.501 93 HD21 LEU 10 HD21 LEU 10 5.647 9.957 20.754 94 HD22 LEU 10 HD22 LEU 10 6.408 8.413 21.141 95 HD23 LEU 10 HD23 LEU 10 5.789 9.440 22.435 96 H ARG 11 H ARG 11 3.039 6.049 24.984 97 HA ARG 11 HA ARG 11 1.449 6.342 26.559 98 HB2 ARG 11 HB2 ARG 11 2.594 9.106 26.950 99 HB3 ARG 11 HB3 ARG 11 1.523 8.254 28.053 100 HG2 ARG 11 HG2 ARG 11 3.337 6.490 28.216 101 HG3 ARG 11 HG3 ARG 11 4.390 7.651 27.403 102 HD2 ARG 11 HD2 ARG 11 4.747 7.923 29.729 103 HD3 ARG 11 HD3 ARG 11 3.772 9.297 29.204 104 HE ARG 11 HE ARG 11 2.746 6.949 30.676 105 HH11 ARG 11 HH11 ARG 11 2.495 10.323 29.735 106 HH12 ARG 11 HH12 ARG 11 1.149 10.632 30.790 107 HH21 ARG 11 HH21 ARG 11 1.002 7.385 32.072 108 HH22 ARG 11 HH22 ARG 11 0.321 8.983 32.123 109 H LEU 12 H LEU 12 1.170 7.345 23.701 110 HA LEU 12 HA LEU 12 -1.393 8.688 24.167 111 HB2 LEU 12 HB2 LEU 12 0.514 10.280 23.470 112 HB3 LEU 12 HB3 LEU 12 0.428 9.500 21.906 113 HG LEU 12 HG LEU 12 -0.783 11.684 22.059 114 HD11 LEU 12 HD11 LEU 12 -1.376 10.078 20.332 115 HD12 LEU 12 HD12 LEU 12 -2.800 10.951 20.899 116 HD13 LEU 12 HD13 LEU 12 -2.509 9.295 21.433 117 HD21 LEU 12 HD21 LEU 12 -1.610 11.466 24.339 118 HD22 LEU 12 HD22 LEU 12 -2.658 10.139 23.840 119 HD23 LEU 12 HD23 LEU 12 -2.928 11.761 23.205 120 H LEU 13 H LEU 13 -2.868 7.343 23.412 121 HA LEU 13 HA LEU 13 -2.192 5.413 21.350 122 HB2 LEU 13 HB2 LEU 13 -3.604 5.011 23.497 123 HB3 LEU 13 HB3 LEU 13 -4.905 5.769 22.605 124 HG LEU 13 HG LEU 13 -4.948 3.270 22.581 125 HD11 LEU 13 HD11 LEU 13 -6.107 4.516 20.852 126 HD12 LEU 13 HD12 LEU 13 -5.407 3.038 20.192 127 HD13 LEU 13 HD13 LEU 13 -4.626 4.591 19.895 128 HD21 LEU 13 HD21 LEU 13 -2.569 2.838 22.504 129 HD22 LEU 13 HD22 LEU 13 -2.460 3.597 20.916 130 HD23 LEU 13 HD23 LEU 13 -3.366 2.097 21.115 131 H THR 14 H THR 14 -2.387 5.933 19.272 132 HA THR 14 HA THR 14 -4.507 7.813 18.493 133 HB THR 14 HB THR 14 -2.908 7.765 16.313 134 HG1 THR 14 HG1 THR 14 -1.088 7.666 18.501 135 HG21 THR 14 HG21 THR 14 -1.977 9.892 17.111 136 HG22 THR 14 HG22 THR 14 -2.529 9.520 18.745 137 HG23 THR 14 HG23 THR 14 -3.704 9.772 17.453 138 HA PRO 15 HA PRO 15 -6.047 4.049 16.534 139 HB2 PRO 15 HB2 PRO 15 -8.609 5.345 16.381 140 HB3 PRO 15 HB3 PRO 15 -8.112 4.034 17.449 141 HG2 PRO 15 HG2 PRO 15 -8.721 6.582 18.295 142 HG3 PRO 15 HG3 PRO 15 -7.694 5.447 19.186 143 HD2 PRO 15 HD2 PRO 15 -6.916 7.741 17.434 144 HD3 PRO 15 HD3 PRO 15 -6.185 7.183 18.955 145 H SER 16 H SER 16 -5.424 7.035 15.357 146 HA SER 16 HA SER 16 -6.958 7.088 12.973 147 HB2 SER 16 HB2 SER 16 -4.376 8.502 13.671 148 HB3 SER 16 HB3 SER 16 -5.410 8.890 12.295 149 HG SER 16 HG SER 16 -7.088 9.012 14.160 150 H GLN 17 H GLN 17 -6.719 5.975 11.202 151 HA GLN 17 HA GLN 17 -4.999 3.865 10.869 152 HB2 GLN 17 HB2 GLN 17 -5.620 4.042 8.408 153 HB3 GLN 17 HB3 GLN 17 -6.944 3.899 9.555 154 HG2 GLN 17 HG2 GLN 17 -7.394 6.265 9.398 155 HG3 GLN 17 HG3 GLN 17 -5.995 6.491 8.351 156 HE21 GLN 17 HE21 GLN 17 -8.079 3.715 8.062 157 HE22 GLN 17 HE22 GLN 17 -8.790 4.160 6.555 158 H PHE 18 H PHE 18 -4.625 7.133 9.515 159 HA PHE 18 HA PHE 18 -2.356 6.476 7.956 160 HB2 PHE 18 HB2 PHE 18 -3.896 8.402 7.532 161 HB3 PHE 18 HB3 PHE 18 -3.196 9.214 8.928 162 HD1 PHE 18 HD1 PHE 18 -2.404 7.836 5.589 163 HD2 PHE 18 HD2 PHE 18 -1.209 10.442 8.736 164 HE1 PHE 18 HE1 PHE 18 -0.641 8.766 4.145 165 HE2 PHE 18 HE2 PHE 18 0.557 11.372 7.299 166 HZ PHE 18 HZ PHE 18 0.843 10.535 5.001 167 H THR 19 H THR 19 -2.751 7.747 11.209 168 HA THR 19 HA THR 19 -0.059 8.557 11.568 169 HB THR 19 HB THR 19 -2.043 7.821 13.725 170 HG1 THR 19 HG1 THR 19 -1.809 10.481 13.171 171 HG21 THR 19 HG21 THR 19 0.226 8.136 14.551 172 HG22 THR 19 HG22 THR 19 -0.790 9.492 15.047 173 HG23 THR 19 HG23 THR 19 0.339 9.679 13.704 174 H PHE 20 H PHE 20 -1.846 5.619 12.460 175 HA PHE 20 HA PHE 20 0.161 4.486 14.066 176 HB2 PHE 20 HB2 PHE 20 -2.275 3.831 13.995 177 HB3 PHE 20 HB3 PHE 20 -1.931 2.969 12.500 178 HD1 PHE 20 HD1 PHE 20 -1.259 3.084 16.118 179 HD2 PHE 20 HD2 PHE 20 -0.865 0.844 12.520 180 HE1 PHE 20 HE1 PHE 20 -0.596 1.108 17.422 181 HE2 PHE 20 HE2 PHE 20 -0.201 -1.134 13.822 182 HZ PHE 20 HZ PHE 20 -0.066 -1.003 16.276 183 H VAL 21 H VAL 21 -0.533 4.141 10.611 184 HA VAL 21 HA VAL 21 1.464 2.104 10.254 185 HB VAL 21 HB VAL 21 -0.595 2.211 8.865 186 HG11 VAL 21 HG11 VAL 21 -0.747 4.619 8.575 187 HG12 VAL 21 HG12 VAL 21 -0.729 3.800 7.014 188 HG13 VAL 21 HG13 VAL 21 0.724 4.606 7.600 189 HG21 VAL 21 HG21 VAL 21 1.999 2.371 7.334 190 HG22 VAL 21 HG22 VAL 21 0.491 1.685 6.725 191 HG23 VAL 21 HG23 VAL 21 1.314 0.931 8.091 192 H PHE 22 H PHE 22 1.455 5.525 10.294 193 HA PHE 22 HA PHE 22 3.616 5.944 8.468 194 HB2 PHE 22 HB2 PHE 22 1.959 7.692 8.904 195 HB3 PHE 22 HB3 PHE 22 2.451 7.756 10.592 196 HD1 PHE 22 HD1 PHE 22 3.662 8.326 7.137 197 HD2 PHE 22 HD2 PHE 22 4.201 9.148 11.279 198 HE1 PHE 22 HE1 PHE 22 5.339 10.038 6.578 199 HE2 PHE 22 HE2 PHE 22 5.878 10.860 10.725 200 HZ PHE 22 HZ PHE 22 6.448 11.307 8.371 201 H GLN 23 H GLN 23 3.342 5.476 11.938 202 HA GLN 23 HA GLN 23 5.818 6.562 12.686 203 HB2 GLN 23 HB2 GLN 23 4.278 4.364 14.070 204 HB3 GLN 23 HB3 GLN 23 5.526 5.370 14.795 205 HG2 GLN 23 HG2 GLN 23 2.916 6.391 13.699 206 HG3 GLN 23 HG3 GLN 23 3.231 6.046 15.397 207 HE21 GLN 23 HE21 GLN 23 2.773 8.168 15.946 208 HE22 GLN 23 HE22 GLN 23 3.871 9.471 15.628 209 H GLN 24 H GLN 24 4.978 3.096 12.336 210 HA GLN 24 HA GLN 24 7.733 2.649 11.427 211 HB2 GLN 24 HB2 GLN 24 6.274 0.954 13.463 212 HB3 GLN 24 HB3 GLN 24 7.772 0.484 12.677 213 HG2 GLN 24 HG2 GLN 24 8.848 2.499 13.654 214 HG3 GLN 24 HG3 GLN 24 7.355 2.814 14.535 215 HE21 GLN 24 HE21 GLN 24 6.760 1.436 16.221 216 HE22 GLN 24 HE22 GLN 24 7.883 0.344 16.958 217 HA PRO 25 HA PRO 25 4.739 0.740 8.548 218 HB2 PRO 25 HB2 PRO 25 5.735 1.759 6.284 219 HB3 PRO 25 HB3 PRO 25 4.708 2.716 7.354 220 HG2 PRO 25 HG2 PRO 25 7.674 2.770 7.027 221 HG3 PRO 25 HG3 PRO 25 6.550 4.114 7.290 222 HD2 PRO 25 HD2 PRO 25 8.099 2.923 9.254 223 HD3 PRO 25 HD3 PRO 25 6.635 3.879 9.551 224 H GLN 26 H GLN 26 4.947 -1.142 7.450 225 HA GLN 26 HA GLN 26 7.567 -2.366 7.248 226 HB2 GLN 26 HB2 GLN 26 4.798 -3.372 6.543 227 HB3 GLN 26 HB3 GLN 26 6.266 -4.332 6.406 228 HG2 GLN 26 HG2 GLN 26 6.617 -4.263 8.762 229 HG3 GLN 26 HG3 GLN 26 5.318 -3.092 8.977 230 HE21 GLN 26 HE21 GLN 26 6.115 -6.411 8.349 231 HE22 GLN 26 HE22 GLN 26 4.542 -7.053 8.658 232 H ARG 27 H ARG 27 8.760 -2.464 5.434 233 HA ARG 27 HA ARG 27 7.815 -0.923 3.162 234 HB2 ARG 27 HB2 ARG 27 10.158 -0.813 4.296 235 HB3 ARG 27 HB3 ARG 27 10.508 -2.251 3.350 236 HG2 ARG 27 HG2 ARG 27 9.577 0.346 2.145 237 HG3 ARG 27 HG3 ARG 27 11.272 -0.083 2.356 238 HD2 ARG 27 HD2 ARG 27 9.234 -1.551 0.685 239 HD3 ARG 27 HD3 ARG 27 10.562 -0.556 0.091 240 HE ARG 27 HE ARG 27 10.806 -3.191 1.373 241 HH11 ARG 27 HH11 ARG 27 12.241 -0.525 -0.405 242 HH12 ARG 27 HH12 ARG 27 13.666 -1.421 -0.849 243 HH21 ARG 27 HH21 ARG 27 12.667 -4.374 0.791 244 HH22 ARG 27 HH22 ARG 27 13.931 -3.598 -0.125 245 H ALA 28 H ALA 28 6.343 -2.198 2.115 246 HA ALA 28 HA ALA 28 7.364 -4.737 1.022 247 HB1 ALA 28 HB1 ALA 28 5.060 -5.492 0.867 248 HB2 ALA 28 HB2 ALA 28 4.490 -3.943 1.493 249 HB3 ALA 28 HB3 ALA 28 5.439 -5.017 2.523 250 H GLY 29 H GLY 29 6.338 -5.308 -1.114 251 HA2 GLY 29 HA2 GLY 29 5.455 -4.719 -3.202 252 HA3 GLY 29 HA3 GLY 29 5.500 -3.030 -2.718 253 H THR 30 H THR 30 6.941 -1.840 -3.721 254 HA THR 30 HA THR 30 9.534 -2.966 -4.487 255 HB THR 30 HB THR 30 7.894 -1.402 -6.476 256 HG1 THR 30 HG1 THR 30 7.716 -4.101 -5.785 257 HG21 THR 30 HG21 THR 30 9.358 -2.520 -8.121 258 HG22 THR 30 HG22 THR 30 10.227 -3.289 -6.794 259 HG23 THR 30 HG23 THR 30 10.261 -1.534 -6.971 260 HA PRO 31 HA PRO 31 10.996 1.134 -3.264 261 HB2 PRO 31 HB2 PRO 31 12.670 0.890 -5.725 262 HB3 PRO 31 HB3 PRO 31 13.143 1.347 -4.083 263 HG2 PRO 31 HG2 PRO 31 13.700 -1.073 -4.977 264 HG3 PRO 31 HG3 PRO 31 13.095 -0.855 -3.325 265 HD2 PRO 31 HD2 PRO 31 11.655 -1.831 -5.749 266 HD3 PRO 31 HD3 PRO 31 11.537 -2.383 -4.065 267 H GLN 32 H GLN 32 10.027 0.411 -6.570 268 HA GLN 32 HA GLN 32 9.742 3.172 -7.339 269 HB2 GLN 32 HB2 GLN 32 10.273 1.276 -8.924 270 HB3 GLN 32 HB3 GLN 32 8.606 0.746 -8.739 271 HG2 GLN 32 HG2 GLN 32 8.801 2.022 -10.755 272 HG3 GLN 32 HG3 GLN 32 7.850 2.938 -9.589 273 HE21 GLN 32 HE21 GLN 32 10.837 2.726 -11.323 274 HE22 GLN 32 HE22 GLN 32 11.420 4.308 -10.942 275 H ILE 33 H ILE 33 7.567 0.548 -6.372 276 HA ILE 33 HA ILE 33 5.583 2.598 -5.702 277 HB ILE 33 HB ILE 33 4.704 1.569 -7.684 278 HG12 ILE 33 HG12 ILE 33 3.295 0.377 -5.289 279 HG13 ILE 33 HG13 ILE 33 3.133 2.047 -5.820 280 HG21 ILE 33 HG21 ILE 33 4.260 -0.856 -7.837 281 HG22 ILE 33 HG22 ILE 33 5.150 -1.083 -6.330 282 HG23 ILE 33 HG23 ILE 33 5.979 -0.468 -7.760 283 HD11 ILE 33 HD11 ILE 33 2.343 -0.391 -7.397 284 HD12 ILE 33 HD12 ILE 33 2.182 1.281 -7.934 285 HD13 ILE 33 HD13 ILE 33 1.251 0.705 -6.552 286 H THR 34 H THR 34 5.808 2.646 -3.566 287 HA THR 34 HA THR 34 6.562 0.188 -2.183 288 HB THR 34 HB THR 34 6.615 3.016 -1.125 289 HG1 THR 34 HG1 THR 34 8.331 1.599 -2.818 290 HG21 THR 34 HG21 THR 34 8.243 2.100 0.467 291 HG22 THR 34 HG22 THR 34 8.031 0.498 -0.237 292 HG23 THR 34 HG23 THR 34 6.687 1.276 0.599 293 H ILE 35 H ILE 35 5.172 -0.905 -1.023 294 HA ILE 35 HA ILE 35 2.649 0.340 -0.204 295 HB ILE 35 HB ILE 35 3.451 -2.572 -0.038 296 HG12 ILE 35 HG12 ILE 35 1.754 -1.198 -2.134 297 HG13 ILE 35 HG13 ILE 35 3.411 -1.746 -2.377 298 HG21 ILE 35 HG21 ILE 35 1.036 -2.957 0.204 299 HG22 ILE 35 HG22 ILE 35 0.767 -1.215 0.190 300 HG23 ILE 35 HG23 ILE 35 1.680 -1.956 1.504 301 HD11 ILE 35 HD11 ILE 35 2.717 -4.043 -2.003 302 HD12 ILE 35 HD12 ILE 35 1.791 -3.307 -3.311 303 HD13 ILE 35 HD13 ILE 35 1.062 -3.505 -1.718 304 H LEU 36 H LEU 36 2.649 1.221 1.750 305 HA LEU 36 HA LEU 36 4.342 0.056 3.848 306 HB2 LEU 36 HB2 LEU 36 2.837 2.675 3.818 307 HB3 LEU 36 HB3 LEU 36 3.912 2.124 5.090 308 HG LEU 36 HG LEU 36 4.728 2.789 2.259 309 HD11 LEU 36 HD11 LEU 36 4.166 4.771 3.532 310 HD12 LEU 36 HD12 LEU 36 5.914 4.664 3.311 311 HD13 LEU 36 HD13 LEU 36 5.194 4.234 4.863 312 HD21 LEU 36 HD21 LEU 36 6.421 1.995 4.628 313 HD22 LEU 36 HD22 LEU 36 7.011 2.475 3.038 314 HD23 LEU 36 HD23 LEU 36 6.083 0.987 3.221 315 H GLY 37 H GLY 37 3.293 -1.563 4.817 316 HA2 GLY 37 HA2 GLY 37 0.434 -1.166 5.440 317 HA3 GLY 37 HA3 GLY 37 1.143 -2.728 5.063 318 H ARG 38 H ARG 38 -0.363 -1.761 7.391 319 HA ARG 38 HA ARG 38 1.227 -3.114 9.366 320 HB2 ARG 38 HB2 ARG 38 0.729 -0.180 9.502 321 HB3 ARG 38 HB3 ARG 38 0.538 -1.094 10.990 322 HG2 ARG 38 HG2 ARG 38 3.023 -0.976 9.289 323 HG3 ARG 38 HG3 ARG 38 2.764 -0.150 10.828 324 HD2 ARG 38 HD2 ARG 38 2.424 -2.376 11.889 325 HD3 ARG 38 HD3 ARG 38 2.868 -3.124 10.356 326 HE ARG 38 HE ARG 38 4.904 -1.343 11.107 327 HH11 ARG 38 HH11 ARG 38 3.508 -4.396 12.076 328 HH12 ARG 38 HH12 ARG 38 4.948 -4.972 12.859 329 HH21 ARG 38 HH21 ARG 38 6.831 -2.115 12.095 330 HH22 ARG 38 HH22 ARG 38 6.843 -3.674 12.854 331 H LEU 39 H LEU 39 -0.063 -4.012 10.984 332 HA LEU 39 HA LEU 39 -2.833 -4.245 10.443 333 HB2 LEU 39 HB2 LEU 39 -2.982 -5.518 12.517 334 HB3 LEU 39 HB3 LEU 39 -1.629 -6.056 11.545 335 HG LEU 39 HG LEU 39 -1.272 -4.155 13.858 336 HD11 LEU 39 HD11 LEU 39 -0.680 -6.097 15.220 337 HD12 LEU 39 HD12 LEU 39 -1.160 -7.167 13.903 338 HD13 LEU 39 HD13 LEU 39 -2.366 -6.160 14.704 339 HD21 LEU 39 HD21 LEU 39 0.614 -6.067 12.480 340 HD22 LEU 39 HD22 LEU 39 1.015 -5.000 13.825 341 HD23 LEU 39 HD23 LEU 39 0.579 -4.317 12.260 342 H ASN 40 H ASN 40 -4.151 -2.579 10.642 343 HA ASN 40 HA ASN 40 -3.491 -0.462 12.517 344 HB2 ASN 40 HB2 ASN 40 -4.205 -0.228 10.000 345 HB3 ASN 40 HB3 ASN 40 -5.834 -0.332 10.662 346 HD21 ASN 40 HD21 ASN 40 -2.984 1.556 10.364 347 HD22 ASN 40 HD22 ASN 40 -3.595 2.995 11.099 348 H SER 41 H SER 41 -5.180 0.565 13.802 349 HA SER 41 HA SER 41 -6.772 -1.464 15.137 350 HB2 SER 41 HB2 SER 41 -5.339 0.042 16.479 351 HB3 SER 41 HB3 SER 41 -6.270 1.422 15.904 352 HG SER 41 HG SER 41 -8.135 0.087 16.815 353 H LEU 42 H LEU 42 -7.196 1.136 12.923 354 HA LEU 42 HA LEU 42 -9.956 1.632 13.498 355 HB2 LEU 42 HB2 LEU 42 -8.217 3.093 12.204 356 HB3 LEU 42 HB3 LEU 42 -8.684 2.124 10.823 357 HG LEU 42 HG LEU 42 -10.676 3.696 12.454 358 HD11 LEU 42 HD11 LEU 42 -10.570 5.383 10.670 359 HD12 LEU 42 HD12 LEU 42 -9.200 4.527 9.962 360 HD13 LEU 42 HD13 LEU 42 -9.054 5.252 11.562 361 HD21 LEU 42 HD21 LEU 42 -12.070 3.473 10.462 362 HD22 LEU 42 HD22 LEU 42 -11.609 1.892 11.093 363 HD23 LEU 42 HD23 LEU 42 -10.798 2.542 9.668 364 H GLY 43 H GLY 43 -8.480 0.186 10.574 365 HA2 GLY 43 HA2 GLY 43 -8.850 -1.909 9.667 366 HA3 GLY 43 HA3 GLY 43 -9.930 -2.265 11.004 367 H HIS 44 H HIS 44 -10.050 0.314 8.570 368 HA HIS 44 HA HIS 44 -12.448 -0.976 7.460 369 HB2 HIS 44 HB2 HIS 44 -13.081 0.944 8.975 370 HB3 HIS 44 HB3 HIS 44 -12.206 2.015 7.885 371 HD1 HIS 44 HD1 HIS 44 -15.440 0.340 8.373 372 HD2 HIS 44 HD2 HIS 44 -13.422 2.240 5.264 373 HE1 HIS 44 HE1 HIS 44 -17.182 0.812 6.614 374 HE2 HIS 44 HE2 HIS 44 -15.965 2.057 4.794 375 HA PRO 45 HA PRO 45 -8.973 -1.009 4.527 376 HB2 PRO 45 HB2 PRO 45 -11.355 -1.771 2.879 377 HB3 PRO 45 HB3 PRO 45 -9.715 -2.434 2.855 378 HG2 PRO 45 HG2 PRO 45 -11.719 -3.646 4.184 379 HG3 PRO 45 HG3 PRO 45 -10.043 -3.683 4.759 380 HD2 PRO 45 HD2 PRO 45 -12.364 -2.302 5.893 381 HD3 PRO 45 HD3 PRO 45 -10.791 -2.646 6.634 382 H ARG 46 H ARG 46 -8.538 1.180 4.385 383 HA ARG 46 HA ARG 46 -9.776 2.471 2.045 384 HB2 ARG 46 HB2 ARG 46 -8.261 3.750 4.337 385 HB3 ARG 46 HB3 ARG 46 -8.883 4.607 2.936 386 HG2 ARG 46 HG2 ARG 46 -10.524 3.182 5.020 387 HG3 ARG 46 HG3 ARG 46 -10.314 4.927 4.866 388 HD2 ARG 46 HD2 ARG 46 -11.561 3.132 2.787 389 HD3 ARG 46 HD3 ARG 46 -12.454 4.119 3.940 390 HE ARG 46 HE ARG 46 -10.592 5.622 2.340 391 HH11 ARG 46 HH11 ARG 46 -13.846 4.341 2.548 392 HH12 ARG 46 HH12 ARG 46 -14.498 5.452 1.376 393 HH21 ARG 46 HH21 ARG 46 -11.452 7.076 0.765 394 HH22 ARG 46 HH22 ARG 46 -13.143 6.990 0.376 395 H ILE 47 H ILE 47 -8.536 2.098 0.309 396 HA ILE 47 HA ILE 47 -5.788 1.411 0.509 397 HB ILE 47 HB ILE 47 -7.101 0.522 -1.322 398 HG12 ILE 47 HG12 ILE 47 -4.916 2.394 -2.255 399 HG13 ILE 47 HG13 ILE 47 -4.717 0.734 -1.701 400 HG21 ILE 47 HG21 ILE 47 -8.680 2.302 -1.696 401 HG22 ILE 47 HG22 ILE 47 -7.840 1.939 -3.205 402 HG23 ILE 47 HG23 ILE 47 -7.396 3.367 -2.269 403 HD11 ILE 47 HD11 ILE 47 -4.565 0.874 -4.109 404 HD12 ILE 47 HD12 ILE 47 -6.168 1.605 -4.186 405 HD13 ILE 47 HD13 ILE 47 -5.984 -0.059 -3.629 406 H GLY 48 H GLY 48 -4.471 2.898 1.339 407 HA2 GLY 48 HA2 GLY 48 -4.802 5.705 0.842 408 HA3 GLY 48 HA3 GLY 48 -3.513 4.951 1.767 409 H LEU 49 H LEU 49 -4.616 5.110 -1.614 410 HA LEU 49 HA LEU 49 -2.024 4.771 -2.703 411 HB2 LEU 49 HB2 LEU 49 -4.019 4.292 -4.004 412 HB3 LEU 49 HB3 LEU 49 -4.516 5.971 -3.909 413 HG LEU 49 HG LEU 49 -2.457 6.585 -5.196 414 HD11 LEU 49 HD11 LEU 49 -1.311 4.808 -6.438 415 HD12 LEU 49 HD12 LEU 49 -2.234 3.601 -5.544 416 HD13 LEU 49 HD13 LEU 49 -1.095 4.645 -4.696 417 HD21 LEU 49 HD21 LEU 49 -3.329 5.857 -7.354 418 HD22 LEU 49 HD22 LEU 49 -4.629 6.390 -6.286 419 HD23 LEU 49 HD23 LEU 49 -4.349 4.667 -6.546 420 H THR 50 H THR 50 -0.417 6.142 -2.446 421 HA THR 50 HA THR 50 -1.003 9.017 -2.349 422 HB THR 50 HB THR 50 1.477 7.567 -1.390 423 HG1 THR 50 HG1 THR 50 -0.391 7.126 -0.105 424 HG21 THR 50 HG21 THR 50 0.576 10.431 -1.036 425 HG22 THR 50 HG22 THR 50 1.921 9.879 -2.034 426 HG23 THR 50 HG23 THR 50 1.993 9.703 -0.281 427 H VAL 51 H VAL 51 -1.052 9.476 -4.510 428 HA VAL 51 HA VAL 51 1.356 8.848 -6.057 429 HB VAL 51 HB VAL 51 -0.611 8.062 -7.170 430 HG11 VAL 51 HG11 VAL 51 -2.306 9.402 -6.077 431 HG12 VAL 51 HG12 VAL 51 -2.462 9.538 -7.830 432 HG13 VAL 51 HG13 VAL 51 -1.729 10.849 -6.906 433 HG21 VAL 51 HG21 VAL 51 1.105 9.049 -8.599 434 HG22 VAL 51 HG22 VAL 51 0.296 10.613 -8.494 435 HG23 VAL 51 HG23 VAL 51 -0.504 9.257 -9.289 436 H ALA 52 H ALA 52 2.724 10.393 -5.348 437 HA ALA 52 HA ALA 52 2.068 13.093 -4.888 438 HB1 ALA 52 HB1 ALA 52 4.760 11.849 -5.442 439 HB2 ALA 52 HB2 ALA 52 4.002 12.034 -3.860 440 HB3 ALA 52 HB3 ALA 52 4.488 13.461 -4.776 441 H LYS 53 H LYS 53 2.280 14.910 -6.122 442 HA LYS 53 HA LYS 53 2.042 14.462 -8.957 443 HB2 LYS 53 HB2 LYS 53 1.936 17.057 -7.407 444 HB3 LYS 53 HB3 LYS 53 1.451 16.830 -9.083 445 HG2 LYS 53 HG2 LYS 53 -0.265 15.207 -8.296 446 HG3 LYS 53 HG3 LYS 53 0.161 15.635 -6.643 447 HD2 LYS 53 HD2 LYS 53 -0.895 17.532 -8.737 448 HD3 LYS 53 HD3 LYS 53 -1.837 16.826 -7.426 449 HE2 LYS 53 HE2 LYS 53 -1.334 18.818 -6.457 450 HE3 LYS 53 HE3 LYS 53 0.104 17.920 -5.971 451 HZ1 LYS 53 HZ1 LYS 53 0.611 20.124 -6.896 452 HZ2 LYS 53 HZ2 LYS 53 -0.071 19.657 -8.376 453 HZ3 LYS 53 HZ3 LYS 53 1.316 18.879 -7.799 454 H LYS 54 H LYS 54 4.619 15.067 -6.884 455 HA LYS 54 HA LYS 54 6.268 16.334 -8.912 456 HB2 LYS 54 HB2 LYS 54 8.057 16.251 -7.337 457 HB3 LYS 54 HB3 LYS 54 6.617 16.679 -6.423 458 HG2 LYS 54 HG2 LYS 54 6.437 14.479 -5.526 459 HG3 LYS 54 HG3 LYS 54 7.683 13.871 -6.613 460 HD2 LYS 54 HD2 LYS 54 8.661 14.150 -4.453 461 HD3 LYS 54 HD3 LYS 54 9.299 15.413 -5.505 462 HE2 LYS 54 HE2 LYS 54 8.745 16.306 -3.319 463 HE3 LYS 54 HE3 LYS 54 7.705 17.004 -4.561 464 HZ1 LYS 54 HZ1 LYS 54 6.508 16.355 -2.522 465 HZ2 LYS 54 HZ2 LYS 54 6.925 14.735 -2.807 466 HZ3 LYS 54 HZ3 LYS 54 5.932 15.560 -3.900 467 H ASN 55 H ASN 55 5.385 13.184 -7.845 468 HA ASN 55 HA ASN 55 7.632 11.869 -9.111 469 HB2 ASN 55 HB2 ASN 55 5.157 10.764 -7.759 470 HB3 ASN 55 HB3 ASN 55 6.444 9.768 -8.429 471 HD21 ASN 55 HD21 ASN 55 5.633 9.707 -5.752 472 HD22 ASN 55 HD22 ASN 55 6.946 10.276 -4.770 473 H VAL 56 H VAL 56 4.265 12.531 -9.699 474 HA VAL 56 HA VAL 56 4.626 11.518 -12.442 475 HB VAL 56 HB VAL 56 1.989 11.773 -10.984 476 HG11 VAL 56 HG11 VAL 56 2.707 10.553 -13.647 477 HG12 VAL 56 HG12 VAL 56 1.762 12.016 -13.378 478 HG13 VAL 56 HG13 VAL 56 1.123 10.449 -12.882 479 HG21 VAL 56 HG21 VAL 56 1.986 9.311 -10.910 480 HG22 VAL 56 HG22 VAL 56 3.297 10.010 -9.960 481 HG23 VAL 56 HG23 VAL 56 3.633 9.305 -11.540 482 H ARG 57 H ARG 57 5.234 13.330 -13.478 483 HA ARG 57 HA ARG 57 4.116 15.912 -12.916 484 HB2 ARG 57 HB2 ARG 57 5.788 15.051 -15.287 485 HB3 ARG 57 HB3 ARG 57 5.495 16.700 -14.764 486 HG2 ARG 57 HG2 ARG 57 6.942 14.650 -13.107 487 HG3 ARG 57 HG3 ARG 57 7.738 15.798 -14.183 488 HD2 ARG 57 HD2 ARG 57 6.670 17.644 -12.891 489 HD3 ARG 57 HD3 ARG 57 6.063 16.434 -11.759 490 HE ARG 57 HE ARG 57 8.768 15.981 -11.917 491 HH11 ARG 57 HH11 ARG 57 6.757 18.708 -11.029 492 HH12 ARG 57 HH12 ARG 57 7.911 19.357 -9.912 493 HH21 ARG 57 HH21 ARG 57 10.291 16.845 -10.449 494 HH22 ARG 57 HH22 ARG 57 9.914 18.293 -9.571 495 H ARG 58 H ARG 58 3.003 13.280 -14.584 496 HA ARG 58 HA ARG 58 1.784 14.637 -16.818 497 HB2 ARG 58 HB2 ARG 58 1.553 11.805 -15.791 498 HB3 ARG 58 HB3 ARG 58 0.764 12.394 -17.245 499 HG2 ARG 58 HG2 ARG 58 3.740 12.359 -16.798 500 HG3 ARG 58 HG3 ARG 58 2.832 11.147 -17.703 501 HD2 ARG 58 HD2 ARG 58 3.040 14.082 -18.362 502 HD3 ARG 58 HD3 ARG 58 3.867 12.770 -19.197 503 HE ARG 58 HE ARG 58 0.975 12.550 -19.143 504 HH11 ARG 58 HH11 ARG 58 3.790 13.705 -20.890 505 HH12 ARG 58 HH12 ARG 58 2.956 13.837 -22.404 506 HH21 ARG 58 HH21 ARG 58 -0.129 12.739 -21.140 507 HH22 ARG 58 HH22 ARG 58 0.726 13.292 -22.551 508 H ALA 59 H ALA 59 -0.683 13.738 -17.114 509 HA ALA 59 HA ALA 59 -2.104 14.687 -14.707 510 HB1 ALA 59 HB1 ALA 59 -3.795 15.649 -16.160 511 HB2 ALA 59 HB2 ALA 59 -2.928 15.069 -17.582 512 HB3 ALA 59 HB3 ALA 59 -2.203 16.301 -16.548 513 H HIS 60 H HIS 60 -3.212 13.165 -17.725 514 HA HIS 60 HA HIS 60 -5.185 11.620 -16.424 515 HB2 HIS 60 HB2 HIS 60 -5.406 12.232 -18.781 516 HB3 HIS 60 HB3 HIS 60 -3.966 11.301 -19.180 517 HD1 HIS 60 HD1 HIS 60 -4.704 9.324 -20.455 518 HD2 HIS 60 HD2 HIS 60 -7.244 10.133 -17.265 519 HE1 HIS 60 HE1 HIS 60 -6.380 7.446 -20.429 520 HE2 HIS 60 HE2 HIS 60 -7.895 7.938 -18.473 521 H GLU 61 H GLU 61 -1.851 11.107 -17.055 522 HA GLU 61 HA GLU 61 -1.785 8.293 -16.946 523 HB2 GLU 61 HB2 GLU 61 0.331 10.366 -16.359 524 HB3 GLU 61 HB3 GLU 61 0.650 8.639 -16.421 525 HG2 GLU 61 HG2 GLU 61 1.285 9.717 -18.501 526 HG3 GLU 61 HG3 GLU 61 -0.034 8.579 -18.761 527 H ARG 62 H ARG 62 -2.193 10.675 -14.501 528 HA ARG 62 HA ARG 62 -1.275 9.088 -12.295 529 HB2 ARG 62 HB2 ARG 62 -3.202 11.423 -12.299 530 HB3 ARG 62 HB3 ARG 62 -2.394 10.753 -10.888 531 HG2 ARG 62 HG2 ARG 62 -0.225 11.406 -11.850 532 HG3 ARG 62 HG3 ARG 62 -1.073 12.130 -13.218 533 HD2 ARG 62 HD2 ARG 62 -0.513 13.859 -11.653 534 HD3 ARG 62 HD3 ARG 62 -2.259 13.617 -11.632 535 HE ARG 62 HE ARG 62 -0.538 12.377 -9.592 536 HH11 ARG 62 HH11 ARG 62 -3.211 14.440 -10.492 537 HH12 ARG 62 HH12 ARG 62 -3.751 14.663 -8.854 538 HH21 ARG 62 HH21 ARG 62 -1.223 12.706 -7.421 539 HH22 ARG 62 HH22 ARG 62 -2.627 13.689 -7.122 540 H ASN 63 H ASN 63 -4.287 9.552 -14.002 541 HA ASN 63 HA ASN 63 -5.960 8.133 -12.207 542 HB2 ASN 63 HB2 ASN 63 -6.300 8.554 -15.189 543 HB3 ASN 63 HB3 ASN 63 -7.564 8.083 -14.058 544 HD21 ASN 63 HD21 ASN 63 -8.426 9.608 -12.671 545 HD22 ASN 63 HD22 ASN 63 -8.150 11.307 -12.861 546 H ARG 64 H ARG 64 -3.895 7.232 -14.876 547 HA ARG 64 HA ARG 64 -4.709 4.591 -15.300 548 HB2 ARG 64 HB2 ARG 64 -3.162 5.723 -16.784 549 HB3 ARG 64 HB3 ARG 64 -1.977 5.871 -15.500 550 HG2 ARG 64 HG2 ARG 64 -1.311 4.141 -17.023 551 HG3 ARG 64 HG3 ARG 64 -1.734 3.422 -15.472 552 HD2 ARG 64 HD2 ARG 64 -3.805 2.620 -16.314 553 HD3 ARG 64 HD3 ARG 64 -3.653 3.581 -17.786 554 HE ARG 64 HE ARG 64 -1.644 2.103 -18.248 555 HH11 ARG 64 HH11 ARG 64 -4.460 0.992 -16.466 556 HH12 ARG 64 HH12 ARG 64 -4.200 -0.679 -16.879 557 HH21 ARG 64 HH21 ARG 64 -1.333 -0.076 -18.790 558 HH22 ARG 64 HH22 ARG 64 -2.436 -1.279 -18.198 559 H ILE 65 H ILE 65 -2.333 5.918 -13.025 560 HA ILE 65 HA ILE 65 -1.609 3.442 -11.846 561 HB ILE 65 HB ILE 65 -1.489 6.202 -10.607 562 HG12 ILE 65 HG12 ILE 65 -0.302 6.130 -12.758 563 HG13 ILE 65 HG13 ILE 65 0.826 6.282 -11.417 564 HG21 ILE 65 HG21 ILE 65 0.317 5.249 -9.228 565 HG22 ILE 65 HG22 ILE 65 0.006 3.668 -9.942 566 HG23 ILE 65 HG23 ILE 65 -1.229 4.446 -8.955 567 HD11 ILE 65 HD11 ILE 65 1.364 3.920 -11.576 568 HD12 ILE 65 HD12 ILE 65 1.631 4.732 -13.120 569 HD13 ILE 65 HD13 ILE 65 0.199 3.731 -12.886 570 H LYS 66 H LYS 66 -4.040 5.875 -11.112 571 HA LYS 66 HA LYS 66 -4.851 4.852 -8.619 572 HB2 LYS 66 HB2 LYS 66 -5.380 7.115 -9.226 573 HB3 LYS 66 HB3 LYS 66 -6.295 6.582 -10.629 574 HG2 LYS 66 HG2 LYS 66 -8.016 5.689 -9.264 575 HG3 LYS 66 HG3 LYS 66 -7.058 5.916 -7.801 576 HD2 LYS 66 HD2 LYS 66 -8.066 8.136 -9.584 577 HD3 LYS 66 HD3 LYS 66 -8.811 7.634 -8.064 578 HE2 LYS 66 HE2 LYS 66 -6.720 8.177 -6.886 579 HE3 LYS 66 HE3 LYS 66 -6.022 8.721 -8.410 580 HZ1 LYS 66 HZ1 LYS 66 -8.400 9.909 -7.079 581 HZ2 LYS 66 HZ2 LYS 66 -7.719 10.434 -8.544 582 HZ3 LYS 66 HZ3 LYS 66 -6.839 10.571 -7.102 583 H ARG 67 H ARG 67 -6.051 4.268 -11.905 584 HA ARG 67 HA ARG 67 -8.239 2.640 -11.101 585 HB2 ARG 67 HB2 ARG 67 -6.765 2.737 -13.741 586 HB3 ARG 67 HB3 ARG 67 -8.303 1.931 -13.472 587 HG2 ARG 67 HG2 ARG 67 -9.330 4.081 -12.918 588 HG3 ARG 67 HG3 ARG 67 -7.784 4.885 -13.199 589 HD2 ARG 67 HD2 ARG 67 -9.143 5.134 -15.162 590 HD3 ARG 67 HD3 ARG 67 -7.818 4.030 -15.526 591 HE ARG 67 HE ARG 67 -10.287 2.763 -14.703 592 HH11 ARG 67 HH11 ARG 67 -8.313 3.841 -17.387 593 HH12 ARG 67 HH12 ARG 67 -9.132 2.852 -18.556 594 HH21 ARG 67 HH21 ARG 67 -11.367 1.462 -16.224 595 HH22 ARG 67 HH22 ARG 67 -10.878 1.487 -17.896 596 H LEU 68 H LEU 68 -4.885 1.986 -11.873 597 HA LEU 68 HA LEU 68 -5.122 -0.826 -12.139 598 HB2 LEU 68 HB2 LEU 68 -3.256 0.729 -12.939 599 HB3 LEU 68 HB3 LEU 68 -2.654 0.686 -11.299 600 HG LEU 68 HG LEU 68 -1.503 -0.844 -12.936 601 HD11 LEU 68 HD11 LEU 68 -2.770 -2.145 -10.534 602 HD12 LEU 68 HD12 LEU 68 -1.290 -1.187 -10.542 603 HD13 LEU 68 HD13 LEU 68 -1.347 -2.729 -11.396 604 HD21 LEU 68 HD21 LEU 68 -3.490 -1.568 -14.160 605 HD22 LEU 68 HD22 LEU 68 -4.071 -2.409 -12.723 606 HD23 LEU 68 HD23 LEU 68 -2.587 -2.939 -13.517 607 H THR 69 H THR 69 -4.179 1.268 -9.434 608 HA THR 69 HA THR 69 -3.530 -0.911 -7.709 609 HB THR 69 HB THR 69 -3.518 0.941 -5.937 610 HG1 THR 69 HG1 THR 69 -3.507 2.699 -8.153 611 HG21 THR 69 HG21 THR 69 -1.758 1.196 -8.380 612 HG22 THR 69 HG22 THR 69 -1.485 0.122 -7.008 613 HG23 THR 69 HG23 THR 69 -1.405 1.870 -6.789 614 H ARG 70 H ARG 70 -6.386 1.111 -8.153 615 HA ARG 70 HA ARG 70 -7.655 0.369 -5.710 616 HB2 ARG 70 HB2 ARG 70 -9.543 1.569 -6.482 617 HB3 ARG 70 HB3 ARG 70 -8.152 2.427 -7.129 618 HG2 ARG 70 HG2 ARG 70 -8.493 1.201 -9.277 619 HG3 ARG 70 HG3 ARG 70 -9.987 0.553 -8.607 620 HD2 ARG 70 HD2 ARG 70 -9.314 3.435 -9.156 621 HD3 ARG 70 HD3 ARG 70 -10.536 2.449 -9.954 622 HE ARG 70 HE ARG 70 -10.751 3.082 -7.089 623 HH11 ARG 70 HH11 ARG 70 -12.097 3.086 -10.326 624 HH12 ARG 70 HH12 ARG 70 -13.609 3.792 -9.836 625 HH21 ARG 70 HH21 ARG 70 -12.740 4.023 -6.440 626 HH22 ARG 70 HH22 ARG 70 -13.966 4.346 -7.625 627 H GLU 71 H GLU 71 -6.970 -1.478 -8.316 628 HA GLU 71 HA GLU 71 -9.508 -2.933 -8.372 629 HB2 GLU 71 HB2 GLU 71 -8.171 -2.119 -10.455 630 HB3 GLU 71 HB3 GLU 71 -7.139 -3.506 -10.127 631 HG2 GLU 71 HG2 GLU 71 -8.681 -4.233 -11.723 632 HG3 GLU 71 HG3 GLU 71 -9.245 -4.905 -10.193 633 H SER 72 H SER 72 -6.029 -3.734 -8.372 634 HA SER 72 HA SER 72 -6.401 -6.460 -7.911 635 HB2 SER 72 HB2 SER 72 -3.909 -6.326 -7.263 636 HB3 SER 72 HB3 SER 72 -4.373 -5.837 -8.894 637 HG SER 72 HG SER 72 -2.943 -4.350 -7.798 638 H PHE 73 H PHE 73 -5.753 -3.834 -5.621 639 HA PHE 73 HA PHE 73 -5.354 -5.567 -3.390 640 HB2 PHE 73 HB2 PHE 73 -5.933 -2.610 -3.554 641 HB3 PHE 73 HB3 PHE 73 -5.600 -3.457 -2.045 642 HD1 PHE 73 HD1 PHE 73 -3.378 -4.575 -1.749 643 HD2 PHE 73 HD2 PHE 73 -4.198 -1.909 -4.960 644 HE1 PHE 73 HE1 PHE 73 -0.964 -4.266 -2.106 645 HE2 PHE 73 HE2 PHE 73 -1.788 -1.593 -5.322 646 HZ PHE 73 HZ PHE 73 -0.166 -2.775 -3.894 647 H ARG 74 H ARG 74 -8.125 -4.021 -4.808 648 HA ARG 74 HA ARG 74 -9.773 -4.349 -2.464 649 HB2 ARG 74 HB2 ARG 74 -10.237 -2.381 -3.610 650 HB3 ARG 74 HB3 ARG 74 -10.130 -3.151 -5.184 651 HG2 ARG 74 HG2 ARG 74 -12.310 -4.203 -3.576 652 HG3 ARG 74 HG3 ARG 74 -12.436 -2.462 -3.853 653 HD2 ARG 74 HD2 ARG 74 -12.184 -2.813 -6.251 654 HD3 ARG 74 HD3 ARG 74 -12.010 -4.545 -5.992 655 HE ARG 74 HE ARG 74 -14.427 -3.933 -4.878 656 HH11 ARG 74 HH11 ARG 74 -12.981 -3.479 -8.043 657 HH12 ARG 74 HH12 ARG 74 -14.491 -3.620 -8.891 658 HH21 ARG 74 HH21 ARG 74 -16.404 -4.110 -5.984 659 HH22 ARG 74 HH22 ARG 74 -16.442 -3.962 -7.714 660 H LEU 75 H LEU 75 -9.151 -6.123 -5.388 661 HA LEU 75 HA LEU 75 -11.627 -7.597 -5.301 662 HB2 LEU 75 HB2 LEU 75 -9.280 -7.493 -7.070 663 HB3 LEU 75 HB3 LEU 75 -10.049 -9.062 -6.956 664 HG LEU 75 HG LEU 75 -10.926 -7.853 -8.855 665 HD11 LEU 75 HD11 LEU 75 -13.309 -7.939 -8.353 666 HD12 LEU 75 HD12 LEU 75 -12.952 -7.966 -6.625 667 HD13 LEU 75 HD13 LEU 75 -12.462 -9.318 -7.647 668 HD21 LEU 75 HD21 LEU 75 -12.199 -5.775 -8.562 669 HD22 LEU 75 HD22 LEU 75 -10.499 -5.583 -8.140 670 HD23 LEU 75 HD23 LEU 75 -11.711 -5.730 -6.868 671 H ARG 76 H ARG 76 -9.125 -7.771 -3.244 672 HA ARG 76 HA ARG 76 -9.522 -10.661 -2.858 673 HB2 ARG 76 HB2 ARG 76 -6.914 -9.151 -2.795 674 HB3 ARG 76 HB3 ARG 76 -7.112 -10.710 -2.007 675 HG2 ARG 76 HG2 ARG 76 -7.435 -10.133 -4.943 676 HG3 ARG 76 HG3 ARG 76 -6.100 -10.997 -4.177 677 HD2 ARG 76 HD2 ARG 76 -7.689 -12.716 -3.409 678 HD3 ARG 76 HD3 ARG 76 -8.989 -11.866 -4.242 679 HE ARG 76 HE ARG 76 -6.817 -13.396 -5.468 680 HH11 ARG 76 HH11 ARG 76 -9.713 -11.456 -5.832 681 HH12 ARG 76 HH12 ARG 76 -9.941 -11.886 -7.498 682 HH21 ARG 76 HH21 ARG 76 -7.133 -13.972 -7.656 683 HH22 ARG 76 HH22 ARG 76 -8.478 -13.314 -8.535 684 H GLN 77 H GLN 77 -10.744 -8.279 -1.640 685 HA GLN 77 HA GLN 77 -9.459 -7.717 0.836 686 HB2 GLN 77 HB2 GLN 77 -11.145 -6.287 -0.552 687 HB3 GLN 77 HB3 GLN 77 -12.365 -7.166 0.359 688 HG2 GLN 77 HG2 GLN 77 -11.893 -5.059 1.427 689 HG3 GLN 77 HG3 GLN 77 -11.346 -6.387 2.451 690 HE21 GLN 77 HE21 GLN 77 -9.133 -6.754 2.693 691 HE22 GLN 77 HE22 GLN 77 -7.962 -5.553 2.280 692 H HIS 78 H HIS 78 -11.113 -10.443 -0.090 693 HA HIS 78 HA HIS 78 -12.378 -10.913 2.478 694 HB2 HIS 78 HB2 HIS 78 -12.342 -12.313 -0.136 695 HB3 HIS 78 HB3 HIS 78 -12.591 -13.308 1.296 696 HD1 HIS 78 HD1 HIS 78 -14.321 -11.004 -0.989 697 HD2 HIS 78 HD2 HIS 78 -14.919 -12.563 2.827 698 HE1 HIS 78 HE1 HIS 78 -16.746 -10.582 -0.449 699 HE2 HIS 78 HE2 HIS 78 -17.027 -11.363 1.933 700 H GLU 79 H GLU 79 -9.401 -11.721 0.856 701 HA GLU 79 HA GLU 79 -8.706 -13.470 3.111 702 HB2 GLU 79 HB2 GLU 79 -8.518 -14.539 0.920 703 HB3 GLU 79 HB3 GLU 79 -7.411 -13.281 0.386 704 HG2 GLU 79 HG2 GLU 79 -5.686 -14.051 1.724 705 HG3 GLU 79 HG3 GLU 79 -6.776 -14.921 2.800 706 H LEU 80 H LEU 80 -7.894 -10.522 1.470 707 HA LEU 80 HA LEU 80 -5.455 -10.083 2.912 708 HB2 LEU 80 HB2 LEU 80 -7.259 -8.119 1.481 709 HB3 LEU 80 HB3 LEU 80 -5.651 -7.766 2.082 710 HG LEU 80 HG LEU 80 -6.327 -9.710 -0.124 711 HD11 LEU 80 HD11 LEU 80 -6.590 -7.378 -0.776 712 HD12 LEU 80 HD12 LEU 80 -5.195 -8.106 -1.572 713 HD13 LEU 80 HD13 LEU 80 -4.963 -7.024 -0.199 714 HD21 LEU 80 HD21 LEU 80 -4.399 -10.462 1.161 715 HD22 LEU 80 HD22 LEU 80 -3.648 -8.877 0.983 716 HD23 LEU 80 HD23 LEU 80 -3.907 -9.893 -0.435 717 HA PRO 81 HA PRO 81 -7.325 -9.383 6.842 718 HB2 PRO 81 HB2 PRO 81 -4.902 -7.711 7.279 719 HB3 PRO 81 HB3 PRO 81 -5.541 -9.042 8.250 720 HG2 PRO 81 HG2 PRO 81 -3.406 -9.401 6.711 721 HG3 PRO 81 HG3 PRO 81 -4.643 -10.664 6.854 722 HD2 PRO 81 HD2 PRO 81 -4.153 -8.733 4.627 723 HD3 PRO 81 HD3 PRO 81 -4.642 -10.438 4.552 724 H ALA 82 H ALA 82 -8.461 -7.844 7.927 725 HA ALA 82 HA ALA 82 -9.070 -5.424 6.510 726 HB1 ALA 82 HB1 ALA 82 -10.816 -6.671 7.684 727 HB2 ALA 82 HB2 ALA 82 -10.687 -5.024 8.303 728 HB3 ALA 82 HB3 ALA 82 -10.006 -6.367 9.221 729 H MET 83 H MET 83 -6.800 -4.690 6.622 730 HA MET 83 HA MET 83 -6.484 -2.937 8.951 731 HB2 MET 83 HB2 MET 83 -4.069 -3.305 8.962 732 HB3 MET 83 HB3 MET 83 -4.923 -4.812 9.253 733 HG2 MET 83 HG2 MET 83 -4.572 -5.445 6.908 734 HG3 MET 83 HG3 MET 83 -3.682 -3.944 6.651 735 HE1 MET 83 HE1 MET 83 -1.544 -5.260 5.732 736 HE2 MET 83 HE2 MET 83 -2.469 -6.753 5.903 737 HE3 MET 83 HE3 MET 83 -0.839 -6.643 6.568 738 H ASP 84 H ASP 84 -5.724 -0.918 8.477 739 HA ASP 84 HA ASP 84 -6.051 -0.096 5.743 740 HB2 ASP 84 HB2 ASP 84 -5.329 1.553 8.176 741 HB3 ASP 84 HB3 ASP 84 -5.880 2.174 6.623 742 H PHE 85 H PHE 85 -4.500 0.377 4.315 743 HA PHE 85 HA PHE 85 -1.758 0.756 5.241 744 HB2 PHE 85 HB2 PHE 85 -0.922 -0.805 3.481 745 HB3 PHE 85 HB3 PHE 85 -1.825 -1.606 4.758 746 HD1 PHE 85 HD2 PHE 85 -1.843 -0.619 1.225 747 HD2 PHE 85 HD1 PHE 85 -3.937 -2.668 4.312 748 HE1 PHE 85 HE2 PHE 85 -3.295 -1.673 -0.460 749 HE2 PHE 85 HE1 PHE 85 -5.385 -3.731 2.633 750 HZ PHE 85 HZ PHE 85 -5.067 -3.230 0.242 751 H VAL 86 H VAL 86 -0.373 1.768 3.679 752 HA VAL 86 HA VAL 86 -1.897 3.277 1.661 753 HB VAL 86 HB VAL 86 -0.243 5.106 1.942 754 HG11 VAL 86 HG11 VAL 86 -2.390 5.202 3.088 755 HG12 VAL 86 HG12 VAL 86 -1.126 5.940 4.073 756 HG13 VAL 86 HG13 VAL 86 -1.713 4.321 4.459 757 HG21 VAL 86 HG21 VAL 86 1.181 5.121 3.961 758 HG22 VAL 86 HG22 VAL 86 1.636 3.857 2.822 759 HG23 VAL 86 HG23 VAL 86 0.722 3.447 4.272 760 H VAL 87 H VAL 87 -0.998 3.606 -0.342 761 HA VAL 87 HA VAL 87 1.433 2.040 -0.943 762 HB VAL 87 HB VAL 87 -0.923 2.489 -2.796 763 HG11 VAL 87 HG11 VAL 87 1.545 0.782 -3.106 764 HG12 VAL 87 HG12 VAL 87 1.187 2.269 -3.984 765 HG13 VAL 87 HG13 VAL 87 0.188 0.837 -4.229 766 HG21 VAL 87 HG21 VAL 87 -1.365 0.083 -2.512 767 HG22 VAL 87 HG22 VAL 87 -1.560 0.985 -1.008 768 HG23 VAL 87 HG23 VAL 87 -0.112 0.016 -1.275 769 H VAL 88 H VAL 88 3.039 3.410 -1.385 770 HA VAL 88 HA VAL 88 2.356 6.067 -2.427 771 HB VAL 88 HB VAL 88 4.974 5.154 -1.222 772 HG11 VAL 88 HG11 VAL 88 5.434 7.554 -1.012 773 HG12 VAL 88 HG12 VAL 88 3.914 7.911 -1.836 774 HG13 VAL 88 HG13 VAL 88 5.208 7.074 -2.695 775 HG21 VAL 88 HG21 VAL 88 4.273 6.361 0.794 776 HG22 VAL 88 HG22 VAL 88 3.189 5.018 0.432 777 HG23 VAL 88 HG23 VAL 88 2.701 6.671 0.058 778 H ALA 89 H ALA 89 2.544 6.333 -4.538 779 HA ALA 89 HA ALA 89 4.311 4.654 -6.115 780 HB1 ALA 89 HB1 ALA 89 3.280 5.708 -8.044 781 HB2 ALA 89 HB2 ALA 89 2.484 6.886 -7.003 782 HB3 ALA 89 HB3 ALA 89 2.032 5.185 -6.910 783 H LYS 90 H LYS 90 6.300 5.222 -6.722 784 HA LYS 90 HA LYS 90 7.263 7.846 -5.887 785 HB2 LYS 90 HB2 LYS 90 8.829 5.453 -6.862 786 HB3 LYS 90 HB3 LYS 90 9.488 6.899 -6.111 787 HG2 LYS 90 HG2 LYS 90 7.625 4.957 -4.760 788 HG3 LYS 90 HG3 LYS 90 9.381 4.970 -4.589 789 HD2 LYS 90 HD2 LYS 90 9.294 7.202 -3.630 790 HD3 LYS 90 HD3 LYS 90 7.543 7.251 -3.859 791 HE2 LYS 90 HE2 LYS 90 8.152 6.708 -1.542 792 HE3 LYS 90 HE3 LYS 90 7.263 5.397 -2.317 793 HZ1 LYS 90 HZ1 LYS 90 9.192 4.630 -1.015 794 HZ2 LYS 90 HZ2 LYS 90 10.225 5.492 -2.051 795 HZ3 LYS 90 HZ3 LYS 90 9.299 4.205 -2.652 796 H LYS 91 H LYS 91 9.166 8.625 -7.344 797 HA LYS 91 HA LYS 91 7.986 9.402 -9.816 798 HB2 LYS 91 HB2 LYS 91 10.394 10.431 -10.095 799 HB3 LYS 91 HB3 LYS 91 9.243 11.121 -8.962 800 HG2 LYS 91 HG2 LYS 91 10.299 9.861 -7.138 801 HG3 LYS 91 HG3 LYS 91 11.479 9.221 -8.284 802 HD2 LYS 91 HD2 LYS 91 12.384 11.390 -8.684 803 HD3 LYS 91 HD3 LYS 91 11.067 12.166 -7.799 804 HE2 LYS 91 HE2 LYS 91 11.834 11.244 -5.728 805 HE3 LYS 91 HE3 LYS 91 13.031 10.250 -6.556 806 HZ1 LYS 91 HZ1 LYS 91 14.230 12.198 -7.189 807 HZ2 LYS 91 HZ2 LYS 91 13.966 12.262 -5.513 808 HZ3 LYS 91 HZ3 LYS 91 13.036 13.219 -6.553 809 H GLY 92 H GLY 92 7.831 7.987 -11.389 810 HA2 GLY 92 HA2 GLY 92 9.688 7.181 -13.117 811 HA3 GLY 92 HA3 GLY 92 9.910 6.005 -11.830 812 H VAL 93 H VAL 93 7.055 6.013 -11.133 813 HA VAL 93 HA VAL 93 6.228 3.851 -12.720 814 HB VAL 93 HB VAL 93 4.005 4.111 -11.652 815 HG11 VAL 93 HG11 VAL 93 4.757 3.749 -9.347 816 HG12 VAL 93 HG12 VAL 93 6.349 4.379 -9.772 817 HG13 VAL 93 HG13 VAL 93 5.767 2.884 -10.506 818 HG21 VAL 93 HG21 VAL 93 5.207 6.577 -10.392 819 HG22 VAL 93 HG22 VAL 93 3.646 5.863 -9.988 820 HG23 VAL 93 HG23 VAL 93 3.910 6.558 -11.587 821 H ALA 94 H ALA 94 5.843 7.254 -13.194 822 HA ALA 94 HA ALA 94 3.568 7.100 -14.918 823 HB1 ALA 94 HB1 ALA 94 3.950 9.459 -15.316 824 HB2 ALA 94 HB2 ALA 94 5.541 9.347 -14.565 825 HB3 ALA 94 HB3 ALA 94 4.093 9.100 -13.594 826 H ASP 95 H ASP 95 6.899 6.542 -15.347 827 HA ASP 95 HA ASP 95 6.659 7.001 -18.250 828 HB2 ASP 95 HB2 ASP 95 8.362 8.385 -16.978 829 HB3 ASP 95 HB3 ASP 95 9.231 6.888 -16.661 830 H LEU 96 H LEU 96 5.971 4.645 -16.512 831 HA LEU 96 HA LEU 96 7.818 2.626 -17.489 832 HB2 LEU 96 HB2 LEU 96 5.364 2.429 -15.743 833 HB3 LEU 96 HB3 LEU 96 6.330 1.050 -16.233 834 HG LEU 96 HG LEU 96 7.250 3.352 -14.510 835 HD11 LEU 96 HD11 LEU 96 5.766 1.786 -13.367 836 HD12 LEU 96 HD12 LEU 96 7.416 1.668 -12.760 837 HD13 LEU 96 HD13 LEU 96 6.795 0.444 -13.865 838 HD21 LEU 96 HD21 LEU 96 9.328 2.078 -14.265 839 HD22 LEU 96 HD22 LEU 96 9.058 2.577 -15.933 840 HD23 LEU 96 HD23 LEU 96 8.747 0.910 -15.452 841 H ASP 97 H ASP 97 6.759 0.598 -18.371 842 HA ASP 97 HA ASP 97 5.094 1.381 -20.633 843 HB2 ASP 97 HB2 ASP 97 7.031 0.188 -21.287 844 HB3 ASP 97 HB3 ASP 97 6.810 -1.023 -20.030 845 H ASN 98 H ASN 98 3.195 0.236 -21.211 846 HA ASN 98 HA ASN 98 1.491 -0.307 -19.044 847 HB2 ASN 98 HB2 ASN 98 1.251 -0.494 -22.001 848 HB3 ASN 98 HB3 ASN 98 0.056 -1.345 -21.029 849 HD21 ASN 98 HD21 ASN 98 -0.235 0.966 -22.798 850 HD22 ASN 98 HD22 ASN 98 -0.919 2.222 -21.817 851 H ARG 99 H ARG 99 3.304 -2.493 -21.166 852 HA ARG 99 HA ARG 99 2.020 -4.827 -20.058 853 HB2 ARG 99 HB2 ARG 99 3.080 -4.608 -22.404 854 HB3 ARG 99 HB3 ARG 99 4.618 -4.845 -21.583 855 HG2 ARG 99 HG2 ARG 99 3.762 -6.984 -20.683 856 HG3 ARG 99 HG3 ARG 99 2.288 -6.752 -21.623 857 HD2 ARG 99 HD2 ARG 99 3.632 -8.183 -22.912 858 HD3 ARG 99 HD3 ARG 99 3.790 -6.596 -23.663 859 HE ARG 99 HE ARG 99 5.845 -7.019 -21.752 860 HH11 ARG 99 HH11 ARG 99 4.863 -7.907 -24.993 861 HH12 ARG 99 HH12 ARG 99 6.480 -8.262 -25.516 862 HH21 ARG 99 HH21 ARG 99 7.954 -7.506 -22.421 863 HH22 ARG 99 HH22 ARG 99 8.250 -8.041 -24.048 864 H ALA 100 H ALA 100 4.892 -2.938 -19.509 865 HA ALA 100 HA ALA 100 6.231 -4.666 -17.728 866 HB1 ALA 100 HB1 ALA 100 7.459 -2.710 -17.008 867 HB2 ALA 100 HB2 ALA 100 6.249 -1.647 -17.726 868 HB3 ALA 100 HB3 ALA 100 7.254 -2.664 -18.758 869 H LEU 101 H LEU 101 3.559 -2.448 -17.328 870 HA LEU 101 HA LEU 101 3.476 -2.437 -14.506 871 HB2 LEU 101 HB2 LEU 101 1.233 -2.117 -16.506 872 HB3 LEU 101 HB3 LEU 101 1.097 -1.784 -14.790 873 HG LEU 101 HG LEU 101 2.916 -0.327 -16.711 874 HD11 LEU 101 HD11 LEU 101 1.397 1.553 -16.396 875 HD12 LEU 101 HD12 LEU 101 0.354 0.552 -15.385 876 HD13 LEU 101 HD13 LEU 101 0.558 0.169 -17.095 877 HD21 LEU 101 HD21 LEU 101 3.852 -0.403 -14.465 878 HD22 LEU 101 HD22 LEU 101 2.323 0.162 -13.791 879 HD23 LEU 101 HD23 LEU 101 3.270 1.220 -14.838 880 H SER 102 H SER 102 2.301 -4.667 -16.930 881 HA SER 102 HA SER 102 0.716 -6.250 -15.163 882 HB2 SER 102 HB2 SER 102 0.437 -6.200 -17.655 883 HB3 SER 102 HB3 SER 102 1.967 -7.061 -17.804 884 HG SER 102 HG SER 102 1.056 -8.864 -17.100 885 H GLU 103 H GLU 103 4.059 -6.292 -16.252 886 HA GLU 103 HA GLU 103 4.784 -8.779 -15.092 887 HB2 GLU 103 HB2 GLU 103 6.560 -6.397 -15.652 888 HB3 GLU 103 HB3 GLU 103 7.082 -8.061 -15.428 889 HG2 GLU 103 HG2 GLU 103 5.380 -7.035 -17.683 890 HG3 GLU 103 HG3 GLU 103 7.097 -7.423 -17.770 891 H ALA 104 H ALA 104 4.741 -5.461 -13.946 892 HA ALA 104 HA ALA 104 6.090 -6.100 -11.477 893 HB1 ALA 104 HB1 ALA 104 4.678 -3.561 -12.296 894 HB2 ALA 104 HB2 ALA 104 6.386 -3.913 -12.558 895 HB3 ALA 104 HB3 ALA 104 5.760 -3.760 -10.917 896 H LEU 105 H LEU 105 2.854 -6.051 -12.626 897 HA LEU 105 HA LEU 105 1.402 -5.415 -10.347 898 HB2 LEU 105 HB2 LEU 105 0.540 -5.755 -12.690 899 HB3 LEU 105 HB3 LEU 105 0.636 -7.480 -12.411 900 HG LEU 105 HG LEU 105 -1.651 -6.362 -12.189 901 HD11 LEU 105 HD11 LEU 105 -2.312 -7.775 -10.293 902 HD12 LEU 105 HD12 LEU 105 -0.610 -8.046 -9.918 903 HD13 LEU 105 HD13 LEU 105 -1.281 -8.627 -11.442 904 HD21 LEU 105 HD21 LEU 105 -0.432 -5.449 -9.589 905 HD22 LEU 105 HD22 LEU 105 -2.146 -5.379 -9.997 906 HD23 LEU 105 HD23 LEU 105 -0.983 -4.422 -10.913 907 H GLU 106 H GLU 106 2.691 -8.555 -11.384 908 HA GLU 106 HA GLU 106 1.475 -10.038 -9.293 909 HB2 GLU 106 HB2 GLU 106 2.979 -11.851 -9.963 910 HB3 GLU 106 HB3 GLU 106 2.221 -11.101 -11.361 911 HG2 GLU 106 HG2 GLU 106 4.223 -9.923 -11.902 912 HG3 GLU 106 HG3 GLU 106 4.988 -10.433 -10.398 913 H LYS 107 H LYS 107 4.221 -7.991 -9.354 914 HA LYS 107 HA LYS 107 5.797 -9.422 -7.446 915 HB2 LYS 107 HB2 LYS 107 6.043 -6.487 -8.111 916 HB3 LYS 107 HB3 LYS 107 7.287 -7.554 -7.479 917 HG2 LYS 107 HG2 LYS 107 6.079 -7.617 -10.234 918 HG3 LYS 107 HG3 LYS 107 7.713 -7.121 -9.797 919 HD2 LYS 107 HD2 LYS 107 6.588 -9.885 -9.392 920 HD3 LYS 107 HD3 LYS 107 7.586 -9.397 -10.760 921 HE2 LYS 107 HE2 LYS 107 9.416 -8.857 -9.239 922 HE3 LYS 107 HE3 LYS 107 8.417 -9.318 -7.859 923 HZ1 LYS 107 HZ1 LYS 107 9.904 -11.106 -8.478 924 HZ2 LYS 107 HZ2 LYS 107 9.283 -11.117 -10.059 925 HZ3 LYS 107 HZ3 LYS 107 8.295 -11.565 -8.757 926 H LEU 108 H LEU 108 4.051 -6.305 -7.213 927 HA LEU 108 HA LEU 108 4.388 -6.236 -4.378 928 HB2 LEU 108 HB2 LEU 108 3.188 -4.203 -4.376 929 HB3 LEU 108 HB3 LEU 108 4.169 -4.198 -5.825 930 HG LEU 108 HG LEU 108 1.248 -4.944 -5.864 931 HD11 LEU 108 HD11 LEU 108 0.800 -2.648 -6.582 932 HD12 LEU 108 HD12 LEU 108 2.486 -2.225 -6.285 933 HD13 LEU 108 HD13 LEU 108 1.445 -2.698 -4.943 934 HD21 LEU 108 HD21 LEU 108 2.559 -5.623 -7.803 935 HD22 LEU 108 HD22 LEU 108 3.135 -3.968 -8.001 936 HD23 LEU 108 HD23 LEU 108 1.425 -4.339 -8.219 937 H TRP 109 H TRP 109 1.949 -7.457 -6.527 938 HA TRP 109 HA TRP 109 -0.157 -7.600 -4.628 939 HB2 TRP 109 HB2 TRP 109 -0.451 -7.705 -7.114 940 HB3 TRP 109 HB3 TRP 109 0.234 -9.325 -7.080 941 HD1 TRP 109 HD1 TRP 109 -2.838 -7.398 -5.743 942 HE1 TRP 109 HE1 TRP 109 -4.777 -9.069 -5.484 943 HE3 TRP 109 HE3 TRP 109 -0.348 -11.714 -6.904 944 HZ2 TRP 109 HZ2 TRP 109 -5.194 -11.856 -5.746 945 HZ3 TRP 109 HZ3 TRP 109 -1.593 -13.836 -6.882 946 HH2 TRP 109 HH2 TRP 109 -3.965 -13.902 -6.314 947 H ARG 110 H ARG 110 2.162 -10.034 -5.831 948 HA ARG 110 HA ARG 110 1.245 -12.050 -4.043 949 HB2 ARG 110 HB2 ARG 110 2.338 -12.654 -6.117 950 HB3 ARG 110 HB3 ARG 110 3.806 -11.827 -5.623 951 HG2 ARG 110 HG2 ARG 110 4.469 -13.514 -4.264 952 HG3 ARG 110 HG3 ARG 110 2.818 -13.974 -3.844 953 HD2 ARG 110 HD2 ARG 110 4.024 -15.659 -5.222 954 HD3 ARG 110 HD3 ARG 110 2.522 -15.085 -5.938 955 HE ARG 110 HE ARG 110 5.005 -13.808 -6.785 956 HH11 ARG 110 HH11 ARG 110 2.433 -16.078 -7.467 957 HH12 ARG 110 HH12 ARG 110 2.709 -16.092 -9.184 958 HH21 ARG 110 HH21 ARG 110 5.386 -13.823 -9.055 959 HH22 ARG 110 HH22 ARG 110 4.401 -14.822 -10.082 960 H ARG 111 H ARG 111 3.760 -9.605 -3.887 961 HA ARG 111 HA ARG 111 5.002 -10.443 -1.509 962 HB2 ARG 111 HB2 ARG 111 5.932 -8.666 -2.913 963 HB3 ARG 111 HB3 ARG 111 4.545 -7.644 -2.563 964 HG2 ARG 111 HG2 ARG 111 6.494 -6.970 -1.270 965 HG3 ARG 111 HG3 ARG 111 5.195 -7.535 -0.219 966 HD2 ARG 111 HD2 ARG 111 7.385 -8.370 0.492 967 HD3 ARG 111 HD3 ARG 111 6.296 -9.679 0.033 968 HE ARG 111 HE ARG 111 7.953 -8.844 -2.138 969 HH11 ARG 111 HH11 ARG 111 7.937 -10.745 0.802 970 HH12 ARG 111 HH12 ARG 111 9.127 -11.875 0.223 971 HH21 ARG 111 HH21 ARG 111 9.562 -10.295 -2.875 972 HH22 ARG 111 HH22 ARG 111 10.108 -11.571 -1.830 973 H HIS 112 H HIS 112 2.042 -8.666 -2.130 974 HA HIS 112 HA HIS 112 1.593 -8.083 0.661 975 HB2 HIS 112 HB2 HIS 112 0.832 -6.563 -1.167 976 HB3 HIS 112 HB3 HIS 112 -0.313 -7.799 -1.673 977 HD1 HIS 112 HD1 HIS 112 -2.544 -6.928 -1.031 978 HD2 HIS 112 HD2 HIS 112 0.267 -6.373 1.980 979 HE1 HIS 112 HE1 HIS 112 -3.817 -5.947 0.903 980 HE2 HIS 112 HE2 HIS 112 -2.129 -5.793 2.768 981 H CYS 113 H CYS 113 0.941 -10.679 -1.490 982 HA CYS 113 HA CYS 113 -1.227 -11.834 -0.035 983 HB2 CYS 113 HB2 CYS 113 0.798 -13.114 -1.887 984 HB3 CYS 113 HB3 CYS 113 -0.640 -13.914 -1.266 985 HG CYS 113 HG CYS 113 -0.756 -11.102 -3.209 986 H ARG 114 H ARG 114 2.282 -12.170 0.005 987 HA ARG 114 HA ARG 114 2.481 -14.095 2.037 988 HB2 ARG 114 HB2 ARG 114 4.454 -13.638 0.818 989 HB3 ARG 114 HB3 ARG 114 4.330 -11.908 1.101 990 HG2 ARG 114 HG2 ARG 114 6.127 -12.928 2.398 991 HG3 ARG 114 HG3 ARG 114 4.889 -12.215 3.433 992 HD2 ARG 114 HD2 ARG 114 3.880 -14.539 3.580 993 HD3 ARG 114 HD3 ARG 114 5.368 -15.127 2.840 994 HE ARG 114 HE ARG 114 6.223 -13.621 4.941 995 HH11 ARG 114 HH11 ARG 114 4.025 -16.326 4.599 996 HH12 ARG 114 HH12 ARG 114 4.313 -16.925 6.211 997 HH21 ARG 114 HH21 ARG 114 6.579 -14.393 7.069 998 HH22 ARG 114 HH22 ARG 114 5.777 -15.842 7.594 999 H LEU 115 H LEU 115 2.718 -10.535 2.258 1000 HA LEU 115 HA LEU 115 2.447 -10.634 5.129 1001 HB2 LEU 115 HB2 LEU 115 3.777 -8.888 3.845 1002 HB3 LEU 115 HB3 LEU 115 2.234 -8.180 3.396 1003 HG LEU 115 HG LEU 115 1.724 -7.975 5.857 1004 HD11 LEU 115 HD11 LEU 115 3.625 -8.032 7.394 1005 HD12 LEU 115 HD12 LEU 115 4.648 -8.644 6.095 1006 HD13 LEU 115 HD13 LEU 115 3.301 -9.616 6.687 1007 HD21 LEU 115 HD21 LEU 115 3.106 -5.978 6.146 1008 HD22 LEU 115 HD22 LEU 115 2.435 -6.069 4.517 1009 HD23 LEU 115 HD23 LEU 115 4.124 -6.490 4.800 1010 H ALA 116 H ALA 116 0.459 -11.938 4.646 1011 HA ALA 116 HA ALA 116 -1.854 -10.407 5.318 1012 HB1 ALA 116 HB1 ALA 116 -3.247 -11.088 3.420 1013 HB2 ALA 116 HB2 ALA 116 -1.841 -11.824 2.649 1014 HB3 ALA 116 HB3 ALA 116 -1.900 -10.078 2.891 1015 H ARG 117 H ARG 117 -0.432 -13.431 4.228 1016 HA ARG 117 HA ARG 117 -2.291 -14.930 5.928 1017 HB2 ARG 117 HB2 ARG 117 -0.239 -15.906 3.929 1018 HB3 ARG 117 HB3 ARG 117 -1.334 -16.934 4.840 1019 HG2 ARG 117 HG2 ARG 117 -2.203 -14.818 2.884 1020 HG3 ARG 117 HG3 ARG 117 -2.049 -16.534 2.511 1021 HD2 ARG 117 HD2 ARG 117 -4.349 -16.115 2.961 1022 HD3 ARG 117 HD3 ARG 117 -3.701 -16.985 4.348 1023 HE ARG 117 HE ARG 117 -3.586 -14.172 4.756 1024 HH11 ARG 117 HH11 ARG 117 -5.795 -16.887 4.755 1025 HH12 ARG 117 HH12 ARG 117 -6.904 -16.153 5.875 1026 HH21 ARG 117 HH21 ARG 117 -5.018 -13.210 6.246 1027 HH22 ARG 117 HH22 ARG 117 -6.455 -14.059 6.738 1028 H GLY 118 H GLY 118 0.879 -13.672 5.863 1029 HA2 GLY 118 HA2 GLY 118 1.413 -14.842 8.464 1030 HA3 GLY 118 HA3 GLY 118 2.551 -15.260 7.192 1031 H SER 119 H SER 119 3.951 -14.168 8.892 1032 HA SER 119 HA SER 119 4.338 -11.406 8.046 1033 HB2 SER 119 HB2 SER 119 4.272 -12.213 10.969 1034 HB3 SER 119 HB3 SER 119 4.572 -10.595 10.334 1035 HG SER 119 HG SER 119 2.322 -11.276 9.263 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -16.371 -0.365 17.874 2 H2 MET 1 H2 MET 1 -15.887 -0.931 19.397 3 H3 MET 1 H3 MET 1 -15.525 -1.828 18.008 4 HA MET 1 HA MET 1 -14.500 0.871 18.639 5 HB2 MET 1 HB2 MET 1 -12.340 -0.200 19.013 6 HB3 MET 1 HB3 MET 1 -13.544 -0.839 20.116 7 HG2 MET 1 HG2 MET 1 -12.404 -2.728 19.473 8 HG3 MET 1 HG3 MET 1 -13.787 -2.739 18.382 9 HE1 MET 1 HE1 MET 1 -9.933 -1.936 18.730 10 HE2 MET 1 HE2 MET 1 -10.634 -0.404 18.211 11 HE3 MET 1 HE3 MET 1 -9.579 -1.305 17.122 12 H VAL 2 H VAL 2 -12.959 1.659 17.182 13 HA VAL 2 HA VAL 2 -12.617 0.236 14.655 14 HB VAL 2 HB VAL 2 -14.560 1.683 14.274 15 HG11 VAL 2 HG11 VAL 2 -14.330 4.137 14.329 16 HG12 VAL 2 HG12 VAL 2 -12.740 3.948 15.066 17 HG13 VAL 2 HG13 VAL 2 -14.179 3.401 15.925 18 HG21 VAL 2 HG21 VAL 2 -13.085 1.289 12.404 19 HG22 VAL 2 HG22 VAL 2 -12.064 2.644 12.885 20 HG23 VAL 2 HG23 VAL 2 -13.712 2.934 12.328 21 H LYS 3 H LYS 3 -11.694 2.700 16.936 22 HA LYS 3 HA LYS 3 -9.191 3.198 15.522 23 HB2 LYS 3 HB2 LYS 3 -8.851 4.989 17.167 24 HB3 LYS 3 HB3 LYS 3 -10.414 5.146 16.381 25 HG2 LYS 3 HG2 LYS 3 -11.309 3.857 18.440 26 HG3 LYS 3 HG3 LYS 3 -9.787 4.337 19.189 27 HD2 LYS 3 HD2 LYS 3 -11.853 6.188 17.997 28 HD3 LYS 3 HD3 LYS 3 -11.558 5.926 19.716 29 HE2 LYS 3 HE2 LYS 3 -9.308 6.830 19.481 30 HE3 LYS 3 HE3 LYS 3 -9.571 7.063 17.752 31 HZ1 LYS 3 HZ1 LYS 3 -11.458 8.549 18.372 32 HZ2 LYS 3 HZ2 LYS 3 -9.929 9.135 18.812 33 HZ3 LYS 3 HZ3 LYS 3 -10.941 8.451 19.985 34 H LEU 4 H LEU 4 -7.332 2.250 16.104 35 HA LEU 4 HA LEU 4 -7.305 0.232 18.093 36 HB2 LEU 4 HB2 LEU 4 -5.127 1.506 16.453 37 HB3 LEU 4 HB3 LEU 4 -4.770 0.311 17.684 38 HG LEU 4 HG LEU 4 -6.300 -1.275 16.458 39 HD11 LEU 4 HD11 LEU 4 -7.576 0.364 15.187 40 HD12 LEU 4 HD12 LEU 4 -6.788 -0.800 14.120 41 HD13 LEU 4 HD13 LEU 4 -6.119 0.823 14.304 42 HD21 LEU 4 HD21 LEU 4 -3.887 -0.231 14.989 43 HD22 LEU 4 HD22 LEU 4 -4.633 -1.812 14.752 44 HD23 LEU 4 HD23 LEU 4 -3.880 -1.414 16.297 45 H ALA 5 H ALA 5 -6.889 0.348 20.180 46 HA ALA 5 HA ALA 5 -6.646 2.934 21.371 47 HB1 ALA 5 HB1 ALA 5 -6.689 0.224 22.687 48 HB2 ALA 5 HB2 ALA 5 -8.101 1.219 22.329 49 HB3 ALA 5 HB3 ALA 5 -6.898 1.778 23.493 50 H PHE 6 H PHE 6 -4.602 3.639 20.705 51 HA PHE 6 HA PHE 6 -2.273 2.339 21.823 52 HB2 PHE 6 HB2 PHE 6 -2.736 4.788 20.159 53 HB3 PHE 6 HB3 PHE 6 -1.229 4.631 21.054 54 HD1 PHE 6 HD1 PHE 6 -3.364 2.934 18.538 55 HD2 PHE 6 HD2 PHE 6 0.520 3.348 20.224 56 HE1 PHE 6 HE1 PHE 6 -2.439 1.531 16.742 57 HE2 PHE 6 HE2 PHE 6 1.455 1.946 18.431 58 HZ PHE 6 HZ PHE 6 -0.026 1.036 16.686 59 HA PRO 7 HA PRO 7 -2.940 3.929 25.879 60 HB2 PRO 7 HB2 PRO 7 0.042 3.757 25.932 61 HB3 PRO 7 HB3 PRO 7 -1.142 3.145 27.095 62 HG2 PRO 7 HG2 PRO 7 0.049 1.481 25.409 63 HG3 PRO 7 HG3 PRO 7 -1.678 1.305 25.777 64 HD2 PRO 7 HD2 PRO 7 -0.364 2.417 23.338 65 HD3 PRO 7 HD3 PRO 7 -1.850 1.456 23.484 66 H ARG 8 H ARG 8 -3.514 5.989 25.946 67 HA ARG 8 HA ARG 8 -2.058 8.150 24.817 68 HB2 ARG 8 HB2 ARG 8 -4.206 8.207 26.951 69 HB3 ARG 8 HB3 ARG 8 -3.696 9.567 25.958 70 HG2 ARG 8 HG2 ARG 8 -4.578 8.577 23.995 71 HG3 ARG 8 HG3 ARG 8 -4.846 7.039 24.816 72 HD2 ARG 8 HD2 ARG 8 -6.959 8.101 24.640 73 HD3 ARG 8 HD3 ARG 8 -6.456 8.239 26.323 74 HE ARG 8 HE ARG 8 -5.651 10.578 25.512 75 HH11 ARG 8 HH11 ARG 8 -8.559 8.876 24.527 76 HH12 ARG 8 HH12 ARG 8 -9.439 10.339 24.177 77 HH21 ARG 8 HH21 ARG 8 -6.822 12.488 25.051 78 HH22 ARG 8 HH22 ARG 8 -8.455 12.376 24.473 79 H GLU 9 H GLU 9 -1.683 6.361 27.624 80 HA GLU 9 HA GLU 9 -0.386 8.186 29.334 81 HB2 GLU 9 HB2 GLU 9 -1.195 5.890 29.928 82 HB3 GLU 9 HB3 GLU 9 0.115 5.217 28.977 83 HG2 GLU 9 HG2 GLU 9 0.600 7.039 31.309 84 HG3 GLU 9 HG3 GLU 9 0.417 5.298 31.490 85 H LEU 10 H LEU 10 0.678 6.212 26.623 86 HA LEU 10 HA LEU 10 3.432 7.104 26.893 87 HB2 LEU 10 HB2 LEU 10 2.937 4.758 26.306 88 HB3 LEU 10 HB3 LEU 10 2.131 5.301 24.847 89 HG LEU 10 HG LEU 10 4.301 6.241 24.054 90 HD11 LEU 10 HD11 LEU 10 6.353 5.507 25.174 91 HD12 LEU 10 HD12 LEU 10 5.386 4.816 26.479 92 HD13 LEU 10 HD13 LEU 10 5.380 6.559 26.203 93 HD21 LEU 10 HD21 LEU 10 5.273 4.092 23.460 94 HD22 LEU 10 HD22 LEU 10 3.516 4.032 23.341 95 HD23 LEU 10 HD23 LEU 10 4.331 3.299 24.721 96 H ARG 11 H ARG 11 1.198 6.903 24.129 97 HA ARG 11 HA ARG 11 1.774 9.686 23.461 98 HB2 ARG 11 HB2 ARG 11 2.132 7.404 21.505 99 HB3 ARG 11 HB3 ARG 11 2.138 9.106 21.073 100 HG2 ARG 11 HG2 ARG 11 4.095 9.362 22.654 101 HG3 ARG 11 HG3 ARG 11 4.155 7.600 22.708 102 HD2 ARG 11 HD2 ARG 11 4.389 9.300 20.228 103 HD3 ARG 11 HD3 ARG 11 5.726 8.522 21.069 104 HE ARG 11 HE ARG 11 3.578 7.109 19.625 105 HH11 ARG 11 HH11 ARG 11 6.828 7.220 20.948 106 HH12 ARG 11 HH12 ARG 11 7.311 5.732 20.189 107 HH21 ARG 11 HH21 ARG 11 4.244 5.167 18.614 108 HH22 ARG 11 HH22 ARG 11 5.865 4.577 18.870 109 H LEU 12 H LEU 12 0.128 10.696 22.361 110 HA LEU 12 HA LEU 12 -2.438 9.387 22.538 111 HB2 LEU 12 HB2 LEU 12 -1.592 12.152 21.680 112 HB3 LEU 12 HB3 LEU 12 -3.251 11.606 21.558 113 HG LEU 12 HG LEU 12 -3.215 11.209 24.045 114 HD11 LEU 12 HD11 LEU 12 -1.502 12.372 25.354 115 HD12 LEU 12 HD12 LEU 12 -0.623 12.736 23.869 116 HD13 LEU 12 HD13 LEU 12 -0.820 11.062 24.391 117 HD21 LEU 12 HD21 LEU 12 -4.273 13.162 23.086 118 HD22 LEU 12 HD22 LEU 12 -2.728 14.014 23.058 119 HD23 LEU 12 HD23 LEU 12 -3.471 13.584 24.600 120 H LEU 13 H LEU 13 -3.511 8.437 20.936 121 HA LEU 13 HA LEU 13 -2.300 7.899 18.463 122 HB2 LEU 13 HB2 LEU 13 -4.585 7.002 17.847 123 HB3 LEU 13 HB3 LEU 13 -3.818 6.296 19.253 124 HG LEU 13 HG LEU 13 -5.262 7.971 20.608 125 HD11 LEU 13 HD11 LEU 13 -6.005 9.308 18.700 126 HD12 LEU 13 HD12 LEU 13 -7.365 8.595 19.568 127 HD13 LEU 13 HD13 LEU 13 -6.834 7.899 18.036 128 HD21 LEU 13 HD21 LEU 13 -7.115 6.381 20.660 129 HD22 LEU 13 HD22 LEU 13 -5.555 5.554 20.646 130 HD23 LEU 13 HD23 LEU 13 -6.523 5.639 19.172 131 H THR 14 H THR 14 -3.130 8.443 16.316 132 HA THR 14 HA THR 14 -4.055 11.230 16.279 133 HB THR 14 HB THR 14 -2.802 11.270 14.009 134 HG1 THR 14 HG1 THR 14 -1.398 9.145 15.298 135 HG21 THR 14 HG21 THR 14 -2.117 12.548 15.989 136 HG22 THR 14 HG22 THR 14 -0.720 11.930 15.106 137 HG23 THR 14 HG23 THR 14 -1.244 11.141 16.595 138 HA PRO 15 HA PRO 15 -7.476 9.808 13.816 139 HB2 PRO 15 HB2 PRO 15 -7.636 12.552 12.776 140 HB3 PRO 15 HB3 PRO 15 -8.796 11.660 13.762 141 HG2 PRO 15 HG2 PRO 15 -7.368 13.707 14.763 142 HG3 PRO 15 HG3 PRO 15 -7.803 12.296 15.747 143 HD2 PRO 15 HD2 PRO 15 -5.200 12.938 14.406 144 HD3 PRO 15 HD3 PRO 15 -5.500 12.283 16.031 145 H SER 16 H SER 16 -4.551 10.887 12.660 146 HA SER 16 HA SER 16 -5.246 10.708 9.842 147 HB2 SER 16 HB2 SER 16 -2.554 11.201 11.139 148 HB3 SER 16 HB3 SER 16 -2.958 11.424 9.437 149 HG SER 16 HG SER 16 -4.541 13.001 10.192 150 H GLN 17 H GLN 17 -5.335 8.730 8.963 151 HA GLN 17 HA GLN 17 -4.275 6.433 10.217 152 HB2 GLN 17 HB2 GLN 17 -4.789 5.365 7.912 153 HB3 GLN 17 HB3 GLN 17 -6.113 5.963 8.897 154 HG2 GLN 17 HG2 GLN 17 -6.617 6.668 6.736 155 HG3 GLN 17 HG3 GLN 17 -5.965 8.099 7.524 156 HE21 GLN 17 HE21 GLN 17 -5.415 9.070 5.603 157 HE22 GLN 17 HE22 GLN 17 -4.097 8.513 4.622 158 H PHE 18 H PHE 18 -2.908 8.713 8.038 159 HA PHE 18 HA PHE 18 -0.830 7.146 6.958 160 HB2 PHE 18 HB2 PHE 18 -1.388 9.316 6.009 161 HB3 PHE 18 HB3 PHE 18 -0.952 10.120 7.512 162 HD1 PHE 18 HD2 PHE 18 0.436 8.115 4.718 163 HD2 PHE 18 HD1 PHE 18 1.241 10.826 7.899 164 HE1 PHE 18 HE2 PHE 18 2.739 8.381 3.904 165 HE2 PHE 18 HE1 PHE 18 3.551 11.093 7.092 166 HZ PHE 18 HZ PHE 18 4.303 9.869 5.091 167 H THR 19 H THR 19 -1.047 9.083 9.920 168 HA THR 19 HA THR 19 1.683 8.421 10.645 169 HB THR 19 HB THR 19 1.036 9.700 12.778 170 HG1 THR 19 HG1 THR 19 -1.127 9.845 12.788 171 HG21 THR 19 HG21 THR 19 0.932 11.106 10.103 172 HG22 THR 19 HG22 THR 19 2.394 10.679 10.995 173 HG23 THR 19 HG23 THR 19 1.274 11.873 11.655 174 H PHE 20 H PHE 20 -1.432 7.147 11.090 175 HA PHE 20 HA PHE 20 -1.139 5.945 13.633 176 HB2 PHE 20 HB2 PHE 20 -3.206 6.218 11.892 177 HB3 PHE 20 HB3 PHE 20 -2.789 4.531 11.616 178 HD1 PHE 20 HD2 PHE 20 -2.446 3.130 13.847 179 HD2 PHE 20 HD1 PHE 20 -4.737 6.700 13.516 180 HE1 PHE 20 HE2 PHE 20 -3.720 2.499 15.855 181 HE2 PHE 20 HE1 PHE 20 -6.011 6.077 15.525 182 HZ PHE 20 HZ PHE 20 -5.508 3.973 16.698 183 H VAL 21 H VAL 21 -0.711 4.650 10.338 184 HA VAL 21 HA VAL 21 0.422 2.188 11.314 185 HB VAL 21 HB VAL 21 0.859 1.665 8.946 186 HG11 VAL 21 HG11 VAL 21 -1.300 1.114 9.877 187 HG12 VAL 21 HG12 VAL 21 -1.484 1.623 8.198 188 HG13 VAL 21 HG13 VAL 21 -1.904 2.729 9.507 189 HG21 VAL 21 HG21 VAL 21 1.393 3.916 8.155 190 HG22 VAL 21 HG22 VAL 21 -0.286 4.403 8.388 191 HG23 VAL 21 HG23 VAL 21 0.118 3.185 7.178 192 H PHE 22 H PHE 22 1.593 5.277 10.955 193 HA PHE 22 HA PHE 22 4.250 4.573 10.048 194 HB2 PHE 22 HB2 PHE 22 2.963 6.764 9.549 195 HB3 PHE 22 HB3 PHE 22 3.441 7.248 11.171 196 HD1 PHE 22 HD1 PHE 22 4.815 6.086 7.925 197 HD2 PHE 22 HD2 PHE 22 5.525 8.230 11.532 198 HE1 PHE 22 HE1 PHE 22 6.969 6.866 7.030 199 HE2 PHE 22 HE2 PHE 22 7.685 9.013 10.646 200 HZ PHE 22 HZ PHE 22 8.410 8.333 8.393 201 H GLN 23 H GLN 23 2.652 4.285 12.910 202 HA GLN 23 HA GLN 23 4.575 5.058 14.819 203 HB2 GLN 23 HB2 GLN 23 2.528 2.832 14.878 204 HB3 GLN 23 HB3 GLN 23 3.503 3.294 16.265 205 HG2 GLN 23 HG2 GLN 23 1.541 5.061 14.823 206 HG3 GLN 23 HG3 GLN 23 1.276 4.265 16.373 207 HE21 GLN 23 HE21 GLN 23 2.880 6.837 14.710 208 HE22 GLN 23 HE22 GLN 23 3.459 7.668 16.111 209 H GLN 24 H GLN 24 4.147 2.155 12.913 210 HA GLN 24 HA GLN 24 6.949 1.519 13.128 211 HB2 GLN 24 HB2 GLN 24 5.994 0.390 15.121 212 HB3 GLN 24 HB3 GLN 24 4.865 -0.464 14.079 213 HG2 GLN 24 HG2 GLN 24 6.745 -1.570 12.964 214 HG3 GLN 24 HG3 GLN 24 7.862 -0.729 14.039 215 HE21 GLN 24 HE21 GLN 24 7.338 -3.599 13.662 216 HE22 GLN 24 HE22 GLN 24 6.927 -4.206 15.232 217 HA PRO 25 HA PRO 25 4.651 1.004 9.179 218 HB2 PRO 25 HB2 PRO 25 7.096 1.967 7.901 219 HB3 PRO 25 HB3 PRO 25 5.472 2.659 7.878 220 HG2 PRO 25 HG2 PRO 25 7.529 3.809 9.206 221 HG3 PRO 25 HG3 PRO 25 5.847 3.936 9.750 222 HD2 PRO 25 HD2 PRO 25 8.039 2.162 10.750 223 HD3 PRO 25 HD3 PRO 25 6.794 3.041 11.664 224 H GLN 26 H GLN 26 4.509 -1.028 8.539 225 HA GLN 26 HA GLN 26 6.853 -2.642 8.020 226 HB2 GLN 26 HB2 GLN 26 3.896 -3.174 7.712 227 HB3 GLN 26 HB3 GLN 26 5.134 -4.334 7.255 228 HG2 GLN 26 HG2 GLN 26 5.933 -4.383 9.565 229 HG3 GLN 26 HG3 GLN 26 4.680 -3.228 10.017 230 HE21 GLN 26 HE21 GLN 26 2.669 -4.387 8.290 231 HE22 GLN 26 HE22 GLN 26 2.193 -5.881 9.026 232 H ARG 27 H ARG 27 7.871 -2.682 6.141 233 HA ARG 27 HA ARG 27 6.648 -1.280 3.890 234 HB2 ARG 27 HB2 ARG 27 8.909 -0.601 4.674 235 HB3 ARG 27 HB3 ARG 27 9.510 -2.197 4.259 236 HG2 ARG 27 HG2 ARG 27 8.162 -0.604 2.139 237 HG3 ARG 27 HG3 ARG 27 9.792 -0.147 2.634 238 HD2 ARG 27 HD2 ARG 27 9.049 -2.952 1.831 239 HD3 ARG 27 HD3 ARG 27 9.623 -1.745 0.680 240 HE ARG 27 HE ARG 27 11.649 -1.623 2.238 241 HH11 ARG 27 HH11 ARG 27 9.765 -4.549 1.781 242 HH12 ARG 27 HH12 ARG 27 11.121 -5.599 2.033 243 HH21 ARG 27 HH21 ARG 27 13.404 -2.997 2.586 244 HH22 ARG 27 HH22 ARG 27 13.193 -4.721 2.487 245 H ALA 28 H ALA 28 5.333 -2.683 2.867 246 HA ALA 28 HA ALA 28 6.620 -5.096 1.768 247 HB1 ALA 28 HB1 ALA 28 4.443 -6.159 1.645 248 HB2 ALA 28 HB2 ALA 28 3.675 -4.713 2.302 249 HB3 ALA 28 HB3 ALA 28 4.776 -5.659 3.303 250 H GLY 29 H GLY 29 7.322 -4.385 -0.147 251 HA2 GLY 29 HA2 GLY 29 5.721 -4.087 -2.346 252 HA3 GLY 29 HA3 GLY 29 5.885 -2.459 -1.705 253 H THR 30 H THR 30 7.087 -1.646 -3.395 254 HA THR 30 HA THR 30 9.814 -2.748 -3.645 255 HB THR 30 HB THR 30 9.763 -2.024 -6.039 256 HG1 THR 30 HG1 THR 30 7.123 -2.030 -6.420 257 HG21 THR 30 HG21 THR 30 9.355 -4.371 -5.444 258 HG22 THR 30 HG22 THR 30 8.425 -3.896 -6.865 259 HG23 THR 30 HG23 THR 30 7.631 -4.031 -5.298 260 HA PRO 31 HA PRO 31 11.161 1.547 -3.279 261 HB2 PRO 31 HB2 PRO 31 13.140 1.723 -5.133 262 HB3 PRO 31 HB3 PRO 31 13.345 0.896 -3.585 263 HG2 PRO 31 HG2 PRO 31 12.774 -0.259 -6.287 264 HG3 PRO 31 HG3 PRO 31 13.885 -0.841 -5.033 265 HD2 PRO 31 HD2 PRO 31 11.439 -1.927 -5.436 266 HD3 PRO 31 HD3 PRO 31 12.203 -1.861 -3.839 267 H GLN 32 H GLN 32 9.574 0.289 -5.886 268 HA GLN 32 HA GLN 32 9.445 2.788 -7.395 269 HB2 GLN 32 HB2 GLN 32 9.709 0.610 -8.590 270 HB3 GLN 32 HB3 GLN 32 8.145 0.113 -7.960 271 HG2 GLN 32 HG2 GLN 32 7.089 1.974 -9.152 272 HG3 GLN 32 HG3 GLN 32 8.662 2.432 -9.805 273 HE21 GLN 32 HE21 GLN 32 9.670 1.077 -11.312 274 HE22 GLN 32 HE22 GLN 32 8.763 -0.083 -12.222 275 H ILE 33 H ILE 33 7.428 0.512 -5.606 276 HA ILE 33 HA ILE 33 5.695 2.720 -4.840 277 HB ILE 33 HB ILE 33 4.460 1.814 -6.688 278 HG12 ILE 33 HG12 ILE 33 3.284 0.773 -4.102 279 HG13 ILE 33 HG13 ILE 33 3.171 2.433 -4.679 280 HG21 ILE 33 HG21 ILE 33 4.779 -0.883 -5.389 281 HG22 ILE 33 HG22 ILE 33 5.519 -0.344 -6.897 282 HG23 ILE 33 HG23 ILE 33 3.769 -0.544 -6.793 283 HD11 ILE 33 HD11 ILE 33 1.894 1.669 -6.615 284 HD12 ILE 33 HD12 ILE 33 1.119 1.209 -5.099 285 HD13 ILE 33 HD13 ILE 33 2.010 0.007 -6.032 286 H THR 34 H THR 34 5.499 2.716 -2.710 287 HA THR 34 HA THR 34 6.250 0.247 -1.293 288 HB THR 34 HB THR 34 6.547 3.103 -0.350 289 HG1 THR 34 HG1 THR 34 8.167 1.448 -1.886 290 HG21 THR 34 HG21 THR 34 7.628 0.519 0.783 291 HG22 THR 34 HG22 THR 34 6.325 1.484 1.477 292 HG23 THR 34 HG23 THR 34 7.963 2.135 1.398 293 H ILE 35 H ILE 35 4.559 -0.725 -0.394 294 HA ILE 35 HA ILE 35 2.292 0.852 0.551 295 HB ILE 35 HB ILE 35 2.640 -2.153 0.375 296 HG12 ILE 35 HG12 ILE 35 0.715 -1.826 -1.326 297 HG13 ILE 35 HG13 ILE 35 1.214 -0.141 -1.357 298 HG21 ILE 35 HG21 ILE 35 0.274 -2.307 0.939 299 HG22 ILE 35 HG22 ILE 35 0.196 -0.554 1.130 300 HG23 ILE 35 HG23 ILE 35 1.183 -1.519 2.231 301 HD11 ILE 35 HD11 ILE 35 3.433 -0.810 -2.117 302 HD12 ILE 35 HD12 ILE 35 2.174 -1.392 -3.205 303 HD13 ILE 35 HD13 ILE 35 2.940 -2.503 -2.070 304 H LEU 36 H LEU 36 2.337 1.572 2.569 305 HA LEU 36 HA LEU 36 3.887 0.087 4.579 306 HB2 LEU 36 HB2 LEU 36 2.888 2.936 4.590 307 HB3 LEU 36 HB3 LEU 36 3.769 2.182 5.903 308 HG LEU 36 HG LEU 36 4.861 2.651 3.126 309 HD11 LEU 36 HD11 LEU 36 5.391 4.078 5.727 310 HD12 LEU 36 HD12 LEU 36 4.549 4.736 4.325 311 HD13 LEU 36 HD13 LEU 36 6.263 4.340 4.216 312 HD21 LEU 36 HD21 LEU 36 6.200 1.652 5.638 313 HD22 LEU 36 HD22 LEU 36 7.000 1.998 4.104 314 HD23 LEU 36 HD23 LEU 36 5.826 0.685 4.210 315 H GLY 37 H GLY 37 2.705 -1.245 5.765 316 HA2 GLY 37 HA2 GLY 37 0.063 -0.312 6.674 317 HA3 GLY 37 HA3 GLY 37 0.222 -1.894 5.932 318 H ARG 38 H ARG 38 0.109 -0.270 8.798 319 HA ARG 38 HA ARG 38 0.893 -2.684 10.230 320 HB2 ARG 38 HB2 ARG 38 2.897 -1.256 10.310 321 HB3 ARG 38 HB3 ARG 38 1.937 0.064 10.959 322 HG2 ARG 38 HG2 ARG 38 3.145 -0.936 12.756 323 HG3 ARG 38 HG3 ARG 38 1.443 -1.355 12.946 324 HD2 ARG 38 HD2 ARG 38 1.846 -3.559 12.039 325 HD3 ARG 38 HD3 ARG 38 3.525 -3.141 11.693 326 HE ARG 38 HE ARG 38 2.984 -2.771 14.442 327 HH11 ARG 38 HH11 ARG 38 3.503 -5.319 12.088 328 HH12 ARG 38 HH12 ARG 38 4.066 -6.466 13.266 329 HH21 ARG 38 HH21 ARG 38 3.742 -4.263 15.984 330 HH22 ARG 38 HH22 ARG 38 4.223 -5.854 15.475 331 H LEU 39 H LEU 39 -1.380 -2.887 10.420 332 HA LEU 39 HA LEU 39 -2.469 -1.405 12.662 333 HB2 LEU 39 HB2 LEU 39 -3.042 -0.350 10.299 334 HB3 LEU 39 HB3 LEU 39 -4.221 -1.647 10.252 335 HG LEU 39 HG LEU 39 -5.119 -0.798 12.440 336 HD11 LEU 39 HD11 LEU 39 -4.556 1.500 13.068 337 HD12 LEU 39 HD12 LEU 39 -3.324 1.538 11.807 338 HD13 LEU 39 HD13 LEU 39 -3.156 0.432 13.170 339 HD21 LEU 39 HD21 LEU 39 -5.184 1.107 10.107 340 HD22 LEU 39 HD22 LEU 39 -6.344 1.053 11.432 341 HD23 LEU 39 HD23 LEU 39 -6.214 -0.307 10.318 342 H ASN 40 H ASN 40 -5.082 -2.371 12.480 343 HA ASN 40 HA ASN 40 -4.629 -5.269 12.702 344 HB2 ASN 40 HB2 ASN 40 -5.352 -3.925 14.756 345 HB3 ASN 40 HB3 ASN 40 -6.905 -3.722 13.953 346 HD21 ASN 40 HD21 ASN 40 -6.238 -5.068 16.446 347 HD22 ASN 40 HD22 ASN 40 -6.764 -6.708 16.285 348 H SER 41 H SER 41 -5.865 -6.652 11.527 349 HA SER 41 HA SER 41 -7.374 -5.569 9.339 350 HB2 SER 41 HB2 SER 41 -7.040 -8.456 10.181 351 HB3 SER 41 HB3 SER 41 -7.578 -7.873 8.604 352 HG SER 41 HG SER 41 -5.279 -6.685 9.136 353 H LEU 42 H LEU 42 -8.996 -4.478 10.573 354 HA LEU 42 HA LEU 42 -10.806 -5.981 12.239 355 HB2 LEU 42 HB2 LEU 42 -10.988 -3.144 11.224 356 HB3 LEU 42 HB3 LEU 42 -11.991 -3.848 12.476 357 HG LEU 42 HG LEU 42 -9.003 -3.459 12.676 358 HD11 LEU 42 HD11 LEU 42 -11.262 -1.907 13.932 359 HD12 LEU 42 HD12 LEU 42 -10.194 -1.331 12.652 360 HD13 LEU 42 HD13 LEU 42 -9.543 -1.677 14.254 361 HD21 LEU 42 HD21 LEU 42 -9.823 -5.351 13.990 362 HD22 LEU 42 HD22 LEU 42 -11.029 -4.308 14.742 363 HD23 LEU 42 HD23 LEU 42 -9.314 -4.021 15.029 364 H GLY 43 H GLY 43 -10.588 -5.246 8.910 365 HA2 GLY 43 HA2 GLY 43 -12.147 -6.387 7.404 366 HA3 GLY 43 HA3 GLY 43 -13.429 -5.989 8.544 367 H HIS 44 H HIS 44 -11.603 -3.395 8.652 368 HA HIS 44 HA HIS 44 -13.141 -1.925 6.651 369 HB2 HIS 44 HB2 HIS 44 -13.260 -0.997 8.853 370 HB3 HIS 44 HB3 HIS 44 -11.531 -1.146 9.088 371 HD1 HIS 44 HD1 HIS 44 -14.020 1.312 8.462 372 HD2 HIS 44 HD2 HIS 44 -10.101 0.739 7.215 373 HE1 HIS 44 HE1 HIS 44 -13.187 3.585 7.769 374 HE2 HIS 44 HE2 HIS 44 -10.717 3.233 7.356 375 HA PRO 45 HA PRO 45 -9.135 -2.016 4.508 376 HB2 PRO 45 HB2 PRO 45 -10.188 -2.439 2.018 377 HB3 PRO 45 HB3 PRO 45 -9.832 -3.724 3.173 378 HG2 PRO 45 HG2 PRO 45 -12.407 -2.799 2.240 379 HG3 PRO 45 HG3 PRO 45 -12.040 -4.185 3.274 380 HD2 PRO 45 HD2 PRO 45 -12.979 -1.503 4.018 381 HD3 PRO 45 HD3 PRO 45 -12.998 -3.006 4.963 382 H ARG 46 H ARG 46 -8.508 0.106 4.626 383 HA ARG 46 HA ARG 46 -9.773 1.946 2.704 384 HB2 ARG 46 HB2 ARG 46 -9.952 2.575 5.122 385 HB3 ARG 46 HB3 ARG 46 -8.198 2.692 5.168 386 HG2 ARG 46 HG2 ARG 46 -8.272 4.455 3.476 387 HG3 ARG 46 HG3 ARG 46 -10.035 4.342 3.443 388 HD2 ARG 46 HD2 ARG 46 -10.015 4.850 5.895 389 HD3 ARG 46 HD3 ARG 46 -8.289 5.172 5.748 390 HE ARG 46 HE ARG 46 -9.802 6.692 3.874 391 HH11 ARG 46 HH11 ARG 46 -8.831 6.525 7.230 392 HH12 ARG 46 HH12 ARG 46 -8.990 8.235 7.507 393 HH21 ARG 46 HH21 ARG 46 -10.047 8.954 4.227 394 HH22 ARG 46 HH22 ARG 46 -9.709 9.615 5.805 395 H ILE 47 H ILE 47 -8.590 2.043 0.927 396 HA ILE 47 HA ILE 47 -5.731 1.576 1.054 397 HB ILE 47 HB ILE 47 -6.986 0.433 -0.687 398 HG12 ILE 47 HG12 ILE 47 -5.029 2.523 -1.635 399 HG13 ILE 47 HG13 ILE 47 -4.713 0.835 -1.229 400 HG21 ILE 47 HG21 ILE 47 -7.990 1.646 -2.576 401 HG22 ILE 47 HG22 ILE 47 -7.681 3.169 -1.742 402 HG23 ILE 47 HG23 ILE 47 -8.797 1.994 -1.045 403 HD11 ILE 47 HD11 ILE 47 -4.643 1.185 -3.616 404 HD12 ILE 47 HD12 ILE 47 -6.287 1.820 -3.592 405 HD13 ILE 47 HD13 ILE 47 -5.988 0.129 -3.182 406 H GLY 48 H GLY 48 -4.679 3.314 1.831 407 HA2 GLY 48 HA2 GLY 48 -5.462 5.997 1.059 408 HA3 GLY 48 HA3 GLY 48 -4.190 5.563 2.190 409 H LEU 49 H LEU 49 -4.977 5.479 -1.263 410 HA LEU 49 HA LEU 49 -2.296 5.191 -2.139 411 HB2 LEU 49 HB2 LEU 49 -4.233 4.594 -3.527 412 HB3 LEU 49 HB3 LEU 49 -4.707 6.280 -3.602 413 HG LEU 49 HG LEU 49 -2.590 6.780 -4.813 414 HD11 LEU 49 HD11 LEU 49 -1.310 4.912 -5.750 415 HD12 LEU 49 HD12 LEU 49 -2.284 3.781 -4.809 416 HD13 LEU 49 HD13 LEU 49 -1.239 4.940 -3.987 417 HD21 LEU 49 HD21 LEU 49 -4.322 4.657 -6.077 418 HD22 LEU 49 HD22 LEU 49 -3.294 5.806 -6.933 419 HD23 LEU 49 HD23 LEU 49 -4.684 6.383 -6.016 420 H THR 50 H THR 50 -0.722 6.642 -2.022 421 HA THR 50 HA THR 50 -1.438 9.502 -2.003 422 HB THR 50 HB THR 50 1.030 8.233 -0.801 423 HG1 THR 50 HG1 THR 50 -1.206 7.834 0.164 424 HG21 THR 50 HG21 THR 50 -0.141 11.007 -0.546 425 HG22 THR 50 HG22 THR 50 1.327 10.578 -1.424 426 HG23 THR 50 HG23 THR 50 1.266 10.406 0.330 427 H VAL 51 H VAL 51 -1.055 10.360 -3.929 428 HA VAL 51 HA VAL 51 1.468 9.720 -5.303 429 HB VAL 51 HB VAL 51 -1.188 10.224 -6.673 430 HG11 VAL 51 HG11 VAL 51 1.481 9.404 -7.813 431 HG12 VAL 51 HG12 VAL 51 0.733 10.993 -7.966 432 HG13 VAL 51 HG13 VAL 51 -0.021 9.589 -8.718 433 HG21 VAL 51 HG21 VAL 51 0.333 7.644 -6.323 434 HG22 VAL 51 HG22 VAL 51 -1.083 7.864 -7.352 435 HG23 VAL 51 HG23 VAL 51 -1.225 8.054 -5.603 436 H ALA 52 H ALA 52 2.495 11.468 -6.297 437 HA ALA 52 HA ALA 52 1.266 14.108 -5.839 438 HB1 ALA 52 HB1 ALA 52 4.189 13.432 -5.538 439 HB2 ALA 52 HB2 ALA 52 3.055 13.642 -4.205 440 HB3 ALA 52 HB3 ALA 52 3.438 15.004 -5.260 441 H LYS 53 H LYS 53 2.792 15.803 -7.123 442 HA LYS 53 HA LYS 53 2.692 14.911 -9.899 443 HB2 LYS 53 HB2 LYS 53 3.210 17.634 -8.697 444 HB3 LYS 53 HB3 LYS 53 3.208 17.304 -10.420 445 HG2 LYS 53 HG2 LYS 53 0.833 16.514 -10.153 446 HG3 LYS 53 HG3 LYS 53 0.894 17.161 -8.512 447 HD2 LYS 53 HD2 LYS 53 -0.093 18.784 -10.031 448 HD3 LYS 53 HD3 LYS 53 1.454 19.372 -9.415 449 HE2 LYS 53 HE2 LYS 53 2.536 18.600 -11.497 450 HE3 LYS 53 HE3 LYS 53 0.959 18.106 -12.107 451 HZ1 LYS 53 HZ1 LYS 53 0.223 20.366 -12.083 452 HZ2 LYS 53 HZ2 LYS 53 1.701 20.303 -12.916 453 HZ3 LYS 53 HZ3 LYS 53 1.652 20.885 -11.325 454 H LYS 54 H LYS 54 4.969 15.215 -7.416 455 HA LYS 54 HA LYS 54 7.202 15.968 -9.030 456 HB2 LYS 54 HB2 LYS 54 8.574 15.442 -7.068 457 HB3 LYS 54 HB3 LYS 54 7.214 16.475 -6.657 458 HG2 LYS 54 HG2 LYS 54 6.013 14.509 -5.788 459 HG3 LYS 54 HG3 LYS 54 7.427 13.515 -6.150 460 HD2 LYS 54 HD2 LYS 54 7.411 15.899 -4.295 461 HD3 LYS 54 HD3 LYS 54 7.328 14.214 -3.780 462 HE2 LYS 54 HE2 LYS 54 9.508 13.773 -4.704 463 HE3 LYS 54 HE3 LYS 54 9.581 15.391 -5.399 464 HZ1 LYS 54 HZ1 LYS 54 10.856 15.145 -3.316 465 HZ2 LYS 54 HZ2 LYS 54 9.411 14.826 -2.487 466 HZ3 LYS 54 HZ3 LYS 54 9.653 16.339 -3.215 467 H ASN 55 H ASN 55 5.649 12.971 -8.270 468 HA ASN 55 HA ASN 55 7.849 11.537 -9.579 469 HB2 ASN 55 HB2 ASN 55 6.848 9.461 -8.716 470 HB3 ASN 55 HB3 ASN 55 7.249 10.582 -7.423 471 HD21 ASN 55 HD21 ASN 55 5.335 8.326 -7.642 472 HD22 ASN 55 HD22 ASN 55 3.818 8.984 -7.136 473 H VAL 56 H VAL 56 4.291 11.783 -9.603 474 HA VAL 56 HA VAL 56 4.330 10.815 -12.376 475 HB VAL 56 HB VAL 56 1.926 11.250 -10.588 476 HG11 VAL 56 HG11 VAL 56 0.748 9.892 -12.290 477 HG12 VAL 56 HG12 VAL 56 2.207 9.915 -13.281 478 HG13 VAL 56 HG13 VAL 56 1.356 11.418 -12.932 479 HG21 VAL 56 HG21 VAL 56 3.348 9.464 -9.724 480 HG22 VAL 56 HG22 VAL 56 3.349 8.685 -11.306 481 HG23 VAL 56 HG23 VAL 56 1.850 8.809 -10.384 482 H ARG 57 H ARG 57 5.129 12.708 -13.327 483 HA ARG 57 HA ARG 57 3.572 15.146 -12.977 484 HB2 ARG 57 HB2 ARG 57 5.329 16.285 -14.169 485 HB3 ARG 57 HB3 ARG 57 6.037 15.277 -12.919 486 HG2 ARG 57 HG2 ARG 57 6.669 13.623 -14.582 487 HG3 ARG 57 HG3 ARG 57 5.917 14.594 -15.852 488 HD2 ARG 57 HD2 ARG 57 8.296 15.320 -14.146 489 HD3 ARG 57 HD3 ARG 57 8.273 15.027 -15.886 490 HE ARG 57 HE ARG 57 6.706 17.066 -15.893 491 HH11 ARG 57 HH11 ARG 57 9.472 16.628 -13.795 492 HH12 ARG 57 HH12 ARG 57 9.669 18.328 -13.483 493 HH21 ARG 57 HH21 ARG 57 6.958 19.292 -15.516 494 HH22 ARG 57 HH22 ARG 57 8.248 19.853 -14.487 495 H ARG 58 H ARG 58 3.031 12.536 -14.658 496 HA ARG 58 HA ARG 58 2.134 13.939 -17.073 497 HB2 ARG 58 HB2 ARG 58 2.535 11.033 -16.437 498 HB3 ARG 58 HB3 ARG 58 1.426 11.503 -17.714 499 HG2 ARG 58 HG2 ARG 58 3.442 11.054 -18.797 500 HG3 ARG 58 HG3 ARG 58 3.361 12.812 -18.708 501 HD2 ARG 58 HD2 ARG 58 4.826 12.745 -16.720 502 HD3 ARG 58 HD3 ARG 58 4.949 10.996 -16.898 503 HE ARG 58 HE ARG 58 5.793 12.744 -19.108 504 HH11 ARG 58 HH11 ARG 58 6.611 10.387 -16.642 505 HH12 ARG 58 HH12 ARG 58 8.208 10.102 -17.268 506 HH21 ARG 58 HH21 ARG 58 7.875 12.357 -19.928 507 HH22 ARG 58 HH22 ARG 58 8.913 11.204 -19.142 508 H ALA 59 H ALA 59 0.264 14.915 -16.720 509 HA ALA 59 HA ALA 59 -1.525 14.228 -14.649 510 HB1 ALA 59 HB1 ALA 59 -2.991 15.926 -15.607 511 HB2 ALA 59 HB2 ALA 59 -1.993 15.973 -17.060 512 HB3 ALA 59 HB3 ALA 59 -1.325 16.495 -15.515 513 H HIS 60 H HIS 60 -1.390 13.336 -18.022 514 HA HIS 60 HA HIS 60 -4.055 12.394 -18.246 515 HB2 HIS 60 HB2 HIS 60 -2.625 12.950 -20.198 516 HB3 HIS 60 HB3 HIS 60 -1.623 11.548 -19.839 517 HD1 HIS 60 HD1 HIS 60 -2.451 9.272 -20.593 518 HD2 HIS 60 HD2 HIS 60 -5.224 12.321 -21.198 519 HE1 HIS 60 HE1 HIS 60 -4.265 8.275 -22.034 520 HE2 HIS 60 HE2 HIS 60 -5.868 10.172 -22.486 521 H GLU 61 H GLU 61 -1.191 11.070 -16.856 522 HA GLU 61 HA GLU 61 -2.210 8.343 -17.002 523 HB2 GLU 61 HB2 GLU 61 0.421 9.368 -15.936 524 HB3 GLU 61 HB3 GLU 61 -0.018 7.677 -16.131 525 HG2 GLU 61 HG2 GLU 61 0.501 9.730 -18.248 526 HG3 GLU 61 HG3 GLU 61 1.323 8.197 -17.980 527 H ARG 62 H ARG 62 -2.945 10.786 -15.119 528 HA ARG 62 HA ARG 62 -2.579 9.852 -12.485 529 HB2 ARG 62 HB2 ARG 62 -4.641 11.666 -13.719 530 HB3 ARG 62 HB3 ARG 62 -4.634 11.286 -12.004 531 HG2 ARG 62 HG2 ARG 62 -2.419 12.627 -13.533 532 HG3 ARG 62 HG3 ARG 62 -3.553 13.406 -12.428 533 HD2 ARG 62 HD2 ARG 62 -2.713 11.792 -10.663 534 HD3 ARG 62 HD3 ARG 62 -1.412 11.397 -11.787 535 HE ARG 62 HE ARG 62 -1.034 13.955 -11.718 536 HH11 ARG 62 HH11 ARG 62 -2.009 11.924 -9.040 537 HH12 ARG 62 HH12 ARG 62 -1.380 12.998 -7.831 538 HH21 ARG 62 HH21 ARG 62 -0.234 15.369 -10.131 539 HH22 ARG 62 HH22 ARG 62 -0.353 14.939 -8.447 540 H ASN 63 H ASN 63 -5.061 9.280 -14.893 541 HA ASN 63 HA ASN 63 -6.876 7.911 -13.203 542 HB2 ASN 63 HB2 ASN 63 -7.129 8.948 -15.635 543 HB3 ASN 63 HB3 ASN 63 -6.728 7.306 -16.127 544 HD21 ASN 63 HD21 ASN 63 -9.186 8.802 -16.477 545 HD22 ASN 63 HD22 ASN 63 -10.434 7.874 -15.721 546 H ARG 64 H ARG 64 -4.010 6.980 -14.901 547 HA ARG 64 HA ARG 64 -4.383 4.211 -15.142 548 HB2 ARG 64 HB2 ARG 64 -1.814 5.732 -14.670 549 HB3 ARG 64 HB3 ARG 64 -1.925 4.071 -15.231 550 HG2 ARG 64 HG2 ARG 64 -2.983 6.467 -16.710 551 HG3 ARG 64 HG3 ARG 64 -1.443 5.669 -17.025 552 HD2 ARG 64 HD2 ARG 64 -2.747 3.553 -17.418 553 HD3 ARG 64 HD3 ARG 64 -4.211 4.537 -17.358 554 HE ARG 64 HE ARG 64 -2.230 5.501 -19.216 555 HH11 ARG 64 HH11 ARG 64 -4.961 3.345 -18.768 556 HH12 ARG 64 HH12 ARG 64 -5.340 3.259 -20.461 557 HH21 ARG 64 HH21 ARG 64 -2.701 5.374 -21.444 558 HH22 ARG 64 HH22 ARG 64 -4.043 4.404 -21.991 559 H ILE 65 H ILE 65 -2.825 6.111 -12.588 560 HA ILE 65 HA ILE 65 -1.957 3.912 -11.072 561 HB ILE 65 HB ILE 65 -2.556 6.644 -9.936 562 HG12 ILE 65 HG12 ILE 65 -1.239 6.913 -11.992 563 HG13 ILE 65 HG13 ILE 65 -0.264 7.277 -10.573 564 HG21 ILE 65 HG21 ILE 65 -0.492 4.561 -9.193 565 HG22 ILE 65 HG22 ILE 65 -1.985 4.888 -8.310 566 HG23 ILE 65 HG23 ILE 65 -0.725 6.120 -8.400 567 HD11 ILE 65 HD11 ILE 65 -0.202 4.705 -12.137 568 HD12 ILE 65 HD12 ILE 65 0.788 5.082 -10.726 569 HD13 ILE 65 HD13 ILE 65 0.990 6.001 -12.220 570 H LYS 66 H LYS 66 -4.938 5.834 -10.930 571 HA LYS 66 HA LYS 66 -5.954 4.830 -8.533 572 HB2 LYS 66 HB2 LYS 66 -7.400 5.781 -11.000 573 HB3 LYS 66 HB3 LYS 66 -8.232 5.309 -9.527 574 HG2 LYS 66 HG2 LYS 66 -6.735 7.072 -8.382 575 HG3 LYS 66 HG3 LYS 66 -6.479 7.676 -10.025 576 HD2 LYS 66 HD2 LYS 66 -8.934 7.804 -10.317 577 HD3 LYS 66 HD3 LYS 66 -9.135 7.306 -8.637 578 HE2 LYS 66 HE2 LYS 66 -9.359 9.661 -8.675 579 HE3 LYS 66 HE3 LYS 66 -7.767 9.320 -7.998 580 HZ1 LYS 66 HZ1 LYS 66 -7.958 11.128 -9.761 581 HZ2 LYS 66 HZ2 LYS 66 -8.116 9.864 -10.880 582 HZ3 LYS 66 HZ3 LYS 66 -6.711 9.994 -9.937 583 H ARG 67 H ARG 67 -6.643 3.694 -11.850 584 HA ARG 67 HA ARG 67 -8.259 1.542 -10.950 585 HB2 ARG 67 HB2 ARG 67 -6.947 2.049 -13.617 586 HB3 ARG 67 HB3 ARG 67 -8.036 0.703 -13.306 587 HG2 ARG 67 HG2 ARG 67 -9.656 2.583 -12.490 588 HG3 ARG 67 HG3 ARG 67 -8.628 3.612 -13.493 589 HD2 ARG 67 HD2 ARG 67 -10.530 2.790 -14.770 590 HD3 ARG 67 HD3 ARG 67 -9.022 2.134 -15.404 591 HE ARG 67 HE ARG 67 -10.175 0.371 -13.487 592 HH11 ARG 67 HH11 ARG 67 -10.425 1.399 -16.827 593 HH12 ARG 67 HH12 ARG 67 -11.213 -0.057 -17.349 594 HH21 ARG 67 HH21 ARG 67 -11.166 -1.539 -14.159 595 HH22 ARG 67 HH22 ARG 67 -11.635 -1.740 -15.825 596 H LEU 68 H LEU 68 -4.849 1.858 -11.582 597 HA LEU 68 HA LEU 68 -4.166 -0.865 -11.734 598 HB2 LEU 68 HB2 LEU 68 -2.755 1.358 -12.044 599 HB3 LEU 68 HB3 LEU 68 -2.378 1.102 -10.353 600 HG LEU 68 HG LEU 68 -0.644 0.230 -11.892 601 HD11 LEU 68 HD11 LEU 68 -0.365 -1.938 -10.833 602 HD12 LEU 68 HD12 LEU 68 -2.047 -1.907 -10.298 603 HD13 LEU 68 HD13 LEU 68 -0.895 -0.731 -9.661 604 HD21 LEU 68 HD21 LEU 68 -2.796 -1.703 -12.739 605 HD22 LEU 68 HD22 LEU 68 -1.095 -1.789 -13.196 606 HD23 LEU 68 HD23 LEU 68 -2.087 -0.434 -13.735 607 H THR 69 H THR 69 -4.573 1.339 -9.002 608 HA THR 69 HA THR 69 -4.128 -0.814 -7.095 609 HB THR 69 HB THR 69 -4.564 1.000 -5.404 610 HG1 THR 69 HG1 THR 69 -5.534 2.270 -7.471 611 HG21 THR 69 HG21 THR 69 -2.293 0.412 -6.035 612 HG22 THR 69 HG22 THR 69 -2.420 2.158 -5.814 613 HG23 THR 69 HG23 THR 69 -2.385 1.473 -7.439 614 H ARG 70 H ARG 70 -6.671 0.060 -8.943 615 HA ARG 70 HA ARG 70 -8.710 -0.137 -6.875 616 HB2 ARG 70 HB2 ARG 70 -8.954 1.501 -8.743 617 HB3 ARG 70 HB3 ARG 70 -9.058 0.152 -9.868 618 HG2 ARG 70 HG2 ARG 70 -11.268 0.840 -9.466 619 HG3 ARG 70 HG3 ARG 70 -11.047 -0.641 -8.532 620 HD2 ARG 70 HD2 ARG 70 -12.163 0.831 -7.083 621 HD3 ARG 70 HD3 ARG 70 -10.478 0.876 -6.566 622 HE ARG 70 HE ARG 70 -11.523 2.934 -8.393 623 HH11 ARG 70 HH11 ARG 70 -10.036 2.058 -5.338 624 HH12 ARG 70 HH12 ARG 70 -9.792 3.701 -4.846 625 HH21 ARG 70 HH21 ARG 70 -11.203 5.092 -7.731 626 HH22 ARG 70 HH22 ARG 70 -10.464 5.418 -6.184 627 H GLU 71 H GLU 71 -8.207 -1.699 -10.034 628 HA GLU 71 HA GLU 71 -10.015 -3.790 -9.545 629 HB2 GLU 71 HB2 GLU 71 -8.048 -3.090 -11.613 630 HB3 GLU 71 HB3 GLU 71 -8.388 -4.807 -11.480 631 HG2 GLU 71 HG2 GLU 71 -9.791 -3.658 -13.143 632 HG3 GLU 71 HG3 GLU 71 -10.727 -4.430 -11.866 633 H SER 72 H SER 72 -6.823 -3.382 -8.445 634 HA SER 72 HA SER 72 -6.302 -6.202 -8.108 635 HB2 SER 72 HB2 SER 72 -4.302 -5.245 -6.783 636 HB3 SER 72 HB3 SER 72 -4.360 -4.935 -8.519 637 HG SER 72 HG SER 72 -4.375 -2.892 -8.068 638 H PHE 73 H PHE 73 -6.577 -3.457 -5.852 639 HA PHE 73 HA PHE 73 -6.551 -5.078 -3.556 640 HB2 PHE 73 HB2 PHE 73 -7.253 -2.193 -3.999 641 HB3 PHE 73 HB3 PHE 73 -7.312 -2.936 -2.404 642 HD1 PHE 73 HD2 PHE 73 -5.112 -1.928 -5.171 643 HD2 PHE 73 HD1 PHE 73 -5.313 -3.501 -1.224 644 HE1 PHE 73 HE2 PHE 73 -2.699 -1.539 -4.898 645 HE2 PHE 73 HE1 PHE 73 -2.899 -3.115 -0.942 646 HZ PHE 73 HZ PHE 73 -1.587 -2.133 -2.781 647 H ARG 74 H ARG 74 -9.272 -3.851 -5.460 648 HA ARG 74 HA ARG 74 -11.090 -4.616 -3.310 649 HB2 ARG 74 HB2 ARG 74 -12.853 -3.509 -4.547 650 HB3 ARG 74 HB3 ARG 74 -11.467 -2.450 -4.373 651 HG2 ARG 74 HG2 ARG 74 -12.059 -2.051 -6.542 652 HG3 ARG 74 HG3 ARG 74 -10.864 -3.330 -6.760 653 HD2 ARG 74 HD2 ARG 74 -12.619 -4.980 -6.972 654 HD3 ARG 74 HD3 ARG 74 -13.845 -3.762 -6.626 655 HE ARG 74 HE ARG 74 -12.212 -3.125 -8.909 656 HH11 ARG 74 HH11 ARG 74 -15.063 -4.815 -7.798 657 HH12 ARG 74 HH12 ARG 74 -15.807 -4.861 -9.370 658 HH21 ARG 74 HH21 ARG 74 -13.195 -3.134 -10.959 659 HH22 ARG 74 HH22 ARG 74 -14.745 -3.908 -11.164 660 H LEU 75 H LEU 75 -9.715 -6.164 -5.899 661 HA LEU 75 HA LEU 75 -12.033 -7.956 -6.155 662 HB2 LEU 75 HB2 LEU 75 -9.680 -7.499 -7.968 663 HB3 LEU 75 HB3 LEU 75 -10.714 -8.907 -8.124 664 HG LEU 75 HG LEU 75 -11.601 -6.033 -8.393 665 HD11 LEU 75 HD11 LEU 75 -10.252 -6.798 -10.279 666 HD12 LEU 75 HD12 LEU 75 -11.942 -6.589 -10.743 667 HD13 LEU 75 HD13 LEU 75 -11.296 -8.207 -10.462 668 HD21 LEU 75 HD21 LEU 75 -13.133 -8.611 -8.713 669 HD22 LEU 75 HD22 LEU 75 -13.738 -7.005 -9.119 670 HD23 LEU 75 HD23 LEU 75 -13.360 -7.407 -7.444 671 H ARG 76 H ARG 76 -8.523 -7.937 -5.662 672 HA ARG 76 HA ARG 76 -8.633 -10.720 -4.761 673 HB2 ARG 76 HB2 ARG 76 -6.859 -9.907 -6.360 674 HB3 ARG 76 HB3 ARG 76 -6.227 -8.907 -5.062 675 HG2 ARG 76 HG2 ARG 76 -4.864 -10.790 -5.066 676 HG3 ARG 76 HG3 ARG 76 -5.988 -11.072 -3.739 677 HD2 ARG 76 HD2 ARG 76 -6.332 -12.192 -6.516 678 HD3 ARG 76 HD3 ARG 76 -5.558 -13.061 -5.196 679 HE ARG 76 HE ARG 76 -8.406 -12.476 -5.501 680 HH11 ARG 76 HH11 ARG 76 -5.826 -13.764 -3.496 681 HH12 ARG 76 HH12 ARG 76 -6.895 -14.753 -2.547 682 HH21 ARG 76 HH21 ARG 76 -9.806 -13.772 -4.254 683 HH22 ARG 76 HH22 ARG 76 -9.166 -14.755 -2.976 684 H GLN 77 H GLN 77 -10.061 -9.401 -3.074 685 HA GLN 77 HA GLN 77 -8.738 -7.841 -1.117 686 HB2 GLN 77 HB2 GLN 77 -10.805 -7.819 0.073 687 HB3 GLN 77 HB3 GLN 77 -11.181 -7.728 -1.638 688 HG2 GLN 77 HG2 GLN 77 -11.359 -10.215 0.055 689 HG3 GLN 77 HG3 GLN 77 -12.715 -9.187 -0.401 690 HE21 GLN 77 HE21 GLN 77 -13.426 -9.186 -2.540 691 HE22 GLN 77 HE22 GLN 77 -13.013 -10.451 -3.641 692 H HIS 78 H HIS 78 -9.007 -11.240 -1.521 693 HA HIS 78 HA HIS 78 -8.543 -11.852 1.262 694 HB2 HIS 78 HB2 HIS 78 -8.847 -13.482 -1.220 695 HB3 HIS 78 HB3 HIS 78 -8.058 -14.209 0.177 696 HD1 HIS 78 HD1 HIS 78 -9.638 -15.505 1.544 697 HD2 HIS 78 HD2 HIS 78 -11.482 -12.218 -0.223 698 HE1 HIS 78 HE1 HIS 78 -12.043 -15.596 2.273 699 HE2 HIS 78 HE2 HIS 78 -13.060 -13.459 1.415 700 H GLU 79 H GLU 79 -6.632 -10.522 -0.982 701 HA GLU 79 HA GLU 79 -4.194 -11.785 0.088 702 HB2 GLU 79 HB2 GLU 79 -4.905 -10.882 -2.532 703 HB3 GLU 79 HB3 GLU 79 -3.591 -9.876 -1.941 704 HG2 GLU 79 HG2 GLU 79 -2.573 -11.630 -3.093 705 HG3 GLU 79 HG3 GLU 79 -2.378 -12.017 -1.384 706 H LEU 80 H LEU 80 -6.223 -9.444 0.858 707 HA LEU 80 HA LEU 80 -4.122 -7.542 1.634 708 HB2 LEU 80 HB2 LEU 80 -5.367 -6.612 -0.231 709 HB3 LEU 80 HB3 LEU 80 -6.886 -6.921 0.588 710 HG LEU 80 HG LEU 80 -6.152 -5.315 2.377 711 HD11 LEU 80 HD11 LEU 80 -3.757 -5.399 1.965 712 HD12 LEU 80 HD12 LEU 80 -4.363 -3.747 1.831 713 HD13 LEU 80 HD13 LEU 80 -3.993 -4.672 0.373 714 HD21 LEU 80 HD21 LEU 80 -6.359 -4.191 -0.411 715 HD22 LEU 80 HD22 LEU 80 -6.715 -3.343 1.094 716 HD23 LEU 80 HD23 LEU 80 -7.718 -4.703 0.588 717 HA PRO 81 HA PRO 81 -6.001 -8.190 5.713 718 HB2 PRO 81 HB2 PRO 81 -4.284 -6.391 6.902 719 HB3 PRO 81 HB3 PRO 81 -3.933 -8.110 6.695 720 HG2 PRO 81 HG2 PRO 81 -3.024 -5.780 5.057 721 HG3 PRO 81 HG3 PRO 81 -2.132 -7.236 5.537 722 HD2 PRO 81 HD2 PRO 81 -3.156 -6.935 3.063 723 HD3 PRO 81 HD3 PRO 81 -3.071 -8.518 3.863 724 H ALA 82 H ALA 82 -7.920 -7.172 5.766 725 HA ALA 82 HA ALA 82 -8.376 -4.599 4.709 726 HB1 ALA 82 HB1 ALA 82 -10.133 -6.195 6.563 727 HB2 ALA 82 HB2 ALA 82 -10.097 -6.336 4.805 728 HB3 ALA 82 HB3 ALA 82 -10.631 -4.834 5.559 729 H MET 83 H MET 83 -7.155 -3.056 5.617 730 HA MET 83 HA MET 83 -7.987 -2.068 8.216 731 HB2 MET 83 HB2 MET 83 -5.656 -1.807 9.001 732 HB3 MET 83 HB3 MET 83 -6.088 -3.499 8.787 733 HG2 MET 83 HG2 MET 83 -4.954 -3.471 6.594 734 HG3 MET 83 HG3 MET 83 -4.456 -1.811 6.902 735 HE1 MET 83 HE1 MET 83 -1.147 -3.914 7.225 736 HE2 MET 83 HE2 MET 83 -1.928 -2.554 6.418 737 HE3 MET 83 HE3 MET 83 -2.498 -4.198 6.127 738 H ASP 84 H ASP 84 -6.760 0.127 8.587 739 HA ASP 84 HA ASP 84 -6.817 1.644 6.114 740 HB2 ASP 84 HB2 ASP 84 -6.212 2.533 8.952 741 HB3 ASP 84 HB3 ASP 84 -6.397 3.607 7.572 742 H PHE 85 H PHE 85 -5.053 1.821 4.870 743 HA PHE 85 HA PHE 85 -2.427 1.947 6.150 744 HB2 PHE 85 HB2 PHE 85 -1.477 0.293 4.599 745 HB3 PHE 85 HB3 PHE 85 -2.729 -0.423 5.604 746 HD1 PHE 85 HD2 PHE 85 -4.948 -0.936 4.627 747 HD2 PHE 85 HD1 PHE 85 -1.684 0.388 2.240 748 HE1 PHE 85 HE2 PHE 85 -6.102 -1.743 2.610 749 HE2 PHE 85 HE1 PHE 85 -2.830 -0.420 0.219 750 HZ PHE 85 HZ PHE 85 -5.041 -1.485 0.401 751 H VAL 86 H VAL 86 -0.717 2.644 4.619 752 HA VAL 86 HA VAL 86 -1.882 4.495 2.652 753 HB VAL 86 HB VAL 86 -0.891 5.720 4.481 754 HG11 VAL 86 HG11 VAL 86 1.652 4.207 3.900 755 HG12 VAL 86 HG12 VAL 86 0.644 4.050 5.339 756 HG13 VAL 86 HG13 VAL 86 1.500 5.559 5.022 757 HG21 VAL 86 HG21 VAL 86 -0.650 6.691 2.265 758 HG22 VAL 86 HG22 VAL 86 0.871 5.829 2.036 759 HG23 VAL 86 HG23 VAL 86 0.747 7.083 3.269 760 H VAL 87 H VAL 87 -1.205 4.449 0.610 761 HA VAL 87 HA VAL 87 0.997 2.616 -0.076 762 HB VAL 87 HB VAL 87 -1.236 3.592 -1.870 763 HG11 VAL 87 HG11 VAL 87 0.866 1.471 -2.302 764 HG12 VAL 87 HG12 VAL 87 0.807 3.053 -3.081 765 HG13 VAL 87 HG13 VAL 87 -0.449 1.858 -3.411 766 HG21 VAL 87 HG21 VAL 87 -0.894 0.922 -0.511 767 HG22 VAL 87 HG22 VAL 87 -2.140 1.319 -1.696 768 HG23 VAL 87 HG23 VAL 87 -2.116 2.137 -0.133 769 H VAL 88 H VAL 88 2.815 3.767 -0.318 770 HA VAL 88 HA VAL 88 2.649 6.496 -1.364 771 HB VAL 88 HB VAL 88 5.042 5.061 -0.196 772 HG11 VAL 88 HG11 VAL 88 5.624 6.897 -1.704 773 HG12 VAL 88 HG12 VAL 88 6.026 7.282 -0.031 774 HG13 VAL 88 HG13 VAL 88 4.590 7.984 -0.778 775 HG21 VAL 88 HG21 VAL 88 3.314 5.301 1.489 776 HG22 VAL 88 HG22 VAL 88 3.133 7.010 1.091 777 HG23 VAL 88 HG23 VAL 88 4.633 6.425 1.812 778 H ALA 89 H ALA 89 2.732 6.637 -3.506 779 HA ALA 89 HA ALA 89 4.210 4.708 -5.081 780 HB1 ALA 89 HB1 ALA 89 2.677 7.168 -5.936 781 HB2 ALA 89 HB2 ALA 89 2.048 5.521 -5.899 782 HB3 ALA 89 HB3 ALA 89 3.345 5.945 -7.016 783 H LYS 90 H LYS 90 6.253 4.955 -5.717 784 HA LYS 90 HA LYS 90 7.631 7.469 -5.174 785 HB2 LYS 90 HB2 LYS 90 8.759 4.873 -6.243 786 HB3 LYS 90 HB3 LYS 90 9.668 6.224 -5.583 787 HG2 LYS 90 HG2 LYS 90 7.695 4.658 -3.948 788 HG3 LYS 90 HG3 LYS 90 9.386 4.190 -4.104 789 HD2 LYS 90 HD2 LYS 90 10.038 6.409 -3.225 790 HD3 LYS 90 HD3 LYS 90 8.329 6.785 -2.986 791 HE2 LYS 90 HE2 LYS 90 8.099 4.984 -1.411 792 HE3 LYS 90 HE3 LYS 90 9.734 4.422 -1.749 793 HZ1 LYS 90 HZ1 LYS 90 10.570 6.534 -0.851 794 HZ2 LYS 90 HZ2 LYS 90 9.701 5.643 0.304 795 HZ3 LYS 90 HZ3 LYS 90 8.984 6.986 -0.444 796 H LYS 91 H LYS 91 9.551 7.585 -7.108 797 HA LYS 91 HA LYS 91 7.979 8.113 -9.507 798 HB2 LYS 91 HB2 LYS 91 9.602 9.826 -8.545 799 HB3 LYS 91 HB3 LYS 91 10.897 8.766 -9.088 800 HG2 LYS 91 HG2 LYS 91 10.181 8.996 -11.383 801 HG3 LYS 91 HG3 LYS 91 8.793 9.961 -10.879 802 HD2 LYS 91 HD2 LYS 91 10.451 11.469 -11.678 803 HD3 LYS 91 HD3 LYS 91 10.409 11.620 -9.921 804 HE2 LYS 91 HE2 LYS 91 12.701 11.595 -10.648 805 HE3 LYS 91 HE3 LYS 91 12.355 10.094 -9.790 806 HZ1 LYS 91 HZ1 LYS 91 12.060 9.002 -11.951 807 HZ2 LYS 91 HZ2 LYS 91 13.618 9.639 -11.766 808 HZ3 LYS 91 HZ3 LYS 91 12.487 10.442 -12.735 809 H GLY 92 H GLY 92 7.699 6.361 -10.697 810 HA2 GLY 92 HA2 GLY 92 9.736 5.140 -12.153 811 HA3 GLY 92 HA3 GLY 92 9.433 4.127 -10.748 812 H VAL 93 H VAL 93 6.654 4.633 -10.535 813 HA VAL 93 HA VAL 93 5.682 2.882 -12.630 814 HB VAL 93 HB VAL 93 5.082 2.615 -10.198 815 HG11 VAL 93 HG11 VAL 93 4.754 4.941 -9.612 816 HG12 VAL 93 HG12 VAL 93 3.293 4.011 -9.275 817 HG13 VAL 93 HG13 VAL 93 3.372 5.041 -10.704 818 HG21 VAL 93 HG21 VAL 93 2.813 2.908 -12.162 819 HG22 VAL 93 HG22 VAL 93 2.700 2.080 -10.608 820 HG23 VAL 93 HG23 VAL 93 3.781 1.462 -11.859 821 H ALA 94 H ALA 94 6.325 5.969 -12.734 822 HA ALA 94 HA ALA 94 3.778 7.038 -13.619 823 HB1 ALA 94 HB1 ALA 94 5.287 8.416 -12.252 824 HB2 ALA 94 HB2 ALA 94 4.934 9.157 -13.812 825 HB3 ALA 94 HB3 ALA 94 6.485 8.363 -13.544 826 H ASP 95 H ASP 95 6.651 5.689 -14.950 827 HA ASP 95 HA ASP 95 5.537 5.918 -17.625 828 HB2 ASP 95 HB2 ASP 95 6.953 7.903 -17.469 829 HB3 ASP 95 HB3 ASP 95 8.309 6.916 -16.933 830 H LEU 96 H LEU 96 5.326 3.793 -17.929 831 HA LEU 96 HA LEU 96 7.759 2.199 -18.109 832 HB2 LEU 96 HB2 LEU 96 5.339 1.437 -16.479 833 HB3 LEU 96 HB3 LEU 96 6.491 0.254 -17.061 834 HG LEU 96 HG LEU 96 7.157 2.535 -15.199 835 HD11 LEU 96 HD11 LEU 96 7.335 0.799 -13.484 836 HD12 LEU 96 HD12 LEU 96 6.773 -0.404 -14.643 837 HD13 LEU 96 HD13 LEU 96 5.699 0.897 -14.133 838 HD21 LEU 96 HD21 LEU 96 9.274 1.335 -14.898 839 HD22 LEU 96 HD22 LEU 96 9.046 1.847 -16.571 840 HD23 LEU 96 HD23 LEU 96 8.779 0.163 -16.119 841 H ASP 97 H ASP 97 7.266 0.082 -19.232 842 HA ASP 97 HA ASP 97 5.565 0.532 -21.497 843 HB2 ASP 97 HB2 ASP 97 7.285 -1.758 -20.596 844 HB3 ASP 97 HB3 ASP 97 6.143 -1.971 -21.919 845 H ASN 98 H ASN 98 3.919 -1.077 -22.162 846 HA ASN 98 HA ASN 98 1.845 -1.048 -20.271 847 HB2 ASN 98 HB2 ASN 98 1.537 -1.041 -22.745 848 HB3 ASN 98 HB3 ASN 98 2.005 -2.738 -22.778 849 HD21 ASN 98 HD21 ASN 98 -0.015 -3.270 -23.677 850 HD22 ASN 98 HD22 ASN 98 -1.452 -3.309 -22.716 851 H ARG 99 H ARG 99 3.965 -3.683 -21.330 852 HA ARG 99 HA ARG 99 2.663 -5.580 -19.600 853 HB2 ARG 99 HB2 ARG 99 3.654 -6.392 -21.654 854 HB3 ARG 99 HB3 ARG 99 5.228 -5.761 -21.189 855 HG2 ARG 99 HG2 ARG 99 5.528 -7.393 -19.542 856 HG3 ARG 99 HG3 ARG 99 3.817 -7.822 -19.530 857 HD2 ARG 99 HD2 ARG 99 5.650 -8.259 -21.884 858 HD3 ARG 99 HD3 ARG 99 5.307 -9.485 -20.664 859 HE ARG 99 HE ARG 99 3.115 -8.263 -22.208 860 HH11 ARG 99 HH11 ARG 99 5.008 -11.085 -21.355 861 HH12 ARG 99 HH12 ARG 99 3.816 -12.215 -21.931 862 HH21 ARG 99 HH21 ARG 99 1.561 -9.731 -22.981 863 HH22 ARG 99 HH22 ARG 99 1.863 -11.445 -22.895 864 H ALA 100 H ALA 100 5.438 -3.473 -19.448 865 HA ALA 100 HA ALA 100 6.765 -4.613 -17.263 866 HB1 ALA 100 HB1 ALA 100 7.861 -2.461 -16.999 867 HB2 ALA 100 HB2 ALA 100 6.650 -1.699 -18.031 868 HB3 ALA 100 HB3 ALA 100 7.756 -2.896 -18.706 869 H LEU 101 H LEU 101 4.320 -2.009 -17.334 870 HA LEU 101 HA LEU 101 4.254 -1.828 -14.483 871 HB2 LEU 101 HB2 LEU 101 2.277 -0.371 -14.838 872 HB3 LEU 101 HB3 LEU 101 3.702 0.133 -15.718 873 HG LEU 101 HG LEU 101 2.607 -1.135 -17.719 874 HD11 LEU 101 HD11 LEU 101 0.800 -2.173 -16.445 875 HD12 LEU 101 HD12 LEU 101 0.175 -1.100 -17.698 876 HD13 LEU 101 HD13 LEU 101 0.186 -0.577 -16.014 877 HD21 LEU 101 HD21 LEU 101 1.441 0.906 -18.366 878 HD22 LEU 101 HD22 LEU 101 2.998 1.268 -17.625 879 HD23 LEU 101 HD23 LEU 101 1.512 1.481 -16.701 880 H SER 102 H SER 102 2.840 -3.934 -16.739 881 HA SER 102 HA SER 102 0.565 -4.651 -15.137 882 HB2 SER 102 HB2 SER 102 0.575 -4.892 -17.617 883 HB3 SER 102 HB3 SER 102 1.802 -6.149 -17.463 884 HG SER 102 HG SER 102 -0.458 -6.502 -15.910 885 H GLU 103 H GLU 103 3.753 -6.072 -15.838 886 HA GLU 103 HA GLU 103 3.329 -8.300 -14.100 887 HB2 GLU 103 HB2 GLU 103 5.749 -8.734 -14.409 888 HB3 GLU 103 HB3 GLU 103 4.879 -8.549 -15.925 889 HG2 GLU 103 HG2 GLU 103 5.720 -6.289 -16.159 890 HG3 GLU 103 HG3 GLU 103 6.548 -6.423 -14.608 891 H ALA 104 H ALA 104 4.549 -5.066 -13.702 892 HA ALA 104 HA ALA 104 5.912 -5.322 -11.288 893 HB1 ALA 104 HB1 ALA 104 4.186 -3.020 -12.192 894 HB2 ALA 104 HB2 ALA 104 5.885 -3.261 -12.602 895 HB3 ALA 104 HB3 ALA 104 5.416 -2.959 -10.928 896 H LEU 105 H LEU 105 2.492 -5.274 -11.978 897 HA LEU 105 HA LEU 105 1.595 -4.931 -9.311 898 HB2 LEU 105 HB2 LEU 105 0.191 -4.478 -11.267 899 HB3 LEU 105 HB3 LEU 105 0.210 -6.181 -11.684 900 HG LEU 105 HG LEU 105 -0.999 -6.693 -9.592 901 HD11 LEU 105 HD11 LEU 105 -1.134 -3.698 -9.269 902 HD12 LEU 105 HD12 LEU 105 -0.218 -4.806 -8.251 903 HD13 LEU 105 HD13 LEU 105 -1.980 -4.887 -8.278 904 HD21 LEU 105 HD21 LEU 105 -3.153 -5.770 -10.277 905 HD22 LEU 105 HD22 LEU 105 -2.231 -6.339 -11.668 906 HD23 LEU 105 HD23 LEU 105 -2.330 -4.612 -11.323 907 H GLU 106 H GLU 106 2.391 -7.784 -11.259 908 HA GLU 106 HA GLU 106 1.321 -9.608 -9.333 909 HB2 GLU 106 HB2 GLU 106 2.078 -11.359 -10.696 910 HB3 GLU 106 HB3 GLU 106 1.666 -10.079 -11.822 911 HG2 GLU 106 HG2 GLU 106 3.641 -10.551 -12.742 912 HG3 GLU 106 HG3 GLU 106 4.304 -9.588 -11.423 913 H LYS 107 H LYS 107 4.328 -7.943 -9.738 914 HA LYS 107 HA LYS 107 5.929 -9.572 -8.073 915 HB2 LYS 107 HB2 LYS 107 6.196 -6.571 -8.233 916 HB3 LYS 107 HB3 LYS 107 7.448 -7.749 -7.887 917 HG2 LYS 107 HG2 LYS 107 6.194 -7.060 -10.516 918 HG3 LYS 107 HG3 LYS 107 7.892 -7.020 -10.052 919 HD2 LYS 107 HD2 LYS 107 6.196 -9.476 -10.480 920 HD3 LYS 107 HD3 LYS 107 7.471 -8.881 -11.540 921 HE2 LYS 107 HE2 LYS 107 9.135 -9.322 -9.840 922 HE3 LYS 107 HE3 LYS 107 7.879 -9.811 -8.700 923 HZ1 LYS 107 HZ1 LYS 107 8.639 -11.176 -11.224 924 HZ2 LYS 107 HZ2 LYS 107 7.272 -11.587 -10.307 925 HZ3 LYS 107 HZ3 LYS 107 8.824 -11.771 -9.643 926 H LEU 108 H LEU 108 3.857 -6.794 -7.438 927 HA LEU 108 HA LEU 108 4.243 -6.718 -4.636 928 HB2 LEU 108 HB2 LEU 108 1.882 -5.774 -6.272 929 HB3 LEU 108 HB3 LEU 108 2.221 -5.323 -4.613 930 HG LEU 108 HG LEU 108 3.969 -4.644 -6.977 931 HD11 LEU 108 HD11 LEU 108 1.837 -3.471 -7.057 932 HD12 LEU 108 HD12 LEU 108 3.148 -2.364 -6.652 933 HD13 LEU 108 HD13 LEU 108 2.057 -2.938 -5.391 934 HD21 LEU 108 HD21 LEU 108 5.129 -3.185 -5.404 935 HD22 LEU 108 HD22 LEU 108 5.211 -4.867 -4.884 936 HD23 LEU 108 HD23 LEU 108 4.092 -3.756 -4.098 937 H TRP 109 H TRP 109 1.706 -8.141 -6.682 938 HA TRP 109 HA TRP 109 0.058 -9.061 -4.622 939 HB2 TRP 109 HB2 TRP 109 -0.844 -8.971 -6.823 940 HB3 TRP 109 HB3 TRP 109 0.424 -10.013 -7.462 941 HD1 TRP 109 HD1 TRP 109 -2.364 -10.372 -4.761 942 HE1 TRP 109 HE1 TRP 109 -3.367 -12.738 -4.976 943 HE3 TRP 109 HE3 TRP 109 0.533 -12.126 -8.594 944 HZ2 TRP 109 HZ2 TRP 109 -2.987 -15.029 -6.585 945 HZ3 TRP 109 HZ3 TRP 109 0.146 -14.413 -9.413 946 HH2 TRP 109 HH2 TRP 109 -1.578 -15.835 -8.429 947 H ARG 110 H ARG 110 2.491 -10.907 -6.480 948 HA ARG 110 HA ARG 110 2.003 -13.347 -5.179 949 HB2 ARG 110 HB2 ARG 110 3.142 -13.176 -7.343 950 HB3 ARG 110 HB3 ARG 110 4.518 -12.410 -6.563 951 HG2 ARG 110 HG2 ARG 110 4.914 -14.456 -5.272 952 HG3 ARG 110 HG3 ARG 110 3.555 -15.225 -6.093 953 HD2 ARG 110 HD2 ARG 110 4.697 -14.920 -8.245 954 HD3 ARG 110 HD3 ARG 110 6.055 -14.166 -7.410 955 HE ARG 110 HE ARG 110 5.598 -16.691 -6.284 956 HH11 ARG 110 HH11 ARG 110 6.751 -15.279 -9.284 957 HH12 ARG 110 HH12 ARG 110 7.751 -16.646 -9.675 958 HH21 ARG 110 HH21 ARG 110 6.912 -18.476 -6.808 959 HH22 ARG 110 HH22 ARG 110 7.841 -18.453 -8.283 960 H ARG 111 H ARG 111 4.122 -10.672 -4.338 961 HA ARG 111 HA ARG 111 5.441 -12.202 -2.271 962 HB2 ARG 111 HB2 ARG 111 6.572 -10.360 -3.563 963 HB3 ARG 111 HB3 ARG 111 5.546 -9.214 -2.709 964 HG2 ARG 111 HG2 ARG 111 7.760 -9.378 -1.697 965 HG3 ARG 111 HG3 ARG 111 6.498 -9.916 -0.583 966 HD2 ARG 111 HD2 ARG 111 6.972 -12.247 -1.237 967 HD3 ARG 111 HD3 ARG 111 8.297 -11.671 -2.246 968 HE ARG 111 HE ARG 111 8.643 -10.734 0.386 969 HH11 ARG 111 HH11 ARG 111 8.809 -13.684 -1.484 970 HH12 ARG 111 HH12 ARG 111 9.959 -14.446 -0.431 971 HH21 ARG 111 HH21 ARG 111 10.162 -11.724 1.787 972 HH22 ARG 111 HH22 ARG 111 10.736 -13.328 1.427 973 H HIS 112 H HIS 112 2.942 -9.722 -2.497 974 HA HIS 112 HA HIS 112 2.684 -9.267 0.290 975 HB2 HIS 112 HB2 HIS 112 1.795 -7.843 -1.684 976 HB3 HIS 112 HB3 HIS 112 0.419 -8.941 -1.671 977 HD1 HIS 112 HD1 HIS 112 -1.342 -8.593 0.147 978 HD2 HIS 112 HD2 HIS 112 2.031 -6.200 0.618 979 HE1 HIS 112 HE1 HIS 112 -1.943 -6.912 1.914 980 HE2 HIS 112 HE2 HIS 112 0.052 -5.379 2.061 981 H CYS 113 H CYS 113 1.194 -11.521 -1.957 982 HA CYS 113 HA CYS 113 -0.821 -12.579 -0.352 983 HB2 CYS 113 HB2 CYS 113 -0.558 -13.094 -2.741 984 HB3 CYS 113 HB3 CYS 113 0.908 -14.001 -2.390 985 HG CYS 113 HG CYS 113 -2.307 -14.841 -1.603 986 H ARG 114 H ARG 114 2.541 -13.673 -0.715 987 HA ARG 114 HA ARG 114 2.401 -15.806 1.092 988 HB2 ARG 114 HB2 ARG 114 4.739 -14.114 0.212 989 HB3 ARG 114 HB3 ARG 114 4.905 -15.558 1.196 990 HG2 ARG 114 HG2 ARG 114 3.757 -15.447 -1.585 991 HG3 ARG 114 HG3 ARG 114 5.373 -16.005 -1.148 992 HD2 ARG 114 HD2 ARG 114 2.759 -17.238 -0.285 993 HD3 ARG 114 HD3 ARG 114 3.867 -17.887 -1.491 994 HE ARG 114 HE ARG 114 4.828 -17.507 1.265 995 HH11 ARG 114 HH11 ARG 114 3.952 -19.669 -1.363 996 HH12 ARG 114 HH12 ARG 114 4.598 -21.077 -0.582 997 HH21 ARG 114 HH21 ARG 114 5.651 -19.383 2.293 998 HH22 ARG 114 HH22 ARG 114 5.566 -20.916 1.461 999 H LEU 115 H LEU 115 3.542 -12.478 1.565 1000 HA LEU 115 HA LEU 115 4.325 -12.877 4.258 1001 HB2 LEU 115 HB2 LEU 115 5.215 -11.129 2.727 1002 HB3 LEU 115 HB3 LEU 115 3.686 -10.281 2.862 1003 HG LEU 115 HG LEU 115 4.078 -10.020 5.297 1004 HD11 LEU 115 HD11 LEU 115 5.522 -11.949 5.643 1005 HD12 LEU 115 HD12 LEU 115 6.304 -10.467 6.198 1006 HD13 LEU 115 HD13 LEU 115 6.781 -11.196 4.663 1007 HD21 LEU 115 HD21 LEU 115 4.679 -8.234 3.762 1008 HD22 LEU 115 HD22 LEU 115 6.262 -8.966 3.506 1009 HD23 LEU 115 HD23 LEU 115 5.835 -8.323 5.091 1010 H ALA 116 H ALA 116 1.312 -11.800 2.786 1011 HA ALA 116 HA ALA 116 0.211 -10.736 5.198 1012 HB1 ALA 116 HB1 ALA 116 -0.573 -9.986 3.021 1013 HB2 ALA 116 HB2 ALA 116 -1.900 -10.649 3.971 1014 HB3 ALA 116 HB3 ALA 116 -1.187 -11.600 2.671 1015 H ARG 117 H ARG 117 0.265 -13.898 3.712 1016 HA ARG 117 HA ARG 117 -1.769 -14.898 5.529 1017 HB2 ARG 117 HB2 ARG 117 -0.118 -16.367 3.470 1018 HB3 ARG 117 HB3 ARG 117 -1.456 -17.052 4.381 1019 HG2 ARG 117 HG2 ARG 117 -2.950 -15.349 3.349 1020 HG3 ARG 117 HG3 ARG 117 -1.592 -14.837 2.346 1021 HD2 ARG 117 HD2 ARG 117 -1.421 -17.182 1.514 1022 HD3 ARG 117 HD3 ARG 117 -2.901 -17.550 2.395 1023 HE ARG 117 HE ARG 117 -3.027 -15.355 0.486 1024 HH11 ARG 117 HH11 ARG 117 -3.749 -18.713 1.211 1025 HH12 ARG 117 HH12 ARG 117 -4.809 -18.896 -0.153 1026 HH21 ARG 117 HH21 ARG 117 -4.414 -15.596 -1.292 1027 HH22 ARG 117 HH22 ARG 117 -5.174 -17.145 -1.591 1028 H GLY 118 H GLY 118 1.720 -15.112 5.058 1029 HA2 GLY 118 HA2 GLY 118 2.241 -15.528 7.775 1030 HA3 GLY 118 HA3 GLY 118 2.214 -17.102 6.992 1031 H SER 119 H SER 119 3.691 -17.441 5.195 1032 HA SER 119 HA SER 119 5.900 -15.625 4.885 1033 HB2 SER 119 HB2 SER 119 6.433 -16.870 7.006 1034 HB3 SER 119 HB3 SER 119 6.416 -18.366 6.077 1035 HG SER 119 HG SER 119 8.126 -17.502 4.808 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -10.254 2.214 23.604 2 H2 MET 1 H2 MET 1 -10.975 0.723 23.236 3 H3 MET 1 H3 MET 1 -11.943 2.083 23.538 4 HA MET 1 HA MET 1 -11.795 1.536 21.167 5 HB2 MET 1 HB2 MET 1 -11.261 3.814 20.408 6 HB3 MET 1 HB3 MET 1 -12.263 3.831 21.851 7 HG2 MET 1 HG2 MET 1 -10.365 4.375 23.222 8 HG3 MET 1 HG3 MET 1 -9.277 4.208 21.845 9 HE1 MET 1 HE1 MET 1 -8.283 6.598 22.528 10 HE2 MET 1 HE2 MET 1 -9.460 6.754 23.832 11 HE3 MET 1 HE3 MET 1 -9.260 8.059 22.662 12 H VAL 2 H VAL 2 -9.284 0.458 22.545 13 HA VAL 2 HA VAL 2 -7.106 1.416 20.924 14 HB VAL 2 HB VAL 2 -7.212 -0.951 22.804 15 HG11 VAL 2 HG11 VAL 2 -5.415 -1.148 21.166 16 HG12 VAL 2 HG12 VAL 2 -4.770 -0.834 22.777 17 HG13 VAL 2 HG13 VAL 2 -4.842 0.467 21.588 18 HG21 VAL 2 HG21 VAL 2 -6.209 1.861 23.245 19 HG22 VAL 2 HG22 VAL 2 -6.043 0.523 24.385 20 HG23 VAL 2 HG23 VAL 2 -7.645 1.138 23.970 21 H LYS 3 H LYS 3 -7.220 0.909 18.809 22 HA LYS 3 HA LYS 3 -7.570 -1.917 18.123 23 HB2 LYS 3 HB2 LYS 3 -7.703 -1.176 15.771 24 HB3 LYS 3 HB3 LYS 3 -8.944 -0.448 16.774 25 HG2 LYS 3 HG2 LYS 3 -6.404 1.028 16.221 26 HG3 LYS 3 HG3 LYS 3 -7.691 0.980 15.017 27 HD2 LYS 3 HD2 LYS 3 -7.938 1.984 17.854 28 HD3 LYS 3 HD3 LYS 3 -7.868 2.981 16.400 29 HE2 LYS 3 HE2 LYS 3 -9.936 1.813 15.607 30 HE3 LYS 3 HE3 LYS 3 -10.036 1.039 17.188 31 HZ1 LYS 3 HZ1 LYS 3 -10.041 3.349 18.137 32 HZ2 LYS 3 HZ2 LYS 3 -11.428 2.913 17.271 33 HZ3 LYS 3 HZ3 LYS 3 -10.266 3.925 16.558 34 H LEU 4 H LEU 4 -5.322 0.779 17.901 35 HA LEU 4 HA LEU 4 -3.176 -1.174 17.431 36 HB2 LEU 4 HB2 LEU 4 -3.597 1.558 16.312 37 HB3 LEU 4 HB3 LEU 4 -1.955 1.062 16.667 38 HG LEU 4 HG LEU 4 -2.423 0.674 14.341 39 HD11 LEU 4 HD11 LEU 4 -2.354 -1.901 15.899 40 HD12 LEU 4 HD12 LEU 4 -0.969 -0.918 15.431 41 HD13 LEU 4 HD13 LEU 4 -1.932 -1.725 14.198 42 HD21 LEU 4 HD21 LEU 4 -4.868 0.507 14.501 43 HD22 LEU 4 HD22 LEU 4 -4.701 -1.089 15.232 44 HD23 LEU 4 HD23 LEU 4 -4.173 -0.819 13.571 45 H ALA 5 H ALA 5 -2.223 -1.520 19.325 46 HA ALA 5 HA ALA 5 -2.023 0.649 21.260 47 HB1 ALA 5 HB1 ALA 5 -1.190 -1.033 22.803 48 HB2 ALA 5 HB2 ALA 5 -1.135 -2.224 21.504 49 HB3 ALA 5 HB3 ALA 5 -2.686 -1.578 22.042 50 H PHE 6 H PHE 6 -0.580 2.007 20.230 51 HA PHE 6 HA PHE 6 2.172 1.011 19.971 52 HB2 PHE 6 HB2 PHE 6 2.559 3.010 18.533 53 HB3 PHE 6 HB3 PHE 6 1.342 1.922 17.877 54 HD1 PHE 6 HD1 PHE 6 1.913 5.185 19.478 55 HD2 PHE 6 HD2 PHE 6 -0.931 2.608 17.636 56 HE1 PHE 6 HE1 PHE 6 0.339 7.067 19.278 57 HE2 PHE 6 HE2 PHE 6 -2.510 4.484 17.439 58 HZ PHE 6 HZ PHE 6 -1.874 6.717 18.259 59 HA PRO 7 HA PRO 7 3.660 3.529 23.288 60 HB2 PRO 7 HB2 PRO 7 5.476 4.983 21.443 61 HB3 PRO 7 HB3 PRO 7 5.855 4.068 22.907 62 HG2 PRO 7 HG2 PRO 7 6.412 3.068 20.506 63 HG3 PRO 7 HG3 PRO 7 5.802 2.028 21.808 64 HD2 PRO 7 HD2 PRO 7 4.351 3.159 19.446 65 HD3 PRO 7 HD3 PRO 7 4.226 1.545 20.178 66 H ARG 8 H ARG 8 2.042 4.841 23.875 67 HA ARG 8 HA ARG 8 1.105 7.064 22.360 68 HB2 ARG 8 HB2 ARG 8 -0.230 7.564 24.392 69 HB3 ARG 8 HB3 ARG 8 -0.384 5.889 23.875 70 HG2 ARG 8 HG2 ARG 8 1.224 5.210 25.583 71 HG3 ARG 8 HG3 ARG 8 1.374 6.888 26.104 72 HD2 ARG 8 HD2 ARG 8 -0.972 6.927 26.732 73 HD3 ARG 8 HD3 ARG 8 -1.174 5.276 26.147 74 HE ARG 8 HE ARG 8 0.425 4.611 27.921 75 HH11 ARG 8 HH11 ARG 8 -1.328 7.626 28.230 76 HH12 ARG 8 HH12 ARG 8 -1.193 7.672 29.964 77 HH21 ARG 8 HH21 ARG 8 0.586 4.651 30.188 78 HH22 ARG 8 HH22 ARG 8 -0.088 5.986 31.079 79 H GLU 9 H GLU 9 3.709 6.581 24.453 80 HA GLU 9 HA GLU 9 3.997 9.292 25.348 81 HB2 GLU 9 HB2 GLU 9 6.241 8.498 26.097 82 HB3 GLU 9 HB3 GLU 9 4.904 7.531 26.707 83 HG2 GLU 9 HG2 GLU 9 5.363 5.971 24.744 84 HG3 GLU 9 HG3 GLU 9 6.884 6.846 24.564 85 H LEU 10 H LEU 10 4.884 7.466 22.565 86 HA LEU 10 HA LEU 10 6.821 9.488 21.714 87 HB2 LEU 10 HB2 LEU 10 6.158 6.784 20.542 88 HB3 LEU 10 HB3 LEU 10 7.374 7.879 19.912 89 HG LEU 10 HG LEU 10 7.432 6.557 22.628 90 HD11 LEU 10 HD11 LEU 10 9.084 6.066 20.154 91 HD12 LEU 10 HD12 LEU 10 7.844 4.993 20.802 92 HD13 LEU 10 HD13 LEU 10 9.317 5.295 21.723 93 HD21 LEU 10 HD21 LEU 10 9.714 7.481 22.764 94 HD22 LEU 10 HD22 LEU 10 8.482 8.742 22.709 95 HD23 LEU 10 HD23 LEU 10 9.427 8.369 21.266 96 H ARG 11 H ARG 11 3.746 8.019 20.820 97 HA ARG 11 HA ARG 11 3.356 10.238 18.933 98 HB2 ARG 11 HB2 ARG 11 3.663 7.589 18.157 99 HB3 ARG 11 HB3 ARG 11 1.919 7.822 18.170 100 HG2 ARG 11 HG2 ARG 11 2.672 8.342 15.985 101 HG3 ARG 11 HG3 ARG 11 2.279 9.874 16.773 102 HD2 ARG 11 HD2 ARG 11 4.832 9.776 17.444 103 HD3 ARG 11 HD3 ARG 11 4.928 8.742 16.021 104 HE ARG 11 HE ARG 11 3.755 11.432 15.874 105 HH11 ARG 11 HH11 ARG 11 6.043 9.045 14.758 106 HH12 ARG 11 HH12 ARG 11 6.673 10.046 13.486 107 HH21 ARG 11 HH21 ARG 11 4.565 12.763 14.228 108 HH22 ARG 11 HH22 ARG 11 5.811 12.166 13.169 109 H LEU 12 H LEU 12 1.320 11.114 18.887 110 HA LEU 12 HA LEU 12 -0.421 10.350 21.089 111 HB2 LEU 12 HB2 LEU 12 -0.442 12.709 19.209 112 HB3 LEU 12 HB3 LEU 12 -1.735 12.400 20.351 113 HG LEU 12 HG LEU 12 0.104 12.458 22.155 114 HD11 LEU 12 HD11 LEU 12 1.548 13.859 19.913 115 HD12 LEU 12 HD12 LEU 12 2.028 12.347 20.678 116 HD13 LEU 12 HD13 LEU 12 2.041 13.845 21.606 117 HD21 LEU 12 HD21 LEU 12 -1.601 14.161 21.933 118 HD22 LEU 12 HD22 LEU 12 -0.673 14.953 20.660 119 HD23 LEU 12 HD23 LEU 12 -0.043 14.899 22.305 120 H LEU 13 H LEU 13 -2.892 10.688 20.451 121 HA LEU 13 HA LEU 13 -3.451 8.489 18.711 122 HB2 LEU 13 HB2 LEU 13 -4.732 8.884 20.764 123 HB3 LEU 13 HB3 LEU 13 -5.318 10.402 20.112 124 HG LEU 13 HG LEU 13 -6.447 9.126 18.291 125 HD11 LEU 13 HD11 LEU 13 -5.612 6.740 19.931 126 HD12 LEU 13 HD12 LEU 13 -5.083 7.127 18.294 127 HD13 LEU 13 HD13 LEU 13 -6.770 6.711 18.602 128 HD21 LEU 13 HD21 LEU 13 -8.265 8.284 19.705 129 HD22 LEU 13 HD22 LEU 13 -7.688 9.861 20.239 130 HD23 LEU 13 HD23 LEU 13 -7.214 8.405 21.116 131 H THR 14 H THR 14 -2.720 9.198 16.689 132 HA THR 14 HA THR 14 -4.490 11.154 15.382 133 HB THR 14 HB THR 14 -2.712 11.177 13.575 134 HG1 THR 14 HG1 THR 14 -1.760 9.137 14.488 135 HG21 THR 14 HG21 THR 14 -1.188 12.642 14.833 136 HG22 THR 14 HG22 THR 14 -1.893 12.067 16.344 137 HG23 THR 14 HG23 THR 14 -2.878 12.984 15.205 138 HA PRO 15 HA PRO 15 -5.993 7.227 13.693 139 HB2 PRO 15 HB2 PRO 15 -8.438 8.103 12.990 140 HB3 PRO 15 HB3 PRO 15 -8.014 7.741 14.668 141 HG2 PRO 15 HG2 PRO 15 -8.181 10.384 13.282 142 HG3 PRO 15 HG3 PRO 15 -8.714 9.938 14.912 143 HD2 PRO 15 HD2 PRO 15 -6.363 11.243 14.369 144 HD3 PRO 15 HD3 PRO 15 -6.625 10.230 15.802 145 H SER 16 H SER 16 -5.106 10.050 12.190 146 HA SER 16 HA SER 16 -6.103 9.702 9.574 147 HB2 SER 16 HB2 SER 16 -3.498 11.017 10.359 148 HB3 SER 16 HB3 SER 16 -4.491 11.360 8.940 149 HG SER 16 HG SER 16 -4.629 12.774 10.951 150 H GLN 17 H GLN 17 -5.322 8.579 7.840 151 HA GLN 17 HA GLN 17 -3.930 6.204 8.243 152 HB2 GLN 17 HB2 GLN 17 -4.498 7.806 5.761 153 HB3 GLN 17 HB3 GLN 17 -3.612 6.290 5.691 154 HG2 GLN 17 HG2 GLN 17 -5.493 5.099 6.614 155 HG3 GLN 17 HG3 GLN 17 -6.377 6.607 6.831 156 HE21 GLN 17 HE21 GLN 17 -6.945 4.145 5.246 157 HE22 GLN 17 HE22 GLN 17 -7.257 4.732 3.639 158 H PHE 18 H PHE 18 -2.716 9.369 7.395 159 HA PHE 18 HA PHE 18 -0.169 8.399 6.485 160 HB2 PHE 18 HB2 PHE 18 -1.025 11.231 7.102 161 HB3 PHE 18 HB3 PHE 18 0.393 10.748 6.179 162 HD1 PHE 18 HD2 PHE 18 0.052 9.556 3.984 163 HD2 PHE 18 HD1 PHE 18 -3.102 11.502 6.074 164 HE1 PHE 18 HE2 PHE 18 -1.278 9.620 1.915 165 HE2 PHE 18 HE1 PHE 18 -4.439 11.567 4.011 166 HZ PHE 18 HZ PHE 18 -3.525 10.626 1.925 167 H THR 19 H THR 19 -1.310 8.501 9.542 168 HA THR 19 HA THR 19 1.389 8.891 10.592 169 HB THR 19 HB THR 19 -0.966 10.268 11.891 170 HG1 THR 19 HG1 THR 19 0.662 10.999 9.804 171 HG21 THR 19 HG21 THR 19 0.763 11.416 13.196 172 HG22 THR 19 HG22 THR 19 2.015 10.493 12.364 173 HG23 THR 19 HG23 THR 19 0.869 9.669 13.423 174 H PHE 20 H PHE 20 -1.833 7.591 10.994 175 HA PHE 20 HA PHE 20 -1.639 6.508 13.548 176 HB2 PHE 20 HB2 PHE 20 -3.672 6.639 12.018 177 HB3 PHE 20 HB3 PHE 20 -3.065 5.183 11.239 178 HD1 PHE 20 HD2 PHE 20 -3.338 6.240 14.803 179 HD2 PHE 20 HD1 PHE 20 -4.358 3.389 11.816 180 HE1 PHE 20 HE2 PHE 20 -4.479 4.880 16.502 181 HE2 PHE 20 HE1 PHE 20 -5.502 2.021 13.510 182 HZ PHE 20 HZ PHE 20 -5.564 2.767 15.858 183 H VAL 21 H VAL 21 -0.740 5.074 10.435 184 HA VAL 21 HA VAL 21 0.429 2.762 11.792 185 HB VAL 21 HB VAL 21 -1.075 2.452 9.812 186 HG11 VAL 21 HG11 VAL 21 -0.190 2.905 7.573 187 HG12 VAL 21 HG12 VAL 21 1.213 3.695 8.291 188 HG13 VAL 21 HG13 VAL 21 -0.394 4.386 8.508 189 HG21 VAL 21 HG21 VAL 21 0.308 0.766 8.706 190 HG22 VAL 21 HG22 VAL 21 0.501 0.710 10.459 191 HG23 VAL 21 HG23 VAL 21 1.750 1.454 9.456 192 H PHE 22 H PHE 22 1.476 5.709 11.355 193 HA PHE 22 HA PHE 22 3.865 5.253 9.775 194 HB2 PHE 22 HB2 PHE 22 2.394 7.370 9.754 195 HB3 PHE 22 HB3 PHE 22 3.184 7.778 11.272 196 HD1 PHE 22 HD2 PHE 22 4.148 6.635 7.848 197 HD2 PHE 22 HD1 PHE 22 4.961 9.210 11.136 198 HE1 PHE 22 HE2 PHE 22 6.006 7.647 6.591 199 HE2 PHE 22 HE1 PHE 22 6.817 10.229 9.886 200 HZ PHE 22 HZ PHE 22 7.343 9.446 7.611 201 H GLN 23 H GLN 23 3.274 4.159 12.630 202 HA GLN 23 HA GLN 23 5.328 5.231 14.297 203 HB2 GLN 23 HB2 GLN 23 4.290 2.411 14.522 204 HB3 GLN 23 HB3 GLN 23 4.838 3.481 15.802 205 HG2 GLN 23 HG2 GLN 23 2.277 3.706 14.238 206 HG3 GLN 23 HG3 GLN 23 2.450 3.199 15.917 207 HE21 GLN 23 HE21 GLN 23 0.900 5.369 14.786 208 HE22 GLN 23 HE22 GLN 23 1.458 6.813 15.553 209 H GLN 24 H GLN 24 5.132 1.934 13.050 210 HA GLN 24 HA GLN 24 7.669 2.186 11.669 211 HB2 GLN 24 HB2 GLN 24 7.162 0.194 13.881 212 HB3 GLN 24 HB3 GLN 24 8.345 -0.105 12.618 213 HG2 GLN 24 HG2 GLN 24 9.510 1.973 13.268 214 HG3 GLN 24 HG3 GLN 24 8.360 2.163 14.593 215 HE21 GLN 24 HE21 GLN 24 10.992 0.261 13.326 216 HE22 GLN 24 HE22 GLN 24 11.395 -0.525 14.819 217 HA PRO 25 HA PRO 25 4.235 -0.061 9.524 218 HB2 PRO 25 HB2 PRO 25 4.515 1.167 7.129 219 HB3 PRO 25 HB3 PRO 25 3.585 1.871 8.456 220 HG2 PRO 25 HG2 PRO 25 6.379 2.478 7.573 221 HG3 PRO 25 HG3 PRO 25 5.094 3.596 8.064 222 HD2 PRO 25 HD2 PRO 25 7.112 2.850 9.721 223 HD3 PRO 25 HD3 PRO 25 5.489 3.262 10.306 224 H GLN 26 H GLN 26 4.477 -1.921 8.415 225 HA GLN 26 HA GLN 26 7.053 -2.847 7.690 226 HB2 GLN 26 HB2 GLN 26 4.273 -3.900 7.392 227 HB3 GLN 26 HB3 GLN 26 5.548 -4.624 6.423 228 HG2 GLN 26 HG2 GLN 26 5.151 -5.853 8.493 229 HG3 GLN 26 HG3 GLN 26 6.786 -5.200 8.416 230 HE21 GLN 26 HE21 GLN 26 3.696 -5.024 9.983 231 HE22 GLN 26 HE22 GLN 26 4.205 -4.043 11.312 232 H ARG 27 H ARG 27 8.140 -1.915 6.108 233 HA ARG 27 HA ARG 27 6.927 -0.703 3.838 234 HB2 ARG 27 HB2 ARG 27 9.220 -0.204 4.959 235 HB3 ARG 27 HB3 ARG 27 9.815 -1.545 3.996 236 HG2 ARG 27 HG2 ARG 27 8.442 0.854 2.809 237 HG3 ARG 27 HG3 ARG 27 10.186 0.745 3.037 238 HD2 ARG 27 HD2 ARG 27 8.496 -1.125 1.378 239 HD3 ARG 27 HD3 ARG 27 9.534 0.154 0.751 240 HE ARG 27 HE ARG 27 11.175 -1.433 2.279 241 HH11 ARG 27 HH11 ARG 27 9.097 -1.910 -0.500 242 HH12 ARG 27 HH12 ARG 27 10.044 -3.222 -1.141 243 HH21 ARG 27 HH21 ARG 27 12.392 -3.176 1.470 244 HH22 ARG 27 HH22 ARG 27 11.910 -3.950 -0.009 245 H ALA 28 H ALA 28 5.744 -2.084 2.618 246 HA ALA 28 HA ALA 28 7.127 -4.475 1.588 247 HB1 ALA 28 HB1 ALA 28 4.928 -5.506 1.325 248 HB2 ALA 28 HB2 ALA 28 4.163 -4.050 1.967 249 HB3 ALA 28 HB3 ALA 28 5.203 -5.029 3.003 250 H GLY 29 H GLY 29 5.723 -5.165 -0.518 251 HA2 GLY 29 HA2 GLY 29 4.869 -4.535 -2.599 252 HA3 GLY 29 HA3 GLY 29 5.134 -2.849 -2.174 253 H THR 30 H THR 30 6.462 -1.994 -3.602 254 HA THR 30 HA THR 30 8.953 -3.416 -4.249 255 HB THR 30 HB THR 30 8.756 -2.534 -6.592 256 HG1 THR 30 HG1 THR 30 6.071 -2.013 -5.777 257 HG21 THR 30 HG21 THR 30 7.164 -4.235 -7.366 258 HG22 THR 30 HG22 THR 30 6.568 -4.422 -5.717 259 HG23 THR 30 HG23 THR 30 8.229 -4.869 -6.111 260 HA PRO 31 HA PRO 31 11.007 0.536 -3.767 261 HB2 PRO 31 HB2 PRO 31 12.111 0.351 -6.503 262 HB3 PRO 31 HB3 PRO 31 12.956 0.467 -4.956 263 HG2 PRO 31 HG2 PRO 31 12.906 -1.818 -6.339 264 HG3 PRO 31 HG3 PRO 31 12.831 -1.809 -4.567 265 HD2 PRO 31 HD2 PRO 31 10.632 -2.198 -6.560 266 HD3 PRO 31 HD3 PRO 31 10.915 -3.031 -5.016 267 H GLN 32 H GLN 32 9.206 -0.022 -6.735 268 HA GLN 32 HA GLN 32 8.990 2.775 -7.392 269 HB2 GLN 32 HB2 GLN 32 7.511 0.362 -8.463 270 HB3 GLN 32 HB3 GLN 32 7.324 1.996 -9.086 271 HG2 GLN 32 HG2 GLN 32 8.829 1.206 -10.577 272 HG3 GLN 32 HG3 GLN 32 9.943 1.812 -9.356 273 HE21 GLN 32 HE21 GLN 32 10.322 -0.253 -11.362 274 HE22 GLN 32 HE22 GLN 32 10.752 -1.691 -10.496 275 H ILE 33 H ILE 33 6.677 0.295 -6.299 276 HA ILE 33 HA ILE 33 5.091 2.473 -5.115 277 HB ILE 33 HB ILE 33 3.850 1.638 -6.986 278 HG12 ILE 33 HG12 ILE 33 2.722 0.454 -4.444 279 HG13 ILE 33 HG13 ILE 33 2.565 2.134 -4.950 280 HG21 ILE 33 HG21 ILE 33 4.946 -0.494 -7.306 281 HG22 ILE 33 HG22 ILE 33 3.197 -0.712 -7.225 282 HG23 ILE 33 HG23 ILE 33 4.204 -1.122 -5.835 283 HD11 ILE 33 HD11 ILE 33 1.443 -0.260 -6.387 284 HD12 ILE 33 HD12 ILE 33 1.298 1.416 -6.914 285 HD13 ILE 33 HD13 ILE 33 0.537 0.896 -5.410 286 H THR 34 H THR 34 5.045 2.401 -3.001 287 HA THR 34 HA THR 34 5.878 -0.085 -1.680 288 HB THR 34 HB THR 34 6.082 2.793 -0.784 289 HG1 THR 34 HG1 THR 34 7.648 1.203 -2.301 290 HG21 THR 34 HG21 THR 34 7.085 0.284 0.573 291 HG22 THR 34 HG22 THR 34 5.743 1.289 1.127 292 HG23 THR 34 HG23 THR 34 7.386 1.936 1.101 293 H ILE 35 H ILE 35 4.531 -1.113 -0.355 294 HA ILE 35 HA ILE 35 2.061 0.250 0.473 295 HB ILE 35 HB ILE 35 2.702 -2.707 0.307 296 HG12 ILE 35 HG12 ILE 35 0.644 -2.640 -1.224 297 HG13 ILE 35 HG13 ILE 35 0.851 -0.894 -1.243 298 HG21 ILE 35 HG21 ILE 35 0.418 -3.125 1.069 299 HG22 ILE 35 HG22 ILE 35 0.182 -1.393 1.315 300 HG23 ILE 35 HG23 ILE 35 1.360 -2.271 2.292 301 HD11 ILE 35 HD11 ILE 35 2.835 -2.942 -2.202 302 HD12 ILE 35 HD12 ILE 35 3.099 -1.198 -2.179 303 HD13 ILE 35 HD13 ILE 35 1.838 -1.886 -3.204 304 H LEU 36 H LEU 36 1.825 0.799 2.554 305 HA LEU 36 HA LEU 36 3.742 -0.308 4.497 306 HB2 LEU 36 HB2 LEU 36 2.119 2.236 4.623 307 HB3 LEU 36 HB3 LEU 36 3.244 1.687 5.850 308 HG LEU 36 HG LEU 36 3.987 2.459 3.026 309 HD11 LEU 36 HD11 LEU 36 3.304 4.384 4.344 310 HD12 LEU 36 HD12 LEU 36 5.048 4.398 4.078 311 HD13 LEU 36 HD13 LEU 36 4.399 3.902 5.641 312 HD21 LEU 36 HD21 LEU 36 6.287 2.277 3.801 313 HD22 LEU 36 HD22 LEU 36 5.449 0.734 3.975 314 HD23 LEU 36 HD23 LEU 36 5.726 1.753 5.388 315 H GLY 37 H GLY 37 2.971 -1.662 6.009 316 HA2 GLY 37 HA2 GLY 37 0.107 -1.489 6.666 317 HA3 GLY 37 HA3 GLY 37 0.795 -3.024 6.167 318 H ARG 38 H ARG 38 -0.341 -1.599 8.722 319 HA ARG 38 HA ARG 38 0.563 -3.570 10.461 320 HB2 ARG 38 HB2 ARG 38 2.673 -2.291 10.594 321 HB3 ARG 38 HB3 ARG 38 1.775 -0.855 11.074 322 HG2 ARG 38 HG2 ARG 38 0.982 -2.091 13.081 323 HG3 ARG 38 HG3 ARG 38 2.035 -3.427 12.620 324 HD2 ARG 38 HD2 ARG 38 3.008 -0.623 13.124 325 HD3 ARG 38 HD3 ARG 38 2.964 -1.880 14.359 326 HE ARG 38 HE ARG 38 4.596 -2.009 11.904 327 HH11 ARG 38 HH11 ARG 38 4.074 -2.740 15.294 328 HH12 ARG 38 HH12 ARG 38 5.607 -3.539 15.483 329 HH21 ARG 38 HH21 ARG 38 6.599 -3.068 12.164 330 HH22 ARG 38 HH22 ARG 38 7.033 -3.720 13.718 331 H LEU 39 H LEU 39 -1.823 -3.410 10.276 332 HA LEU 39 HA LEU 39 -2.825 -1.750 12.465 333 HB2 LEU 39 HB2 LEU 39 -4.138 -1.979 9.756 334 HB3 LEU 39 HB3 LEU 39 -4.921 -1.315 11.172 335 HG LEU 39 HG LEU 39 -2.809 0.300 11.123 336 HD11 LEU 39 HD11 LEU 39 -1.723 -0.739 9.227 337 HD12 LEU 39 HD12 LEU 39 -2.243 0.894 8.807 338 HD13 LEU 39 HD13 LEU 39 -3.164 -0.500 8.239 339 HD21 LEU 39 HD21 LEU 39 -5.117 1.022 11.082 340 HD22 LEU 39 HD22 LEU 39 -5.249 0.584 9.380 341 HD23 LEU 39 HD23 LEU 39 -4.186 1.901 9.871 342 H ASN 40 H ASN 40 -4.847 -2.554 13.362 343 HA ASN 40 HA ASN 40 -5.895 -5.066 12.482 344 HB2 ASN 40 HB2 ASN 40 -5.371 -6.410 14.387 345 HB3 ASN 40 HB3 ASN 40 -3.851 -5.732 13.820 346 HD21 ASN 40 HD21 ASN 40 -2.803 -4.185 15.070 347 HD22 ASN 40 HD22 ASN 40 -3.221 -3.894 16.722 348 H SER 41 H SER 41 -7.700 -5.771 13.925 349 HA SER 41 HA SER 41 -9.647 -5.389 15.024 350 HB2 SER 41 HB2 SER 41 -8.223 -3.042 16.303 351 HB3 SER 41 HB3 SER 41 -9.692 -3.823 16.886 352 HG SER 41 HG SER 41 -7.050 -4.844 16.817 353 H LEU 42 H LEU 42 -8.781 -3.836 12.509 354 HA LEU 42 HA LEU 42 -10.450 -1.459 12.688 355 HB2 LEU 42 HB2 LEU 42 -8.127 -1.875 11.406 356 HB3 LEU 42 HB3 LEU 42 -9.228 -2.304 10.112 357 HG LEU 42 HG LEU 42 -8.531 0.018 9.917 358 HD11 LEU 42 HD11 LEU 42 -10.736 1.105 9.864 359 HD12 LEU 42 HD12 LEU 42 -11.411 -0.262 10.750 360 HD13 LEU 42 HD13 LEU 42 -10.752 -0.499 9.130 361 HD21 LEU 42 HD21 LEU 42 -8.057 0.445 12.275 362 HD22 LEU 42 HD22 LEU 42 -9.784 0.406 12.631 363 HD23 LEU 42 HD23 LEU 42 -9.126 1.675 11.599 364 H GLY 43 H GLY 43 -10.177 -4.069 10.249 365 HA2 GLY 43 HA2 GLY 43 -11.908 -5.501 9.567 366 HA3 GLY 43 HA3 GLY 43 -13.057 -4.490 10.424 367 H HIS 44 H HIS 44 -11.490 -2.205 8.884 368 HA HIS 44 HA HIS 44 -12.954 -2.548 6.358 369 HB2 HIS 44 HB2 HIS 44 -12.912 -0.113 8.143 370 HB3 HIS 44 HB3 HIS 44 -13.391 -0.041 6.452 371 HD1 HIS 44 HD1 HIS 44 -14.763 -0.513 9.753 372 HD2 HIS 44 HD2 HIS 44 -15.692 -1.839 5.919 373 HE1 HIS 44 HE1 HIS 44 -17.165 -1.253 9.853 374 HE2 HIS 44 HE2 HIS 44 -17.659 -2.191 7.569 375 HA PRO 45 HA PRO 45 -8.748 -1.389 5.085 376 HB2 PRO 45 HB2 PRO 45 -9.274 -2.926 2.697 377 HB3 PRO 45 HB3 PRO 45 -8.125 -3.270 3.992 378 HG2 PRO 45 HG2 PRO 45 -10.363 -4.773 3.490 379 HG3 PRO 45 HG3 PRO 45 -9.577 -4.666 5.075 380 HD2 PRO 45 HD2 PRO 45 -12.015 -3.252 4.065 381 HD3 PRO 45 HD3 PRO 45 -11.699 -3.950 5.668 382 H ARG 46 H ARG 46 -8.268 0.355 3.883 383 HA ARG 46 HA ARG 46 -10.095 1.080 1.681 384 HB2 ARG 46 HB2 ARG 46 -8.404 2.884 3.427 385 HB3 ARG 46 HB3 ARG 46 -9.343 3.421 2.042 386 HG2 ARG 46 HG2 ARG 46 -10.403 2.241 4.597 387 HG3 ARG 46 HG3 ARG 46 -10.551 3.914 4.049 388 HD2 ARG 46 HD2 ARG 46 -11.836 3.115 2.092 389 HD3 ARG 46 HD3 ARG 46 -11.753 1.478 2.740 390 HE ARG 46 HE ARG 46 -13.037 3.664 4.249 391 HH11 ARG 46 HH11 ARG 46 -13.072 0.432 2.894 392 HH12 ARG 46 HH12 ARG 46 -14.674 0.064 3.471 393 HH21 ARG 46 HH21 ARG 46 -15.138 3.189 5.018 394 HH22 ARG 46 HH22 ARG 46 -15.844 1.639 4.686 395 H ILE 47 H ILE 47 -8.614 2.864 0.316 396 HA ILE 47 HA ILE 47 -6.062 1.511 -0.189 397 HB ILE 47 HB ILE 47 -7.587 0.925 -1.985 398 HG12 ILE 47 HG12 ILE 47 -5.384 2.842 -2.754 399 HG13 ILE 47 HG13 ILE 47 -5.284 1.089 -2.584 400 HG21 ILE 47 HG21 ILE 47 -8.536 2.548 -3.514 401 HG22 ILE 47 HG22 ILE 47 -7.845 3.870 -2.576 402 HG23 ILE 47 HG23 ILE 47 -9.100 2.850 -1.870 403 HD11 ILE 47 HD11 ILE 47 -6.802 2.592 -4.695 404 HD12 ILE 47 HD12 ILE 47 -6.785 0.839 -4.501 405 HD13 ILE 47 HD13 ILE 47 -5.297 1.697 -4.905 406 H GLY 48 H GLY 48 -4.973 2.977 1.102 407 HA2 GLY 48 HA2 GLY 48 -5.277 5.816 0.681 408 HA3 GLY 48 HA3 GLY 48 -4.155 5.036 1.786 409 H LEU 49 H LEU 49 -4.680 5.281 -1.736 410 HA LEU 49 HA LEU 49 -1.906 4.948 -2.315 411 HB2 LEU 49 HB2 LEU 49 -3.697 4.325 -3.901 412 HB3 LEU 49 HB3 LEU 49 -4.103 6.021 -4.087 413 HG LEU 49 HG LEU 49 -1.853 6.445 -5.020 414 HD11 LEU 49 HD11 LEU 49 -0.457 4.545 -5.687 415 HD12 LEU 49 HD12 LEU 49 -1.553 3.450 -4.841 416 HD13 LEU 49 HD13 LEU 49 -0.633 4.653 -3.935 417 HD21 LEU 49 HD21 LEU 49 -3.748 5.989 -6.500 418 HD22 LEU 49 HD22 LEU 49 -3.377 4.265 -6.439 419 HD23 LEU 49 HD23 LEU 49 -2.233 5.387 -7.174 420 H THR 50 H THR 50 -0.466 6.388 -1.779 421 HA THR 50 HA THR 50 -1.154 9.235 -1.801 422 HB THR 50 HB THR 50 1.308 7.922 -0.635 423 HG1 THR 50 HG1 THR 50 -0.826 7.289 0.294 424 HG21 THR 50 HG21 THR 50 0.052 10.631 -0.159 425 HG22 THR 50 HG22 THR 50 1.522 10.326 -1.083 426 HG23 THR 50 HG23 THR 50 1.488 10.001 0.649 427 H VAL 51 H VAL 51 -0.854 9.991 -3.811 428 HA VAL 51 HA VAL 51 1.862 9.874 -4.870 429 HB VAL 51 HB VAL 51 0.756 8.170 -6.152 430 HG11 VAL 51 HG11 VAL 51 -1.255 8.590 -7.485 431 HG12 VAL 51 HG12 VAL 51 -1.378 10.203 -6.782 432 HG13 VAL 51 HG13 VAL 51 -1.561 8.780 -5.759 433 HG21 VAL 51 HG21 VAL 51 0.942 9.077 -8.425 434 HG22 VAL 51 HG22 VAL 51 2.280 9.580 -7.394 435 HG23 VAL 51 HG23 VAL 51 0.977 10.709 -7.760 436 H ALA 52 H ALA 52 2.558 11.869 -5.053 437 HA ALA 52 HA ALA 52 0.597 14.031 -5.373 438 HB1 ALA 52 HB1 ALA 52 3.407 14.126 -4.281 439 HB2 ALA 52 HB2 ALA 52 1.926 14.096 -3.323 440 HB3 ALA 52 HB3 ALA 52 2.277 15.480 -4.360 441 H LYS 53 H LYS 53 1.806 16.072 -6.318 442 HA LYS 53 HA LYS 53 2.280 15.460 -9.064 443 HB2 LYS 53 HB2 LYS 53 2.572 18.057 -7.541 444 HB3 LYS 53 HB3 LYS 53 2.600 17.908 -9.291 445 HG2 LYS 53 HG2 LYS 53 0.322 17.249 -9.361 446 HG3 LYS 53 HG3 LYS 53 0.262 17.047 -7.608 447 HD2 LYS 53 HD2 LYS 53 0.780 19.679 -8.994 448 HD3 LYS 53 HD3 LYS 53 -0.809 19.145 -8.438 449 HE2 LYS 53 HE2 LYS 53 0.064 18.991 -6.144 450 HE3 LYS 53 HE3 LYS 53 1.632 19.562 -6.711 451 HZ1 LYS 53 HZ1 LYS 53 0.191 21.302 -5.698 452 HZ2 LYS 53 HZ2 LYS 53 -0.886 21.113 -6.988 453 HZ3 LYS 53 HZ3 LYS 53 0.696 21.662 -7.279 454 H LYS 54 H LYS 54 4.287 15.112 -6.537 455 HA LYS 54 HA LYS 54 6.683 15.775 -8.104 456 HB2 LYS 54 HB2 LYS 54 7.871 15.713 -5.891 457 HB3 LYS 54 HB3 LYS 54 6.688 17.003 -6.054 458 HG2 LYS 54 HG2 LYS 54 5.082 15.323 -4.889 459 HG3 LYS 54 HG3 LYS 54 6.580 14.542 -4.373 460 HD2 LYS 54 HD2 LYS 54 5.865 17.437 -3.915 461 HD3 LYS 54 HD3 LYS 54 5.754 16.155 -2.710 462 HE2 LYS 54 HE2 LYS 54 8.124 15.830 -2.739 463 HE3 LYS 54 HE3 LYS 54 8.308 16.917 -4.116 464 HZ1 LYS 54 HZ1 LYS 54 8.871 17.870 -1.878 465 HZ2 LYS 54 HZ2 LYS 54 7.215 17.808 -1.508 466 HZ3 LYS 54 HZ3 LYS 54 7.759 18.768 -2.792 467 H ASN 55 H ASN 55 4.711 13.293 -7.411 468 HA ASN 55 HA ASN 55 6.897 11.314 -7.461 469 HB2 ASN 55 HB2 ASN 55 3.970 10.841 -6.825 470 HB3 ASN 55 HB3 ASN 55 5.272 9.664 -6.698 471 HD21 ASN 55 HD21 ASN 55 6.709 9.801 -4.973 472 HD22 ASN 55 HD22 ASN 55 6.381 10.756 -3.574 473 H VAL 56 H VAL 56 4.165 12.652 -9.041 474 HA VAL 56 HA VAL 56 4.649 10.989 -11.421 475 HB VAL 56 HB VAL 56 2.520 10.385 -10.204 476 HG11 VAL 56 HG11 VAL 56 1.664 13.147 -11.043 477 HG12 VAL 56 HG12 VAL 56 1.908 12.584 -9.389 478 HG13 VAL 56 HG13 VAL 56 0.610 11.903 -10.372 479 HG21 VAL 56 HG21 VAL 56 2.341 11.458 -13.003 480 HG22 VAL 56 HG22 VAL 56 1.075 10.498 -12.240 481 HG23 VAL 56 HG23 VAL 56 2.676 9.803 -12.490 482 H ARG 57 H ARG 57 4.205 12.159 -13.459 483 HA ARG 57 HA ARG 57 4.722 15.016 -13.072 484 HB2 ARG 57 HB2 ARG 57 6.367 13.778 -14.407 485 HB3 ARG 57 HB3 ARG 57 5.106 13.312 -15.541 486 HG2 ARG 57 HG2 ARG 57 4.740 15.683 -16.079 487 HG3 ARG 57 HG3 ARG 57 6.052 16.114 -14.981 488 HD2 ARG 57 HD2 ARG 57 7.611 14.804 -16.343 489 HD3 ARG 57 HD3 ARG 57 6.297 14.392 -17.446 490 HE ARG 57 HE ARG 57 6.514 17.199 -17.164 491 HH11 ARG 57 HH11 ARG 57 8.071 14.469 -18.704 492 HH12 ARG 57 HH12 ARG 57 8.769 15.427 -19.976 493 HH21 ARG 57 HH21 ARG 57 7.401 18.454 -18.841 494 HH22 ARG 57 HH22 ARG 57 8.362 17.689 -20.072 495 H ARG 58 H ARG 58 2.730 12.852 -15.082 496 HA ARG 58 HA ARG 58 1.065 15.156 -15.825 497 HB2 ARG 58 HB2 ARG 58 1.083 12.323 -16.871 498 HB3 ARG 58 HB3 ARG 58 0.059 13.616 -17.473 499 HG2 ARG 58 HG2 ARG 58 1.942 14.806 -18.327 500 HG3 ARG 58 HG3 ARG 58 3.065 13.695 -17.533 501 HD2 ARG 58 HD2 ARG 58 2.256 11.864 -18.916 502 HD3 ARG 58 HD3 ARG 58 1.092 12.940 -19.685 503 HE ARG 58 HE ARG 58 3.243 14.217 -20.360 504 HH11 ARG 58 HH11 ARG 58 2.961 10.728 -20.080 505 HH12 ARG 58 HH12 ARG 58 4.099 10.415 -21.350 506 HH21 ARG 58 HH21 ARG 58 4.745 13.795 -22.008 507 HH22 ARG 58 HH22 ARG 58 5.102 12.152 -22.455 508 H ALA 59 H ALA 59 -1.152 15.207 -15.471 509 HA ALA 59 HA ALA 59 -2.168 13.942 -13.164 510 HB1 ALA 59 HB1 ALA 59 -4.284 14.925 -13.752 511 HB2 ALA 59 HB2 ALA 59 -3.753 15.169 -15.415 512 HB3 ALA 59 HB3 ALA 59 -3.002 16.084 -14.107 513 H HIS 60 H HIS 60 -2.391 13.198 -16.598 514 HA HIS 60 HA HIS 60 -4.250 11.105 -16.453 515 HB2 HIS 60 HB2 HIS 60 -2.235 12.018 -18.404 516 HB3 HIS 60 HB3 HIS 60 -2.674 10.317 -18.516 517 HD1 HIS 60 HD1 HIS 60 -3.827 13.678 -19.422 518 HD2 HIS 60 HD2 HIS 60 -5.505 9.894 -18.986 519 HE1 HIS 60 HE1 HIS 60 -6.041 13.776 -20.604 520 HE2 HIS 60 HE2 HIS 60 -6.960 11.433 -20.471 521 H GLU 61 H GLU 61 -0.730 11.098 -16.082 522 HA GLU 61 HA GLU 61 -0.427 8.294 -15.876 523 HB2 GLU 61 HB2 GLU 61 1.301 10.446 -14.638 524 HB3 GLU 61 HB3 GLU 61 1.765 8.776 -14.922 525 HG2 GLU 61 HG2 GLU 61 1.730 9.095 -17.289 526 HG3 GLU 61 HG3 GLU 61 1.036 10.707 -17.113 527 H ARG 62 H ARG 62 -1.094 10.833 -13.546 528 HA ARG 62 HA ARG 62 -0.809 9.311 -11.191 529 HB2 ARG 62 HB2 ARG 62 -0.928 11.796 -11.290 530 HB3 ARG 62 HB3 ARG 62 -2.636 11.671 -11.682 531 HG2 ARG 62 HG2 ARG 62 -3.017 10.553 -9.514 532 HG3 ARG 62 HG3 ARG 62 -1.313 10.798 -9.122 533 HD2 ARG 62 HD2 ARG 62 -1.634 13.228 -9.398 534 HD3 ARG 62 HD3 ARG 62 -3.347 12.947 -9.696 535 HE ARG 62 HE ARG 62 -2.011 12.304 -7.140 536 HH11 ARG 62 HH11 ARG 62 -4.785 13.412 -8.978 537 HH12 ARG 62 HH12 ARG 62 -5.696 13.879 -7.568 538 HH21 ARG 62 HH21 ARG 62 -3.218 12.907 -5.279 539 HH22 ARG 62 HH22 ARG 62 -4.803 13.596 -5.464 540 H ASN 63 H ASN 63 -3.691 10.135 -13.108 541 HA ASN 63 HA ASN 63 -5.510 8.601 -11.568 542 HB2 ASN 63 HB2 ASN 63 -5.687 9.594 -14.422 543 HB3 ASN 63 HB3 ASN 63 -7.024 8.857 -13.545 544 HD21 ASN 63 HD21 ASN 63 -6.668 11.570 -14.670 545 HD22 ASN 63 HD22 ASN 63 -6.951 12.647 -13.341 546 H ARG 64 H ARG 64 -3.389 7.862 -14.211 547 HA ARG 64 HA ARG 64 -4.359 5.381 -15.040 548 HB2 ARG 64 HB2 ARG 64 -2.559 6.615 -16.168 549 HB3 ARG 64 HB3 ARG 64 -1.500 6.352 -14.793 550 HG2 ARG 64 HG2 ARG 64 -0.835 4.823 -16.447 551 HG3 ARG 64 HG3 ARG 64 -1.721 3.884 -15.249 552 HD2 ARG 64 HD2 ARG 64 -3.640 3.759 -16.644 553 HD3 ARG 64 HD3 ARG 64 -2.987 4.964 -17.756 554 HE ARG 64 HE ARG 64 -1.151 2.923 -17.744 555 HH11 ARG 64 HH11 ARG 64 -4.551 3.235 -18.559 556 HH12 ARG 64 HH12 ARG 64 -4.512 1.930 -19.700 557 HH21 ARG 64 HH21 ARG 64 -1.105 1.243 -19.246 558 HH22 ARG 64 HH22 ARG 64 -2.553 0.782 -20.089 559 H ILE 65 H ILE 65 -2.096 6.199 -12.425 560 HA ILE 65 HA ILE 65 -1.769 3.494 -11.548 561 HB ILE 65 HB ILE 65 -1.189 6.050 -10.036 562 HG12 ILE 65 HG12 ILE 65 -0.010 6.006 -12.183 563 HG13 ILE 65 HG13 ILE 65 1.117 5.806 -10.848 564 HG21 ILE 65 HG21 ILE 65 -0.115 3.259 -9.649 565 HG22 ILE 65 HG22 ILE 65 -1.261 4.086 -8.596 566 HG23 ILE 65 HG23 ILE 65 0.387 4.692 -8.751 567 HD11 ILE 65 HD11 ILE 65 1.158 3.385 -11.281 568 HD12 ILE 65 HD12 ILE 65 1.699 4.336 -12.664 569 HD13 ILE 65 HD13 ILE 65 0.082 3.635 -12.656 570 H LYS 66 H LYS 66 -3.867 6.160 -10.711 571 HA LYS 66 HA LYS 66 -4.872 5.321 -8.265 572 HB2 LYS 66 HB2 LYS 66 -6.020 6.979 -10.485 573 HB3 LYS 66 HB3 LYS 66 -6.988 6.598 -9.069 574 HG2 LYS 66 HG2 LYS 66 -4.296 7.931 -8.940 575 HG3 LYS 66 HG3 LYS 66 -5.832 8.803 -8.980 576 HD2 LYS 66 HD2 LYS 66 -5.023 6.770 -6.901 577 HD3 LYS 66 HD3 LYS 66 -4.968 8.523 -6.694 578 HE2 LYS 66 HE2 LYS 66 -7.321 8.711 -6.821 579 HE3 LYS 66 HE3 LYS 66 -7.495 7.064 -7.425 580 HZ1 LYS 66 HZ1 LYS 66 -8.110 7.235 -5.095 581 HZ2 LYS 66 HZ2 LYS 66 -6.560 7.804 -4.705 582 HZ3 LYS 66 HZ3 LYS 66 -6.761 6.229 -5.293 583 H ARG 67 H ARG 67 -6.173 4.629 -11.511 584 HA ARG 67 HA ARG 67 -8.268 3.008 -10.372 585 HB2 ARG 67 HB2 ARG 67 -7.494 3.424 -13.261 586 HB3 ARG 67 HB3 ARG 67 -8.951 2.614 -12.700 587 HG2 ARG 67 HG2 ARG 67 -9.632 4.711 -11.578 588 HG3 ARG 67 HG3 ARG 67 -8.224 5.504 -12.282 589 HD2 ARG 67 HD2 ARG 67 -10.051 6.029 -13.682 590 HD3 ARG 67 HD3 ARG 67 -9.108 4.807 -14.536 591 HE ARG 67 HE ARG 67 -10.850 3.200 -13.519 592 HH11 ARG 67 HH11 ARG 67 -11.496 6.501 -14.505 593 HH12 ARG 67 HH12 ARG 67 -13.156 6.184 -14.920 594 HH21 ARG 67 HH21 ARG 67 -13.039 2.788 -14.059 595 HH22 ARG 67 HH22 ARG 67 -14.032 4.077 -14.671 596 H LEU 68 H LEU 68 -5.139 2.480 -11.759 597 HA LEU 68 HA LEU 68 -5.321 -0.263 -12.346 598 HB2 LEU 68 HB2 LEU 68 -3.477 1.332 -12.998 599 HB3 LEU 68 HB3 LEU 68 -2.886 1.234 -11.355 600 HG LEU 68 HG LEU 68 -1.681 -0.169 -13.097 601 HD11 LEU 68 HD11 LEU 68 -1.379 -2.075 -11.598 602 HD12 LEU 68 HD12 LEU 68 -2.808 -1.583 -10.684 603 HD13 LEU 68 HD13 LEU 68 -1.379 -0.546 -10.716 604 HD21 LEU 68 HD21 LEU 68 -2.676 -2.323 -13.668 605 HD22 LEU 68 HD22 LEU 68 -3.643 -0.986 -14.289 606 HD23 LEU 68 HD23 LEU 68 -4.168 -1.859 -12.849 607 H THR 69 H THR 69 -4.173 1.398 -9.415 608 HA THR 69 HA THR 69 -3.726 -0.976 -7.940 609 HB THR 69 HB THR 69 -3.780 0.618 -5.943 610 HG1 THR 69 HG1 THR 69 -3.696 2.675 -7.888 611 HG21 THR 69 HG21 THR 69 -1.921 1.310 -8.223 612 HG22 THR 69 HG22 THR 69 -1.714 -0.052 -7.124 613 HG23 THR 69 HG23 THR 69 -1.630 1.596 -6.506 614 H ARG 70 H ARG 70 -6.439 1.284 -8.083 615 HA ARG 70 HA ARG 70 -7.893 0.275 -5.916 616 HB2 ARG 70 HB2 ARG 70 -8.295 2.465 -6.933 617 HB3 ARG 70 HB3 ARG 70 -8.879 1.688 -8.396 618 HG2 ARG 70 HG2 ARG 70 -10.804 0.852 -7.273 619 HG3 ARG 70 HG3 ARG 70 -10.173 1.352 -5.702 620 HD2 ARG 70 HD2 ARG 70 -10.375 3.667 -6.288 621 HD3 ARG 70 HD3 ARG 70 -10.784 3.260 -7.954 622 HE ARG 70 HE ARG 70 -12.838 2.183 -6.936 623 HH11 ARG 70 HH11 ARG 70 -11.216 4.899 -5.427 624 HH12 ARG 70 HH12 ARG 70 -12.664 5.537 -4.712 625 HH21 ARG 70 HH21 ARG 70 -14.745 3.027 -6.020 626 HH22 ARG 70 HH22 ARG 70 -14.684 4.474 -5.061 627 H GLU 71 H GLU 71 -7.640 -0.818 -9.203 628 HA GLU 71 HA GLU 71 -9.948 -2.442 -9.292 629 HB2 GLU 71 HB2 GLU 71 -8.761 -1.786 -11.308 630 HB3 GLU 71 HB3 GLU 71 -7.325 -2.650 -10.778 631 HG2 GLU 71 HG2 GLU 71 -8.599 -4.761 -10.891 632 HG3 GLU 71 HG3 GLU 71 -9.974 -3.860 -11.528 633 H SER 72 H SER 72 -6.598 -3.100 -8.343 634 HA SER 72 HA SER 72 -6.861 -5.895 -8.213 635 HB2 SER 72 HB2 SER 72 -4.728 -5.865 -7.010 636 HB3 SER 72 HB3 SER 72 -4.685 -4.775 -8.393 637 HG SER 72 HG SER 72 -5.205 -3.069 -6.835 638 H PHE 73 H PHE 73 -7.504 -3.390 -5.849 639 HA PHE 73 HA PHE 73 -7.561 -5.020 -3.552 640 HB2 PHE 73 HB2 PHE 73 -8.705 -2.330 -4.213 641 HB3 PHE 73 HB3 PHE 73 -9.092 -3.109 -2.683 642 HD1 PHE 73 HD2 PHE 73 -6.247 -1.960 -4.775 643 HD2 PHE 73 HD1 PHE 73 -7.626 -2.989 -0.884 644 HE1 PHE 73 HE2 PHE 73 -4.145 -1.125 -3.813 645 HE2 PHE 73 HE1 PHE 73 -5.526 -2.155 0.087 646 HZ PHE 73 HZ PHE 73 -3.780 -1.223 -1.376 647 H ARG 74 H ARG 74 -9.873 -4.506 -6.085 648 HA ARG 74 HA ARG 74 -12.088 -5.564 -4.526 649 HB2 ARG 74 HB2 ARG 74 -12.403 -3.718 -6.160 650 HB3 ARG 74 HB3 ARG 74 -11.976 -4.827 -7.456 651 HG2 ARG 74 HG2 ARG 74 -13.919 -6.217 -6.881 652 HG3 ARG 74 HG3 ARG 74 -14.351 -5.058 -5.620 653 HD2 ARG 74 HD2 ARG 74 -14.639 -3.317 -7.274 654 HD3 ARG 74 HD3 ARG 74 -14.112 -4.410 -8.554 655 HE ARG 74 HE ARG 74 -16.425 -5.261 -7.025 656 HH11 ARG 74 HH11 ARG 74 -15.209 -3.701 -9.918 657 HH12 ARG 74 HH12 ARG 74 -16.695 -3.909 -10.799 658 HH21 ARG 74 HH21 ARG 74 -18.367 -5.531 -8.180 659 HH22 ARG 74 HH22 ARG 74 -18.480 -4.943 -9.819 660 H LEU 75 H LEU 75 -9.546 -6.853 -6.255 661 HA LEU 75 HA LEU 75 -11.093 -9.228 -7.051 662 HB2 LEU 75 HB2 LEU 75 -9.925 -8.194 -8.895 663 HB3 LEU 75 HB3 LEU 75 -8.420 -8.202 -7.998 664 HG LEU 75 HG LEU 75 -8.388 -10.662 -8.075 665 HD11 LEU 75 HD11 LEU 75 -10.777 -11.073 -8.186 666 HD12 LEU 75 HD12 LEU 75 -9.941 -11.857 -9.526 667 HD13 LEU 75 HD13 LEU 75 -10.839 -10.363 -9.799 668 HD21 LEU 75 HD21 LEU 75 -8.679 -9.313 -10.755 669 HD22 LEU 75 HD22 LEU 75 -7.912 -10.878 -10.475 670 HD23 LEU 75 HD23 LEU 75 -7.210 -9.414 -9.783 671 H ARG 76 H ARG 76 -8.088 -8.225 -5.463 672 HA ARG 76 HA ARG 76 -7.676 -11.009 -4.598 673 HB2 ARG 76 HB2 ARG 76 -5.705 -8.719 -4.814 674 HB3 ARG 76 HB3 ARG 76 -5.310 -10.368 -4.336 675 HG2 ARG 76 HG2 ARG 76 -5.776 -11.215 -6.483 676 HG3 ARG 76 HG3 ARG 76 -6.586 -9.729 -6.977 677 HD2 ARG 76 HD2 ARG 76 -4.430 -8.540 -6.837 678 HD3 ARG 76 HD3 ARG 76 -3.641 -10.061 -6.414 679 HE ARG 76 HE ARG 76 -4.173 -10.891 -8.615 680 HH11 ARG 76 HH11 ARG 76 -4.682 -7.447 -8.150 681 HH12 ARG 76 HH12 ARG 76 -4.654 -7.081 -9.849 682 HH21 ARG 76 HH21 ARG 76 -4.117 -10.395 -10.849 683 HH22 ARG 76 HH22 ARG 76 -4.319 -8.753 -11.372 684 H GLN 77 H GLN 77 -9.550 -9.878 -3.152 685 HA GLN 77 HA GLN 77 -8.424 -8.417 -0.908 686 HB2 GLN 77 HB2 GLN 77 -10.651 -7.935 -0.246 687 HB3 GLN 77 HB3 GLN 77 -10.594 -7.758 -1.991 688 HG2 GLN 77 HG2 GLN 77 -11.665 -10.165 -0.535 689 HG3 GLN 77 HG3 GLN 77 -12.644 -8.854 -1.186 690 HE21 GLN 77 HE21 GLN 77 -12.882 -8.665 -3.424 691 HE22 GLN 77 HE22 GLN 77 -12.513 -9.974 -4.492 692 H HIS 78 H HIS 78 -9.103 -11.660 -1.672 693 HA HIS 78 HA HIS 78 -9.760 -12.488 1.010 694 HB2 HIS 78 HB2 HIS 78 -9.310 -13.886 -1.583 695 HB3 HIS 78 HB3 HIS 78 -9.147 -14.818 -0.099 696 HD1 HIS 78 HD1 HIS 78 -11.682 -13.209 -2.301 697 HD2 HIS 78 HD2 HIS 78 -11.540 -15.139 1.378 698 HE1 HIS 78 HE1 HIS 78 -14.068 -13.748 -1.725 699 HE2 HIS 78 HE2 HIS 78 -13.938 -15.072 0.419 700 H GLU 79 H GLU 79 -6.892 -11.801 -0.667 701 HA GLU 79 HA GLU 79 -5.273 -13.543 1.035 702 HB2 GLU 79 HB2 GLU 79 -4.602 -11.898 -1.405 703 HB3 GLU 79 HB3 GLU 79 -3.397 -12.769 -0.464 704 HG2 GLU 79 HG2 GLU 79 -5.768 -14.032 -1.821 705 HG3 GLU 79 HG3 GLU 79 -4.133 -13.983 -2.479 706 H LEU 80 H LEU 80 -6.647 -11.031 1.942 707 HA LEU 80 HA LEU 80 -4.282 -9.889 3.217 708 HB2 LEU 80 HB2 LEU 80 -5.255 -7.603 3.022 709 HB3 LEU 80 HB3 LEU 80 -4.703 -8.290 1.511 710 HG LEU 80 HG LEU 80 -7.215 -8.940 1.191 711 HD11 LEU 80 HD11 LEU 80 -7.436 -6.677 3.170 712 HD12 LEU 80 HD12 LEU 80 -7.991 -8.335 3.406 713 HD13 LEU 80 HD13 LEU 80 -8.755 -7.313 2.189 714 HD21 LEU 80 HD21 LEU 80 -6.229 -6.102 0.954 715 HD22 LEU 80 HD22 LEU 80 -7.617 -6.781 0.105 716 HD23 LEU 80 HD23 LEU 80 -5.996 -7.393 -0.225 717 HA PRO 81 HA PRO 81 -6.821 -10.183 6.843 718 HB2 PRO 81 HB2 PRO 81 -5.479 -8.525 8.490 719 HB3 PRO 81 HB3 PRO 81 -4.824 -10.095 8.010 720 HG2 PRO 81 HG2 PRO 81 -4.178 -7.369 6.966 721 HG3 PRO 81 HG3 PRO 81 -3.087 -8.722 7.318 722 HD2 PRO 81 HD2 PRO 81 -3.967 -8.086 4.801 723 HD3 PRO 81 HD3 PRO 81 -3.475 -9.718 5.290 724 H ALA 82 H ALA 82 -8.127 -8.832 8.295 725 HA ALA 82 HA ALA 82 -9.436 -6.751 6.806 726 HB1 ALA 82 HB1 ALA 82 -10.647 -8.414 8.191 727 HB2 ALA 82 HB2 ALA 82 -11.067 -6.744 8.560 728 HB3 ALA 82 HB3 ALA 82 -9.988 -7.639 9.633 729 H MET 83 H MET 83 -7.197 -5.612 6.896 730 HA MET 83 HA MET 83 -7.438 -3.549 8.969 731 HB2 MET 83 HB2 MET 83 -5.056 -3.398 9.242 732 HB3 MET 83 HB3 MET 83 -5.525 -5.064 9.517 733 HG2 MET 83 HG2 MET 83 -4.708 -5.718 7.369 734 HG3 MET 83 HG3 MET 83 -4.407 -4.039 6.920 735 HE1 MET 83 HE1 MET 83 -0.787 -5.528 7.245 736 HE2 MET 83 HE2 MET 83 -1.858 -4.557 6.234 737 HE3 MET 83 HE3 MET 83 -2.239 -6.249 6.552 738 H ASP 84 H ASP 84 -6.153 -1.546 8.260 739 HA ASP 84 HA ASP 84 -7.073 -0.945 5.582 740 HB2 ASP 84 HB2 ASP 84 -7.509 0.561 7.542 741 HB3 ASP 84 HB3 ASP 84 -5.782 0.903 7.598 742 H PHE 85 H PHE 85 -5.677 0.274 4.070 743 HA PHE 85 HA PHE 85 -2.855 -0.523 4.281 744 HB2 PHE 85 HB2 PHE 85 -4.693 -1.043 1.939 745 HB3 PHE 85 HB3 PHE 85 -2.942 -1.140 1.835 746 HD1 PHE 85 HD1 PHE 85 -1.735 -2.857 3.181 747 HD2 PHE 85 HD2 PHE 85 -5.973 -2.809 2.810 748 HE1 PHE 85 HE1 PHE 85 -1.823 -5.206 3.909 749 HE2 PHE 85 HE2 PHE 85 -6.070 -5.153 3.541 750 HZ PHE 85 HZ PHE 85 -3.992 -6.356 4.094 751 H VAL 86 H VAL 86 -1.646 1.228 4.100 752 HA VAL 86 HA VAL 86 -2.521 3.373 2.294 753 HB VAL 86 HB VAL 86 -2.032 4.175 4.527 754 HG11 VAL 86 HG11 VAL 86 0.719 3.005 4.179 755 HG12 VAL 86 HG12 VAL 86 -0.532 2.426 5.279 756 HG13 VAL 86 HG13 VAL 86 0.188 4.017 5.524 757 HG21 VAL 86 HG21 VAL 86 -1.488 5.672 2.712 758 HG22 VAL 86 HG22 VAL 86 0.119 4.961 2.568 759 HG23 VAL 86 HG23 VAL 86 -0.318 5.866 4.017 760 H VAL 87 H VAL 87 -1.536 3.648 0.408 761 HA VAL 87 HA VAL 87 0.901 2.069 -0.109 762 HB VAL 87 HB VAL 87 -1.278 2.719 -2.103 763 HG11 VAL 87 HG11 VAL 87 -0.161 1.094 -3.529 764 HG12 VAL 87 HG12 VAL 87 1.069 0.836 -2.290 765 HG13 VAL 87 HG13 VAL 87 0.936 2.403 -3.086 766 HG21 VAL 87 HG21 VAL 87 -2.153 1.200 -0.426 767 HG22 VAL 87 HG22 VAL 87 -0.757 0.141 -0.622 768 HG23 VAL 87 HG23 VAL 87 -1.903 0.344 -1.947 769 H VAL 88 H VAL 88 2.593 3.371 -0.419 770 HA VAL 88 HA VAL 88 2.086 6.089 -1.422 771 HB VAL 88 HB VAL 88 4.542 5.064 0.018 772 HG11 VAL 88 HG11 VAL 88 3.678 7.881 -0.642 773 HG12 VAL 88 HG12 VAL 88 4.958 6.982 -1.457 774 HG13 VAL 88 HG13 VAL 88 5.130 7.418 0.244 775 HG21 VAL 88 HG21 VAL 88 3.700 6.312 1.959 776 HG22 VAL 88 HG22 VAL 88 2.600 5.015 1.488 777 HG23 VAL 88 HG23 VAL 88 2.224 6.686 1.070 778 H ALA 89 H ALA 89 2.674 6.573 -3.425 779 HA ALA 89 HA ALA 89 4.351 4.713 -4.918 780 HB1 ALA 89 HB1 ALA 89 2.274 5.486 -5.953 781 HB2 ALA 89 HB2 ALA 89 3.676 6.015 -6.882 782 HB3 ALA 89 HB3 ALA 89 2.831 7.154 -5.836 783 H LYS 90 H LYS 90 6.380 5.182 -5.660 784 HA LYS 90 HA LYS 90 7.639 7.549 -4.512 785 HB2 LYS 90 HB2 LYS 90 8.816 5.145 -5.910 786 HB3 LYS 90 HB3 LYS 90 9.758 6.465 -5.237 787 HG2 LYS 90 HG2 LYS 90 7.920 4.718 -3.613 788 HG3 LYS 90 HG3 LYS 90 9.645 4.417 -3.818 789 HD2 LYS 90 HD2 LYS 90 9.693 5.582 -1.853 790 HD3 LYS 90 HD3 LYS 90 9.824 6.923 -2.991 791 HE2 LYS 90 HE2 LYS 90 7.379 7.255 -2.822 792 HE3 LYS 90 HE3 LYS 90 7.307 5.958 -1.633 793 HZ1 LYS 90 HZ1 LYS 90 7.361 8.132 -0.583 794 HZ2 LYS 90 HZ2 LYS 90 8.832 8.489 -1.338 795 HZ3 LYS 90 HZ3 LYS 90 8.749 7.243 -0.186 796 H LYS 91 H LYS 91 9.417 8.544 -5.934 797 HA LYS 91 HA LYS 91 8.136 9.769 -8.150 798 HB2 LYS 91 HB2 LYS 91 9.902 10.821 -6.694 799 HB3 LYS 91 HB3 LYS 91 11.086 9.793 -7.485 800 HG2 LYS 91 HG2 LYS 91 10.398 10.830 -9.659 801 HG3 LYS 91 HG3 LYS 91 9.434 11.976 -8.726 802 HD2 LYS 91 HD2 LYS 91 12.419 11.572 -8.561 803 HD3 LYS 91 HD3 LYS 91 11.581 12.959 -9.259 804 HE2 LYS 91 HE2 LYS 91 11.435 12.114 -6.365 805 HE3 LYS 91 HE3 LYS 91 12.467 13.398 -6.993 806 HZ1 LYS 91 HZ1 LYS 91 10.436 14.282 -6.039 807 HZ2 LYS 91 HZ2 LYS 91 9.497 13.357 -7.101 808 HZ3 LYS 91 HZ3 LYS 91 10.488 14.591 -7.706 809 H GLY 92 H GLY 92 7.887 8.937 -10.117 810 HA2 GLY 92 HA2 GLY 92 9.077 8.201 -12.139 811 HA3 GLY 92 HA3 GLY 92 9.976 7.092 -11.114 812 H VAL 93 H VAL 93 6.935 7.059 -9.926 813 HA VAL 93 HA VAL 93 6.326 4.471 -10.852 814 HB VAL 93 HB VAL 93 5.507 5.460 -8.715 815 HG11 VAL 93 HG11 VAL 93 4.852 7.660 -9.547 816 HG12 VAL 93 HG12 VAL 93 3.512 6.867 -8.716 817 HG13 VAL 93 HG13 VAL 93 3.546 6.926 -10.480 818 HG21 VAL 93 HG21 VAL 93 3.293 4.399 -8.772 819 HG22 VAL 93 HG22 VAL 93 4.515 3.412 -9.571 820 HG23 VAL 93 HG23 VAL 93 3.372 4.348 -10.533 821 H ALA 94 H ALA 94 5.818 7.538 -12.234 822 HA ALA 94 HA ALA 94 3.526 6.966 -13.818 823 HB1 ALA 94 HB1 ALA 94 3.996 9.051 -14.916 824 HB2 ALA 94 HB2 ALA 94 5.639 9.062 -14.281 825 HB3 ALA 94 HB3 ALA 94 4.273 9.248 -13.187 826 H ASP 95 H ASP 95 6.866 6.220 -14.108 827 HA ASP 95 HA ASP 95 6.749 5.975 -17.006 828 HB2 ASP 95 HB2 ASP 95 8.732 6.997 -15.896 829 HB3 ASP 95 HB3 ASP 95 9.067 5.446 -15.135 830 H LEU 96 H LEU 96 5.084 4.287 -16.736 831 HA LEU 96 HA LEU 96 6.366 1.656 -16.698 832 HB2 LEU 96 HB2 LEU 96 3.844 2.392 -15.215 833 HB3 LEU 96 HB3 LEU 96 4.307 0.739 -15.566 834 HG LEU 96 HG LEU 96 5.940 2.655 -13.897 835 HD11 LEU 96 HD11 LEU 96 5.193 1.317 -11.993 836 HD12 LEU 96 HD12 LEU 96 4.142 0.382 -13.058 837 HD13 LEU 96 HD13 LEU 96 3.840 2.101 -12.804 838 HD21 LEU 96 HD21 LEU 96 7.203 0.649 -13.282 839 HD22 LEU 96 HD22 LEU 96 7.282 0.951 -15.017 840 HD23 LEU 96 HD23 LEU 96 6.223 -0.311 -14.390 841 H ASP 97 H ASP 97 5.959 0.629 -18.522 842 HA ASP 97 HA ASP 97 4.052 1.645 -20.406 843 HB2 ASP 97 HB2 ASP 97 6.197 0.691 -21.131 844 HB3 ASP 97 HB3 ASP 97 5.723 -0.880 -20.491 845 H ASN 98 H ASN 98 2.278 0.517 -21.323 846 HA ASN 98 HA ASN 98 0.448 -0.516 -19.520 847 HB2 ASN 98 HB2 ASN 98 -0.170 0.454 -21.685 848 HB3 ASN 98 HB3 ASN 98 0.553 -0.916 -22.519 849 HD21 ASN 98 HD21 ASN 98 -0.543 -2.837 -22.635 850 HD22 ASN 98 HD22 ASN 98 -2.186 -3.016 -22.119 851 H ARG 99 H ARG 99 2.757 -2.239 -21.553 852 HA ARG 99 HA ARG 99 1.674 -4.835 -20.993 853 HB2 ARG 99 HB2 ARG 99 3.023 -4.314 -23.016 854 HB3 ARG 99 HB3 ARG 99 4.432 -4.092 -21.988 855 HG2 ARG 99 HG2 ARG 99 3.615 -6.574 -21.241 856 HG3 ARG 99 HG3 ARG 99 3.159 -6.549 -22.945 857 HD2 ARG 99 HD2 ARG 99 5.888 -6.055 -21.772 858 HD3 ARG 99 HD3 ARG 99 5.383 -7.419 -22.764 859 HE ARG 99 HE ARG 99 5.173 -4.787 -23.984 860 HH11 ARG 99 HH11 ARG 99 7.008 -7.747 -23.601 861 HH12 ARG 99 HH12 ARG 99 7.980 -7.473 -25.021 862 HH21 ARG 99 HH21 ARG 99 6.451 -4.419 -25.842 863 HH22 ARG 99 HH22 ARG 99 7.682 -5.567 -26.275 864 H ALA 100 H ALA 100 4.369 -2.912 -19.767 865 HA ALA 100 HA ALA 100 5.428 -4.910 -18.064 866 HB1 ALA 100 HB1 ALA 100 6.748 -3.021 -18.905 867 HB2 ALA 100 HB2 ALA 100 6.809 -3.140 -17.147 868 HB3 ALA 100 HB3 ALA 100 5.789 -1.922 -17.914 869 H LEU 101 H LEU 101 2.723 -2.847 -17.755 870 HA LEU 101 HA LEU 101 2.572 -2.420 -15.014 871 HB2 LEU 101 HB2 LEU 101 0.371 -2.933 -17.010 872 HB3 LEU 101 HB3 LEU 101 0.073 -2.455 -15.351 873 HG LEU 101 HG LEU 101 1.534 -0.822 -17.428 874 HD11 LEU 101 HD11 LEU 101 -0.886 -0.959 -17.784 875 HD12 LEU 101 HD12 LEU 101 -0.391 0.659 -17.290 876 HD13 LEU 101 HD13 LEU 101 -1.157 -0.424 -16.127 877 HD21 LEU 101 HD21 LEU 101 1.570 0.940 -15.752 878 HD22 LEU 101 HD22 LEU 101 2.436 -0.484 -15.174 879 HD23 LEU 101 HD23 LEU 101 0.811 -0.140 -14.581 880 H SER 102 H SER 102 1.444 -5.216 -16.889 881 HA SER 102 HA SER 102 0.394 -6.569 -14.605 882 HB2 SER 102 HB2 SER 102 -0.381 -6.906 -16.982 883 HB3 SER 102 HB3 SER 102 1.119 -7.781 -17.281 884 HG SER 102 HG SER 102 -0.502 -9.241 -16.751 885 H GLU 103 H GLU 103 3.485 -6.420 -16.171 886 HA GLU 103 HA GLU 103 4.608 -8.767 -14.999 887 HB2 GLU 103 HB2 GLU 103 5.559 -7.717 -17.012 888 HB3 GLU 103 HB3 GLU 103 5.952 -6.279 -16.084 889 HG2 GLU 103 HG2 GLU 103 7.941 -7.548 -16.383 890 HG3 GLU 103 HG3 GLU 103 7.469 -7.656 -14.688 891 H ALA 104 H ALA 104 4.696 -5.312 -14.196 892 HA ALA 104 HA ALA 104 6.253 -5.688 -11.831 893 HB1 ALA 104 HB1 ALA 104 5.818 -3.340 -11.394 894 HB2 ALA 104 HB2 ALA 104 4.569 -3.321 -12.638 895 HB3 ALA 104 HB3 ALA 104 6.254 -3.580 -13.084 896 H LEU 105 H LEU 105 2.852 -5.675 -12.564 897 HA LEU 105 HA LEU 105 1.846 -5.155 -9.990 898 HB2 LEU 105 HB2 LEU 105 0.624 -5.151 -12.233 899 HB3 LEU 105 HB3 LEU 105 0.507 -6.887 -12.055 900 HG LEU 105 HG LEU 105 -1.528 -5.513 -11.394 901 HD11 LEU 105 HD11 LEU 105 -0.360 -7.389 -9.344 902 HD12 LEU 105 HD12 LEU 105 -1.305 -7.850 -10.761 903 HD13 LEU 105 HD13 LEU 105 -2.056 -6.919 -9.464 904 HD21 LEU 105 HD21 LEU 105 -0.408 -3.730 -10.201 905 HD22 LEU 105 HD22 LEU 105 0.228 -4.883 -9.028 906 HD23 LEU 105 HD23 LEU 105 -1.507 -4.583 -9.117 907 H GLU 106 H GLU 106 2.894 -8.159 -11.535 908 HA GLU 106 HA GLU 106 1.755 -9.859 -9.570 909 HB2 GLU 106 HB2 GLU 106 2.915 -11.651 -10.595 910 HB3 GLU 106 HB3 GLU 106 2.433 -10.569 -11.886 911 HG2 GLU 106 HG2 GLU 106 4.526 -10.828 -12.596 912 HG3 GLU 106 HG3 GLU 106 4.932 -9.659 -11.339 913 H LYS 107 H LYS 107 4.599 -7.919 -9.610 914 HA LYS 107 HA LYS 107 6.098 -9.323 -7.656 915 HB2 LYS 107 HB2 LYS 107 6.105 -6.318 -7.920 916 HB3 LYS 107 HB3 LYS 107 7.413 -7.364 -7.399 917 HG2 LYS 107 HG2 LYS 107 6.379 -6.934 -10.183 918 HG3 LYS 107 HG3 LYS 107 7.981 -6.576 -9.544 919 HD2 LYS 107 HD2 LYS 107 6.781 -9.300 -10.010 920 HD3 LYS 107 HD3 LYS 107 8.082 -8.544 -10.926 921 HE2 LYS 107 HE2 LYS 107 9.544 -8.634 -9.011 922 HE3 LYS 107 HE3 LYS 107 8.231 -9.231 -7.996 923 HZ1 LYS 107 HZ1 LYS 107 9.576 -10.637 -10.232 924 HZ2 LYS 107 HZ2 LYS 107 8.112 -11.163 -9.574 925 HZ3 LYS 107 HZ3 LYS 107 9.507 -11.100 -8.600 926 H LEU 108 H LEU 108 3.587 -6.865 -7.518 927 HA LEU 108 HA LEU 108 3.615 -6.522 -4.700 928 HB2 LEU 108 HB2 LEU 108 1.476 -5.968 -6.761 929 HB3 LEU 108 HB3 LEU 108 1.294 -5.582 -5.063 930 HG LEU 108 HG LEU 108 1.890 -3.566 -6.098 931 HD11 LEU 108 HD11 LEU 108 4.411 -4.736 -4.952 932 HD12 LEU 108 HD12 LEU 108 3.113 -3.957 -4.048 933 HD13 LEU 108 HD13 LEU 108 4.085 -3.018 -5.182 934 HD21 LEU 108 HD21 LEU 108 3.801 -3.290 -7.592 935 HD22 LEU 108 HD22 LEU 108 2.626 -4.434 -8.240 936 HD23 LEU 108 HD23 LEU 108 4.118 -5.022 -7.507 937 H TRP 109 H TRP 109 1.789 -8.573 -6.908 938 HA TRP 109 HA TRP 109 -0.004 -9.716 -5.107 939 HB2 TRP 109 HB2 TRP 109 -0.335 -10.102 -7.430 940 HB3 TRP 109 HB3 TRP 109 1.279 -10.775 -7.628 941 HD1 TRP 109 HD1 TRP 109 1.270 -13.300 -7.896 942 HE1 TRP 109 HE1 TRP 109 -0.236 -15.252 -7.150 943 HE3 TRP 109 HE3 TRP 109 -2.157 -10.673 -5.161 944 HZ2 TRP 109 HZ2 TRP 109 -2.567 -15.623 -5.597 945 HZ3 TRP 109 HZ3 TRP 109 -3.989 -11.901 -4.072 946 HH2 TRP 109 HH2 TRP 109 -4.187 -14.324 -4.286 947 H ARG 110 H ARG 110 3.199 -10.889 -6.094 948 HA ARG 110 HA ARG 110 3.223 -13.174 -4.455 949 HB2 ARG 110 HB2 ARG 110 5.487 -11.544 -5.607 950 HB3 ARG 110 HB3 ARG 110 5.687 -13.118 -4.843 951 HG2 ARG 110 HG2 ARG 110 4.612 -14.236 -6.556 952 HG3 ARG 110 HG3 ARG 110 3.769 -12.789 -7.106 953 HD2 ARG 110 HD2 ARG 110 5.466 -13.341 -8.695 954 HD3 ARG 110 HD3 ARG 110 5.933 -11.867 -7.853 955 HE ARG 110 HE ARG 110 7.240 -13.704 -6.427 956 HH11 ARG 110 HH11 ARG 110 6.940 -13.203 -9.881 957 HH12 ARG 110 HH12 ARG 110 8.473 -13.948 -10.245 958 HH21 ARG 110 HH21 ARG 110 9.263 -14.663 -6.908 959 HH22 ARG 110 HH22 ARG 110 9.804 -14.740 -8.561 960 H ARG 111 H ARG 111 4.367 -9.879 -3.890 961 HA ARG 111 HA ARG 111 5.524 -10.354 -1.347 962 HB2 ARG 111 HB2 ARG 111 5.979 -8.331 -2.698 963 HB3 ARG 111 HB3 ARG 111 4.318 -7.807 -2.458 964 HG2 ARG 111 HG2 ARG 111 5.634 -6.577 -0.938 965 HG3 ARG 111 HG3 ARG 111 4.794 -7.803 0.015 966 HD2 ARG 111 HD2 ARG 111 7.056 -7.730 0.764 967 HD3 ARG 111 HD3 ARG 111 6.847 -9.219 -0.157 968 HE ARG 111 HE ARG 111 7.804 -7.088 -1.795 969 HH11 ARG 111 HH11 ARG 111 8.796 -9.496 0.536 970 HH12 ARG 111 HH12 ARG 111 10.451 -9.526 0.015 971 HH21 ARG 111 HH21 ARG 111 9.989 -7.108 -2.501 972 HH22 ARG 111 HH22 ARG 111 11.142 -8.128 -1.687 973 H HIS 112 H HIS 112 2.342 -9.277 -2.394 974 HA HIS 112 HA HIS 112 1.242 -8.726 0.135 975 HB2 HIS 112 HB2 HIS 112 0.351 -7.875 -2.002 976 HB3 HIS 112 HB3 HIS 112 -0.130 -9.505 -2.448 977 HD1 HIS 112 HD1 HIS 112 -2.445 -10.148 -1.875 978 HD2 HIS 112 HD2 HIS 112 -1.144 -6.880 0.337 979 HE1 HIS 112 HE1 HIS 112 -4.473 -9.317 -0.653 980 HE2 HIS 112 HE2 HIS 112 -3.696 -7.250 0.557 981 H CYS 113 H CYS 113 1.219 -11.645 -1.859 982 HA CYS 113 HA CYS 113 -0.697 -13.062 -0.349 983 HB2 CYS 113 HB2 CYS 113 -0.015 -13.590 -2.691 984 HB3 CYS 113 HB3 CYS 113 1.513 -14.205 -2.070 985 HG CYS 113 HG CYS 113 -1.558 -15.505 -1.271 986 H ARG 114 H ARG 114 2.788 -12.740 -0.034 987 HA ARG 114 HA ARG 114 2.862 -14.791 2.041 988 HB2 ARG 114 HB2 ARG 114 4.948 -13.308 0.495 989 HB3 ARG 114 HB3 ARG 114 5.378 -14.038 2.036 990 HG2 ARG 114 HG2 ARG 114 4.179 -15.505 -0.306 991 HG3 ARG 114 HG3 ARG 114 5.891 -15.492 0.128 992 HD2 ARG 114 HD2 ARG 114 5.281 -16.450 2.338 993 HD3 ARG 114 HD3 ARG 114 3.610 -16.565 1.785 994 HE ARG 114 HE ARG 114 5.430 -17.872 0.009 995 HH11 ARG 114 HH11 ARG 114 3.723 -18.255 3.050 996 HH12 ARG 114 HH12 ARG 114 3.683 -19.988 2.958 997 HH21 ARG 114 HH21 ARG 114 5.385 -20.156 -0.111 998 HH22 ARG 114 HH22 ARG 114 4.649 -21.063 1.176 999 H LEU 115 H LEU 115 2.442 -11.443 1.834 1000 HA LEU 115 HA LEU 115 3.897 -10.563 4.080 1001 HB2 LEU 115 HB2 LEU 115 2.989 -9.065 2.339 1002 HB3 LEU 115 HB3 LEU 115 1.366 -9.407 2.906 1003 HG LEU 115 HG LEU 115 1.947 -8.389 5.092 1004 HD11 LEU 115 HD11 LEU 115 4.342 -8.753 5.073 1005 HD12 LEU 115 HD12 LEU 115 3.989 -7.035 5.258 1006 HD13 LEU 115 HD13 LEU 115 4.521 -7.663 3.698 1007 HD21 LEU 115 HD21 LEU 115 0.819 -7.072 3.385 1008 HD22 LEU 115 HD22 LEU 115 2.372 -6.621 2.683 1009 HD23 LEU 115 HD23 LEU 115 1.941 -6.069 4.301 1010 H ALA 116 H ALA 116 0.573 -11.721 3.734 1011 HA ALA 116 HA ALA 116 -0.057 -11.256 6.506 1012 HB1 ALA 116 HB1 ALA 116 -2.214 -12.259 5.971 1013 HB2 ALA 116 HB2 ALA 116 -1.598 -12.761 4.396 1014 HB3 ALA 116 HB3 ALA 116 -1.767 -11.047 4.770 1015 H ARG 117 H ARG 117 1.959 -13.377 5.261 1016 HA ARG 117 HA ARG 117 1.360 -15.403 7.284 1017 HB2 ARG 117 HB2 ARG 117 1.746 -15.817 4.352 1018 HB3 ARG 117 HB3 ARG 117 2.333 -17.043 5.469 1019 HG2 ARG 117 HG2 ARG 117 0.165 -17.434 6.321 1020 HG3 ARG 117 HG3 ARG 117 -0.485 -16.009 5.515 1021 HD2 ARG 117 HD2 ARG 117 0.696 -18.328 4.015 1022 HD3 ARG 117 HD3 ARG 117 -1.009 -18.250 4.458 1023 HE ARG 117 HE ARG 117 0.173 -16.050 2.922 1024 HH11 ARG 117 HH11 ARG 117 -1.981 -18.810 3.050 1025 HH12 ARG 117 HH12 ARG 117 -2.901 -18.312 1.659 1026 HH21 ARG 117 HH21 ARG 117 -1.023 -15.403 1.106 1027 HH22 ARG 117 HH22 ARG 117 -2.362 -16.367 0.554 1028 H GLY 118 H GLY 118 3.274 -13.109 6.872 1029 HA2 GLY 118 HA2 GLY 118 5.801 -14.614 7.099 1030 HA3 GLY 118 HA3 GLY 118 5.682 -12.932 6.595 1031 H SER 119 H SER 119 6.467 -14.900 9.111 1032 HA SER 119 HA SER 119 6.370 -12.683 10.993 1033 HB2 SER 119 HB2 SER 119 5.304 -15.421 11.730 1034 HB3 SER 119 HB3 SER 119 5.340 -13.987 12.758 1035 HG SER 119 HG SER 119 4.047 -13.149 10.740 Start of MODEL 20 1 H1 MET 1 H1 MET 1 1.347 -5.907 29.527 2 H2 MET 1 H2 MET 1 1.283 -4.533 28.536 3 H3 MET 1 H3 MET 1 2.657 -5.529 28.518 4 HA MET 1 HA MET 1 1.454 -7.318 27.550 5 HB2 MET 1 HB2 MET 1 -0.910 -5.472 27.881 6 HB3 MET 1 HB3 MET 1 -0.931 -6.863 26.807 7 HG2 MET 1 HG2 MET 1 -1.977 -7.426 28.896 8 HG3 MET 1 HG3 MET 1 -0.477 -8.330 28.715 9 HE1 MET 1 HE1 MET 1 -0.644 -7.797 32.581 10 HE2 MET 1 HE2 MET 1 -0.452 -8.970 31.278 11 HE3 MET 1 HE3 MET 1 -1.985 -8.122 31.485 12 H VAL 2 H VAL 2 1.633 -7.526 25.376 13 HA VAL 2 HA VAL 2 1.747 -5.041 23.792 14 HB VAL 2 HB VAL 2 3.704 -7.343 23.574 15 HG11 VAL 2 HG11 VAL 2 3.262 -6.318 21.416 16 HG12 VAL 2 HG12 VAL 2 4.885 -5.906 21.969 17 HG13 VAL 2 HG13 VAL 2 3.585 -4.720 22.087 18 HG21 VAL 2 HG21 VAL 2 4.176 -6.054 25.556 19 HG22 VAL 2 HG22 VAL 2 4.081 -4.549 24.644 20 HG23 VAL 2 HG23 VAL 2 5.387 -5.690 24.326 21 H LYS 3 H LYS 3 0.761 -5.146 21.842 22 HA LYS 3 HA LYS 3 0.287 -7.734 20.606 23 HB2 LYS 3 HB2 LYS 3 -2.105 -7.141 20.142 24 HB3 LYS 3 HB3 LYS 3 -1.752 -7.508 21.822 25 HG2 LYS 3 HG2 LYS 3 -1.867 -5.210 22.432 26 HG3 LYS 3 HG3 LYS 3 -1.927 -4.707 20.741 27 HD2 LYS 3 HD2 LYS 3 -4.140 -4.647 21.883 28 HD3 LYS 3 HD3 LYS 3 -4.101 -5.691 20.461 29 HE2 LYS 3 HE2 LYS 3 -3.769 -7.641 21.955 30 HE3 LYS 3 HE3 LYS 3 -3.927 -6.569 23.345 31 HZ1 LYS 3 HZ1 LYS 3 -6.040 -6.844 21.281 32 HZ2 LYS 3 HZ2 LYS 3 -6.169 -6.122 22.809 33 HZ3 LYS 3 HZ3 LYS 3 -5.987 -7.804 22.676 34 H LEU 4 H LEU 4 -1.541 -6.610 18.649 35 HA LEU 4 HA LEU 4 0.360 -5.757 16.763 36 HB2 LEU 4 HB2 LEU 4 -2.651 -5.610 16.690 37 HB3 LEU 4 HB3 LEU 4 -1.620 -5.264 15.319 38 HG LEU 4 HG LEU 4 -2.376 -7.443 14.957 39 HD11 LEU 4 HD11 LEU 4 -0.400 -8.871 15.183 40 HD12 LEU 4 HD12 LEU 4 0.325 -7.676 16.258 41 HD13 LEU 4 HD13 LEU 4 -0.002 -7.265 14.575 42 HD21 LEU 4 HD21 LEU 4 -1.710 -8.089 17.824 43 HD22 LEU 4 HD22 LEU 4 -2.327 -9.228 16.625 44 HD23 LEU 4 HD23 LEU 4 -3.328 -7.874 17.151 45 H ALA 5 H ALA 5 -1.384 -4.005 19.107 46 HA ALA 5 HA ALA 5 -0.260 -1.517 18.051 47 HB1 ALA 5 HB1 ALA 5 -2.268 -0.271 18.636 48 HB2 ALA 5 HB2 ALA 5 -3.060 -1.759 19.156 49 HB3 ALA 5 HB3 ALA 5 -2.649 -1.526 17.456 50 H PHE 6 H PHE 6 0.305 -0.002 19.683 51 HA PHE 6 HA PHE 6 0.755 -1.288 22.268 52 HB2 PHE 6 HB2 PHE 6 1.811 1.323 21.161 53 HB3 PHE 6 HB3 PHE 6 2.281 0.603 22.698 54 HD1 PHE 6 HD2 PHE 6 3.324 -1.748 22.610 55 HD2 PHE 6 HD1 PHE 6 2.975 0.810 19.227 56 HE1 PHE 6 HE2 PHE 6 5.093 -3.022 21.467 57 HE2 PHE 6 HE1 PHE 6 4.738 -0.462 18.077 58 HZ PHE 6 HZ PHE 6 5.801 -2.379 19.197 59 HA PRO 7 HA PRO 7 -2.467 0.841 24.390 60 HB2 PRO 7 HB2 PRO 7 -1.262 1.157 26.844 61 HB3 PRO 7 HB3 PRO 7 -2.028 -0.335 26.296 62 HG2 PRO 7 HG2 PRO 7 0.862 0.416 26.325 63 HG3 PRO 7 HG3 PRO 7 0.104 -1.143 26.698 64 HD2 PRO 7 HD2 PRO 7 1.331 -0.669 24.345 65 HD3 PRO 7 HD3 PRO 7 -0.095 -1.720 24.470 66 H ARG 8 H ARG 8 0.779 2.151 24.342 67 HA ARG 8 HA ARG 8 -0.194 4.821 25.049 68 HB2 ARG 8 HB2 ARG 8 2.538 3.593 24.787 69 HB3 ARG 8 HB3 ARG 8 2.348 5.337 24.754 70 HG2 ARG 8 HG2 ARG 8 2.956 4.472 26.977 71 HG3 ARG 8 HG3 ARG 8 1.417 5.331 26.974 72 HD2 ARG 8 HD2 ARG 8 0.191 3.286 27.063 73 HD3 ARG 8 HD3 ARG 8 1.646 2.333 26.778 74 HE ARG 8 HE ARG 8 2.281 2.656 28.994 75 HH11 ARG 8 HH11 ARG 8 -0.618 4.508 28.306 76 HH12 ARG 8 HH12 ARG 8 -1.080 4.619 29.983 77 HH21 ARG 8 HH21 ARG 8 1.659 2.789 31.176 78 HH22 ARG 8 HH22 ARG 8 0.215 3.667 31.604 79 H GLU 9 H GLU 9 -0.473 3.157 22.433 80 HA GLU 9 HA GLU 9 0.669 5.111 20.550 81 HB2 GLU 9 HB2 GLU 9 1.391 2.756 20.305 82 HB3 GLU 9 HB3 GLU 9 -0.285 2.280 20.085 83 HG2 GLU 9 HG2 GLU 9 -0.212 3.979 18.111 84 HG3 GLU 9 HG3 GLU 9 1.531 3.735 18.233 85 H LEU 10 H LEU 10 -2.241 4.078 21.938 86 HA LEU 10 HA LEU 10 -3.859 4.185 19.550 87 HB2 LEU 10 HB2 LEU 10 -4.147 2.556 21.465 88 HB3 LEU 10 HB3 LEU 10 -4.799 3.890 22.397 89 HG LEU 10 HG LEU 10 -6.614 4.142 20.732 90 HD11 LEU 10 HD11 LEU 10 -6.968 2.392 19.064 91 HD12 LEU 10 HD12 LEU 10 -5.440 1.643 19.520 92 HD13 LEU 10 HD13 LEU 10 -5.450 3.244 18.787 93 HD21 LEU 10 HD21 LEU 10 -6.926 2.791 22.750 94 HD22 LEU 10 HD22 LEU 10 -6.354 1.366 21.880 95 HD23 LEU 10 HD23 LEU 10 -7.854 2.155 21.390 96 H ARG 11 H ARG 11 -2.541 6.669 20.594 97 HA ARG 11 HA ARG 11 -4.974 8.300 20.851 98 HB2 ARG 11 HB2 ARG 11 -2.416 8.428 22.201 99 HB3 ARG 11 HB3 ARG 11 -2.786 9.949 21.402 100 HG2 ARG 11 HG2 ARG 11 -3.562 9.898 23.725 101 HG3 ARG 11 HG3 ARG 11 -4.889 10.103 22.581 102 HD2 ARG 11 HD2 ARG 11 -5.394 7.706 22.758 103 HD3 ARG 11 HD3 ARG 11 -4.082 7.520 23.921 104 HE ARG 11 HE ARG 11 -5.714 9.482 24.958 105 HH11 ARG 11 HH11 ARG 11 -6.122 6.132 24.002 106 HH12 ARG 11 HH12 ARG 11 -7.353 5.819 25.190 107 HH21 ARG 11 HH21 ARG 11 -7.333 9.055 26.512 108 HH22 ARG 11 HH22 ARG 11 -8.035 7.466 26.603 109 H LEU 12 H LEU 12 -5.571 8.959 18.914 110 HA LEU 12 HA LEU 12 -3.669 10.435 17.301 111 HB2 LEU 12 HB2 LEU 12 -4.269 9.325 15.215 112 HB3 LEU 12 HB3 LEU 12 -3.515 8.217 16.329 113 HG LEU 12 HG LEU 12 -5.213 7.032 15.170 114 HD11 LEU 12 HD11 LEU 12 -6.272 7.680 17.907 115 HD12 LEU 12 HD12 LEU 12 -5.075 6.447 17.506 116 HD13 LEU 12 HD13 LEU 12 -6.732 6.291 16.919 117 HD21 LEU 12 HD21 LEU 12 -6.538 8.846 14.319 118 HD22 LEU 12 HD22 LEU 12 -7.139 9.212 15.936 119 HD23 LEU 12 HD23 LEU 12 -7.578 7.693 15.156 120 H LEU 13 H LEU 13 -4.785 11.685 15.561 121 HA LEU 13 HA LEU 13 -7.478 12.451 16.473 122 HB2 LEU 13 HB2 LEU 13 -5.329 14.181 15.244 123 HB3 LEU 13 HB3 LEU 13 -6.955 14.718 15.613 124 HG LEU 13 HG LEU 13 -4.929 13.783 17.650 125 HD11 LEU 13 HD11 LEU 13 -5.913 16.555 16.990 126 HD12 LEU 13 HD12 LEU 13 -4.303 15.915 16.658 127 HD13 LEU 13 HD13 LEU 13 -4.842 16.131 18.324 128 HD21 LEU 13 HD21 LEU 13 -6.531 14.613 19.298 129 HD22 LEU 13 HD22 LEU 13 -7.227 13.315 18.326 130 HD23 LEU 13 HD23 LEU 13 -7.671 14.993 18.005 131 H THR 14 H THR 14 -9.061 12.638 15.015 132 HA THR 14 HA THR 14 -10.287 12.348 13.160 133 HB THR 14 HB THR 14 -9.484 13.212 11.021 134 HG1 THR 14 HG1 THR 14 -7.011 12.845 12.181 135 HG21 THR 14 HG21 THR 14 -8.997 15.519 11.735 136 HG22 THR 14 HG22 THR 14 -8.732 14.936 13.378 137 HG23 THR 14 HG23 THR 14 -10.327 14.799 12.639 138 HA PRO 15 HA PRO 15 -9.603 8.374 11.387 139 HB2 PRO 15 HB2 PRO 15 -10.632 9.218 8.766 140 HB3 PRO 15 HB3 PRO 15 -11.310 8.063 9.918 141 HG2 PRO 15 HG2 PRO 15 -12.441 10.464 9.475 142 HG3 PRO 15 HG3 PRO 15 -12.469 9.689 11.069 143 HD2 PRO 15 HD2 PRO 15 -10.705 11.894 10.064 144 HD3 PRO 15 HD3 PRO 15 -11.495 11.713 11.647 145 H SER 16 H SER 16 -7.313 8.454 11.351 146 HA SER 16 HA SER 16 -6.256 8.569 8.625 147 HB2 SER 16 HB2 SER 16 -5.669 10.704 9.764 148 HB3 SER 16 HB3 SER 16 -4.836 9.777 11.012 149 HG SER 16 HG SER 16 -3.599 10.657 9.084 150 H GLN 17 H GLN 17 -5.526 6.619 8.191 151 HA GLN 17 HA GLN 17 -4.350 5.014 10.342 152 HB2 GLN 17 HB2 GLN 17 -4.453 3.151 8.656 153 HB3 GLN 17 HB3 GLN 17 -6.016 3.807 9.122 154 HG2 GLN 17 HG2 GLN 17 -6.003 5.171 7.052 155 HG3 GLN 17 HG3 GLN 17 -4.506 4.365 6.579 156 HE21 GLN 17 HE21 GLN 17 -4.567 2.223 5.925 157 HE22 GLN 17 HE22 GLN 17 -6.040 1.416 5.530 158 H PHE 18 H PHE 18 -3.547 7.026 7.770 159 HA PHE 18 HA PHE 18 -1.160 5.928 6.804 160 HB2 PHE 18 HB2 PHE 18 -2.209 7.781 5.668 161 HB3 PHE 18 HB3 PHE 18 -2.035 8.809 7.085 162 HD1 PHE 18 HD2 PHE 18 -0.087 6.976 4.513 163 HD2 PHE 18 HD1 PHE 18 -0.140 10.139 7.358 164 HE1 PHE 18 HE2 PHE 18 2.069 7.786 3.647 165 HE2 PHE 18 HE1 PHE 18 2.017 10.954 6.501 166 HZ PHE 18 HZ PHE 18 3.123 9.777 4.641 167 H THR 19 H THR 19 -1.650 8.325 9.393 168 HA THR 19 HA THR 19 1.109 8.343 10.126 169 HB THR 19 HB THR 19 -1.187 9.294 11.838 170 HG1 THR 19 HG1 THR 19 0.126 10.912 9.902 171 HG21 THR 19 HG21 THR 19 1.014 9.347 12.893 172 HG22 THR 19 HG22 THR 19 0.452 10.986 12.565 173 HG23 THR 19 HG23 THR 19 1.666 10.246 11.522 174 H PHE 20 H PHE 20 -1.490 6.252 10.795 175 HA PHE 20 HA PHE 20 -0.556 5.426 13.399 176 HB2 PHE 20 HB2 PHE 20 -3.004 5.402 12.287 177 HB3 PHE 20 HB3 PHE 20 -2.506 3.755 11.912 178 HD1 PHE 20 HD2 PHE 20 -2.451 6.117 14.798 179 HD2 PHE 20 HD1 PHE 20 -3.050 2.128 13.443 180 HE1 PHE 20 HE2 PHE 20 -3.050 5.436 17.084 181 HE2 PHE 20 HE1 PHE 20 -3.652 1.443 15.728 182 HZ PHE 20 HZ PHE 20 -3.652 3.095 17.550 183 H VAL 21 H VAL 21 -0.609 4.079 10.103 184 HA VAL 21 HA VAL 21 0.879 1.745 10.834 185 HB VAL 21 HB VAL 21 1.159 1.348 8.437 186 HG11 VAL 21 HG11 VAL 21 -1.622 2.262 9.157 187 HG12 VAL 21 HG12 VAL 21 -0.930 0.667 9.455 188 HG13 VAL 21 HG13 VAL 21 -1.207 1.212 7.801 189 HG21 VAL 21 HG21 VAL 21 0.241 2.892 6.774 190 HG22 VAL 21 HG22 VAL 21 1.551 3.635 7.693 191 HG23 VAL 21 HG23 VAL 21 -0.125 4.052 8.053 192 H PHE 22 H PHE 22 1.665 4.995 10.245 193 HA PHE 22 HA PHE 22 4.290 4.648 9.213 194 HB2 PHE 22 HB2 PHE 22 2.875 6.716 8.983 195 HB3 PHE 22 HB3 PHE 22 3.192 7.054 10.679 196 HD1 PHE 22 HD1 PHE 22 4.898 6.512 7.425 197 HD2 PHE 22 HD2 PHE 22 5.080 8.260 11.302 198 HE1 PHE 22 HE1 PHE 22 6.958 7.700 6.789 199 HE2 PHE 22 HE2 PHE 22 7.140 9.448 10.674 200 HZ PHE 22 HZ PHE 22 8.082 9.170 8.414 201 H GLN 23 H GLN 23 2.982 4.215 12.315 202 HA GLN 23 HA GLN 23 5.199 4.947 13.917 203 HB2 GLN 23 HB2 GLN 23 3.148 2.792 14.462 204 HB3 GLN 23 HB3 GLN 23 4.182 3.569 15.651 205 HG2 GLN 23 HG2 GLN 23 2.007 4.887 14.046 206 HG3 GLN 23 HG3 GLN 23 1.936 4.459 15.755 207 HE21 GLN 23 HE21 GLN 23 1.675 7.047 14.376 208 HE22 GLN 23 HE22 GLN 23 2.857 8.087 15.103 209 H GLN 24 H GLN 24 4.328 2.030 12.187 210 HA GLN 24 HA GLN 24 7.101 1.251 12.096 211 HB2 GLN 24 HB2 GLN 24 6.286 0.132 14.170 212 HB3 GLN 24 HB3 GLN 24 5.050 -0.680 13.219 213 HG2 GLN 24 HG2 GLN 24 6.829 -1.759 11.890 214 HG3 GLN 24 HG3 GLN 24 8.029 -1.008 12.940 215 HE21 GLN 24 HE21 GLN 24 8.822 -2.983 13.626 216 HE22 GLN 24 HE22 GLN 24 7.949 -4.017 14.702 217 HA PRO 25 HA PRO 25 4.634 0.449 8.342 218 HB2 PRO 25 HB2 PRO 25 6.152 1.882 6.627 219 HB3 PRO 25 HB3 PRO 25 4.915 2.614 7.651 220 HG2 PRO 25 HG2 PRO 25 7.853 2.724 7.877 221 HG3 PRO 25 HG3 PRO 25 6.634 3.853 8.483 222 HD2 PRO 25 HD2 PRO 25 8.031 1.847 9.947 223 HD3 PRO 25 HD3 PRO 25 6.731 2.903 10.529 224 H GLN 26 H GLN 26 4.910 -1.479 7.452 225 HA GLN 26 HA GLN 26 7.628 -2.402 6.860 226 HB2 GLN 26 HB2 GLN 26 5.008 -3.912 6.966 227 HB3 GLN 26 HB3 GLN 26 6.561 -4.634 6.562 228 HG2 GLN 26 HG2 GLN 26 7.413 -4.036 8.773 229 HG3 GLN 26 HG3 GLN 26 5.858 -3.314 9.176 230 HE21 GLN 26 HE21 GLN 26 5.564 -4.680 10.916 231 HE22 GLN 26 HE22 GLN 26 5.174 -6.352 10.732 232 H ARG 27 H ARG 27 8.349 -2.078 4.891 233 HA ARG 27 HA ARG 27 6.476 -1.404 2.769 234 HB2 ARG 27 HB2 ARG 27 8.557 -0.061 3.279 235 HB3 ARG 27 HB3 ARG 27 9.499 -1.415 2.685 236 HG2 ARG 27 HG2 ARG 27 7.435 -0.067 0.975 237 HG3 ARG 27 HG3 ARG 27 9.081 0.549 1.109 238 HD2 ARG 27 HD2 ARG 27 8.210 -2.151 0.088 239 HD3 ARG 27 HD3 ARG 27 8.935 -0.838 -0.839 240 HE ARG 27 HE ARG 27 10.666 -1.581 1.256 241 HH11 ARG 27 HH11 ARG 27 9.510 -2.719 -1.850 242 HH12 ARG 27 HH12 ARG 27 10.896 -3.721 -2.143 243 HH21 ARG 27 HH21 ARG 27 12.473 -2.902 0.894 244 HH22 ARG 27 HH22 ARG 27 12.574 -3.847 -0.565 245 H ALA 28 H ALA 28 5.629 -3.055 1.705 246 HA ALA 28 HA ALA 28 7.453 -5.120 0.692 247 HB1 ALA 28 HB1 ALA 28 4.712 -5.666 1.835 248 HB2 ALA 28 HB2 ALA 28 6.246 -6.058 2.614 249 HB3 ALA 28 HB3 ALA 28 5.792 -6.854 1.108 250 H GLY 29 H GLY 29 7.444 -4.947 -1.440 251 HA2 GLY 29 HA2 GLY 29 5.628 -5.535 -3.243 252 HA3 GLY 29 HA3 GLY 29 5.047 -3.940 -2.788 253 H THR 30 H THR 30 5.397 -3.378 -5.006 254 HA THR 30 HA THR 30 8.003 -3.393 -6.170 255 HB THR 30 HB THR 30 5.806 -1.584 -7.101 256 HG1 THR 30 HG1 THR 30 4.762 -3.407 -8.028 257 HG21 THR 30 HG21 THR 30 7.867 -1.663 -8.395 258 HG22 THR 30 HG22 THR 30 6.548 -2.386 -9.315 259 HG23 THR 30 HG23 THR 30 7.740 -3.418 -8.525 260 HA PRO 31 HA PRO 31 9.613 0.380 -4.385 261 HB2 PRO 31 HB2 PRO 31 10.916 0.841 -6.999 262 HB3 PRO 31 HB3 PRO 31 11.639 0.662 -5.397 263 HG2 PRO 31 HG2 PRO 31 11.833 -1.277 -7.227 264 HG3 PRO 31 HG3 PRO 31 11.635 -1.647 -5.505 265 HD2 PRO 31 HD2 PRO 31 9.613 -1.720 -7.705 266 HD3 PRO 31 HD3 PRO 31 9.844 -2.841 -6.345 267 H GLN 32 H GLN 32 8.563 0.611 -7.790 268 HA GLN 32 HA GLN 32 8.207 3.384 -7.857 269 HB2 GLN 32 HB2 GLN 32 6.718 1.279 -9.435 270 HB3 GLN 32 HB3 GLN 32 6.729 2.996 -9.802 271 HG2 GLN 32 HG2 GLN 32 8.278 2.152 -11.279 272 HG3 GLN 32 HG3 GLN 32 9.291 2.713 -9.950 273 HE21 GLN 32 HE21 GLN 32 7.994 -0.055 -11.595 274 HE22 GLN 32 HE22 GLN 32 9.051 -1.232 -10.894 275 H ILE 33 H ILE 33 5.862 0.823 -7.166 276 HA ILE 33 HA ILE 33 4.066 2.867 -6.062 277 HB ILE 33 HB ILE 33 2.912 1.683 -7.773 278 HG12 ILE 33 HG12 ILE 33 2.094 0.505 -5.111 279 HG13 ILE 33 HG13 ILE 33 1.617 2.085 -5.725 280 HG21 ILE 33 HG21 ILE 33 4.373 -0.234 -8.002 281 HG22 ILE 33 HG22 ILE 33 2.697 -0.758 -7.843 282 HG23 ILE 33 HG23 ILE 33 3.795 -0.884 -6.470 283 HD11 ILE 33 HD11 ILE 33 0.904 -0.575 -6.938 284 HD12 ILE 33 HD12 ILE 33 0.433 1.003 -7.567 285 HD13 ILE 33 HD13 ILE 33 -0.164 0.466 -5.997 286 H THR 34 H THR 34 4.762 3.083 -4.015 287 HA THR 34 HA THR 34 5.749 0.783 -2.558 288 HB THR 34 HB THR 34 5.574 3.674 -1.697 289 HG1 THR 34 HG1 THR 34 7.134 2.524 -3.521 290 HG21 THR 34 HG21 THR 34 5.791 2.126 0.182 291 HG22 THR 34 HG22 THR 34 7.281 3.039 -0.054 292 HG23 THR 34 HG23 THR 34 7.178 1.363 -0.597 293 H ILE 35 H ILE 35 4.258 -0.492 -1.654 294 HA ILE 35 HA ILE 35 1.941 0.678 -0.330 295 HB ILE 35 HB ILE 35 2.687 -2.244 -0.581 296 HG12 ILE 35 HG12 ILE 35 0.536 -2.081 -2.126 297 HG13 ILE 35 HG13 ILE 35 1.078 -0.418 -2.314 298 HG21 ILE 35 HG21 ILE 35 1.280 -1.838 1.335 299 HG22 ILE 35 HG22 ILE 35 0.343 -2.642 0.075 300 HG23 ILE 35 HG23 ILE 35 0.150 -0.911 0.347 301 HD11 ILE 35 HD11 ILE 35 1.896 -1.826 -4.111 302 HD12 ILE 35 HD12 ILE 35 2.688 -2.882 -2.941 303 HD13 ILE 35 HD13 ILE 35 3.231 -1.214 -3.135 304 H LEU 36 H LEU 36 2.414 1.529 1.582 305 HA LEU 36 HA LEU 36 4.242 0.136 3.395 306 HB2 LEU 36 HB2 LEU 36 2.913 2.846 3.595 307 HB3 LEU 36 HB3 LEU 36 4.006 2.183 4.794 308 HG LEU 36 HG LEU 36 4.768 2.781 1.935 309 HD11 LEU 36 HD11 LEU 36 5.346 4.344 4.448 310 HD12 LEU 36 HD12 LEU 36 4.223 4.820 3.174 311 HD13 LEU 36 HD13 LEU 36 5.948 4.706 2.831 312 HD21 LEU 36 HD21 LEU 36 6.432 2.049 4.343 313 HD22 LEU 36 HD22 LEU 36 7.053 2.491 2.751 314 HD23 LEU 36 HD23 LEU 36 6.105 1.017 2.949 315 H GLY 37 H GLY 37 3.333 -1.365 4.660 316 HA2 GLY 37 HA2 GLY 37 0.616 -0.813 5.677 317 HA3 GLY 37 HA3 GLY 37 1.063 -2.394 5.063 318 H ARG 38 H ARG 38 0.031 -2.073 7.588 319 HA ARG 38 HA ARG 38 2.211 -3.196 9.128 320 HB2 ARG 38 HB2 ARG 38 2.373 -0.831 9.708 321 HB3 ARG 38 HB3 ARG 38 0.655 -0.779 10.076 322 HG2 ARG 38 HG2 ARG 38 1.016 -2.365 11.915 323 HG3 ARG 38 HG3 ARG 38 2.745 -2.358 11.559 324 HD2 ARG 38 HD2 ARG 38 2.883 -0.006 12.071 325 HD3 ARG 38 HD3 ARG 38 1.136 0.083 12.296 326 HE ARG 38 HE ARG 38 2.663 -1.728 14.018 327 HH11 ARG 38 HH11 ARG 38 0.898 1.275 13.645 328 HH12 ARG 38 HH12 ARG 38 0.658 1.491 15.359 329 HH21 ARG 38 HH21 ARG 38 2.363 -1.444 16.252 330 HH22 ARG 38 HH22 ARG 38 1.510 -0.035 16.842 331 H LEU 39 H LEU 39 1.495 -4.751 10.510 332 HA LEU 39 HA LEU 39 -1.317 -5.409 10.441 333 HB2 LEU 39 HB2 LEU 39 0.453 -7.153 10.277 334 HB3 LEU 39 HB3 LEU 39 0.947 -6.769 11.913 335 HG LEU 39 HG LEU 39 -1.238 -7.508 12.753 336 HD11 LEU 39 HD11 LEU 39 -1.779 -8.251 9.882 337 HD12 LEU 39 HD12 LEU 39 -2.594 -6.984 10.802 338 HD13 LEU 39 HD13 LEU 39 -2.788 -8.675 11.266 339 HD21 LEU 39 HD21 LEU 39 0.134 -9.533 10.990 340 HD22 LEU 39 HD22 LEU 39 -0.923 -9.892 12.354 341 HD23 LEU 39 HD23 LEU 39 0.621 -9.087 12.625 342 H ASN 40 H ASN 40 -2.270 -3.724 11.547 343 HA ASN 40 HA ASN 40 -1.456 -3.296 14.336 344 HB2 ASN 40 HB2 ASN 40 -1.570 -1.336 12.769 345 HB3 ASN 40 HB3 ASN 40 -3.297 -1.615 12.617 346 HD21 ASN 40 HD21 ASN 40 -0.744 -0.533 14.708 347 HD22 ASN 40 HD22 ASN 40 -1.754 0.227 15.883 348 H SER 41 H SER 41 -3.383 -2.722 15.801 349 HA SER 41 HA SER 41 -5.115 -5.001 15.849 350 HB2 SER 41 HB2 SER 41 -4.095 -3.750 17.860 351 HB3 SER 41 HB3 SER 41 -5.378 -2.567 17.616 352 HG SER 41 HG SER 41 -6.903 -4.189 17.973 353 H LEU 42 H LEU 42 -5.272 -1.906 14.452 354 HA LEU 42 HA LEU 42 -8.113 -1.645 14.354 355 HB2 LEU 42 HB2 LEU 42 -5.796 -0.323 13.048 356 HB3 LEU 42 HB3 LEU 42 -7.332 -0.226 12.212 357 HG LEU 42 HG LEU 42 -6.929 1.749 13.600 358 HD11 LEU 42 HD11 LEU 42 -9.057 1.755 14.803 359 HD12 LEU 42 HD12 LEU 42 -9.167 0.005 14.610 360 HD13 LEU 42 HD13 LEU 42 -9.215 1.054 13.193 361 HD21 LEU 42 HD21 LEU 42 -6.960 1.580 16.043 362 HD22 LEU 42 HD22 LEU 42 -5.569 0.747 15.351 363 HD23 LEU 42 HD23 LEU 42 -6.957 -0.179 15.920 364 H GLY 43 H GLY 43 -5.748 -2.488 11.803 365 HA2 GLY 43 HA2 GLY 43 -5.900 -3.917 10.024 366 HA3 GLY 43 HA3 GLY 43 -7.022 -4.846 11.006 367 H HIS 44 H HIS 44 -7.086 -1.675 9.407 368 HA HIS 44 HA HIS 44 -9.847 -2.214 8.607 369 HB2 HIS 44 HB2 HIS 44 -9.314 -0.079 9.777 370 HB3 HIS 44 HB3 HIS 44 -8.280 0.373 8.428 371 HD1 HIS 44 HD1 HIS 44 -11.935 -0.591 8.978 372 HD2 HIS 44 HD2 HIS 44 -9.570 1.851 6.568 373 HE1 HIS 44 HE1 HIS 44 -13.538 0.699 7.529 374 HE2 HIS 44 HE2 HIS 44 -12.099 2.272 6.188 375 HA PRO 45 HA PRO 45 -7.888 -3.261 4.681 376 HB2 PRO 45 HB2 PRO 45 -10.463 -4.417 3.965 377 HB3 PRO 45 HB3 PRO 45 -8.913 -5.224 4.215 378 HG2 PRO 45 HG2 PRO 45 -11.015 -5.512 5.911 379 HG3 PRO 45 HG3 PRO 45 -9.325 -5.614 6.439 380 HD2 PRO 45 HD2 PRO 45 -11.244 -3.321 6.659 381 HD3 PRO 45 HD3 PRO 45 -10.074 -3.928 7.851 382 H ARG 46 H ARG 46 -7.843 -1.060 4.038 383 HA ARG 46 HA ARG 46 -9.725 -0.547 1.899 384 HB2 ARG 46 HB2 ARG 46 -10.530 0.545 4.162 385 HB3 ARG 46 HB3 ARG 46 -9.273 1.721 3.805 386 HG2 ARG 46 HG2 ARG 46 -11.147 2.696 2.884 387 HG3 ARG 46 HG3 ARG 46 -10.414 1.895 1.494 388 HD2 ARG 46 HD2 ARG 46 -12.769 0.965 3.128 389 HD3 ARG 46 HD3 ARG 46 -12.761 1.460 1.438 390 HE ARG 46 HE ARG 46 -11.383 -0.975 2.396 391 HH11 ARG 46 HH11 ARG 46 -13.472 0.683 0.114 392 HH12 ARG 46 HH12 ARG 46 -13.677 -0.716 -0.901 393 HH21 ARG 46 HH21 ARG 46 -11.634 -2.805 1.058 394 HH22 ARG 46 HH22 ARG 46 -12.619 -2.694 -0.366 395 H ILE 47 H ILE 47 -8.801 0.744 0.284 396 HA ILE 47 HA ILE 47 -5.917 0.927 0.508 397 HB ILE 47 HB ILE 47 -7.019 -0.076 -1.510 398 HG12 ILE 47 HG12 ILE 47 -5.242 2.321 -2.008 399 HG13 ILE 47 HG13 ILE 47 -4.691 0.720 -1.524 400 HG21 ILE 47 HG21 ILE 47 -7.744 2.787 -2.128 401 HG22 ILE 47 HG22 ILE 47 -8.873 1.483 -1.759 402 HG23 ILE 47 HG23 ILE 47 -7.906 1.420 -3.232 403 HD11 ILE 47 HD11 ILE 47 -4.365 1.067 -3.894 404 HD12 ILE 47 HD12 ILE 47 -6.084 1.407 -4.100 405 HD13 ILE 47 HD13 ILE 47 -5.554 -0.204 -3.611 406 H GLY 48 H GLY 48 -4.748 2.750 0.584 407 HA2 GLY 48 HA2 GLY 48 -6.176 5.315 0.261 408 HA3 GLY 48 HA3 GLY 48 -5.025 5.050 1.565 409 H LEU 49 H LEU 49 -5.438 5.891 -1.726 410 HA LEU 49 HA LEU 49 -2.634 5.523 -2.363 411 HB2 LEU 49 HB2 LEU 49 -4.251 5.002 -4.091 412 HB3 LEU 49 HB3 LEU 49 -4.924 6.619 -3.993 413 HG LEU 49 HG LEU 49 -2.822 7.558 -4.848 414 HD11 LEU 49 HD11 LEU 49 -1.272 5.897 -3.994 415 HD12 LEU 49 HD12 LEU 49 -1.090 6.086 -5.739 416 HD13 LEU 49 HD13 LEU 49 -1.943 4.688 -5.087 417 HD21 LEU 49 HD21 LEU 49 -4.580 6.990 -6.419 418 HD22 LEU 49 HD22 LEU 49 -3.958 5.344 -6.550 419 HD23 LEU 49 HD23 LEU 49 -2.995 6.703 -7.135 420 H THR 50 H THR 50 -1.281 6.941 -1.542 421 HA THR 50 HA THR 50 -1.970 9.797 -1.627 422 HB THR 50 HB THR 50 0.396 8.519 -0.240 423 HG1 THR 50 HG1 THR 50 -1.936 8.011 0.467 424 HG21 THR 50 HG21 THR 50 -0.912 11.231 0.042 425 HG22 THR 50 HG22 THR 50 0.652 10.902 -0.702 426 HG23 THR 50 HG23 THR 50 0.426 10.636 1.026 427 H VAL 51 H VAL 51 -1.658 10.072 -3.828 428 HA VAL 51 HA VAL 51 0.937 9.371 -4.950 429 HB VAL 51 HB VAL 51 -0.947 8.708 -6.296 430 HG11 VAL 51 HG11 VAL 51 -2.525 10.314 -7.256 431 HG12 VAL 51 HG12 VAL 51 -1.774 11.608 -6.319 432 HG13 VAL 51 HG13 VAL 51 -2.611 10.292 -5.494 433 HG21 VAL 51 HG21 VAL 51 -0.440 9.877 -8.413 434 HG22 VAL 51 HG22 VAL 51 1.006 9.383 -7.535 435 HG23 VAL 51 HG23 VAL 51 0.490 11.068 -7.502 436 H ALA 52 H ALA 52 2.515 10.792 -4.968 437 HA ALA 52 HA ALA 52 2.074 13.576 -4.463 438 HB1 ALA 52 HB1 ALA 52 4.591 12.128 -5.292 439 HB2 ALA 52 HB2 ALA 52 4.089 12.476 -3.636 440 HB3 ALA 52 HB3 ALA 52 4.500 13.798 -4.731 441 H LYS 53 H LYS 53 1.448 14.983 -5.926 442 HA LYS 53 HA LYS 53 1.125 14.295 -8.646 443 HB2 LYS 53 HB2 LYS 53 0.411 16.643 -8.936 444 HB3 LYS 53 HB3 LYS 53 -0.378 15.852 -7.579 445 HG2 LYS 53 HG2 LYS 53 1.153 16.970 -6.037 446 HG3 LYS 53 HG3 LYS 53 1.943 17.763 -7.401 447 HD2 LYS 53 HD2 LYS 53 -0.125 18.897 -7.971 448 HD3 LYS 53 HD3 LYS 53 -0.967 18.060 -6.666 449 HE2 LYS 53 HE2 LYS 53 0.463 19.151 -5.026 450 HE3 LYS 53 HE3 LYS 53 1.351 19.960 -6.317 451 HZ1 LYS 53 HZ1 LYS 53 -0.313 21.407 -5.306 452 HZ2 LYS 53 HZ2 LYS 53 -1.542 20.319 -5.735 453 HZ3 LYS 53 HZ3 LYS 53 -0.662 21.120 -6.941 454 H LYS 54 H LYS 54 3.855 15.409 -6.995 455 HA LYS 54 HA LYS 54 5.020 16.751 -9.290 456 HB2 LYS 54 HB2 LYS 54 6.959 17.129 -7.850 457 HB3 LYS 54 HB3 LYS 54 5.478 17.622 -7.042 458 HG2 LYS 54 HG2 LYS 54 5.486 15.525 -5.772 459 HG3 LYS 54 HG3 LYS 54 6.993 15.065 -6.564 460 HD2 LYS 54 HD2 LYS 54 6.697 17.600 -4.965 461 HD3 LYS 54 HD3 LYS 54 7.196 16.072 -4.245 462 HE2 LYS 54 HE2 LYS 54 9.192 17.217 -4.697 463 HE3 LYS 54 HE3 LYS 54 9.045 16.029 -5.989 464 HZ1 LYS 54 HZ1 LYS 54 8.185 18.856 -6.281 465 HZ2 LYS 54 HZ2 LYS 54 8.394 17.702 -7.513 466 HZ3 LYS 54 HZ3 LYS 54 9.737 18.315 -6.689 467 H ASN 55 H ASN 55 4.683 13.584 -8.218 468 HA ASN 55 HA ASN 55 7.218 12.676 -9.357 469 HB2 ASN 55 HB2 ASN 55 5.043 11.226 -7.848 470 HB3 ASN 55 HB3 ASN 55 6.403 10.397 -8.597 471 HD21 ASN 55 HD21 ASN 55 5.769 10.370 -5.845 472 HD22 ASN 55 HD22 ASN 55 7.073 11.132 -4.999 473 H VAL 56 H VAL 56 4.126 13.299 -10.377 474 HA VAL 56 HA VAL 56 4.124 11.176 -12.400 475 HB VAL 56 HB VAL 56 1.914 13.120 -11.691 476 HG11 VAL 56 HG11 VAL 56 1.861 10.616 -13.370 477 HG12 VAL 56 HG12 VAL 56 1.751 12.269 -13.974 478 HG13 VAL 56 HG13 VAL 56 0.467 11.612 -12.958 479 HG21 VAL 56 HG21 VAL 56 0.855 11.202 -10.564 480 HG22 VAL 56 HG22 VAL 56 2.384 11.662 -9.813 481 HG23 VAL 56 HG23 VAL 56 2.309 10.246 -10.864 482 H ARG 57 H ARG 57 3.792 11.713 -14.616 483 HA ARG 57 HA ARG 57 5.462 13.715 -15.571 484 HB2 ARG 57 HB2 ARG 57 4.911 11.737 -16.870 485 HB3 ARG 57 HB3 ARG 57 3.234 12.251 -16.994 486 HG2 ARG 57 HG2 ARG 57 4.016 14.264 -18.239 487 HG3 ARG 57 HG3 ARG 57 5.639 13.568 -18.232 488 HD2 ARG 57 HD2 ARG 57 4.867 11.645 -19.467 489 HD3 ARG 57 HD3 ARG 57 3.200 12.216 -19.375 490 HE ARG 57 HE ARG 57 5.354 13.371 -21.015 491 HH11 ARG 57 HH11 ARG 57 1.973 13.213 -20.097 492 HH12 ARG 57 HH12 ARG 57 1.428 14.150 -21.460 493 HH21 ARG 57 HH21 ARG 57 4.636 14.567 -22.832 494 HH22 ARG 57 HH22 ARG 57 2.945 14.900 -23.027 495 H ARG 58 H ARG 58 1.888 13.657 -15.987 496 HA ARG 58 HA ARG 58 1.919 16.582 -15.735 497 HB2 ARG 58 HB2 ARG 58 0.893 15.003 -18.073 498 HB3 ARG 58 HB3 ARG 58 0.224 16.583 -17.687 499 HG2 ARG 58 HG2 ARG 58 3.117 15.995 -18.284 500 HG3 ARG 58 HG3 ARG 58 1.956 16.734 -19.391 501 HD2 ARG 58 HD2 ARG 58 1.662 18.598 -17.837 502 HD3 ARG 58 HD3 ARG 58 2.815 17.861 -16.728 503 HE ARG 58 HE ARG 58 3.808 18.395 -19.396 504 HH11 ARG 58 HH11 ARG 58 3.472 19.525 -16.098 505 HH12 ARG 58 HH12 ARG 58 4.768 20.680 -16.215 506 HH21 ARG 58 HH21 ARG 58 5.526 19.909 -19.557 507 HH22 ARG 58 HH22 ARG 58 5.921 20.909 -18.194 508 H ALA 59 H ALA 59 -0.456 14.010 -16.486 509 HA ALA 59 HA ALA 59 -2.041 14.569 -14.184 510 HB1 ALA 59 HB1 ALA 59 -3.927 15.666 -15.235 511 HB2 ALA 59 HB2 ALA 59 -3.089 15.679 -16.787 512 HB3 ALA 59 HB3 ALA 59 -2.473 16.645 -15.444 513 H HIS 60 H HIS 60 -2.243 13.546 -17.581 514 HA HIS 60 HA HIS 60 -4.420 11.789 -17.266 515 HB2 HIS 60 HB2 HIS 60 -2.177 11.520 -19.281 516 HB3 HIS 60 HB3 HIS 60 -3.800 10.859 -19.416 517 HD1 HIS 60 HD1 HIS 60 -2.005 13.209 -21.052 518 HD2 HIS 60 HD2 HIS 60 -5.609 13.484 -18.989 519 HE1 HIS 60 HE1 HIS 60 -3.164 15.248 -21.975 520 HE2 HIS 60 HE2 HIS 60 -5.249 15.500 -20.576 521 H GLU 61 H GLU 61 -1.028 11.479 -16.701 522 HA GLU 61 HA GLU 61 -0.961 8.620 -16.605 523 HB2 GLU 61 HB2 GLU 61 1.072 10.515 -15.429 524 HB3 GLU 61 HB3 GLU 61 1.326 8.869 -15.984 525 HG2 GLU 61 HG2 GLU 61 2.292 10.196 -17.634 526 HG3 GLU 61 HG3 GLU 61 0.730 9.738 -18.308 527 H ARG 62 H ARG 62 -1.679 11.169 -14.402 528 HA ARG 62 HA ARG 62 -1.052 9.734 -11.997 529 HB2 ARG 62 HB2 ARG 62 -0.980 12.201 -12.132 530 HB3 ARG 62 HB3 ARG 62 -2.718 12.225 -12.398 531 HG2 ARG 62 HG2 ARG 62 -3.143 11.416 -10.199 532 HG3 ARG 62 HG3 ARG 62 -1.429 11.092 -9.927 533 HD2 ARG 62 HD2 ARG 62 -2.157 13.153 -8.817 534 HD3 ARG 62 HD3 ARG 62 -0.939 13.466 -10.051 535 HE ARG 62 HE ARG 62 -3.832 13.928 -10.461 536 HH11 ARG 62 HH11 ARG 62 -0.471 14.843 -10.931 537 HH12 ARG 62 HH12 ARG 62 -0.859 16.282 -11.814 538 HH21 ARG 62 HH21 ARG 62 -4.326 15.820 -11.615 539 HH22 ARG 62 HH22 ARG 62 -3.047 16.839 -12.210 540 H ASN 63 H ASN 63 -3.932 10.350 -13.916 541 HA ASN 63 HA ASN 63 -5.769 9.129 -12.123 542 HB2 ASN 63 HB2 ASN 63 -6.581 10.615 -13.862 543 HB3 ASN 63 HB3 ASN 63 -5.920 9.568 -15.115 544 HD21 ASN 63 HD21 ASN 63 -7.028 7.774 -15.739 545 HD22 ASN 63 HD22 ASN 63 -8.626 7.393 -15.181 546 H ARG 64 H ARG 64 -3.633 7.960 -14.600 547 HA ARG 64 HA ARG 64 -4.631 5.364 -14.942 548 HB2 ARG 64 HB2 ARG 64 -2.837 6.549 -16.294 549 HB3 ARG 64 HB3 ARG 64 -1.720 6.168 -14.994 550 HG2 ARG 64 HG2 ARG 64 -1.425 4.555 -16.711 551 HG3 ARG 64 HG3 ARG 64 -2.233 3.758 -15.357 552 HD2 ARG 64 HD2 ARG 64 -4.340 3.831 -16.465 553 HD3 ARG 64 HD3 ARG 64 -3.711 4.897 -17.720 554 HE ARG 64 HE ARG 64 -2.344 2.376 -17.583 555 HH11 ARG 64 HH11 ARG 64 -5.154 4.017 -18.886 556 HH12 ARG 64 HH12 ARG 64 -5.301 2.953 -20.245 557 HH21 ARG 64 HH21 ARG 64 -2.530 0.974 -19.390 558 HH22 ARG 64 HH22 ARG 64 -3.818 1.222 -20.532 559 H ILE 65 H ILE 65 -2.472 6.769 -12.536 560 HA ILE 65 HA ILE 65 -1.766 4.346 -11.242 561 HB ILE 65 HB ILE 65 -1.848 7.128 -10.063 562 HG12 ILE 65 HG12 ILE 65 -0.477 7.125 -12.069 563 HG13 ILE 65 HG13 ILE 65 0.563 7.212 -10.653 564 HG21 ILE 65 HG21 ILE 65 -0.302 4.678 -9.225 565 HG22 ILE 65 HG22 ILE 65 -1.672 5.387 -8.371 566 HG23 ILE 65 HG23 ILE 65 -0.158 6.282 -8.505 567 HD11 ILE 65 HD11 ILE 65 1.011 4.806 -10.863 568 HD12 ILE 65 HD12 ILE 65 1.499 5.716 -12.293 569 HD13 ILE 65 HD13 ILE 65 0.014 4.767 -12.317 570 H LYS 66 H LYS 66 -4.325 6.727 -10.730 571 HA LYS 66 HA LYS 66 -5.407 5.574 -8.386 572 HB2 LYS 66 HB2 LYS 66 -6.662 7.323 -10.506 573 HB3 LYS 66 HB3 LYS 66 -7.484 6.851 -9.024 574 HG2 LYS 66 HG2 LYS 66 -5.939 8.047 -7.679 575 HG3 LYS 66 HG3 LYS 66 -4.856 8.309 -9.047 576 HD2 LYS 66 HD2 LYS 66 -6.115 10.337 -8.527 577 HD3 LYS 66 HD3 LYS 66 -6.542 9.719 -10.120 578 HE2 LYS 66 HE2 LYS 66 -8.565 10.366 -9.074 579 HE3 LYS 66 HE3 LYS 66 -8.519 8.606 -9.047 580 HZ1 LYS 66 HZ1 LYS 66 -9.265 9.452 -6.939 581 HZ2 LYS 66 HZ2 LYS 66 -7.881 10.415 -6.775 582 HZ3 LYS 66 HZ3 LYS 66 -7.747 8.725 -6.732 583 H ARG 67 H ARG 67 -5.762 4.850 -11.768 584 HA ARG 67 HA ARG 67 -8.002 3.099 -11.463 585 HB2 ARG 67 HB2 ARG 67 -5.984 3.522 -13.655 586 HB3 ARG 67 HB3 ARG 67 -7.151 2.211 -13.732 587 HG2 ARG 67 HG2 ARG 67 -7.742 5.158 -13.621 588 HG3 ARG 67 HG3 ARG 67 -7.976 4.072 -14.993 589 HD2 ARG 67 HD2 ARG 67 -9.491 4.191 -12.404 590 HD3 ARG 67 HD3 ARG 67 -10.106 4.330 -14.049 591 HE ARG 67 HE ARG 67 -9.034 1.813 -13.918 592 HH11 ARG 67 HH11 ARG 67 -11.535 3.579 -12.224 593 HH12 ARG 67 HH12 ARG 67 -12.375 2.150 -11.713 594 HH21 ARG 67 HH21 ARG 67 -10.141 -0.087 -13.243 595 HH22 ARG 67 HH22 ARG 67 -11.599 0.078 -12.293 596 H LEU 68 H LEU 68 -4.516 2.572 -11.903 597 HA LEU 68 HA LEU 68 -4.506 -0.199 -11.880 598 HB2 LEU 68 HB2 LEU 68 -2.602 1.377 -12.407 599 HB3 LEU 68 HB3 LEU 68 -2.372 1.574 -10.685 600 HG LEU 68 HG LEU 68 -0.799 -0.023 -11.880 601 HD11 LEU 68 HD11 LEU 68 -0.975 -0.019 -9.466 602 HD12 LEU 68 HD12 LEU 68 -0.809 -1.670 -10.064 603 HD13 LEU 68 HD13 LEU 68 -2.385 -1.074 -9.545 604 HD21 LEU 68 HD21 LEU 68 -2.442 -1.116 -13.299 605 HD22 LEU 68 HD22 LEU 68 -3.253 -1.771 -11.876 606 HD23 LEU 68 HD23 LEU 68 -1.614 -2.289 -12.274 607 H THR 69 H THR 69 -4.141 2.019 -9.130 608 HA THR 69 HA THR 69 -3.703 0.034 -7.200 609 HB THR 69 HB THR 69 -4.457 1.872 -5.582 610 HG1 THR 69 HG1 THR 69 -4.222 3.593 -7.809 611 HG21 THR 69 HG21 THR 69 -2.411 3.167 -5.953 612 HG22 THR 69 HG22 THR 69 -2.250 2.458 -7.560 613 HG23 THR 69 HG23 THR 69 -2.111 1.438 -6.128 614 H ARG 70 H ARG 70 -6.695 1.859 -7.921 615 HA ARG 70 HA ARG 70 -8.191 0.285 -6.041 616 HB2 ARG 70 HB2 ARG 70 -8.708 2.638 -7.732 617 HB3 ARG 70 HB3 ARG 70 -10.105 1.615 -7.419 618 HG2 ARG 70 HG2 ARG 70 -9.685 1.805 -5.003 619 HG3 ARG 70 HG3 ARG 70 -8.327 2.882 -5.344 620 HD2 ARG 70 HD2 ARG 70 -9.758 4.537 -6.257 621 HD3 ARG 70 HD3 ARG 70 -11.129 3.431 -6.287 622 HE ARG 70 HE ARG 70 -10.789 3.485 -3.719 623 HH11 ARG 70 HH11 ARG 70 -10.301 6.193 -5.900 624 HH12 ARG 70 HH12 ARG 70 -10.796 7.386 -4.729 625 HH21 ARG 70 HH21 ARG 70 -11.429 5.046 -2.183 626 HH22 ARG 70 HH22 ARG 70 -11.400 6.734 -2.602 627 H GLU 71 H GLU 71 -7.059 -0.706 -8.859 628 HA GLU 71 HA GLU 71 -9.499 -2.239 -9.454 629 HB2 GLU 71 HB2 GLU 71 -8.473 -0.900 -11.335 630 HB3 GLU 71 HB3 GLU 71 -7.080 -1.968 -11.242 631 HG2 GLU 71 HG2 GLU 71 -8.371 -3.851 -11.885 632 HG3 GLU 71 HG3 GLU 71 -9.879 -2.954 -11.709 633 H SER 72 H SER 72 -5.986 -2.506 -9.047 634 HA SER 72 HA SER 72 -5.942 -5.342 -9.052 635 HB2 SER 72 HB2 SER 72 -3.655 -5.002 -7.995 636 HB3 SER 72 HB3 SER 72 -3.902 -4.216 -9.555 637 HG SER 72 HG SER 72 -3.944 -2.280 -8.600 638 H PHE 73 H PHE 73 -5.887 -2.940 -6.429 639 HA PHE 73 HA PHE 73 -6.055 -4.981 -4.393 640 HB2 PHE 73 HB2 PHE 73 -6.129 -1.964 -4.258 641 HB3 PHE 73 HB3 PHE 73 -6.237 -3.004 -2.842 642 HD1 PHE 73 HD2 PHE 73 -4.310 -4.426 -2.213 643 HD2 PHE 73 HD1 PHE 73 -4.052 -1.531 -5.322 644 HE1 PHE 73 HE2 PHE 73 -1.854 -4.519 -2.089 645 HE2 PHE 73 HE1 PHE 73 -1.594 -1.622 -5.207 646 HZ PHE 73 HZ PHE 73 -0.493 -3.117 -3.588 647 H ARG 74 H ARG 74 -8.253 -4.286 -6.479 648 HA ARG 74 HA ARG 74 -10.454 -4.230 -4.530 649 HB2 ARG 74 HB2 ARG 74 -10.456 -2.437 -6.294 650 HB3 ARG 74 HB3 ARG 74 -10.646 -3.704 -7.500 651 HG2 ARG 74 HG2 ARG 74 -12.760 -4.358 -6.532 652 HG3 ARG 74 HG3 ARG 74 -12.564 -3.170 -5.243 653 HD2 ARG 74 HD2 ARG 74 -12.484 -1.404 -7.035 654 HD3 ARG 74 HD3 ARG 74 -12.962 -2.657 -8.183 655 HE ARG 74 HE ARG 74 -14.905 -2.947 -6.468 656 HH11 ARG 74 HH11 ARG 74 -13.505 0.026 -7.678 657 HH12 ARG 74 HH12 ARG 74 -14.900 0.991 -7.296 658 HH21 ARG 74 HH21 ARG 74 -16.736 -1.682 -5.946 659 HH22 ARG 74 HH22 ARG 74 -16.725 0.027 -6.283 660 H LEU 75 H LEU 75 -8.989 -5.939 -7.201 661 HA LEU 75 HA LEU 75 -10.994 -7.942 -7.458 662 HB2 LEU 75 HB2 LEU 75 -9.303 -7.418 -9.202 663 HB3 LEU 75 HB3 LEU 75 -8.064 -8.102 -8.168 664 HG LEU 75 HG LEU 75 -9.188 -10.301 -8.298 665 HD11 LEU 75 HD11 LEU 75 -10.948 -10.646 -9.967 666 HD12 LEU 75 HD12 LEU 75 -11.001 -8.909 -10.268 667 HD13 LEU 75 HD13 LEU 75 -11.470 -9.545 -8.692 668 HD21 LEU 75 HD21 LEU 75 -8.546 -9.046 -10.963 669 HD22 LEU 75 HD22 LEU 75 -8.589 -10.776 -10.620 670 HD23 LEU 75 HD23 LEU 75 -7.381 -9.751 -9.840 671 H ARG 76 H ARG 76 -8.193 -7.509 -5.434 672 HA ARG 76 HA ARG 76 -8.849 -10.013 -4.034 673 HB2 ARG 76 HB2 ARG 76 -6.308 -8.375 -4.017 674 HB3 ARG 76 HB3 ARG 76 -6.582 -9.799 -3.024 675 HG2 ARG 76 HG2 ARG 76 -6.656 -9.815 -6.034 676 HG3 ARG 76 HG3 ARG 76 -5.216 -10.175 -5.084 677 HD2 ARG 76 HD2 ARG 76 -6.211 -12.256 -5.683 678 HD3 ARG 76 HD3 ARG 76 -6.514 -12.004 -3.966 679 HE ARG 76 HE ARG 76 -8.696 -11.043 -5.493 680 HH11 ARG 76 HH11 ARG 76 -7.200 -14.015 -4.417 681 HH12 ARG 76 HH12 ARG 76 -8.678 -14.929 -4.462 682 HH21 ARG 76 HH21 ARG 76 -10.649 -12.245 -5.564 683 HH22 ARG 76 HH22 ARG 76 -10.626 -13.922 -5.123 684 H GLN 77 H GLN 77 -9.174 -9.919 -1.765 685 HA GLN 77 HA GLN 77 -9.169 -7.631 -0.183 686 HB2 GLN 77 HB2 GLN 77 -10.758 -6.891 -2.061 687 HB3 GLN 77 HB3 GLN 77 -11.909 -8.033 -1.383 688 HG2 GLN 77 HG2 GLN 77 -12.413 -5.844 -0.567 689 HG3 GLN 77 HG3 GLN 77 -11.791 -6.819 0.764 690 HE21 GLN 77 HE21 GLN 77 -9.654 -5.552 -1.677 691 HE22 GLN 77 HE22 GLN 77 -8.902 -4.363 -0.677 692 H HIS 78 H HIS 78 -10.288 -10.766 -0.944 693 HA HIS 78 HA HIS 78 -11.706 -11.029 1.635 694 HB2 HIS 78 HB2 HIS 78 -11.839 -12.807 -0.816 695 HB3 HIS 78 HB3 HIS 78 -12.758 -13.035 0.665 696 HD1 HIS 78 HD1 HIS 78 -15.005 -12.004 0.726 697 HD2 HIS 78 HD2 HIS 78 -12.589 -10.325 -2.216 698 HE1 HIS 78 HE1 HIS 78 -16.501 -10.454 -0.584 699 HE2 HIS 78 HE2 HIS 78 -15.046 -9.543 -2.436 700 H GLU 79 H GLU 79 -9.255 -12.360 -0.425 701 HA GLU 79 HA GLU 79 -8.663 -14.651 1.144 702 HB2 GLU 79 HB2 GLU 79 -6.787 -14.947 -0.376 703 HB3 GLU 79 HB3 GLU 79 -8.239 -14.536 -1.273 704 HG2 GLU 79 HG2 GLU 79 -5.867 -12.782 -0.692 705 HG3 GLU 79 HG3 GLU 79 -6.427 -13.364 -2.256 706 H LEU 80 H LEU 80 -7.632 -11.343 1.233 707 HA LEU 80 HA LEU 80 -5.441 -11.964 3.041 708 HB2 LEU 80 HB2 LEU 80 -5.098 -9.482 3.053 709 HB3 LEU 80 HB3 LEU 80 -4.924 -10.250 1.490 710 HG LEU 80 HG LEU 80 -7.401 -9.497 1.130 711 HD11 LEU 80 HD11 LEU 80 -6.519 -7.533 3.242 712 HD12 LEU 80 HD12 LEU 80 -7.783 -8.747 3.435 713 HD13 LEU 80 HD13 LEU 80 -7.988 -7.438 2.271 714 HD21 LEU 80 HD21 LEU 80 -5.108 -7.539 1.126 715 HD22 LEU 80 HD22 LEU 80 -6.609 -7.372 0.216 716 HD23 LEU 80 HD23 LEU 80 -5.498 -8.690 -0.152 717 HA PRO 81 HA PRO 81 -7.906 -11.200 6.665 718 HB2 PRO 81 HB2 PRO 81 -5.543 -10.784 8.246 719 HB3 PRO 81 HB3 PRO 81 -6.533 -12.239 8.133 720 HG2 PRO 81 HG2 PRO 81 -3.947 -12.044 7.218 721 HG3 PRO 81 HG3 PRO 81 -5.136 -13.218 6.627 722 HD2 PRO 81 HD2 PRO 81 -4.269 -10.623 5.413 723 HD3 PRO 81 HD3 PRO 81 -4.636 -12.173 4.625 724 H ALA 82 H ALA 82 -7.306 -9.634 8.805 725 HA ALA 82 HA ALA 82 -7.908 -7.028 7.916 726 HB1 ALA 82 HB1 ALA 82 -6.872 -7.887 10.614 727 HB2 ALA 82 HB2 ALA 82 -8.565 -7.889 10.118 728 HB3 ALA 82 HB3 ALA 82 -7.684 -6.366 10.244 729 H MET 83 H MET 83 -6.546 -5.772 6.828 730 HA MET 83 HA MET 83 -3.936 -5.203 7.972 731 HB2 MET 83 HB2 MET 83 -3.438 -7.015 6.421 732 HB3 MET 83 HB3 MET 83 -4.293 -6.184 5.128 733 HG2 MET 83 HG2 MET 83 -2.639 -4.384 5.193 734 HG3 MET 83 HG3 MET 83 -1.788 -5.214 6.493 735 HE1 MET 83 HE1 MET 83 -0.504 -8.448 4.710 736 HE2 MET 83 HE2 MET 83 -2.003 -8.246 5.617 737 HE3 MET 83 HE3 MET 83 -0.512 -7.511 6.205 738 H ASP 84 H ASP 84 -4.104 -3.071 8.252 739 HA ASP 84 HA ASP 84 -5.260 -1.436 6.126 740 HB2 ASP 84 HB2 ASP 84 -4.907 0.447 7.790 741 HB3 ASP 84 HB3 ASP 84 -6.073 -0.782 8.258 742 H PHE 85 H PHE 85 -4.087 0.015 4.940 743 HA PHE 85 HA PHE 85 -1.255 0.333 5.386 744 HB2 PHE 85 HB2 PHE 85 -0.618 -0.627 3.190 745 HB3 PHE 85 HB3 PHE 85 -1.265 -1.836 4.289 746 HD1 PHE 85 HD2 PHE 85 -3.401 -2.896 3.860 747 HD2 PHE 85 HD1 PHE 85 -1.825 0.026 1.196 748 HE1 PHE 85 HE2 PHE 85 -5.019 -3.591 2.145 749 HE2 PHE 85 HE1 PHE 85 -3.443 -0.664 -0.525 750 HZ PHE 85 HZ PHE 85 -5.044 -2.476 -0.052 751 H VAL 86 H VAL 86 -0.254 1.633 3.605 752 HA VAL 86 HA VAL 86 -2.202 3.328 2.197 753 HB VAL 86 HB VAL 86 -1.435 4.554 4.179 754 HG11 VAL 86 HG11 VAL 86 0.729 3.470 4.497 755 HG12 VAL 86 HG12 VAL 86 0.895 5.224 4.448 756 HG13 VAL 86 HG13 VAL 86 1.343 4.259 3.043 757 HG21 VAL 86 HG21 VAL 86 -1.950 5.814 2.164 758 HG22 VAL 86 HG22 VAL 86 -0.283 5.642 1.615 759 HG23 VAL 86 HG23 VAL 86 -0.641 6.583 3.063 760 H VAL 87 H VAL 87 -1.571 3.985 0.149 761 HA VAL 87 HA VAL 87 0.861 2.666 -0.866 762 HB VAL 87 HB VAL 87 -1.639 3.415 -2.393 763 HG11 VAL 87 HG11 VAL 87 0.809 1.887 -3.258 764 HG12 VAL 87 HG12 VAL 87 0.341 3.502 -3.791 765 HG13 VAL 87 HG13 VAL 87 -0.652 2.109 -4.219 766 HG21 VAL 87 HG21 VAL 87 -2.035 1.562 -0.848 767 HG22 VAL 87 HG22 VAL 87 -0.651 0.700 -1.524 768 HG23 VAL 87 HG23 VAL 87 -2.070 1.015 -2.526 769 H VAL 88 H VAL 88 2.457 3.976 -1.461 770 HA VAL 88 HA VAL 88 1.783 6.757 -2.193 771 HB VAL 88 HB VAL 88 4.390 5.758 -1.028 772 HG11 VAL 88 HG11 VAL 88 3.410 8.564 -1.536 773 HG12 VAL 88 HG12 VAL 88 4.627 7.712 -2.485 774 HG13 VAL 88 HG13 VAL 88 4.949 8.117 -0.799 775 HG21 VAL 88 HG21 VAL 88 3.732 6.934 1.018 776 HG22 VAL 88 HG22 VAL 88 2.599 5.637 0.626 777 HG23 VAL 88 HG23 VAL 88 2.168 7.316 0.295 778 H ALA 89 H ALA 89 2.407 7.478 -4.147 779 HA ALA 89 HA ALA 89 3.736 5.569 -5.911 780 HB1 ALA 89 HB1 ALA 89 2.317 8.146 -6.571 781 HB2 ALA 89 HB2 ALA 89 1.611 6.532 -6.645 782 HB3 ALA 89 HB3 ALA 89 2.928 6.969 -7.733 783 H LYS 90 H LYS 90 5.782 5.751 -6.468 784 HA LYS 90 HA LYS 90 7.285 8.127 -5.725 785 HB2 LYS 90 HB2 LYS 90 8.251 5.572 -7.027 786 HB3 LYS 90 HB3 LYS 90 9.257 6.826 -6.318 787 HG2 LYS 90 HG2 LYS 90 7.260 5.214 -4.752 788 HG3 LYS 90 HG3 LYS 90 8.957 4.771 -4.927 789 HD2 LYS 90 HD2 LYS 90 9.597 6.924 -3.903 790 HD3 LYS 90 HD3 LYS 90 7.886 7.306 -3.684 791 HE2 LYS 90 HE2 LYS 90 7.604 5.400 -2.230 792 HE3 LYS 90 HE3 LYS 90 9.262 4.885 -2.532 793 HZ1 LYS 90 HZ1 LYS 90 10.048 6.894 -1.445 794 HZ2 LYS 90 HZ2 LYS 90 9.060 5.991 -0.407 795 HZ3 LYS 90 HZ3 LYS 90 8.450 7.391 -1.152 796 H LYS 91 H LYS 91 9.136 8.579 -7.487 797 HA LYS 91 HA LYS 91 7.693 9.525 -9.808 798 HB2 LYS 91 HB2 LYS 91 9.203 11.083 -8.781 799 HB3 LYS 91 HB3 LYS 91 10.531 9.933 -8.860 800 HG2 LYS 91 HG2 LYS 91 10.725 10.164 -11.199 801 HG3 LYS 91 HG3 LYS 91 9.179 11.005 -11.317 802 HD2 LYS 91 HD2 LYS 91 11.525 12.105 -9.785 803 HD3 LYS 91 HD3 LYS 91 11.243 12.456 -11.492 804 HE2 LYS 91 HE2 LYS 91 9.267 12.984 -9.279 805 HE3 LYS 91 HE3 LYS 91 10.371 14.188 -9.940 806 HZ1 LYS 91 HZ1 LYS 91 9.304 14.122 -12.016 807 HZ2 LYS 91 HZ2 LYS 91 8.043 14.165 -10.877 808 HZ3 LYS 91 HZ3 LYS 91 8.447 12.708 -11.643 809 H GLY 92 H GLY 92 7.704 8.634 -11.756 810 HA2 GLY 92 HA2 GLY 92 8.961 7.564 -13.558 811 HA3 GLY 92 HA3 GLY 92 9.727 6.560 -12.333 812 H VAL 93 H VAL 93 6.824 6.601 -11.134 813 HA VAL 93 HA VAL 93 6.113 4.022 -12.028 814 HB VAL 93 HB VAL 93 5.506 4.952 -9.803 815 HG11 VAL 93 HG11 VAL 93 3.459 6.546 -11.343 816 HG12 VAL 93 HG12 VAL 93 4.848 7.195 -10.473 817 HG13 VAL 93 HG13 VAL 93 3.544 6.405 -9.588 818 HG21 VAL 93 HG21 VAL 93 3.251 3.977 -9.697 819 HG22 VAL 93 HG22 VAL 93 4.377 2.968 -10.605 820 HG23 VAL 93 HG23 VAL 93 3.191 3.957 -11.460 821 H ALA 94 H ALA 94 5.475 7.144 -13.271 822 HA ALA 94 HA ALA 94 3.060 6.393 -14.691 823 HB1 ALA 94 HB1 ALA 94 3.181 8.601 -13.699 824 HB2 ALA 94 HB2 ALA 94 3.071 8.730 -15.454 825 HB3 ALA 94 HB3 ALA 94 4.620 8.971 -14.649 826 H ASP 95 H ASP 95 5.969 5.414 -15.268 827 HA ASP 95 HA ASP 95 5.895 6.013 -18.154 828 HB2 ASP 95 HB2 ASP 95 7.925 6.860 -17.052 829 HB3 ASP 95 HB3 ASP 95 8.288 5.240 -16.466 830 H LEU 96 H LEU 96 5.310 3.656 -15.886 831 HA LEU 96 HA LEU 96 6.307 1.381 -17.337 832 HB2 LEU 96 HB2 LEU 96 4.363 1.546 -15.032 833 HB3 LEU 96 HB3 LEU 96 5.048 0.062 -15.668 834 HG LEU 96 HG LEU 96 6.598 2.289 -14.340 835 HD11 LEU 96 HD11 LEU 96 5.252 1.012 -12.767 836 HD12 LEU 96 HD12 LEU 96 6.968 0.661 -12.558 837 HD13 LEU 96 HD13 LEU 96 5.928 -0.492 -13.394 838 HD21 LEU 96 HD21 LEU 96 8.507 0.770 -14.472 839 HD22 LEU 96 HD22 LEU 96 7.909 1.187 -16.077 840 HD23 LEU 96 HD23 LEU 96 7.529 -0.385 -15.376 841 H ASP 97 H ASP 97 5.271 0.148 -18.797 842 HA ASP 97 HA ASP 97 2.719 1.115 -19.788 843 HB2 ASP 97 HB2 ASP 97 3.190 0.010 -21.771 844 HB3 ASP 97 HB3 ASP 97 4.813 0.369 -21.193 845 H ASN 98 H ASN 98 1.327 -0.909 -20.692 846 HA ASN 98 HA ASN 98 0.111 -1.992 -18.410 847 HB2 ASN 98 HB2 ASN 98 -0.175 -2.688 -21.330 848 HB3 ASN 98 HB3 ASN 98 -1.142 -3.449 -20.069 849 HD21 ASN 98 HD21 ASN 98 -3.074 -2.651 -20.760 850 HD22 ASN 98 HD22 ASN 98 -3.494 -0.969 -20.669 851 H ARG 99 H ARG 99 2.463 -3.369 -20.649 852 HA ARG 99 HA ARG 99 2.415 -6.012 -19.667 853 HB2 ARG 99 HB2 ARG 99 3.537 -5.488 -21.748 854 HB3 ARG 99 HB3 ARG 99 4.647 -4.407 -20.923 855 HG2 ARG 99 HG2 ARG 99 5.897 -6.325 -21.324 856 HG3 ARG 99 HG3 ARG 99 5.426 -6.469 -19.631 857 HD2 ARG 99 HD2 ARG 99 3.862 -7.754 -21.853 858 HD3 ARG 99 HD3 ARG 99 5.237 -8.551 -21.096 859 HE ARG 99 HE ARG 99 3.918 -8.261 -18.954 860 HH11 ARG 99 HH11 ARG 99 2.379 -8.559 -22.095 861 HH12 ARG 99 HH12 ARG 99 0.940 -9.304 -21.456 862 HH21 ARG 99 HH21 ARG 99 2.067 -9.283 -18.119 863 HH22 ARG 99 HH22 ARG 99 0.759 -9.719 -19.188 864 H ALA 100 H ALA 100 4.467 -3.234 -18.852 865 HA ALA 100 HA ALA 100 6.009 -4.453 -16.874 866 HB1 ALA 100 HB1 ALA 100 6.551 -2.292 -17.888 867 HB2 ALA 100 HB2 ALA 100 6.549 -2.207 -16.127 868 HB3 ALA 100 HB3 ALA 100 5.189 -1.558 -17.042 869 H LEU 101 H LEU 101 2.986 -2.565 -16.510 870 HA LEU 101 HA LEU 101 2.980 -2.868 -13.679 871 HB2 LEU 101 HB2 LEU 101 0.705 -1.938 -13.750 872 HB3 LEU 101 HB3 LEU 101 1.861 -0.977 -14.643 873 HG LEU 101 HG LEU 101 0.939 -2.278 -16.716 874 HD11 LEU 101 HD11 LEU 101 -1.372 -2.522 -14.793 875 HD12 LEU 101 HD12 LEU 101 -0.440 -3.859 -15.467 876 HD13 LEU 101 HD13 LEU 101 -1.425 -2.850 -16.526 877 HD21 LEU 101 HD21 LEU 101 0.760 0.129 -16.333 878 HD22 LEU 101 HD22 LEU 101 -0.662 -0.138 -15.324 879 HD23 LEU 101 HD23 LEU 101 -0.714 -0.526 -17.045 880 H SER 102 H SER 102 1.799 -4.834 -16.285 881 HA SER 102 HA SER 102 0.065 -6.439 -14.687 882 HB2 SER 102 HB2 SER 102 -0.106 -6.318 -17.164 883 HB3 SER 102 HB3 SER 102 1.442 -7.149 -17.293 884 HG SER 102 HG SER 102 -0.346 -8.583 -17.492 885 H GLU 103 H GLU 103 3.466 -6.577 -15.596 886 HA GLU 103 HA GLU 103 3.951 -9.088 -14.310 887 HB2 GLU 103 HB2 GLU 103 5.943 -6.913 -14.991 888 HB3 GLU 103 HB3 GLU 103 6.310 -8.597 -14.640 889 HG2 GLU 103 HG2 GLU 103 4.851 -7.514 -17.037 890 HG3 GLU 103 HG3 GLU 103 6.460 -8.232 -16.998 891 H ALA 104 H ALA 104 4.300 -5.688 -13.450 892 HA ALA 104 HA ALA 104 5.482 -6.028 -10.922 893 HB1 ALA 104 HB1 ALA 104 3.685 -3.800 -11.874 894 HB2 ALA 104 HB2 ALA 104 5.434 -3.880 -12.085 895 HB3 ALA 104 HB3 ALA 104 4.746 -3.743 -10.467 896 H LEU 105 H LEU 105 2.230 -6.440 -12.014 897 HA LEU 105 HA LEU 105 0.814 -6.129 -9.632 898 HB2 LEU 105 HB2 LEU 105 -0.121 -6.430 -11.953 899 HB3 LEU 105 HB3 LEU 105 0.229 -8.140 -11.807 900 HG LEU 105 HG LEU 105 -1.549 -6.792 -9.797 901 HD11 LEU 105 HD11 LEU 105 -2.388 -7.879 -12.481 902 HD12 LEU 105 HD12 LEU 105 -2.442 -6.189 -11.981 903 HD13 LEU 105 HD13 LEU 105 -3.475 -7.377 -11.186 904 HD21 LEU 105 HD21 LEU 105 -0.775 -9.081 -9.356 905 HD22 LEU 105 HD22 LEU 105 -1.444 -9.599 -10.905 906 HD23 LEU 105 HD23 LEU 105 -2.517 -9.023 -9.628 907 H GLU 106 H GLU 106 2.485 -8.985 -10.949 908 HA GLU 106 HA GLU 106 1.621 -10.654 -8.788 909 HB2 GLU 106 HB2 GLU 106 2.843 -12.403 -9.787 910 HB3 GLU 106 HB3 GLU 106 2.224 -11.453 -11.126 911 HG2 GLU 106 HG2 GLU 106 4.293 -11.529 -11.927 912 HG3 GLU 106 HG3 GLU 106 4.687 -10.333 -10.694 913 H LYS 107 H LYS 107 4.178 -8.423 -9.268 914 HA LYS 107 HA LYS 107 6.055 -9.508 -7.442 915 HB2 LYS 107 HB2 LYS 107 5.727 -6.556 -7.968 916 HB3 LYS 107 HB3 LYS 107 7.185 -7.421 -7.512 917 HG2 LYS 107 HG2 LYS 107 5.805 -7.371 -10.174 918 HG3 LYS 107 HG3 LYS 107 7.443 -6.860 -9.777 919 HD2 LYS 107 HD2 LYS 107 6.401 -9.689 -9.762 920 HD3 LYS 107 HD3 LYS 107 7.450 -8.973 -10.985 921 HE2 LYS 107 HE2 LYS 107 9.222 -8.714 -9.379 922 HE3 LYS 107 HE3 LYS 107 8.171 -9.272 -8.074 923 HZ1 LYS 107 HZ1 LYS 107 9.121 -10.862 -10.395 924 HZ2 LYS 107 HZ2 LYS 107 7.984 -11.409 -9.266 925 HZ3 LYS 107 HZ3 LYS 107 9.571 -11.068 -8.774 926 H LEU 108 H LEU 108 3.642 -6.913 -7.095 927 HA LEU 108 HA LEU 108 4.079 -6.694 -4.288 928 HB2 LEU 108 HB2 LEU 108 2.089 -5.204 -4.329 929 HB3 LEU 108 HB3 LEU 108 3.361 -4.744 -5.437 930 HG LEU 108 HG LEU 108 1.884 -6.099 -7.169 931 HD11 LEU 108 HD11 LEU 108 0.237 -6.879 -5.569 932 HD12 LEU 108 HD12 LEU 108 -0.508 -5.778 -6.729 933 HD13 LEU 108 HD13 LEU 108 -0.124 -5.217 -5.102 934 HD21 LEU 108 HD21 LEU 108 0.806 -3.998 -7.788 935 HD22 LEU 108 HD22 LEU 108 2.495 -3.747 -7.351 936 HD23 LEU 108 HD23 LEU 108 1.217 -3.319 -6.215 937 H TRP 109 H TRP 109 1.863 -8.514 -6.285 938 HA TRP 109 HA TRP 109 0.033 -9.229 -4.261 939 HB2 TRP 109 HB2 TRP 109 -0.632 -9.562 -6.527 940 HB3 TRP 109 HB3 TRP 109 0.784 -10.550 -6.870 941 HD1 TRP 109 HD1 TRP 109 0.100 -12.982 -7.176 942 HE1 TRP 109 HE1 TRP 109 -1.593 -14.599 -6.093 943 HE3 TRP 109 HE3 TRP 109 -2.061 -9.765 -3.827 944 HZ2 TRP 109 HZ2 TRP 109 -3.568 -14.508 -4.077 945 HZ3 TRP 109 HZ3 TRP 109 -3.839 -10.617 -2.356 946 HH2 TRP 109 HH2 TRP 109 -4.574 -12.936 -2.482 947 H ARG 110 H ARG 110 2.723 -11.116 -5.661 948 HA ARG 110 HA ARG 110 2.460 -13.210 -3.772 949 HB2 ARG 110 HB2 ARG 110 4.823 -12.495 -5.523 950 HB3 ARG 110 HB3 ARG 110 4.591 -14.029 -4.690 951 HG2 ARG 110 HG2 ARG 110 2.681 -14.545 -6.023 952 HG3 ARG 110 HG3 ARG 110 2.681 -12.934 -6.741 953 HD2 ARG 110 HD2 ARG 110 3.625 -14.402 -8.347 954 HD3 ARG 110 HD3 ARG 110 4.950 -13.458 -7.672 955 HE ARG 110 HE ARG 110 4.579 -15.958 -6.322 956 HH11 ARG 110 HH11 ARG 110 6.001 -14.448 -9.157 957 HH12 ARG 110 HH12 ARG 110 7.220 -15.678 -9.356 958 HH21 ARG 110 HH21 ARG 110 6.158 -17.600 -6.620 959 HH22 ARG 110 HH22 ARG 110 7.307 -17.469 -7.921 960 H ARG 111 H ARG 111 4.103 -10.172 -3.722 961 HA ARG 111 HA ARG 111 5.910 -10.720 -1.600 962 HB2 ARG 111 HB2 ARG 111 5.881 -8.713 -3.214 963 HB3 ARG 111 HB3 ARG 111 4.669 -8.030 -2.139 964 HG2 ARG 111 HG2 ARG 111 6.694 -7.093 -1.444 965 HG3 ARG 111 HG3 ARG 111 6.364 -8.370 -0.271 966 HD2 ARG 111 HD2 ARG 111 8.682 -8.476 -0.892 967 HD3 ARG 111 HD3 ARG 111 7.851 -9.874 -1.575 968 HE ARG 111 HE ARG 111 8.469 -7.467 -3.163 969 HH11 ARG 111 HH11 ARG 111 8.425 -10.944 -2.768 970 HH12 ARG 111 HH12 ARG 111 9.015 -11.255 -4.377 971 HH21 ARG 111 HH21 ARG 111 9.251 -7.857 -5.254 972 HH22 ARG 111 HH22 ARG 111 9.511 -9.498 -5.787 973 H HIS 112 H HIS 112 2.571 -9.571 -1.744 974 HA HIS 112 HA HIS 112 2.451 -9.261 1.138 975 HB2 HIS 112 HB2 HIS 112 0.516 -8.751 -1.094 976 HB3 HIS 112 HB3 HIS 112 -0.061 -8.847 0.567 977 HD1 HIS 112 HD1 HIS 112 0.075 -6.734 1.898 978 HD2 HIS 112 HD2 HIS 112 2.545 -6.657 -1.447 979 HE1 HIS 112 HE1 HIS 112 1.052 -4.418 1.829 980 HE2 HIS 112 HE2 HIS 112 2.691 -4.466 -0.087 981 H CYS 113 H CYS 113 1.752 -11.669 -1.217 982 HA CYS 113 HA CYS 113 -0.161 -13.202 0.104 983 HB2 CYS 113 HB2 CYS 113 0.632 -13.592 -2.219 984 HB3 CYS 113 HB3 CYS 113 2.151 -14.204 -1.578 985 HG CYS 113 HG CYS 113 0.410 -16.277 -2.525 986 H ARG 114 H ARG 114 3.379 -13.289 0.350 987 HA ARG 114 HA ARG 114 3.251 -15.235 2.499 988 HB2 ARG 114 HB2 ARG 114 5.602 -13.853 1.192 989 HB3 ARG 114 HB3 ARG 114 5.737 -15.093 2.432 990 HG2 ARG 114 HG2 ARG 114 4.464 -15.468 -0.273 991 HG3 ARG 114 HG3 ARG 114 6.091 -15.984 0.179 992 HD2 ARG 114 HD2 ARG 114 5.237 -17.539 1.769 993 HD3 ARG 114 HD3 ARG 114 3.603 -16.897 1.607 994 HE ARG 114 HE ARG 114 4.359 -17.755 -0.916 995 HH11 ARG 114 HH11 ARG 114 4.019 -19.237 2.243 996 HH12 ARG 114 HH12 ARG 114 3.442 -20.750 1.609 997 HH21 ARG 114 HH21 ARG 114 3.639 -19.757 -1.739 998 HH22 ARG 114 HH22 ARG 114 3.262 -21.060 -0.648 999 H LEU 115 H LEU 115 2.616 -12.098 2.441 1000 HA LEU 115 HA LEU 115 4.011 -11.478 4.953 1001 HB2 LEU 115 HB2 LEU 115 4.257 -9.829 3.141 1002 HB3 LEU 115 HB3 LEU 115 2.513 -9.651 3.068 1003 HG LEU 115 HG LEU 115 2.549 -8.796 5.408 1004 HD11 LEU 115 HD11 LEU 115 5.538 -8.852 5.018 1005 HD12 LEU 115 HD12 LEU 115 4.612 -9.822 6.164 1006 HD13 LEU 115 HD13 LEU 115 4.689 -8.071 6.354 1007 HD21 LEU 115 HD21 LEU 115 3.468 -6.595 4.836 1008 HD22 LEU 115 HD22 LEU 115 2.471 -7.255 3.539 1009 HD23 LEU 115 HD23 LEU 115 4.229 -7.294 3.407 1010 H ALA 116 H ALA 116 0.822 -11.438 3.412 1011 HA ALA 116 HA ALA 116 -0.625 -10.702 5.732 1012 HB1 ALA 116 HB1 ALA 116 -1.590 -12.172 3.283 1013 HB2 ALA 116 HB2 ALA 116 -1.500 -10.421 3.461 1014 HB3 ALA 116 HB3 ALA 116 -2.603 -11.354 4.475 1015 H ARG 117 H ARG 117 0.432 -13.761 4.410 1016 HA ARG 117 HA ARG 117 -0.637 -15.070 6.815 1017 HB2 ARG 117 HB2 ARG 117 -0.232 -16.320 4.088 1018 HB3 ARG 117 HB3 ARG 117 -0.819 -17.151 5.523 1019 HG2 ARG 117 HG2 ARG 117 -2.774 -15.674 5.569 1020 HG3 ARG 117 HG3 ARG 117 -2.193 -14.874 4.109 1021 HD2 ARG 117 HD2 ARG 117 -2.315 -17.048 2.926 1022 HD3 ARG 117 HD3 ARG 117 -3.002 -17.767 4.383 1023 HE ARG 117 HE ARG 117 -4.361 -15.463 3.195 1024 HH11 ARG 117 HH11 ARG 117 -4.307 -18.912 3.828 1025 HH12 ARG 117 HH12 ARG 117 -5.987 -19.131 3.447 1026 HH21 ARG 117 HH21 ARG 117 -6.564 -15.755 2.692 1027 HH22 ARG 117 HH22 ARG 117 -7.269 -17.347 2.783 1028 H GLY 118 H GLY 118 1.239 -14.629 7.953 1029 HA2 GLY 118 HA2 GLY 118 3.253 -16.569 7.901 1030 HA3 GLY 118 HA3 GLY 118 3.857 -15.145 7.060 1031 H SER 119 H SER 119 5.442 -15.080 8.826 1032 HA SER 119 HA SER 119 4.303 -13.856 11.244 1033 HB2 SER 119 HB2 SER 119 6.755 -15.623 11.058 1034 HB3 SER 119 HB3 SER 119 6.156 -14.847 12.526 1035 HG SER 119 HG SER 119 5.528 -17.133 12.092
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