NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594461 | 2n3z | 25662 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 5.725 15.015 -4.318 2 H2 MET 1 2H MET 1 6.436 14.078 -5.527 3 H3 MET 1 3H MET 1 5.325 13.377 -4.463 4 HA MET 1 HA MET 1 3.553 14.695 -5.310 5 HB2 MET 1 2HB MET 1 4.961 16.689 -5.867 6 HB3 MET 1 3HB MET 1 5.639 15.821 -7.236 7 HG2 MET 1 2HG MET 1 3.952 17.391 -8.003 8 HG3 MET 1 3HG MET 1 3.376 15.744 -8.271 9 HE1 MET 1 3HE MET 1 1.430 18.321 -8.342 10 HE2 MET 1 1HE MET 1 0.053 17.678 -7.451 11 HE3 MET 1 2HE MET 1 0.892 16.663 -8.626 12 H GLY 2 H GLY 2 2.514 12.917 -6.092 13 HA2 GLY 2 2HA GLY 2 2.654 11.884 -8.648 14 HA3 GLY 2 3HA GLY 2 3.805 10.924 -7.720 15 H ARG 3 H ARG 3 2.430 9.095 -8.179 16 HA ARG 3 HA ARG 3 -0.287 8.928 -7.357 17 HB2 ARG 3 2HB ARG 3 1.743 6.733 -7.926 18 HB3 ARG 3 3HB ARG 3 0.024 6.442 -7.666 19 HG2 ARG 3 2HG ARG 3 -0.524 7.736 -9.679 20 HG3 ARG 3 3HG ARG 3 1.186 8.096 -9.936 21 HD2 ARG 3 2HD ARG 3 1.668 5.738 -10.295 22 HD3 ARG 3 3HD ARG 3 0.017 5.292 -9.877 23 HE ARG 3 HE ARG 3 0.672 6.905 -12.274 24 HH11 ARG 3 1HH1 ARG 3 -1.030 4.195 -10.799 25 HH12 ARG 3 2HH1 ARG 3 -1.847 3.751 -12.268 26 HH21 ARG 3 1HH2 ARG 3 -0.358 6.278 -14.207 27 HH22 ARG 3 2HH2 ARG 3 -1.461 4.937 -14.211 28 H LEU 4 H LEU 4 -1.215 7.994 -5.509 29 HA LEU 4 HA LEU 4 0.575 6.996 -3.378 30 HB2 LEU 4 2HB LEU 4 -0.879 8.945 -2.776 31 HB3 LEU 4 3HB LEU 4 -2.289 7.970 -3.142 32 HG LEU 4 HG LEU 4 -1.664 6.398 -1.273 33 HD11 LEU 4 1HD1 LEU 4 0.504 8.427 -0.650 34 HD12 LEU 4 2HD1 LEU 4 0.754 6.774 -1.217 35 HD13 LEU 4 3HD1 LEU 4 0.038 7.059 0.366 36 HD21 LEU 4 3HD2 LEU 4 -2.326 7.874 0.558 37 HD22 LEU 4 1HD2 LEU 4 -3.274 8.204 -0.891 38 HD23 LEU 4 2HD2 LEU 4 -1.959 9.290 -0.430 39 H VAL 5 H VAL 5 0.690 4.837 -3.417 40 HA VAL 5 HA VAL 5 -1.610 3.217 -4.323 41 HB VAL 5 HB VAL 5 1.312 2.429 -3.963 42 HG11 VAL 5 1HG1 VAL 5 -1.002 0.741 -4.974 43 HG12 VAL 5 2HG1 VAL 5 -0.145 0.511 -3.449 44 HG13 VAL 5 3HG1 VAL 5 0.696 0.254 -4.980 45 HG21 VAL 5 3HG2 VAL 5 -0.321 2.735 -6.502 46 HG22 VAL 5 1HG2 VAL 5 1.363 2.216 -6.413 47 HG23 VAL 5 2HG2 VAL 5 0.918 3.859 -5.940 48 H VAL 6 H VAL 6 -2.859 2.446 -2.757 49 HA VAL 6 HA VAL 6 -1.893 2.057 -0.019 50 HB VAL 6 HB VAL 6 -4.702 1.743 -1.166 51 HG11 VAL 6 1HG1 VAL 6 -5.456 1.805 1.198 52 HG12 VAL 6 2HG1 VAL 6 -3.771 1.840 1.722 53 HG13 VAL 6 3HG1 VAL 6 -4.402 0.423 0.878 54 HG21 VAL 6 3HG2 VAL 6 -3.963 4.076 -1.384 55 HG22 VAL 6 1HG2 VAL 6 -3.505 4.108 0.323 56 HG23 VAL 6 2HG2 VAL 6 -5.202 3.943 -0.131 57 H VAL 7 H VAL 7 -0.981 0.096 0.337 58 HA VAL 7 HA VAL 7 -1.837 -2.257 -1.237 59 HB VAL 7 HB VAL 7 0.616 -1.926 0.534 60 HG11 VAL 7 1HG1 VAL 7 -0.082 -4.115 -1.445 61 HG12 VAL 7 2HG1 VAL 7 -0.048 -4.274 0.311 62 HG13 VAL 7 3HG1 VAL 7 1.450 -3.977 -0.577 63 HG21 VAL 7 3HG2 VAL 7 0.735 -0.400 -1.399 64 HG22 VAL 7 1HG2 VAL 7 0.448 -1.759 -2.493 65 HG23 VAL 7 2HG2 VAL 7 1.930 -1.692 -1.533 66 H VAL 8 H VAL 8 -2.998 -3.800 -0.264 67 HA VAL 8 HA VAL 8 -3.264 -3.882 2.688 68 HB VAL 8 HB VAL 8 -5.654 -4.496 2.419 69 HG11 VAL 8 1HG1 VAL 8 -4.993 -1.850 1.070 70 HG12 VAL 8 2HG1 VAL 8 -5.133 -2.130 2.808 71 HG13 VAL 8 3HG1 VAL 8 -6.555 -2.283 1.775 72 HG21 VAL 8 3HG2 VAL 8 -6.804 -4.271 0.241 73 HG22 VAL 8 1HG2 VAL 8 -5.559 -5.516 0.179 74 HG23 VAL 8 2HG2 VAL 8 -5.263 -3.936 -0.548 75 H THR 9 H THR 9 -3.692 -6.001 3.518 76 HA THR 9 HA THR 9 -2.763 -8.190 1.768 77 HB THR 9 HB THR 9 -2.546 -9.465 3.956 78 HG1 THR 9 HG1 THR 9 -2.420 -7.416 5.629 79 HG21 THR 9 3HG2 THR 9 -0.505 -8.288 4.687 80 HG22 THR 9 1HG2 THR 9 -0.974 -6.866 3.747 81 HG23 THR 9 2HG2 THR 9 -0.582 -8.380 2.929 82 H SER 10 H SER 10 -5.709 -6.927 2.535 83 HA SER 10 HA SER 10 -7.087 -9.533 2.480 84 HB2 SER 10 2HB SER 10 -7.688 -7.326 4.505 85 HB3 SER 10 3HB SER 10 -8.580 -8.837 4.316 86 HG SER 10 HG SER 10 -6.222 -8.354 5.600 87 H GLU 11 H GLU 11 -8.920 -9.538 1.295 88 HA GLU 11 HA GLU 11 -9.559 -7.545 -0.576 89 HB2 GLU 11 2HB GLU 11 -11.335 -9.820 0.437 90 HB3 GLU 11 3HB GLU 11 -11.622 -8.882 -1.029 91 HG2 GLU 11 2HG GLU 11 -9.473 -9.731 -1.959 92 HG3 GLU 11 3HG GLU 11 -9.262 -10.717 -0.514 93 H GLN 12 H GLN 12 -10.910 -8.273 2.608 94 HA GLN 12 HA GLN 12 -13.125 -6.560 2.609 95 HB2 GLN 12 2HB GLN 12 -12.973 -6.666 5.093 96 HB3 GLN 12 3HB GLN 12 -12.837 -8.254 4.343 97 HG2 GLN 12 2HG GLN 12 -10.419 -8.260 4.688 98 HG3 GLN 12 3HG GLN 12 -10.476 -6.615 5.319 99 HE21 GLN 12 1HE2 GLN 12 -9.521 -7.243 7.254 100 HE22 GLN 12 2HE2 GLN 12 -10.362 -8.151 8.456 101 H LEU 13 H LEU 13 -9.712 -5.914 3.447 102 HA LEU 13 HA LEU 13 -10.077 -3.196 4.260 103 HB2 LEU 13 2HB LEU 13 -7.564 -4.654 3.343 104 HB3 LEU 13 3HB LEU 13 -7.580 -3.059 4.077 105 HG LEU 13 HG LEU 13 -8.378 -5.659 5.451 106 HD11 LEU 13 1HD1 LEU 13 -6.361 -5.309 6.825 107 HD12 LEU 13 2HD1 LEU 13 -5.943 -3.890 5.861 108 HD13 LEU 13 3HD1 LEU 13 -5.958 -5.490 5.116 109 HD21 LEU 13 3HD2 LEU 13 -8.565 -4.301 7.510 110 HD22 LEU 13 1HD2 LEU 13 -9.740 -3.810 6.291 111 HD23 LEU 13 2HD2 LEU 13 -8.295 -2.833 6.565 112 H LYS 14 H LYS 14 -9.329 -4.814 1.210 113 HA LYS 14 HA LYS 14 -8.438 -2.587 -0.272 114 HB2 LYS 14 2HB LYS 14 -8.080 -4.930 -0.996 115 HB3 LYS 14 3HB LYS 14 -9.810 -5.119 -1.278 116 HG2 LYS 14 2HG LYS 14 -9.734 -3.428 -3.052 117 HG3 LYS 14 3HG LYS 14 -8.020 -3.148 -2.738 118 HD2 LYS 14 2HD LYS 14 -7.547 -5.512 -3.395 119 HD3 LYS 14 3HD LYS 14 -9.255 -5.726 -3.785 120 HE2 LYS 14 2HE LYS 14 -9.042 -3.871 -5.455 121 HE3 LYS 14 3HE LYS 14 -7.312 -3.812 -5.122 122 HZ1 LYS 14 3HZ LYS 14 -7.142 -6.088 -5.903 123 HZ2 LYS 14 1HZ LYS 14 -7.791 -5.089 -7.096 124 HZ3 LYS 14 2HZ LYS 14 -8.797 -6.133 -6.227 125 H GLU 15 H GLU 15 -11.627 -4.187 -0.257 126 HA GLU 15 HA GLU 15 -12.925 -2.394 -2.019 127 HB2 GLU 15 2HB GLU 15 -14.982 -3.567 -1.356 128 HB3 GLU 15 3HB GLU 15 -13.677 -4.717 -1.615 129 HG2 GLU 15 2HG GLU 15 -13.322 -4.829 0.853 130 HG3 GLU 15 3HG GLU 15 -14.703 -3.756 1.075 131 H GLU 16 H GLU 16 -12.410 -2.366 1.443 132 HA GLU 16 HA GLU 16 -14.208 -0.349 2.236 133 HB2 GLU 16 2HB GLU 16 -12.977 -1.833 3.809 134 HB3 GLU 16 3HB GLU 16 -11.464 -1.066 3.347 135 HG2 GLU 16 2HG GLU 16 -12.078 -0.148 5.462 136 HG3 GLU 16 3HG GLU 16 -12.384 1.108 4.262 137 H VAL 17 H VAL 17 -10.678 -0.083 1.602 138 HA VAL 17 HA VAL 17 -10.513 2.708 1.698 139 HB VAL 17 HB VAL 17 -8.682 0.749 0.239 140 HG11 VAL 17 1HG1 VAL 17 -8.132 3.630 1.056 141 HG12 VAL 17 2HG1 VAL 17 -8.294 3.032 -0.597 142 HG13 VAL 17 3HG1 VAL 17 -6.938 2.508 0.399 143 HG21 VAL 17 3HG2 VAL 17 -8.908 0.272 2.658 144 HG22 VAL 17 1HG2 VAL 17 -8.444 1.933 3.032 145 HG23 VAL 17 2HG2 VAL 17 -7.282 0.842 2.271 146 H ARG 18 H ARG 18 -11.131 0.577 -1.097 147 HA ARG 18 HA ARG 18 -10.905 2.588 -3.083 148 HB2 ARG 18 2HB ARG 18 -12.347 -0.089 -3.194 149 HB3 ARG 18 3HB ARG 18 -12.061 0.951 -4.588 150 HG2 ARG 18 2HG ARG 18 -9.571 0.747 -4.096 151 HG3 ARG 18 3HG ARG 18 -9.986 -0.495 -2.915 152 HD2 ARG 18 2HD ARG 18 -9.370 -1.620 -4.943 153 HD3 ARG 18 3HD ARG 18 -11.124 -1.757 -4.785 154 HE ARG 18 HE ARG 18 -10.381 0.525 -6.338 155 HH11 ARG 18 1HH1 ARG 18 -10.796 -2.971 -6.602 156 HH12 ARG 18 2HH1 ARG 18 -11.083 -2.923 -8.314 157 HH21 ARG 18 1HH2 ARG 18 -10.759 0.579 -8.559 158 HH22 ARG 18 2HH2 ARG 18 -11.062 -0.895 -9.423 159 H LYS 19 H LYS 19 -13.584 1.539 -1.067 160 HA LYS 19 HA LYS 19 -15.655 2.922 -2.522 161 HB2 LYS 19 2HB LYS 19 -16.017 0.909 -1.014 162 HB3 LYS 19 3HB LYS 19 -15.676 1.948 0.361 163 HG2 LYS 19 2HG LYS 19 -18.063 1.724 0.187 164 HG3 LYS 19 3HG LYS 19 -17.648 3.372 -0.288 165 HD2 LYS 19 2HD LYS 19 -19.360 2.471 -1.794 166 HD3 LYS 19 3HD LYS 19 -17.858 2.706 -2.691 167 HE2 LYS 19 2HE LYS 19 -17.374 0.293 -2.518 168 HE3 LYS 19 3HE LYS 19 -18.838 0.055 -1.565 169 HZ1 LYS 19 3HZ LYS 19 -19.227 -0.572 -3.821 170 HZ2 LYS 19 1HZ LYS 19 -18.710 0.938 -4.392 171 HZ3 LYS 19 2HZ LYS 19 -20.126 0.813 -3.480 172 H LYS 20 H LYS 20 -13.741 3.523 0.408 173 HA LYS 20 HA LYS 20 -14.961 5.994 1.162 174 HB2 LYS 20 2HB LYS 20 -12.205 4.889 1.868 175 HB3 LYS 20 3HB LYS 20 -13.006 6.232 2.679 176 HG2 LYS 20 2HG LYS 20 -14.788 4.710 3.453 177 HG3 LYS 20 3HG LYS 20 -13.994 3.366 2.630 178 HD2 LYS 20 2HD LYS 20 -13.428 3.263 4.986 179 HD3 LYS 20 3HD LYS 20 -11.980 3.723 4.085 180 HE2 LYS 20 2HE LYS 20 -12.231 5.047 6.161 181 HE3 LYS 20 3HE LYS 20 -12.318 6.077 4.730 182 HZ1 LYS 20 3HZ LYS 20 -14.651 6.254 4.950 183 HZ2 LYS 20 1HZ LYS 20 -14.010 6.525 6.490 184 HZ3 LYS 20 2HZ LYS 20 -14.728 5.039 6.126 185 H PHE 21 H PHE 21 -12.162 5.117 -0.796 186 HA PHE 21 HA PHE 21 -11.821 7.913 -1.710 187 HB2 PHE 21 2HB PHE 21 -9.457 6.087 -1.070 188 HB3 PHE 21 3HB PHE 21 -9.414 7.794 -1.493 189 HD1 PHE 21 HD1 PHE 21 -10.329 9.504 0.176 190 HD2 PHE 21 HD2 PHE 21 -9.664 5.399 1.212 191 HE1 PHE 21 HE1 PHE 21 -10.368 10.075 2.560 192 HE2 PHE 21 HE2 PHE 21 -9.716 6.008 3.596 193 HZ PHE 21 HZ PHE 21 -10.057 8.343 4.254 194 HA PRO 22 HA PRO 22 -11.755 5.249 -5.521 195 HB2 PRO 22 2HB PRO 22 -13.236 7.539 -6.706 196 HB3 PRO 22 3HB PRO 22 -13.691 5.824 -6.644 197 HG2 PRO 22 2HG PRO 22 -15.011 7.676 -5.189 198 HG3 PRO 22 3HG PRO 22 -14.754 6.020 -4.592 199 HD2 PRO 22 2HD PRO 22 -13.208 8.527 -3.898 200 HD3 PRO 22 3HD PRO 22 -13.836 7.253 -2.818 201 H GLN 23 H GLN 23 -10.607 8.224 -4.430 202 HA GLN 23 HA GLN 23 -9.286 9.133 -6.831 203 HB2 GLN 23 2HB GLN 23 -8.392 10.921 -5.270 204 HB3 GLN 23 3HB GLN 23 -10.143 10.831 -5.400 205 HG2 GLN 23 2HG GLN 23 -10.177 9.539 -3.237 206 HG3 GLN 23 3HG GLN 23 -8.442 9.823 -3.098 207 HE21 GLN 23 1HE2 GLN 23 -8.807 10.949 -1.128 208 HE22 GLN 23 2HE2 GLN 23 -9.421 12.558 -1.102 209 H VAL 24 H VAL 24 -8.449 6.791 -4.498 210 HA VAL 24 HA VAL 24 -5.576 6.981 -5.273 211 HB VAL 24 HB VAL 24 -4.997 5.656 -3.261 212 HG11 VAL 24 1HG1 VAL 24 -6.550 8.183 -2.593 213 HG12 VAL 24 2HG1 VAL 24 -4.869 8.097 -3.127 214 HG13 VAL 24 3HG1 VAL 24 -5.331 7.418 -1.566 215 HG21 VAL 24 3HG2 VAL 24 -7.081 4.410 -2.919 216 HG22 VAL 24 1HG2 VAL 24 -7.940 5.895 -2.503 217 HG23 VAL 24 2HG2 VAL 24 -6.663 5.284 -1.446 218 H GLU 25 H GLU 25 -4.463 4.937 -5.637 219 HA GLU 25 HA GLU 25 -6.234 2.776 -6.685 220 HB2 GLU 25 2HB GLU 25 -4.213 2.016 -7.926 221 HB3 GLU 25 3HB GLU 25 -4.680 3.659 -8.338 222 HG2 GLU 25 2HG GLU 25 -2.871 4.421 -6.667 223 HG3 GLU 25 3HG GLU 25 -2.318 2.747 -6.680 224 H VAL 26 H VAL 26 -6.041 0.653 -5.912 225 HA VAL 26 HA VAL 26 -4.388 0.279 -3.477 226 HB VAL 26 HB VAL 26 -7.219 -0.786 -3.906 227 HG11 VAL 26 1HG1 VAL 26 -5.873 -2.319 -2.518 228 HG12 VAL 26 2HG1 VAL 26 -7.110 -1.519 -1.546 229 HG13 VAL 26 3HG1 VAL 26 -5.434 -0.979 -1.453 230 HG21 VAL 26 3HG2 VAL 26 -7.239 1.649 -3.523 231 HG22 VAL 26 1HG2 VAL 26 -6.271 1.434 -2.062 232 HG23 VAL 26 2HG2 VAL 26 -7.913 0.790 -2.133 233 H ARG 27 H ARG 27 -3.180 -1.531 -3.383 234 HA ARG 27 HA ARG 27 -3.484 -3.640 -5.436 235 HB2 ARG 27 2HB ARG 27 -1.082 -2.827 -3.731 236 HB3 ARG 27 3HB ARG 27 -1.097 -4.234 -4.784 237 HG2 ARG 27 2HG ARG 27 -1.415 -1.365 -5.725 238 HG3 ARG 27 3HG ARG 27 0.087 -2.284 -5.757 239 HD2 ARG 27 2HD ARG 27 -0.802 -2.349 -7.962 240 HD3 ARG 27 3HD ARG 27 -1.067 -3.947 -7.265 241 HE ARG 27 HE ARG 27 -3.356 -2.341 -6.861 242 HH11 ARG 27 1HH1 ARG 27 -1.690 -3.908 -9.528 243 HH12 ARG 27 2HH1 ARG 27 -3.139 -4.100 -10.460 244 HH21 ARG 27 1HH2 ARG 27 -5.246 -2.652 -8.072 245 HH22 ARG 27 2HH2 ARG 27 -5.144 -3.393 -9.639 246 H LEU 28 H LEU 28 -3.925 -5.690 -4.804 247 HA LEU 28 HA LEU 28 -4.298 -6.288 -1.944 248 HB2 LEU 28 2HB LEU 28 -6.196 -6.663 -3.466 249 HB3 LEU 28 3HB LEU 28 -5.224 -7.748 -4.442 250 HG LEU 28 HG LEU 28 -5.102 -9.355 -2.541 251 HD11 LEU 28 1HD1 LEU 28 -6.934 -7.425 -1.090 252 HD12 LEU 28 2HD1 LEU 28 -5.258 -7.793 -0.674 253 HD13 LEU 28 3HD1 LEU 28 -6.488 -9.046 -0.545 254 HD21 LEU 28 3HD2 LEU 28 -7.428 -10.122 -2.604 255 HD22 LEU 28 1HD2 LEU 28 -6.883 -9.614 -4.202 256 HD23 LEU 28 2HD2 LEU 28 -7.942 -8.563 -3.256 257 H VAL 29 H VAL 29 -3.008 -7.702 -0.894 258 HA VAL 29 HA VAL 29 -1.108 -9.400 -2.401 259 HB VAL 29 HB VAL 29 -0.663 -7.928 0.240 260 HG11 VAL 29 1HG1 VAL 29 1.225 -9.838 -1.184 261 HG12 VAL 29 2HG1 VAL 29 0.408 -10.142 0.350 262 HG13 VAL 29 3HG1 VAL 29 1.621 -8.867 0.237 263 HG21 VAL 29 3HG2 VAL 29 0.720 -7.588 -2.443 264 HG22 VAL 29 1HG2 VAL 29 1.124 -6.730 -0.952 265 HG23 VAL 29 2HG2 VAL 29 -0.440 -6.464 -1.726 266 H THR 30 H THR 30 -2.087 -11.354 -2.296 267 HA THR 30 HA THR 30 -3.212 -12.340 0.256 268 HB THR 30 HB THR 30 -4.010 -14.280 -1.087 269 HG1 THR 30 HG1 THR 30 -2.953 -12.901 -3.351 270 HG21 THR 30 3HG2 THR 30 -4.735 -11.615 -2.363 271 HG22 THR 30 1HG2 THR 30 -5.482 -12.300 -0.909 272 HG23 THR 30 2HG2 THR 30 -5.676 -13.101 -2.468 273 H THR 31 H THR 31 -0.622 -12.932 -2.036 274 HA THR 31 HA THR 31 0.839 -14.575 -0.043 275 HB THR 31 HB THR 31 1.899 -15.811 -1.934 276 HG1 THR 31 HG1 THR 31 0.074 -14.351 -3.578 277 HG21 THR 31 3HG2 THR 31 -0.019 -17.177 -2.688 278 HG22 THR 31 1HG2 THR 31 -1.131 -15.929 -2.113 279 HG23 THR 31 2HG2 THR 31 -0.143 -16.829 -0.962 280 H GLU 32 H GLU 32 3.275 -14.397 -0.472 281 HA GLU 32 HA GLU 32 4.131 -11.698 -0.645 282 HB2 GLU 32 2HB GLU 32 5.422 -13.408 0.611 283 HB3 GLU 32 3HB GLU 32 5.822 -14.221 -0.902 284 HG2 GLU 32 2HG GLU 32 7.042 -12.167 -1.657 285 HG3 GLU 32 3HG GLU 32 6.670 -11.406 -0.110 286 H GLU 33 H GLU 33 3.661 -14.150 -3.106 287 HA GLU 33 HA GLU 33 5.259 -13.148 -5.180 288 HB2 GLU 33 2HB GLU 33 2.535 -14.495 -5.377 289 HB3 GLU 33 3HB GLU 33 3.657 -14.276 -6.722 290 HG2 GLU 33 2HG GLU 33 5.353 -15.617 -5.329 291 HG3 GLU 33 3HG GLU 33 4.000 -16.027 -4.274 292 H ASP 34 H ASP 34 2.065 -12.168 -4.043 293 HA ASP 34 HA ASP 34 1.570 -10.172 -6.043 294 HB2 ASP 34 2HB ASP 34 0.370 -10.450 -3.253 295 HB3 ASP 34 3HB ASP 34 -0.256 -9.422 -4.537 296 H ALA 35 H ALA 35 3.069 -10.166 -2.818 297 HA ALA 35 HA ALA 35 3.400 -7.362 -2.520 298 HB1 ALA 35 3HB ALA 35 5.069 -7.942 -0.807 299 HB2 ALA 35 1HB ALA 35 5.107 -9.613 -1.375 300 HB3 ALA 35 2HB ALA 35 3.639 -8.958 -0.642 301 H LYS 36 H LYS 36 5.371 -9.856 -4.124 302 HA LYS 36 HA LYS 36 7.549 -8.203 -4.869 303 HB2 LYS 36 2HB LYS 36 6.448 -10.713 -6.206 304 HB3 LYS 36 3HB LYS 36 8.008 -9.973 -6.568 305 HG2 LYS 36 2HG LYS 36 8.787 -10.422 -4.296 306 HG3 LYS 36 3HG LYS 36 7.213 -11.103 -3.867 307 HD2 LYS 36 2HD LYS 36 7.529 -12.900 -5.536 308 HD3 LYS 36 3HD LYS 36 9.082 -12.204 -5.999 309 HE2 LYS 36 2HE LYS 36 9.841 -12.580 -3.613 310 HE3 LYS 36 3HE LYS 36 8.348 -13.479 -3.350 311 HZ1 LYS 36 3HZ LYS 36 10.533 -14.157 -5.245 312 HZ2 LYS 36 1HZ LYS 36 9.054 -14.969 -5.183 313 HZ3 LYS 36 2HZ LYS 36 10.087 -15.000 -3.851 314 H GLN 37 H GLN 37 4.517 -9.108 -6.536 315 HA GLN 37 HA GLN 37 4.815 -7.599 -8.869 316 HB2 GLN 37 2HB GLN 37 2.285 -8.320 -7.336 317 HB3 GLN 37 3HB GLN 37 2.268 -7.562 -8.923 318 HG2 GLN 37 2HG GLN 37 3.397 -9.522 -9.888 319 HG3 GLN 37 3HG GLN 37 3.454 -10.283 -8.296 320 HE21 GLN 37 1HE2 GLN 37 1.524 -11.134 -7.421 321 HE22 GLN 37 2HE2 GLN 37 0.089 -11.347 -8.356 322 H VAL 38 H VAL 38 3.801 -6.610 -5.602 323 HA VAL 38 HA VAL 38 3.072 -3.943 -6.244 324 HB VAL 38 HB VAL 38 3.998 -5.178 -3.604 325 HG11 VAL 38 1HG1 VAL 38 2.881 -2.386 -4.050 326 HG12 VAL 38 2HG1 VAL 38 4.517 -2.772 -3.514 327 HG13 VAL 38 3HG1 VAL 38 3.139 -3.137 -2.473 328 HG21 VAL 38 3HG2 VAL 38 1.832 -6.006 -4.424 329 HG22 VAL 38 1HG2 VAL 38 1.246 -4.351 -4.581 330 HG23 VAL 38 2HG2 VAL 38 1.603 -5.011 -2.984 331 H ILE 39 H ILE 39 6.192 -5.344 -5.077 332 HA ILE 39 HA ILE 39 7.720 -3.019 -4.875 333 HB ILE 39 HB ILE 39 8.644 -5.789 -5.777 334 HG12 ILE 39 2HG1 ILE 39 8.692 -4.517 -3.005 335 HG13 ILE 39 3HG1 ILE 39 7.511 -5.702 -3.538 336 HG21 ILE 39 1HG2 ILE 39 10.329 -3.492 -4.705 337 HG22 ILE 39 2HG2 ILE 39 10.356 -4.104 -6.359 338 HG23 ILE 39 3HG2 ILE 39 10.918 -5.124 -5.034 339 HD11 ILE 39 3HD1 ILE 39 9.195 -6.723 -2.156 340 HD12 ILE 39 1HD1 ILE 39 10.473 -6.168 -3.238 341 HD13 ILE 39 2HD1 ILE 39 9.292 -7.357 -3.799 342 H LYS 40 H LYS 40 7.150 -5.034 -7.744 343 HA LYS 40 HA LYS 40 8.599 -3.493 -9.634 344 HB2 LYS 40 2HB LYS 40 6.213 -5.318 -10.112 345 HB3 LYS 40 3HB LYS 40 7.379 -4.790 -11.323 346 HG2 LYS 40 2HG LYS 40 9.164 -6.030 -10.138 347 HG3 LYS 40 3HG LYS 40 7.981 -6.554 -8.934 348 HD2 LYS 40 2HD LYS 40 6.682 -7.637 -10.832 349 HD3 LYS 40 3HD LYS 40 8.055 -7.281 -11.885 350 HE2 LYS 40 2HE LYS 40 8.050 -9.061 -9.428 351 HE3 LYS 40 3HE LYS 40 8.200 -9.580 -11.105 352 HZ1 LYS 40 3HZ LYS 40 10.172 -7.890 -9.661 353 HZ2 LYS 40 1HZ LYS 40 10.333 -8.486 -11.232 354 HZ3 LYS 40 2HZ LYS 40 10.326 -9.552 -9.921 355 H GLU 41 H GLU 41 5.153 -3.573 -8.709 356 HA GLU 41 HA GLU 41 4.008 -1.988 -10.682 357 HB2 GLU 41 2HB GLU 41 2.817 -3.382 -8.908 358 HB3 GLU 41 3HB GLU 41 3.166 -2.107 -7.753 359 HG2 GLU 41 2HG GLU 41 0.963 -1.659 -8.350 360 HG3 GLU 41 3HG GLU 41 1.857 -0.549 -9.383 361 H ILE 42 H ILE 42 5.155 -1.073 -7.481 362 HA ILE 42 HA ILE 42 4.719 1.628 -7.355 363 HB ILE 42 HB ILE 42 7.069 0.005 -6.286 364 HG12 ILE 42 2HG1 ILE 42 4.583 0.942 -4.790 365 HG13 ILE 42 3HG1 ILE 42 4.747 -0.663 -5.490 366 HG21 ILE 42 1HG2 ILE 42 7.410 1.837 -4.645 367 HG22 ILE 42 2HG2 ILE 42 6.206 2.802 -5.505 368 HG23 ILE 42 3HG2 ILE 42 7.714 2.355 -6.307 369 HD11 ILE 42 3HD1 ILE 42 6.495 0.498 -3.319 370 HD12 ILE 42 1HD1 ILE 42 6.661 -1.111 -4.033 371 HD13 ILE 42 2HD1 ILE 42 5.214 -0.697 -3.115 372 H GLN 43 H GLN 43 7.695 0.019 -8.546 373 HA GLN 43 HA GLN 43 9.103 2.435 -9.091 374 HB2 GLN 43 2HB GLN 43 9.650 -0.390 -10.093 375 HB3 GLN 43 3HB GLN 43 10.800 0.948 -10.120 376 HG2 GLN 43 2HG GLN 43 10.810 1.025 -7.667 377 HG3 GLN 43 3HG GLN 43 9.593 -0.251 -7.606 378 HE21 GLN 43 1HE2 GLN 43 10.828 -1.740 -6.497 379 HE22 GLN 43 2HE2 GLN 43 12.252 -2.467 -7.150 380 H LYS 44 H LYS 44 7.194 0.234 -11.109 381 HA LYS 44 HA LYS 44 7.867 1.418 -13.622 382 HB2 LYS 44 2HB LYS 44 5.526 -0.383 -12.871 383 HB3 LYS 44 3HB LYS 44 5.952 0.061 -14.520 384 HG2 LYS 44 2HG LYS 44 7.574 -1.638 -12.604 385 HG3 LYS 44 3HG LYS 44 6.781 -2.159 -14.092 386 HD2 LYS 44 2HD LYS 44 8.342 -0.635 -15.375 387 HD3 LYS 44 3HD LYS 44 9.185 -0.300 -13.860 388 HE2 LYS 44 2HE LYS 44 10.414 -1.997 -15.068 389 HE3 LYS 44 3HE LYS 44 9.673 -2.758 -13.661 390 HZ1 LYS 44 3HZ LYS 44 9.420 -4.119 -15.623 391 HZ2 LYS 44 1HZ LYS 44 8.646 -2.868 -16.446 392 HZ3 LYS 44 2HZ LYS 44 7.904 -3.581 -15.107 393 H LYS 45 H LYS 45 5.249 1.920 -11.301 394 HA LYS 45 HA LYS 45 3.861 3.889 -12.928 395 HB2 LYS 45 2HB LYS 45 3.400 2.604 -10.253 396 HB3 LYS 45 3HB LYS 45 2.755 4.219 -10.447 397 HG2 LYS 45 2HG LYS 45 0.933 2.913 -10.973 398 HG3 LYS 45 3HG LYS 45 1.574 3.276 -12.568 399 HD2 LYS 45 2HD LYS 45 2.169 0.686 -11.092 400 HD3 LYS 45 3HD LYS 45 0.774 0.880 -12.147 401 HE2 LYS 45 2HE LYS 45 2.313 1.377 -14.037 402 HE3 LYS 45 3HE LYS 45 3.684 1.088 -12.964 403 HZ1 LYS 45 3HZ LYS 45 2.799 -1.173 -12.615 404 HZ2 LYS 45 1HZ LYS 45 3.251 -0.872 -14.214 405 HZ3 LYS 45 2HZ LYS 45 1.619 -0.865 -13.785 406 H GLY 46 H GLY 46 6.548 3.883 -10.810 407 HA2 GLY 46 2HA GLY 46 7.939 5.546 -10.069 408 HA3 GLY 46 3HA GLY 46 7.019 6.698 -11.021 409 H VAL 47 H VAL 47 6.153 4.609 -8.264 410 HA VAL 47 HA VAL 47 4.667 6.794 -7.013 411 HB VAL 47 HB VAL 47 4.904 3.900 -6.080 412 HG11 VAL 47 1HG1 VAL 47 4.027 5.452 -4.382 413 HG12 VAL 47 2HG1 VAL 47 2.776 4.334 -4.927 414 HG13 VAL 47 3HG1 VAL 47 2.783 5.999 -5.510 415 HG21 VAL 47 3HG2 VAL 47 2.821 3.430 -7.281 416 HG22 VAL 47 1HG2 VAL 47 4.102 3.911 -8.392 417 HG23 VAL 47 2HG2 VAL 47 2.826 5.058 -7.966 418 H GLN 48 H GLN 48 5.667 8.009 -5.528 419 HA GLN 48 HA GLN 48 8.090 7.097 -4.159 420 HB2 GLN 48 2HB GLN 48 6.711 9.811 -4.249 421 HB3 GLN 48 3HB GLN 48 8.103 9.479 -3.228 422 HG2 GLN 48 2HG GLN 48 8.877 10.592 -5.206 423 HG3 GLN 48 3HG GLN 48 9.430 8.922 -5.266 424 HE21 GLN 48 1HE2 GLN 48 6.183 10.153 -6.103 425 HE22 GLN 48 2HE2 GLN 48 6.276 9.686 -7.766 426 H LYS 49 H LYS 49 4.714 7.786 -3.454 427 HA LYS 49 HA LYS 49 5.140 7.214 -0.573 428 HB2 LYS 49 2HB LYS 49 2.954 8.747 -2.042 429 HB3 LYS 49 3HB LYS 49 2.882 8.353 -0.327 430 HG2 LYS 49 2HG LYS 49 4.716 9.777 0.188 431 HG3 LYS 49 3HG LYS 49 5.144 9.978 -1.514 432 HD2 LYS 49 2HD LYS 49 3.183 11.309 -1.933 433 HD3 LYS 49 3HD LYS 49 2.499 10.933 -0.352 434 HE2 LYS 49 2HE LYS 49 5.085 12.467 -0.704 435 HE3 LYS 49 3HE LYS 49 3.518 13.256 -0.609 436 HZ1 LYS 49 3HZ LYS 49 3.219 12.217 1.585 437 HZ2 LYS 49 1HZ LYS 49 4.561 13.251 1.532 438 HZ3 LYS 49 2HZ LYS 49 4.782 11.578 1.488 439 H VAL 50 H VAL 50 4.604 5.225 -0.032 440 HA VAL 50 HA VAL 50 2.386 3.778 -1.366 441 HB VAL 50 HB VAL 50 5.067 2.580 -0.496 442 HG11 VAL 50 1HG1 VAL 50 3.219 0.970 -0.219 443 HG12 VAL 50 2HG1 VAL 50 4.265 0.487 -1.557 444 HG13 VAL 50 3HG1 VAL 50 2.709 1.251 -1.886 445 HG21 VAL 50 3HG2 VAL 50 5.309 3.959 -2.526 446 HG22 VAL 50 1HG2 VAL 50 4.008 3.052 -3.301 447 HG23 VAL 50 2HG2 VAL 50 5.524 2.246 -2.892 448 H VAL 51 H VAL 51 0.897 3.306 0.086 449 HA VAL 51 HA VAL 51 1.410 3.285 2.955 450 HB VAL 51 HB VAL 51 -1.201 2.695 1.489 451 HG11 VAL 51 1HG1 VAL 51 -2.271 3.354 3.612 452 HG12 VAL 51 2HG1 VAL 51 -0.678 3.586 4.333 453 HG13 VAL 51 3HG1 VAL 51 -1.190 1.975 3.826 454 HG21 VAL 51 3HG2 VAL 51 -0.213 5.382 2.479 455 HG22 VAL 51 1HG2 VAL 51 -1.826 5.054 1.840 456 HG23 VAL 51 2HG2 VAL 51 -0.412 4.910 0.789 457 H LEU 52 H LEU 52 1.675 1.384 4.112 458 HA LEU 52 HA LEU 52 0.830 -1.181 2.884 459 HB2 LEU 52 2HB LEU 52 3.119 -0.610 4.812 460 HB3 LEU 52 3HB LEU 52 2.581 -2.223 4.387 461 HG LEU 52 HG LEU 52 3.851 -0.205 2.481 462 HD11 LEU 52 1HD1 LEU 52 4.927 -2.855 3.505 463 HD12 LEU 52 2HD1 LEU 52 5.464 -1.255 4.020 464 HD13 LEU 52 3HD1 LEU 52 5.721 -1.770 2.357 465 HD21 LEU 52 3HD2 LEU 52 2.210 -1.493 1.262 466 HD22 LEU 52 1HD2 LEU 52 2.870 -3.007 1.886 467 HD23 LEU 52 2HD2 LEU 52 3.831 -1.999 0.796 468 H VAL 53 H VAL 53 -1.180 -1.345 3.685 469 HA VAL 53 HA VAL 53 -1.868 -0.833 6.477 470 HB VAL 53 HB VAL 53 -3.701 -1.767 4.215 471 HG11 VAL 53 1HG1 VAL 53 -5.554 -0.942 5.640 472 HG12 VAL 53 2HG1 VAL 53 -4.396 -0.531 6.906 473 HG13 VAL 53 3HG1 VAL 53 -4.637 -2.218 6.447 474 HG21 VAL 53 3HG2 VAL 53 -2.722 0.401 3.601 475 HG22 VAL 53 1HG2 VAL 53 -3.236 1.083 5.145 476 HG23 VAL 53 2HG2 VAL 53 -4.443 0.569 3.964 477 H GLY 54 H GLY 54 -1.647 -2.426 7.897 478 HA2 GLY 54 2HA GLY 54 -1.827 -4.408 8.997 479 HA3 GLY 54 3HA GLY 54 -3.060 -4.823 7.820 480 H VAL 55 H VAL 55 0.340 -4.212 7.049 481 HA VAL 55 HA VAL 55 0.526 -6.854 5.789 482 HB VAL 55 HB VAL 55 2.613 -6.065 4.783 483 HG11 VAL 55 1HG1 VAL 55 0.542 -5.444 3.626 484 HG12 VAL 55 2HG1 VAL 55 1.757 -4.181 3.420 485 HG13 VAL 55 3HG1 VAL 55 0.433 -3.952 4.567 486 HG21 VAL 55 3HG2 VAL 55 2.285 -3.542 6.454 487 HG22 VAL 55 1HG2 VAL 55 3.502 -3.785 5.196 488 HG23 VAL 55 2HG2 VAL 55 3.534 -4.773 6.656 489 H SER 56 H SER 56 2.544 -8.136 6.088 490 HA SER 56 HA SER 56 3.306 -8.491 8.846 491 HB2 SER 56 2HB SER 56 4.488 -9.729 6.308 492 HB3 SER 56 3HB SER 56 4.664 -10.341 7.956 493 HG SER 56 HG SER 56 2.105 -10.151 7.642 494 H GLU 57 H GLU 57 5.438 -8.143 9.730 495 HA GLU 57 HA GLU 57 6.663 -5.689 9.004 496 HB2 GLU 57 2HB GLU 57 6.643 -6.497 11.319 497 HB3 GLU 57 3HB GLU 57 7.626 -7.893 10.885 498 HG2 GLU 57 2HG GLU 57 9.486 -6.331 10.267 499 HG3 GLU 57 3HG GLU 57 8.500 -4.979 10.814 500 H LYS 58 H LYS 58 7.530 -9.059 8.383 501 HA LYS 58 HA LYS 58 10.065 -8.675 7.225 502 HB2 LYS 58 2HB LYS 58 7.965 -10.812 6.692 503 HB3 LYS 58 3HB LYS 58 9.596 -10.873 6.043 504 HG2 LYS 58 2HG LYS 58 8.928 -10.856 9.003 505 HG3 LYS 58 3HG LYS 58 9.263 -12.302 8.049 506 HD2 LYS 58 2HD LYS 58 11.536 -11.433 7.540 507 HD3 LYS 58 3HD LYS 58 11.203 -10.003 8.521 508 HE2 LYS 58 2HE LYS 58 12.542 -11.609 9.791 509 HE3 LYS 58 3HE LYS 58 10.946 -11.459 10.519 510 HZ1 LYS 58 3HZ LYS 58 11.648 -13.751 10.412 511 HZ2 LYS 58 1HZ LYS 58 11.841 -13.660 8.735 512 HZ3 LYS 58 2HZ LYS 58 10.302 -13.521 9.421 513 H LEU 59 H LEU 59 6.798 -8.516 5.830 514 HA LEU 59 HA LEU 59 7.676 -8.060 3.121 515 HB2 LEU 59 2HB LEU 59 4.937 -7.656 4.400 516 HB3 LEU 59 3HB LEU 59 5.268 -7.602 2.676 517 HG LEU 59 HG LEU 59 5.487 -10.054 4.468 518 HD11 LEU 59 1HD1 LEU 59 3.180 -9.423 3.948 519 HD12 LEU 59 2HD1 LEU 59 3.617 -10.925 3.138 520 HD13 LEU 59 3HD1 LEU 59 3.550 -9.417 2.221 521 HD21 LEU 59 3HD2 LEU 59 7.258 -10.127 2.769 522 HD22 LEU 59 1HD2 LEU 59 6.075 -9.827 1.491 523 HD23 LEU 59 2HD2 LEU 59 6.017 -11.326 2.421 524 H LEU 60 H LEU 60 6.801 -6.080 5.888 525 HA LEU 60 HA LEU 60 6.354 -3.582 4.690 526 HB2 LEU 60 2HB LEU 60 5.867 -4.080 7.058 527 HB3 LEU 60 3HB LEU 60 7.582 -4.257 7.381 528 HG LEU 60 HG LEU 60 7.600 -1.697 6.418 529 HD11 LEU 60 1HD1 LEU 60 5.210 -1.599 6.001 530 HD12 LEU 60 2HD1 LEU 60 5.683 -0.437 7.238 531 HD13 LEU 60 3HD1 LEU 60 4.876 -1.936 7.703 532 HD21 LEU 60 3HD2 LEU 60 6.996 -2.439 9.287 533 HD22 LEU 60 1HD2 LEU 60 7.677 -0.910 8.719 534 HD23 LEU 60 2HD2 LEU 60 8.590 -2.407 8.517 535 H GLN 61 H GLN 61 9.291 -4.828 6.242 536 HA GLN 61 HA GLN 61 11.012 -2.690 5.536 537 HB2 GLN 61 2HB GLN 61 11.671 -5.534 6.403 538 HB3 GLN 61 3HB GLN 61 12.798 -4.184 6.415 539 HG2 GLN 61 2HG GLN 61 10.257 -4.266 8.077 540 HG3 GLN 61 3HG GLN 61 11.826 -4.806 8.664 541 HE21 GLN 61 1HE2 GLN 61 11.770 -3.238 10.347 542 HE22 GLN 61 2HE2 GLN 61 12.046 -1.561 10.036 543 H LYS 62 H LYS 62 10.062 -5.634 3.943 544 HA LYS 62 HA LYS 62 12.292 -5.891 2.155 545 HB2 LYS 62 2HB LYS 62 10.833 -7.790 2.862 546 HB3 LYS 62 3HB LYS 62 9.510 -7.106 1.926 547 HG2 LYS 62 2HG LYS 62 10.643 -7.526 -0.145 548 HG3 LYS 62 3HG LYS 62 12.156 -7.904 0.686 549 HD2 LYS 62 2HD LYS 62 11.078 -9.931 1.684 550 HD3 LYS 62 3HD LYS 62 9.598 -9.566 0.790 551 HE2 LYS 62 2HE LYS 62 10.676 -9.953 -1.317 552 HE3 LYS 62 3HE LYS 62 12.270 -9.989 -0.567 553 HZ1 LYS 62 3HZ LYS 62 10.145 -12.000 -0.108 554 HZ2 LYS 62 1HZ LYS 62 11.707 -12.037 0.518 555 HZ3 LYS 62 2HZ LYS 62 11.460 -12.199 -1.148 556 H ILE 63 H ILE 63 8.898 -4.858 1.630 557 HA ILE 63 HA ILE 63 9.203 -3.900 -0.999 558 HB ILE 63 HB ILE 63 7.149 -3.438 1.184 559 HG12 ILE 63 2HG1 ILE 63 5.566 -4.438 -0.463 560 HG13 ILE 63 3HG1 ILE 63 6.838 -4.484 -1.670 561 HG21 ILE 63 1HG2 ILE 63 7.129 -1.891 -1.425 562 HG22 ILE 63 2HG2 ILE 63 7.296 -1.208 0.194 563 HG23 ILE 63 3HG2 ILE 63 5.781 -1.977 -0.287 564 HD11 ILE 63 3HD1 ILE 63 6.693 -6.110 0.858 565 HD12 ILE 63 1HD1 ILE 63 8.039 -6.143 -0.287 566 HD13 ILE 63 2HD1 ILE 63 6.437 -6.678 -0.790 567 H LYS 64 H LYS 64 9.642 -2.335 2.149 568 HA LYS 64 HA LYS 64 10.054 0.321 1.440 569 HB2 LYS 64 2HB LYS 64 9.804 -0.308 3.761 570 HB3 LYS 64 3HB LYS 64 11.186 -1.388 3.687 571 HG2 LYS 64 2HG LYS 64 11.629 0.683 4.982 572 HG3 LYS 64 3HG LYS 64 12.727 0.477 3.612 573 HD2 LYS 64 2HD LYS 64 11.260 2.061 2.299 574 HD3 LYS 64 3HD LYS 64 10.331 2.352 3.771 575 HE2 LYS 64 2HE LYS 64 12.201 3.383 4.847 576 HE3 LYS 64 3HE LYS 64 13.317 2.808 3.602 577 HZ1 LYS 64 3HZ LYS 64 11.125 4.746 3.131 578 HZ2 LYS 64 1HZ LYS 64 12.284 4.252 2.010 579 HZ3 LYS 64 2HZ LYS 64 12.748 5.158 3.359 580 H GLN 65 H GLN 65 12.583 -2.147 1.968 581 HA GLN 65 HA GLN 65 14.711 -0.413 1.202 582 HB2 GLN 65 2HB GLN 65 14.658 -3.425 1.634 583 HB3 GLN 65 3HB GLN 65 16.130 -2.478 1.427 584 HG2 GLN 65 2HG GLN 65 15.670 -1.232 3.475 585 HG3 GLN 65 3HG GLN 65 14.119 -2.049 3.655 586 HE21 GLN 65 1HE2 GLN 65 14.106 -4.256 4.253 587 HE22 GLN 65 2HE2 GLN 65 15.457 -4.974 5.050 588 H GLU 66 H GLU 66 13.095 -3.134 -0.500 589 HA GLU 66 HA GLU 66 14.964 -3.115 -2.680 590 HB2 GLU 66 2HB GLU 66 12.277 -4.513 -2.433 591 HB3 GLU 66 3HB GLU 66 13.424 -4.764 -3.749 592 HG2 GLU 66 2HG GLU 66 15.123 -5.468 -1.978 593 HG3 GLU 66 3HG GLU 66 13.789 -5.464 -0.823 594 H ALA 67 H ALA 67 11.613 -1.830 -2.328 595 HA ALA 67 HA ALA 67 11.581 -0.827 -5.045 596 HB1 ALA 67 3HB ALA 67 9.445 0.203 -4.477 597 HB2 ALA 67 1HB ALA 67 9.692 -0.172 -2.768 598 HB3 ALA 67 2HB ALA 67 9.484 -1.478 -3.938 599 H ASN 68 H ASN 68 12.665 0.351 -1.965 600 HA ASN 68 HA ASN 68 13.688 2.215 -1.223 601 HB2 ASN 68 2HB ASN 68 15.264 1.745 -3.067 602 HB3 ASN 68 3HB ASN 68 14.291 2.708 -4.164 603 HD21 ASN 68 1HD2 ASN 68 15.118 3.603 -0.813 604 HD22 ASN 68 2HD2 ASN 68 16.082 4.964 -1.255 605 H VAL 69 H VAL 69 11.285 2.619 -0.826 606 HA VAL 69 HA VAL 69 10.516 5.298 -1.809 607 HB VAL 69 HB VAL 69 8.130 4.550 -2.080 608 HG11 VAL 69 1HG1 VAL 69 9.618 4.798 -4.045 609 HG12 VAL 69 2HG1 VAL 69 8.394 3.559 -4.283 610 HG13 VAL 69 3HG1 VAL 69 10.055 3.089 -3.925 611 HG21 VAL 69 3HG2 VAL 69 8.167 2.526 -0.682 612 HG22 VAL 69 1HG2 VAL 69 9.271 1.735 -1.811 613 HG23 VAL 69 2HG2 VAL 69 7.622 2.124 -2.313 614 H GLN 70 H GLN 70 8.711 6.241 -0.569 615 HA GLN 70 HA GLN 70 9.166 5.996 2.258 616 HB2 GLN 70 2HB GLN 70 7.247 7.746 0.659 617 HB3 GLN 70 3HB GLN 70 7.500 7.878 2.396 618 HG2 GLN 70 2HG GLN 70 9.593 8.348 0.255 619 HG3 GLN 70 3HG GLN 70 8.770 9.590 1.197 620 HE21 GLN 70 1HE2 GLN 70 9.327 9.849 3.397 621 HE22 GLN 70 2HE2 GLN 70 10.798 9.212 4.040 622 H VAL 71 H VAL 71 8.189 4.527 3.454 623 HA VAL 71 HA VAL 71 5.661 3.285 2.601 624 HB VAL 71 HB VAL 71 7.877 2.395 4.489 625 HG11 VAL 71 1HG1 VAL 71 5.185 1.046 4.113 626 HG12 VAL 71 2HG1 VAL 71 5.770 1.789 5.601 627 HG13 VAL 71 3HG1 VAL 71 6.561 0.342 4.970 628 HG21 VAL 71 3HG2 VAL 71 8.253 2.026 2.075 629 HG22 VAL 71 1HG2 VAL 71 6.718 1.160 1.964 630 HG23 VAL 71 2HG2 VAL 71 8.041 0.487 2.917 631 H TYR 72 H TYR 72 3.822 3.691 3.630 632 HA TYR 72 HA TYR 72 3.828 5.092 6.245 633 HB2 TYR 72 2HB TYR 72 1.686 4.986 4.053 634 HB3 TYR 72 3HB TYR 72 1.535 5.849 5.583 635 HD1 TYR 72 HD2 TYR 72 3.480 5.771 2.383 636 HD2 TYR 72 HD1 TYR 72 2.490 8.036 5.877 637 HE1 TYR 72 HE2 TYR 72 4.582 7.733 1.417 638 HE2 TYR 72 HE1 TYR 72 3.599 10.001 4.900 639 HH TYR 72 HH TYR 72 5.461 10.387 3.189 640 H ARG 73 H ARG 73 3.750 3.511 7.722 641 HA ARG 73 HA ARG 73 2.516 0.934 7.222 642 HB2 ARG 73 2HB ARG 73 4.709 1.172 8.372 643 HB3 ARG 73 3HB ARG 73 3.931 2.055 9.683 644 HG2 ARG 73 2HG ARG 73 2.634 0.045 10.278 645 HG3 ARG 73 3HG ARG 73 3.368 -0.833 8.931 646 HD2 ARG 73 2HD ARG 73 5.625 -0.361 10.007 647 HD3 ARG 73 3HD ARG 73 4.735 0.223 11.418 648 HE ARG 73 HE ARG 73 3.805 -2.347 10.764 649 HH11 ARG 73 1HH1 ARG 73 6.706 -0.821 12.031 650 HH12 ARG 73 2HH1 ARG 73 7.199 -2.220 12.923 651 HH21 ARG 73 1HH2 ARG 73 4.480 -4.191 11.922 652 HH22 ARG 73 2HH2 ARG 73 5.939 -4.132 12.864 653 H VAL 74 H VAL 74 0.345 0.929 7.357 654 HA VAL 74 HA VAL 74 -1.044 2.534 9.416 655 HB VAL 74 HB VAL 74 -1.894 1.529 6.676 656 HG11 VAL 74 1HG1 VAL 74 -4.128 2.489 7.058 657 HG12 VAL 74 2HG1 VAL 74 -3.706 2.829 8.733 658 HG13 VAL 74 3HG1 VAL 74 -3.820 1.159 8.173 659 HG21 VAL 74 3HG2 VAL 74 -2.220 3.938 6.221 660 HG22 VAL 74 1HG2 VAL 74 -0.562 3.606 6.742 661 HG23 VAL 74 2HG2 VAL 74 -1.720 4.319 7.869 662 H THR 75 H THR 75 -2.109 1.583 10.992 663 HA THR 75 HA THR 75 -2.851 -1.290 10.846 664 HB THR 75 HB THR 75 -2.516 -1.354 13.337 665 HG1 THR 75 HG1 THR 75 -1.459 1.277 12.915 666 HG21 THR 75 3HG2 THR 75 -0.670 -2.111 11.867 667 HG22 THR 75 1HG2 THR 75 -0.040 -1.336 13.324 668 HG23 THR 75 2HG2 THR 75 -0.041 -0.464 11.792 669 H SER 76 H SER 76 -4.074 1.847 11.016 670 HA SER 76 HA SER 76 -6.739 0.898 11.877 671 HB2 SER 76 2HB SER 76 -5.746 2.112 13.817 672 HB3 SER 76 3HB SER 76 -5.456 3.524 12.799 673 HG SER 76 HG SER 76 -7.579 3.081 14.182 674 H ASN 77 H ASN 77 -8.496 1.987 10.828 675 HA ASN 77 HA ASN 77 -8.190 2.734 8.170 676 HB2 ASN 77 2HB ASN 77 -10.470 3.497 10.058 677 HB3 ASN 77 3HB ASN 77 -10.518 3.740 8.316 678 HD21 ASN 77 1HD2 ASN 77 -10.783 1.956 6.961 679 HD22 ASN 77 2HD2 ASN 77 -11.307 0.423 7.557 680 H ASP 78 H ASP 78 -8.384 4.786 11.034 681 HA ASP 78 HA ASP 78 -8.646 7.303 9.858 682 HB2 ASP 78 2HB ASP 78 -7.447 6.417 12.510 683 HB3 ASP 78 3HB ASP 78 -7.683 8.115 12.095 684 H GLU 79 H GLU 79 -5.720 5.391 10.462 685 HA GLU 79 HA GLU 79 -3.815 7.450 10.036 686 HB2 GLU 79 2HB GLU 79 -3.413 4.473 9.559 687 HB3 GLU 79 3HB GLU 79 -2.155 5.669 9.863 688 HG2 GLU 79 2HG GLU 79 -4.223 4.609 11.792 689 HG3 GLU 79 3HG GLU 79 -2.475 4.443 11.892 690 H LEU 80 H LEU 80 -5.130 4.933 7.933 691 HA LEU 80 HA LEU 80 -3.838 5.537 5.522 692 HB2 LEU 80 2HB LEU 80 -5.058 3.446 5.939 693 HB3 LEU 80 3HB LEU 80 -6.569 4.302 6.095 694 HG LEU 80 HG LEU 80 -6.093 2.935 3.919 695 HD11 LEU 80 1HD1 LEU 80 -7.395 4.432 2.507 696 HD12 LEU 80 2HD1 LEU 80 -7.141 5.750 3.652 697 HD13 LEU 80 3HD1 LEU 80 -8.063 4.326 4.136 698 HD21 LEU 80 3HD2 LEU 80 -3.854 3.844 3.466 699 HD22 LEU 80 1HD2 LEU 80 -4.549 5.444 3.201 700 HD23 LEU 80 2HD2 LEU 80 -4.951 4.111 2.116 701 H GLU 81 H GLU 81 -6.863 6.708 6.935 702 HA GLU 81 HA GLU 81 -7.900 8.204 4.822 703 HB2 GLU 81 2HB GLU 81 -8.229 8.453 7.845 704 HB3 GLU 81 3HB GLU 81 -9.150 9.438 6.710 705 HG2 GLU 81 2HG GLU 81 -10.145 7.424 5.729 706 HG3 GLU 81 3HG GLU 81 -9.176 6.406 6.786 707 H GLN 82 H GLN 82 -5.605 9.128 7.369 708 HA GLN 82 HA GLN 82 -5.456 11.891 6.603 709 HB2 GLN 82 2HB GLN 82 -3.606 10.251 8.382 710 HB3 GLN 82 3HB GLN 82 -3.525 12.000 8.191 711 HG2 GLN 82 2HG GLN 82 -5.835 10.431 9.362 712 HG3 GLN 82 3HG GLN 82 -4.704 11.441 10.253 713 HE21 GLN 82 1HE2 GLN 82 -7.436 11.414 8.093 714 HE22 GLN 82 2HE2 GLN 82 -7.859 13.080 8.280 715 H VAL 83 H VAL 83 -3.508 9.020 5.847 716 HA VAL 83 HA VAL 83 -1.391 10.357 4.516 717 HB VAL 83 HB VAL 83 -2.391 7.509 4.079 718 HG11 VAL 83 1HG1 VAL 83 -0.094 7.042 3.244 719 HG12 VAL 83 2HG1 VAL 83 0.290 8.759 3.360 720 HG13 VAL 83 3HG1 VAL 83 -0.940 8.206 2.221 721 HG21 VAL 83 3HG2 VAL 83 -0.200 8.542 5.915 722 HG22 VAL 83 1HG2 VAL 83 -0.629 6.844 5.675 723 HG23 VAL 83 2HG2 VAL 83 -1.780 7.950 6.426 724 H VAL 84 H VAL 84 -4.542 9.166 3.392 725 HA VAL 84 HA VAL 84 -4.170 9.599 0.627 726 HB VAL 84 HB VAL 84 -6.767 9.633 2.213 727 HG11 VAL 84 1HG1 VAL 84 -7.109 10.834 0.107 728 HG12 VAL 84 2HG1 VAL 84 -7.879 9.252 -0.006 729 HG13 VAL 84 3HG1 VAL 84 -6.331 9.535 -0.798 730 HG21 VAL 84 3HG2 VAL 84 -5.498 7.423 0.553 731 HG22 VAL 84 1HG2 VAL 84 -7.061 7.328 1.372 732 HG23 VAL 84 2HG2 VAL 84 -5.575 7.470 2.314 733 H LYS 85 H LYS 85 -5.456 11.683 3.204 734 HA LYS 85 HA LYS 85 -6.125 13.895 1.556 735 HB2 LYS 85 2HB LYS 85 -5.547 13.858 4.545 736 HB3 LYS 85 3HB LYS 85 -6.338 15.168 3.665 737 HG2 LYS 85 2HG LYS 85 -8.193 13.599 3.061 738 HG3 LYS 85 3HG LYS 85 -7.416 12.354 4.040 739 HD2 LYS 85 2HD LYS 85 -9.172 13.357 5.366 740 HD3 LYS 85 3HD LYS 85 -7.622 13.879 6.035 741 HE2 LYS 85 2HE LYS 85 -9.250 15.737 5.912 742 HE3 LYS 85 3HE LYS 85 -7.841 16.044 4.895 743 HZ1 LYS 85 3HZ LYS 85 -10.420 14.952 3.895 744 HZ2 LYS 85 1HZ LYS 85 -9.093 15.428 2.967 745 HZ3 LYS 85 2HZ LYS 85 -9.979 16.583 3.819 746 H ASP 86 H ASP 86 -3.120 12.880 3.037 747 HA ASP 86 HA ASP 86 -1.613 15.244 2.939 748 HB2 ASP 86 2HB ASP 86 -0.834 13.195 4.093 749 HB3 ASP 86 3HB ASP 86 -0.702 12.358 2.551 750 H VAL 87 H VAL 87 -2.193 12.775 0.459 751 HA VAL 87 HA VAL 87 -0.629 14.168 -1.571 752 HB VAL 87 HB VAL 87 -2.396 11.689 -1.791 753 HG11 VAL 87 1HG1 VAL 87 -2.091 12.745 -4.000 754 HG12 VAL 87 2HG1 VAL 87 -1.200 11.224 -3.909 755 HG13 VAL 87 3HG1 VAL 87 -0.339 12.756 -3.761 756 HG21 VAL 87 3HG2 VAL 87 0.615 11.906 -1.460 757 HG22 VAL 87 1HG2 VAL 87 -0.277 10.406 -1.716 758 HG23 VAL 87 2HG2 VAL 87 -0.523 11.338 -0.235 759 H LYS 88 H LYS 88 -3.989 13.685 -0.698 760 HA LYS 88 HA LYS 88 -4.987 15.199 -3.030 761 HB2 LYS 88 2HB LYS 88 -6.433 13.448 -0.980 762 HB3 LYS 88 3HB LYS 88 -7.226 14.283 -2.313 763 HG2 LYS 88 2HG LYS 88 -5.108 12.124 -2.604 764 HG3 LYS 88 3HG LYS 88 -6.847 11.884 -2.799 765 HD2 LYS 88 2HD LYS 88 -5.106 13.700 -4.517 766 HD3 LYS 88 3HD LYS 88 -5.697 12.106 -4.984 767 HE2 LYS 88 2HE LYS 88 -8.019 12.917 -4.920 768 HE3 LYS 88 3HE LYS 88 -7.472 14.498 -4.356 769 HZ1 LYS 88 3HZ LYS 88 -6.724 13.290 -6.955 770 HZ2 LYS 88 1HZ LYS 88 -6.328 14.837 -6.416 771 HZ3 LYS 88 2HZ LYS 88 -7.937 14.444 -6.744 772 H GLY 89 H GLY 89 -4.403 17.274 -2.308 773 HA2 GLY 89 2HA GLY 89 -4.829 18.381 0.241 774 HA3 GLY 89 3HA GLY 89 -4.636 19.292 -1.247 775 H SER 90 H SER 90 -6.775 18.698 -2.711 776 HA SER 90 HA SER 90 -9.082 19.707 -1.239 777 HB2 SER 90 2HB SER 90 -8.740 19.059 -4.196 778 HB3 SER 90 3HB SER 90 -10.121 19.893 -3.473 779 HG SER 90 HG SER 90 -7.754 21.060 -2.785 780 H GLY 91 H GLY 91 -9.410 17.917 0.098 781 HA2 GLY 91 2HA GLY 91 -9.771 15.237 -0.802 782 HA3 GLY 91 3HA GLY 91 -10.163 15.872 0.789 783 H LEU 92 H LEU 92 -11.645 14.080 -1.161 784 HA LEU 92 HA LEU 92 -14.088 15.659 -1.718 785 HB2 LEU 92 2HB LEU 92 -13.244 12.901 -2.700 786 HB3 LEU 92 3HB LEU 92 -14.686 13.764 -3.210 787 HG LEU 92 HG LEU 92 -11.822 14.666 -3.754 788 HD11 LEU 92 1HD1 LEU 92 -12.364 12.687 -5.064 789 HD12 LEU 92 2HD1 LEU 92 -12.271 14.105 -6.104 790 HD13 LEU 92 3HD1 LEU 92 -13.847 13.444 -5.656 791 HD21 LEU 92 3HD2 LEU 92 -14.451 15.873 -4.682 792 HD22 LEU 92 1HD2 LEU 92 -12.844 16.365 -5.229 793 HD23 LEU 92 2HD2 LEU 92 -13.305 16.588 -3.545 794 H GLU 93 H GLU 93 -13.160 14.431 0.940 795 HA GLU 93 HA GLU 93 -15.616 12.926 1.645 796 HB2 GLU 93 2HB GLU 93 -13.954 11.395 3.015 797 HB3 GLU 93 3HB GLU 93 -14.225 11.088 1.311 798 HG2 GLU 93 2HG GLU 93 -11.842 10.887 1.956 799 HG3 GLU 93 3HG GLU 93 -12.122 12.099 0.708 800 H HIS 94 H HIS 94 -15.244 12.374 4.214 801 HA HIS 94 HA HIS 94 -14.030 14.646 5.651 802 HB2 HIS 94 2HB HIS 94 -16.895 13.638 6.102 803 HB3 HIS 94 3HB HIS 94 -16.048 14.714 7.204 804 HD1 HIS 94 HD1 HIS 94 -15.731 17.194 6.461 805 HD2 HIS 94 HD2 HIS 94 -17.891 14.891 3.765 806 HE1 HIS 94 HE1 HIS 94 -16.796 18.824 4.878 807 HE2 HIS 94 HE2 HIS 94 -18.242 17.410 3.384 808 H HIS 95 H HIS 95 -12.402 13.454 6.551 809 HA HIS 95 HA HIS 95 -12.444 10.879 7.645 810 HB2 HIS 95 2HB HIS 95 -10.316 11.915 7.306 811 HB3 HIS 95 3HB HIS 95 -10.749 13.329 8.249 812 HD1 HIS 95 HD1 HIS 95 -10.017 13.347 10.642 813 HD2 HIS 95 HD2 HIS 95 -9.831 9.541 9.000 814 HE1 HIS 95 HE1 HIS 95 -8.862 11.924 12.352 815 HE2 HIS 95 HE2 HIS 95 -9.037 9.599 11.440 816 H HIS 96 H HIS 96 -13.390 10.042 9.415 817 HA HIS 96 HA HIS 96 -14.950 11.616 11.240 818 HB2 HIS 96 2HB HIS 96 -15.467 9.431 12.343 819 HB3 HIS 96 3HB HIS 96 -15.743 9.406 10.611 820 HD1 HIS 96 HD1 HIS 96 -15.560 6.775 11.963 821 HD2 HIS 96 HD2 HIS 96 -12.193 8.681 10.452 822 HE1 HIS 96 HE1 HIS 96 -13.874 4.967 11.555 823 HE2 HIS 96 HE2 HIS 96 -11.912 6.133 10.507 824 H HIS 97 H HIS 97 -14.531 12.324 13.251 825 HA HIS 97 HA HIS 97 -11.818 12.083 14.340 826 HB2 HIS 97 2HB HIS 97 -12.601 13.908 15.941 827 HB3 HIS 97 3HB HIS 97 -12.554 14.352 14.245 828 HD1 HIS 97 HD1 HIS 97 -14.572 15.501 13.378 829 HD2 HIS 97 HD2 HIS 97 -15.441 13.302 16.796 830 HE1 HIS 97 HE1 HIS 97 -16.956 16.042 13.952 831 HE2 HIS 97 HE2 HIS 97 -17.452 14.696 16.012 832 H HIS 98 H HIS 98 -11.280 11.021 16.137 833 HA HIS 98 HA HIS 98 -13.377 9.641 17.728 834 HB2 HIS 98 2HB HIS 98 -10.450 8.860 17.306 835 HB3 HIS 98 3HB HIS 98 -11.578 8.003 18.349 836 HD1 HIS 98 HD1 HIS 98 -12.130 5.860 17.227 837 HD2 HIS 98 HD2 HIS 98 -11.909 8.972 14.498 838 HE1 HIS 98 HE1 HIS 98 -12.621 4.839 14.995 839 HE2 HIS 98 HE2 HIS 98 -12.105 6.677 13.367 840 H HIS 99 H HIS 99 -12.851 9.340 20.047 841 HA HIS 99 HA HIS 99 -10.951 11.132 21.308 842 HB2 HIS 99 2HB HIS 99 -12.738 12.266 22.724 843 HB3 HIS 99 3HB HIS 99 -12.681 12.770 21.041 844 HD1 HIS 99 HD1 HIS 99 -14.632 11.789 19.481 845 HD2 HIS 99 HD2 HIS 99 -15.235 11.391 23.568 846 HE1 HIS 99 HE1 HIS 99 -17.054 11.224 19.756 847 HE2 HIS 99 HE2 HIS 99 -17.365 10.875 22.220 Start of MODEL 2 1 H1 MET 1 1H MET 1 3.685 14.904 -9.662 2 H2 MET 1 2H MET 1 2.570 14.216 -10.725 3 H3 MET 1 3H MET 1 4.217 13.895 -10.912 4 HA MET 1 HA MET 1 3.042 12.043 -9.949 5 HB2 MET 1 2HB MET 1 4.528 11.726 -7.931 6 HB3 MET 1 3HB MET 1 5.386 12.215 -9.383 7 HG2 MET 1 2HG MET 1 5.577 14.503 -8.530 8 HG3 MET 1 3HG MET 1 4.648 14.057 -7.095 9 HE1 MET 1 3HE MET 1 8.280 14.517 -5.647 10 HE2 MET 1 1HE MET 1 6.596 15.021 -5.525 11 HE3 MET 1 2HE MET 1 7.551 15.470 -6.940 12 H GLY 2 H GLY 2 1.191 11.551 -8.943 13 HA2 GLY 2 2HA GLY 2 0.395 12.855 -6.435 14 HA3 GLY 2 3HA GLY 2 -0.718 12.922 -7.798 15 H ARG 3 H ARG 3 0.671 10.058 -8.322 16 HA ARG 3 HA ARG 3 -1.503 8.546 -7.312 17 HB2 ARG 3 2HB ARG 3 1.118 7.620 -8.562 18 HB3 ARG 3 3HB ARG 3 -0.189 6.525 -8.115 19 HG2 ARG 3 2HG ARG 3 -1.697 7.727 -9.709 20 HG3 ARG 3 3HG ARG 3 -0.332 8.736 -10.195 21 HD2 ARG 3 2HD ARG 3 0.870 6.618 -10.891 22 HD3 ARG 3 3HD ARG 3 -0.627 5.734 -10.569 23 HE ARG 3 HE ARG 3 -0.502 7.953 -12.527 24 HH11 ARG 3 1HH1 ARG 3 -1.359 4.612 -11.819 25 HH12 ARG 3 2HH1 ARG 3 -2.106 4.354 -13.363 26 HH21 ARG 3 1HH2 ARG 3 -1.489 7.612 -14.533 27 HH22 ARG 3 2HH2 ARG 3 -2.180 6.064 -14.903 28 H LEU 4 H LEU 4 -1.772 7.730 -5.382 29 HA LEU 4 HA LEU 4 0.502 7.179 -3.559 30 HB2 LEU 4 2HB LEU 4 -1.092 8.923 -2.785 31 HB3 LEU 4 3HB LEU 4 -2.435 7.819 -3.015 32 HG LEU 4 HG LEU 4 -1.469 6.354 -1.191 33 HD11 LEU 4 1HD1 LEU 4 0.869 7.041 -1.284 34 HD12 LEU 4 2HD1 LEU 4 0.218 7.287 0.333 35 HD13 LEU 4 3HD1 LEU 4 0.442 8.667 -0.744 36 HD21 LEU 4 3HD2 LEU 4 -2.239 7.778 0.660 37 HD22 LEU 4 1HD2 LEU 4 -3.309 7.910 -0.736 38 HD23 LEU 4 2HD2 LEU 4 -2.157 9.201 -0.382 39 H VAL 5 H VAL 5 0.817 5.002 -3.092 40 HA VAL 5 HA VAL 5 -1.169 3.048 -4.092 41 HB VAL 5 HB VAL 5 1.715 2.614 -3.146 42 HG11 VAL 5 1HG1 VAL 5 0.354 0.615 -2.635 43 HG12 VAL 5 2HG1 VAL 5 1.485 0.278 -3.945 44 HG13 VAL 5 3HG1 VAL 5 -0.220 0.562 -4.305 45 HG21 VAL 5 3HG2 VAL 5 1.573 3.738 -5.338 46 HG22 VAL 5 1HG2 VAL 5 0.538 2.443 -5.946 47 HG23 VAL 5 2HG2 VAL 5 2.214 2.104 -5.505 48 H VAL 6 H VAL 6 -2.455 1.971 -2.697 49 HA VAL 6 HA VAL 6 -1.789 1.884 0.185 50 HB VAL 6 HB VAL 6 -4.550 1.690 -1.118 51 HG11 VAL 6 1HG1 VAL 6 -4.427 0.411 0.964 52 HG12 VAL 6 2HG1 VAL 6 -5.386 1.866 1.224 53 HG13 VAL 6 3HG1 VAL 6 -3.727 1.793 1.813 54 HG21 VAL 6 3HG2 VAL 6 -4.975 3.936 -0.153 55 HG22 VAL 6 1HG2 VAL 6 -3.672 3.972 -1.344 56 HG23 VAL 6 2HG2 VAL 6 -3.295 4.028 0.380 57 H VAL 7 H VAL 7 -0.981 -0.056 0.615 58 HA VAL 7 HA VAL 7 -1.729 -2.467 -0.871 59 HB VAL 7 HB VAL 7 0.423 -1.993 1.249 60 HG11 VAL 7 1HG1 VAL 7 -0.026 -4.440 -0.500 61 HG12 VAL 7 2HG1 VAL 7 -0.257 -4.347 1.247 62 HG13 VAL 7 3HG1 VAL 7 1.359 -4.176 0.560 63 HG21 VAL 7 3HG2 VAL 7 0.865 -0.738 -0.820 64 HG22 VAL 7 1HG2 VAL 7 0.699 -2.218 -1.775 65 HG23 VAL 7 2HG2 VAL 7 2.026 -2.050 -0.622 66 H VAL 8 H VAL 8 -3.253 -3.759 -0.070 67 HA VAL 8 HA VAL 8 -4.003 -3.675 2.807 68 HB VAL 8 HB VAL 8 -6.331 -4.295 2.021 69 HG11 VAL 8 1HG1 VAL 8 -5.291 -1.630 0.957 70 HG12 VAL 8 2HG1 VAL 8 -5.815 -1.956 2.611 71 HG13 VAL 8 3HG1 VAL 8 -6.983 -2.019 1.292 72 HG21 VAL 8 3HG2 VAL 8 -5.790 -5.248 -0.176 73 HG22 VAL 8 1HG2 VAL 8 -5.211 -3.681 -0.752 74 HG23 VAL 8 2HG2 VAL 8 -6.918 -3.911 -0.379 75 H THR 9 H THR 9 -4.324 -5.668 3.810 76 HA THR 9 HA THR 9 -3.367 -8.040 2.333 77 HB THR 9 HB THR 9 -3.100 -8.962 4.739 78 HG1 THR 9 HG1 THR 9 -2.823 -6.519 5.865 79 HG21 THR 9 3HG2 THR 9 -0.962 -7.797 5.094 80 HG22 THR 9 1HG2 THR 9 -1.441 -6.528 3.960 81 HG23 THR 9 2HG2 THR 9 -1.172 -8.177 3.384 82 H SER 10 H SER 10 -6.322 -6.769 2.969 83 HA SER 10 HA SER 10 -7.599 -9.433 3.058 84 HB2 SER 10 2HB SER 10 -7.716 -8.607 5.374 85 HB3 SER 10 3HB SER 10 -8.393 -7.072 4.834 86 HG SER 10 HG SER 10 -9.696 -9.253 5.494 87 H GLU 11 H GLU 11 -9.470 -9.588 1.853 88 HA GLU 11 HA GLU 11 -10.226 -7.767 -0.139 89 HB2 GLU 11 2HB GLU 11 -11.629 -10.101 1.201 90 HB3 GLU 11 3HB GLU 11 -12.491 -9.133 0.013 91 HG2 GLU 11 2HG GLU 11 -9.825 -10.436 -0.593 92 HG3 GLU 11 3HG GLU 11 -11.361 -11.268 -0.817 93 H GLN 12 H GLN 12 -11.342 -8.171 3.175 94 HA GLN 12 HA GLN 12 -13.524 -6.411 3.233 95 HB2 GLN 12 2HB GLN 12 -11.529 -6.940 5.484 96 HB3 GLN 12 3HB GLN 12 -13.166 -6.322 5.675 97 HG2 GLN 12 2HG GLN 12 -14.072 -8.472 4.881 98 HG3 GLN 12 3HG GLN 12 -12.437 -9.091 4.667 99 HE21 GLN 12 1HE2 GLN 12 -11.441 -7.866 7.183 100 HE22 GLN 12 2HE2 GLN 12 -12.101 -8.829 8.451 101 H LEU 13 H LEU 13 -10.065 -5.849 3.836 102 HA LEU 13 HA LEU 13 -10.209 -3.037 4.309 103 HB2 LEU 13 2HB LEU 13 -7.875 -4.838 3.516 104 HB3 LEU 13 3HB LEU 13 -7.695 -3.145 3.953 105 HG LEU 13 HG LEU 13 -8.704 -5.344 5.803 106 HD11 LEU 13 1HD1 LEU 13 -6.049 -3.862 5.804 107 HD12 LEU 13 2HD1 LEU 13 -6.302 -5.550 5.351 108 HD13 LEU 13 3HD1 LEU 13 -6.582 -5.034 7.013 109 HD21 LEU 13 3HD2 LEU 13 -9.777 -3.202 6.312 110 HD22 LEU 13 1HD2 LEU 13 -8.203 -2.401 6.380 111 HD23 LEU 13 2HD2 LEU 13 -8.628 -3.631 7.573 112 H LYS 14 H LYS 14 -9.746 -5.029 1.447 113 HA LYS 14 HA LYS 14 -8.647 -3.086 -0.274 114 HB2 LYS 14 2HB LYS 14 -8.479 -5.520 -0.711 115 HB3 LYS 14 3HB LYS 14 -10.221 -5.606 -0.978 116 HG2 LYS 14 2HG LYS 14 -9.970 -4.053 -2.918 117 HG3 LYS 14 3HG LYS 14 -8.220 -4.057 -2.667 118 HD2 LYS 14 2HD LYS 14 -8.110 -6.448 -3.173 119 HD3 LYS 14 3HD LYS 14 -9.873 -6.542 -3.273 120 HE2 LYS 14 2HE LYS 14 -9.839 -5.010 -5.215 121 HE3 LYS 14 3HE LYS 14 -8.079 -4.935 -5.121 122 HZ1 LYS 14 3HZ LYS 14 -9.722 -7.325 -5.725 123 HZ2 LYS 14 1HZ LYS 14 -8.050 -7.355 -5.492 124 HZ3 LYS 14 2HZ LYS 14 -8.709 -6.490 -6.784 125 H GLU 15 H GLU 15 -11.949 -4.446 -0.204 126 HA GLU 15 HA GLU 15 -13.103 -2.707 -2.077 127 HB2 GLU 15 2HB GLU 15 -15.270 -3.543 -1.255 128 HB3 GLU 15 3HB GLU 15 -14.111 -4.856 -1.421 129 HG2 GLU 15 2HG GLU 15 -13.693 -4.710 1.066 130 HG3 GLU 15 3HG GLU 15 -15.004 -3.539 1.162 131 H GLU 16 H GLU 16 -12.623 -2.430 1.382 132 HA GLU 16 HA GLU 16 -14.290 -0.263 1.977 133 HB2 GLU 16 2HB GLU 16 -13.216 -1.730 3.663 134 HB3 GLU 16 3HB GLU 16 -11.641 -1.083 3.223 135 HG2 GLU 16 2HG GLU 16 -12.319 -0.053 5.274 136 HG3 GLU 16 3HG GLU 16 -12.374 1.164 4.007 137 H VAL 17 H VAL 17 -10.742 -0.246 1.389 138 HA VAL 17 HA VAL 17 -10.439 2.547 1.383 139 HB VAL 17 HB VAL 17 -8.656 0.406 0.137 140 HG11 VAL 17 1HG1 VAL 17 -8.158 2.602 -0.876 141 HG12 VAL 17 2HG1 VAL 17 -6.840 2.072 0.160 142 HG13 VAL 17 3HG1 VAL 17 -7.958 3.311 0.731 143 HG21 VAL 17 3HG2 VAL 17 -7.289 0.627 2.180 144 HG22 VAL 17 1HG2 VAL 17 -8.939 0.152 2.585 145 HG23 VAL 17 2HG2 VAL 17 -8.417 1.822 2.827 146 H ARG 18 H ARG 18 -11.030 0.282 -1.329 147 HA ARG 18 HA ARG 18 -10.718 2.219 -3.394 148 HB2 ARG 18 2HB ARG 18 -12.295 -0.387 -3.471 149 HB3 ARG 18 3HB ARG 18 -11.787 0.554 -4.871 150 HG2 ARG 18 2HG ARG 18 -9.383 0.155 -4.100 151 HG3 ARG 18 3HG ARG 18 -10.041 -1.005 -2.948 152 HD2 ARG 18 2HD ARG 18 -10.190 -1.123 -5.970 153 HD3 ARG 18 3HD ARG 18 -9.289 -2.195 -4.901 154 HE ARG 18 HE ARG 18 -11.545 -2.944 -4.048 155 HH11 ARG 18 1HH1 ARG 18 -11.178 -1.697 -7.327 156 HH12 ARG 18 2HH1 ARG 18 -12.526 -2.597 -7.946 157 HH21 ARG 18 1HH2 ARG 18 -13.286 -4.145 -4.905 158 HH22 ARG 18 2HH2 ARG 18 -13.717 -3.981 -6.576 159 H LYS 19 H LYS 19 -13.468 1.203 -1.421 160 HA LYS 19 HA LYS 19 -15.559 2.400 -2.943 161 HB2 LYS 19 2HB LYS 19 -15.821 0.621 -1.131 162 HB3 LYS 19 3HB LYS 19 -15.536 1.875 0.066 163 HG2 LYS 19 2HG LYS 19 -17.896 1.517 -0.066 164 HG3 LYS 19 3HG LYS 19 -17.568 3.080 -0.822 165 HD2 LYS 19 2HD LYS 19 -17.722 2.033 -3.061 166 HD3 LYS 19 3HD LYS 19 -18.002 0.458 -2.314 167 HE2 LYS 19 2HE LYS 19 -20.103 1.332 -1.313 168 HE3 LYS 19 3HE LYS 19 -19.826 2.879 -2.118 169 HZ1 LYS 19 3HZ LYS 19 -21.346 1.536 -3.380 170 HZ2 LYS 19 1HZ LYS 19 -20.243 0.259 -3.448 171 HZ3 LYS 19 2HZ LYS 19 -19.910 1.710 -4.248 172 H LYS 20 H LYS 20 -13.701 3.431 -0.119 173 HA LYS 20 HA LYS 20 -14.842 6.030 0.168 174 HB2 LYS 20 2HB LYS 20 -12.212 4.857 1.184 175 HB3 LYS 20 3HB LYS 20 -12.900 6.387 1.717 176 HG2 LYS 20 2HG LYS 20 -14.816 5.239 2.713 177 HG3 LYS 20 3HG LYS 20 -14.254 3.689 2.076 178 HD2 LYS 20 2HD LYS 20 -13.697 3.879 4.457 179 HD3 LYS 20 3HD LYS 20 -12.224 3.835 3.487 180 HE2 LYS 20 2HE LYS 20 -12.073 5.508 5.292 181 HE3 LYS 20 3HE LYS 20 -11.993 6.274 3.706 182 HZ1 LYS 20 3HZ LYS 20 -13.420 7.475 5.258 183 HZ2 LYS 20 1HZ LYS 20 -14.430 6.126 5.403 184 HZ3 LYS 20 2HZ LYS 20 -14.290 6.929 3.917 185 H PHE 21 H PHE 21 -11.904 4.763 -1.379 186 HA PHE 21 HA PHE 21 -11.281 7.379 -2.605 187 HB2 PHE 21 2HB PHE 21 -9.173 5.491 -1.465 188 HB3 PHE 21 3HB PHE 21 -8.905 7.085 -2.160 189 HD1 PHE 21 HD1 PHE 21 -9.980 9.111 -0.919 190 HD2 PHE 21 HD2 PHE 21 -9.436 5.262 0.870 191 HE1 PHE 21 HE1 PHE 21 -10.146 10.111 1.324 192 HE2 PHE 21 HE2 PHE 21 -9.603 6.280 3.099 193 HZ PHE 21 HZ PHE 21 -9.945 8.685 3.328 194 HA PRO 22 HA PRO 22 -11.122 4.177 -5.957 195 HB2 PRO 22 2HB PRO 22 -12.370 6.123 -7.750 196 HB3 PRO 22 3HB PRO 22 -13.080 4.649 -7.066 197 HG2 PRO 22 2HG PRO 22 -13.912 7.192 -6.405 198 HG3 PRO 22 3HG PRO 22 -14.120 5.772 -5.355 199 HD2 PRO 22 2HD PRO 22 -11.999 7.917 -5.234 200 HD3 PRO 22 3HD PRO 22 -12.919 7.150 -3.911 201 H GLN 23 H GLN 23 -9.585 7.157 -5.462 202 HA GLN 23 HA GLN 23 -8.319 7.403 -8.070 203 HB2 GLN 23 2HB GLN 23 -7.318 9.431 -7.283 204 HB3 GLN 23 3HB GLN 23 -8.970 9.426 -6.696 205 HG2 GLN 23 2HG GLN 23 -6.759 8.474 -4.873 206 HG3 GLN 23 3HG GLN 23 -6.981 10.195 -5.139 207 HE21 GLN 23 1HE2 GLN 23 -7.361 10.312 -2.862 208 HE22 GLN 23 2HE2 GLN 23 -8.911 9.925 -2.207 209 H VAL 24 H VAL 24 -7.534 6.075 -4.925 210 HA VAL 24 HA VAL 24 -4.663 6.196 -5.297 211 HB VAL 24 HB VAL 24 -4.515 5.032 -3.090 212 HG11 VAL 24 1HG1 VAL 24 -6.335 7.475 -3.078 213 HG12 VAL 24 2HG1 VAL 24 -4.571 7.486 -3.157 214 HG13 VAL 24 3HG1 VAL 24 -5.382 6.886 -1.711 215 HG21 VAL 24 3HG2 VAL 24 -7.561 5.106 -3.121 216 HG22 VAL 24 1HG2 VAL 24 -6.561 4.674 -1.728 217 HG23 VAL 24 2HG2 VAL 24 -6.547 3.663 -3.173 218 H GLU 25 H GLU 25 -3.250 4.475 -5.585 219 HA GLU 25 HA GLU 25 -4.236 2.285 -7.187 220 HB2 GLU 25 2HB GLU 25 -1.374 2.619 -6.174 221 HB3 GLU 25 3HB GLU 25 -1.915 1.800 -7.634 222 HG2 GLU 25 2HG GLU 25 -1.991 4.795 -7.164 223 HG3 GLU 25 3HG GLU 25 -0.758 3.940 -8.083 224 H VAL 26 H VAL 26 -5.352 0.816 -5.926 225 HA VAL 26 HA VAL 26 -4.269 -0.042 -3.337 226 HB VAL 26 HB VAL 26 -6.968 -0.718 -4.613 227 HG11 VAL 26 1HG1 VAL 26 -7.605 -1.537 -2.359 228 HG12 VAL 26 2HG1 VAL 26 -5.971 -1.216 -1.771 229 HG13 VAL 26 3HG1 VAL 26 -6.238 -2.451 -3.003 230 HG21 VAL 26 3HG2 VAL 26 -7.925 0.903 -3.013 231 HG22 VAL 26 1HG2 VAL 26 -6.771 1.688 -4.094 232 HG23 VAL 26 2HG2 VAL 26 -6.306 1.305 -2.434 233 H ARG 27 H ARG 27 -3.450 -2.027 -3.007 234 HA ARG 27 HA ARG 27 -3.489 -4.055 -5.152 235 HB2 ARG 27 2HB ARG 27 -1.115 -2.642 -3.948 236 HB3 ARG 27 3HB ARG 27 -0.942 -4.377 -4.142 237 HG2 ARG 27 2HG ARG 27 -1.634 -2.467 -6.405 238 HG3 ARG 27 3HG ARG 27 -0.013 -3.077 -6.048 239 HD2 ARG 27 2HD ARG 27 -0.938 -5.423 -6.324 240 HD3 ARG 27 3HD ARG 27 -2.435 -4.692 -6.908 241 HE ARG 27 HE ARG 27 -0.450 -3.634 -8.498 242 HH11 ARG 27 1HH1 ARG 27 -1.618 -6.890 -7.801 243 HH12 ARG 27 2HH1 ARG 27 -1.160 -7.514 -9.351 244 HH21 ARG 27 1HH2 ARG 27 0.194 -4.495 -10.509 245 HH22 ARG 27 2HH2 ARG 27 -0.134 -6.154 -10.884 246 H LEU 28 H LEU 28 -4.254 -5.904 -4.339 247 HA LEU 28 HA LEU 28 -4.416 -6.371 -1.474 248 HB2 LEU 28 2HB LEU 28 -6.332 -6.979 -2.921 249 HB3 LEU 28 3HB LEU 28 -5.315 -8.089 -3.830 250 HG LEU 28 HG LEU 28 -4.971 -9.403 -1.660 251 HD11 LEU 28 1HD1 LEU 28 -6.560 -9.088 0.174 252 HD12 LEU 28 2HD1 LEU 28 -7.211 -7.652 -0.620 253 HD13 LEU 28 3HD1 LEU 28 -5.539 -7.667 -0.054 254 HD21 LEU 28 3HD2 LEU 28 -7.121 -10.574 -1.768 255 HD22 LEU 28 1HD2 LEU 28 -6.503 -10.207 -3.378 256 HD23 LEU 28 2HD2 LEU 28 -7.813 -9.241 -2.696 257 H VAL 29 H VAL 29 -3.047 -7.641 -0.350 258 HA VAL 29 HA VAL 29 -1.194 -9.451 -1.731 259 HB VAL 29 HB VAL 29 -0.496 -7.636 0.628 260 HG11 VAL 29 1HG1 VAL 29 0.653 -9.805 0.820 261 HG12 VAL 29 2HG1 VAL 29 1.802 -8.528 0.426 262 HG13 VAL 29 3HG1 VAL 29 1.268 -9.650 -0.829 263 HG21 VAL 29 3HG2 VAL 29 -0.552 -6.376 -1.484 264 HG22 VAL 29 1HG2 VAL 29 0.531 -7.549 -2.241 265 HG23 VAL 29 2HG2 VAL 29 1.107 -6.542 -0.909 266 H THR 30 H THR 30 -2.104 -11.334 -1.255 267 HA THR 30 HA THR 30 -2.644 -12.039 1.572 268 HB THR 30 HB THR 30 -3.795 -14.064 0.604 269 HG1 THR 30 HG1 THR 30 -3.376 -14.479 -1.416 270 HG21 THR 30 3HG2 THR 30 -5.150 -12.067 1.173 271 HG22 THR 30 1HG2 THR 30 -5.806 -12.901 -0.241 272 HG23 THR 30 2HG2 THR 30 -4.878 -11.416 -0.443 273 H THR 31 H THR 31 -0.644 -12.644 -1.215 274 HA THR 31 HA THR 31 1.054 -14.566 0.276 275 HB THR 31 HB THR 31 1.548 -15.709 -1.863 276 HG1 THR 31 HG1 THR 31 -0.459 -14.028 -3.001 277 HG21 THR 31 3HG2 THR 31 -0.624 -16.836 -2.265 278 HG22 THR 31 1HG2 THR 31 -1.452 -15.563 -1.363 279 HG23 THR 31 2HG2 THR 31 -0.323 -16.639 -0.537 280 H GLU 32 H GLU 32 3.324 -14.642 -0.748 281 HA GLU 32 HA GLU 32 4.518 -12.077 -0.665 282 HB2 GLU 32 2HB GLU 32 5.653 -14.236 -0.041 283 HB3 GLU 32 3HB GLU 32 5.728 -14.654 -1.751 284 HG2 GLU 32 2HG GLU 32 7.018 -12.419 -2.045 285 HG3 GLU 32 3HG GLU 32 7.198 -12.441 -0.291 286 H GLU 33 H GLU 33 3.485 -14.138 -3.328 287 HA GLU 33 HA GLU 33 4.801 -12.940 -5.483 288 HB2 GLU 33 2HB GLU 33 2.074 -14.303 -5.441 289 HB3 GLU 33 3HB GLU 33 2.974 -13.911 -6.903 290 HG2 GLU 33 2HG GLU 33 3.795 -15.866 -4.738 291 HG3 GLU 33 3HG GLU 33 3.270 -16.252 -6.376 292 H ASP 34 H ASP 34 1.859 -12.004 -3.821 293 HA ASP 34 HA ASP 34 1.030 -9.966 -5.641 294 HB2 ASP 34 2HB ASP 34 0.432 -10.327 -2.683 295 HB3 ASP 34 3HB ASP 34 -0.395 -9.193 -3.744 296 H ALA 35 H ALA 35 2.943 -9.994 -2.629 297 HA ALA 35 HA ALA 35 3.415 -7.230 -2.383 298 HB1 ALA 35 3HB ALA 35 5.200 -9.527 -1.516 299 HB2 ALA 35 1HB ALA 35 3.876 -8.835 -0.584 300 HB3 ALA 35 2HB ALA 35 5.306 -7.861 -0.939 301 H LYS 36 H LYS 36 5.114 -9.718 -4.229 302 HA LYS 36 HA LYS 36 7.236 -8.154 -5.242 303 HB2 LYS 36 2HB LYS 36 5.860 -10.651 -6.311 304 HB3 LYS 36 3HB LYS 36 7.339 -9.984 -6.998 305 HG2 LYS 36 2HG LYS 36 8.615 -10.488 -5.049 306 HG3 LYS 36 3HG LYS 36 7.170 -10.757 -4.072 307 HD2 LYS 36 2HD LYS 36 8.305 -12.886 -4.643 308 HD3 LYS 36 3HD LYS 36 6.670 -12.814 -5.298 309 HE2 LYS 36 2HE LYS 36 7.567 -12.285 -7.528 310 HE3 LYS 36 3HE LYS 36 9.209 -12.282 -6.881 311 HZ1 LYS 36 3HZ LYS 36 8.669 -14.365 -7.976 312 HZ2 LYS 36 1HZ LYS 36 7.384 -14.627 -6.914 313 HZ3 LYS 36 2HZ LYS 36 8.971 -14.614 -6.335 314 H GLN 37 H GLN 37 3.937 -8.808 -6.465 315 HA GLN 37 HA GLN 37 4.106 -7.339 -8.877 316 HB2 GLN 37 2HB GLN 37 1.700 -7.872 -7.083 317 HB3 GLN 37 3HB GLN 37 1.580 -7.125 -8.670 318 HG2 GLN 37 2HG GLN 37 2.507 -9.202 -9.686 319 HG3 GLN 37 3HG GLN 37 2.546 -9.941 -8.086 320 HE21 GLN 37 1HE2 GLN 37 0.563 -10.524 -7.093 321 HE22 GLN 37 2HE2 GLN 37 -0.908 -10.643 -7.984 322 H VAL 38 H VAL 38 3.399 -6.331 -5.541 323 HA VAL 38 HA VAL 38 2.709 -3.643 -6.057 324 HB VAL 38 HB VAL 38 3.965 -4.857 -3.547 325 HG11 VAL 38 1HG1 VAL 38 2.515 -2.199 -3.864 326 HG12 VAL 38 2HG1 VAL 38 4.239 -2.411 -3.549 327 HG13 VAL 38 3HG1 VAL 38 3.055 -2.901 -2.338 328 HG21 VAL 38 3HG2 VAL 38 1.650 -4.920 -2.669 329 HG22 VAL 38 1HG2 VAL 38 1.829 -5.919 -4.110 330 HG23 VAL 38 2HG2 VAL 38 1.046 -4.345 -4.225 331 H ILE 39 H ILE 39 5.838 -5.155 -5.213 332 HA ILE 39 HA ILE 39 7.519 -2.953 -5.096 333 HB ILE 39 HB ILE 39 8.074 -5.783 -6.096 334 HG12 ILE 39 2HG1 ILE 39 8.692 -4.452 -3.412 335 HG13 ILE 39 3HG1 ILE 39 7.396 -5.602 -3.709 336 HG21 ILE 39 1HG2 ILE 39 10.134 -3.643 -5.455 337 HG22 ILE 39 2HG2 ILE 39 9.782 -4.304 -7.053 338 HG23 ILE 39 3HG2 ILE 39 10.487 -5.336 -5.810 339 HD11 ILE 39 3HD1 ILE 39 9.082 -7.322 -4.245 340 HD12 ILE 39 1HD1 ILE 39 9.220 -6.690 -2.605 341 HD13 ILE 39 2HD1 ILE 39 10.353 -6.162 -3.846 342 H LYS 40 H LYS 40 6.670 -4.910 -7.940 343 HA LYS 40 HA LYS 40 8.052 -3.444 -9.920 344 HB2 LYS 40 2HB LYS 40 5.534 -5.152 -10.140 345 HB3 LYS 40 3HB LYS 40 6.499 -4.618 -11.512 346 HG2 LYS 40 2HG LYS 40 8.393 -5.975 -10.752 347 HG3 LYS 40 3HG LYS 40 7.505 -6.433 -9.292 348 HD2 LYS 40 2HD LYS 40 5.760 -7.512 -10.748 349 HD3 LYS 40 3HD LYS 40 6.760 -7.153 -12.162 350 HE2 LYS 40 2HE LYS 40 7.623 -8.865 -9.810 351 HE3 LYS 40 3HE LYS 40 7.016 -9.488 -11.342 352 HZ1 LYS 40 3HZ LYS 40 9.458 -7.834 -11.029 353 HZ2 LYS 40 1HZ LYS 40 8.904 -8.526 -12.464 354 HZ3 LYS 40 2HZ LYS 40 9.440 -9.510 -11.201 355 H GLU 41 H GLU 41 4.745 -3.244 -8.664 356 HA GLU 41 HA GLU 41 3.539 -1.612 -10.572 357 HB2 GLU 41 2HB GLU 41 2.429 -2.997 -8.760 358 HB3 GLU 41 3HB GLU 41 2.903 -1.773 -7.592 359 HG2 GLU 41 2HG GLU 41 0.592 -1.449 -8.147 360 HG3 GLU 41 3HG GLU 41 1.521 -0.113 -8.827 361 H ILE 42 H ILE 42 4.922 -0.737 -7.431 362 HA ILE 42 HA ILE 42 4.469 1.990 -7.331 363 HB ILE 42 HB ILE 42 6.833 0.435 -6.167 364 HG12 ILE 42 2HG1 ILE 42 4.240 1.184 -4.725 365 HG13 ILE 42 3HG1 ILE 42 4.490 -0.381 -5.487 366 HG21 ILE 42 1HG2 ILE 42 7.279 2.843 -6.144 367 HG22 ILE 42 2HG2 ILE 42 6.977 2.274 -4.501 368 HG23 ILE 42 3HG2 ILE 42 5.718 3.147 -5.377 369 HD11 ILE 42 3HD1 ILE 42 6.356 -0.838 -3.981 370 HD12 ILE 42 1HD1 ILE 42 4.881 -0.473 -3.088 371 HD13 ILE 42 2HD1 ILE 42 6.149 0.745 -3.226 372 H GLN 43 H GLN 43 7.465 0.307 -8.359 373 HA GLN 43 HA GLN 43 8.919 2.681 -8.955 374 HB2 GLN 43 2HB GLN 43 9.486 -0.136 -9.962 375 HB3 GLN 43 3HB GLN 43 10.638 1.191 -9.853 376 HG2 GLN 43 2HG GLN 43 10.569 1.112 -7.422 377 HG3 GLN 43 3HG GLN 43 9.278 -0.091 -7.465 378 HE21 GLN 43 1HE2 GLN 43 10.347 -1.711 -6.433 379 HE22 GLN 43 2HE2 GLN 43 11.754 -2.501 -7.044 380 H LYS 44 H LYS 44 7.054 0.411 -10.908 381 HA LYS 44 HA LYS 44 7.741 1.214 -13.499 382 HB2 LYS 44 2HB LYS 44 6.466 -0.860 -12.935 383 HB3 LYS 44 3HB LYS 44 5.067 0.117 -12.513 384 HG2 LYS 44 2HG LYS 44 4.742 -0.858 -14.707 385 HG3 LYS 44 3HG LYS 44 4.917 0.890 -14.873 386 HD2 LYS 44 2HD LYS 44 7.281 0.582 -15.573 387 HD3 LYS 44 3HD LYS 44 7.104 -1.168 -15.400 388 HE2 LYS 44 2HE LYS 44 6.917 -0.541 -17.749 389 HE3 LYS 44 3HE LYS 44 5.359 -1.138 -17.178 390 HZ1 LYS 44 3HZ LYS 44 4.617 1.144 -16.952 391 HZ2 LYS 44 1HZ LYS 44 5.122 0.842 -18.535 392 HZ3 LYS 44 2HZ LYS 44 6.109 1.721 -17.481 393 H LYS 45 H LYS 45 5.191 2.397 -11.313 394 HA LYS 45 HA LYS 45 4.461 4.556 -13.169 395 HB2 LYS 45 2HB LYS 45 3.362 3.789 -10.443 396 HB3 LYS 45 3HB LYS 45 2.703 5.065 -11.472 397 HG2 LYS 45 2HG LYS 45 2.165 3.410 -13.218 398 HG3 LYS 45 3HG LYS 45 2.871 2.123 -12.240 399 HD2 LYS 45 2HD LYS 45 0.394 3.757 -11.565 400 HD3 LYS 45 3HD LYS 45 0.436 2.069 -12.079 401 HE2 LYS 45 2HE LYS 45 1.935 1.710 -9.952 402 HE3 LYS 45 3HE LYS 45 1.268 3.260 -9.428 403 HZ1 LYS 45 3HZ LYS 45 -0.958 2.298 -9.739 404 HZ2 LYS 45 1HZ LYS 45 -0.053 1.466 -8.579 405 HZ3 LYS 45 2HZ LYS 45 -0.266 0.825 -10.144 406 H GLY 46 H GLY 46 6.691 4.115 -10.638 407 HA2 GLY 46 2HA GLY 46 8.231 5.543 -9.695 408 HA3 GLY 46 3HA GLY 46 7.663 6.800 -10.781 409 H VAL 47 H VAL 47 6.093 4.954 -8.183 410 HA VAL 47 HA VAL 47 4.649 7.267 -7.227 411 HB VAL 47 HB VAL 47 4.768 4.420 -6.135 412 HG11 VAL 47 1HG1 VAL 47 2.836 6.658 -5.432 413 HG12 VAL 47 2HG1 VAL 47 4.062 5.969 -4.368 414 HG13 VAL 47 3HG1 VAL 47 2.697 4.985 -4.891 415 HG21 VAL 47 3HG2 VAL 47 2.597 4.095 -7.253 416 HG22 VAL 47 1HG2 VAL 47 3.860 4.506 -8.415 417 HG23 VAL 47 2HG2 VAL 47 2.683 5.727 -7.918 418 H GLN 48 H GLN 48 5.186 8.499 -5.515 419 HA GLN 48 HA GLN 48 7.855 8.368 -4.461 420 HB2 GLN 48 2HB GLN 48 6.686 10.503 -5.059 421 HB3 GLN 48 3HB GLN 48 5.559 10.242 -3.735 422 HG2 GLN 48 2HG GLN 48 7.271 11.890 -3.130 423 HG3 GLN 48 3HG GLN 48 7.392 10.455 -2.109 424 HE21 GLN 48 1HE2 GLN 48 9.561 10.992 -1.605 425 HE22 GLN 48 2HE2 GLN 48 10.847 10.727 -2.730 426 H LYS 49 H LYS 49 4.589 8.188 -2.983 427 HA LYS 49 HA LYS 49 5.800 7.018 -0.531 428 HB2 LYS 49 2HB LYS 49 3.399 8.900 -0.646 429 HB3 LYS 49 3HB LYS 49 4.148 8.226 0.803 430 HG2 LYS 49 2HG LYS 49 6.270 9.458 0.193 431 HG3 LYS 49 3HG LYS 49 5.378 10.238 -1.114 432 HD2 LYS 49 2HD LYS 49 4.785 10.458 1.858 433 HD3 LYS 49 3HD LYS 49 5.511 11.705 0.844 434 HE2 LYS 49 2HE LYS 49 3.438 11.962 -0.412 435 HE3 LYS 49 3HE LYS 49 2.707 10.597 0.440 436 HZ1 LYS 49 3HZ LYS 49 2.872 11.845 2.502 437 HZ2 LYS 49 1HZ LYS 49 1.982 12.708 1.350 438 HZ3 LYS 49 2HZ LYS 49 3.575 13.147 1.685 439 H VAL 50 H VAL 50 4.817 5.253 0.326 440 HA VAL 50 HA VAL 50 2.364 4.176 -0.937 441 HB VAL 50 HB VAL 50 4.955 2.663 -0.323 442 HG11 VAL 50 1HG1 VAL 50 2.336 1.539 -1.400 443 HG12 VAL 50 2HG1 VAL 50 3.040 1.203 0.182 444 HG13 VAL 50 3HG1 VAL 50 3.859 0.653 -1.280 445 HG21 VAL 50 3HG2 VAL 50 5.081 2.298 -2.752 446 HG22 VAL 50 1HG2 VAL 50 5.060 4.021 -2.381 447 HG23 VAL 50 2HG2 VAL 50 3.604 3.230 -2.990 448 H VAL 51 H VAL 51 1.035 3.031 0.427 449 HA VAL 51 HA VAL 51 1.495 3.255 3.327 450 HB VAL 51 HB VAL 51 -1.181 2.826 1.907 451 HG11 VAL 51 1HG1 VAL 51 -1.167 2.226 4.284 452 HG12 VAL 51 2HG1 VAL 51 -2.165 3.652 4.007 453 HG13 VAL 51 3HG1 VAL 51 -0.556 3.830 4.709 454 HG21 VAL 51 3HG2 VAL 51 -0.268 4.942 1.069 455 HG22 VAL 51 1HG2 VAL 51 -0.014 5.513 2.724 456 HG23 VAL 51 2HG2 VAL 51 -1.652 5.231 2.126 457 H LEU 52 H LEU 52 1.500 1.372 4.508 458 HA LEU 52 HA LEU 52 0.758 -1.189 3.225 459 HB2 LEU 52 2HB LEU 52 2.843 -0.603 5.374 460 HB3 LEU 52 3HB LEU 52 2.438 -2.204 4.776 461 HG LEU 52 HG LEU 52 3.713 0.017 3.115 462 HD11 LEU 52 1HD1 LEU 52 5.269 -0.896 4.783 463 HD12 LEU 52 2HD1 LEU 52 5.749 -1.336 3.147 464 HD13 LEU 52 3HD1 LEU 52 4.967 -2.531 4.187 465 HD21 LEU 52 3HD2 LEU 52 3.101 -2.857 2.353 466 HD22 LEU 52 1HD2 LEU 52 4.028 -1.711 1.379 467 HD23 LEU 52 2HD2 LEU 52 2.326 -1.407 1.711 468 H VAL 53 H VAL 53 -1.311 -1.386 3.924 469 HA VAL 53 HA VAL 53 -2.163 -0.801 6.632 470 HB VAL 53 HB VAL 53 -3.826 -2.091 4.418 471 HG11 VAL 53 1HG1 VAL 53 -4.685 -0.554 6.905 472 HG12 VAL 53 2HG1 VAL 53 -4.810 -2.299 6.664 473 HG13 VAL 53 3HG1 VAL 53 -5.768 -1.204 5.669 474 HG21 VAL 53 3HG2 VAL 53 -2.932 0.036 3.563 475 HG22 VAL 53 1HG2 VAL 53 -3.553 0.886 4.981 476 HG23 VAL 53 2HG2 VAL 53 -4.671 0.146 3.834 477 H GLY 54 H GLY 54 -1.157 -2.256 7.921 478 HA2 GLY 54 2HA GLY 54 -0.972 -4.100 9.234 479 HA3 GLY 54 3HA GLY 54 -2.484 -4.645 8.528 480 H VAL 55 H VAL 55 0.874 -4.235 7.357 481 HA VAL 55 HA VAL 55 0.796 -6.944 6.166 482 HB VAL 55 HB VAL 55 2.701 -6.320 4.815 483 HG11 VAL 55 1HG1 VAL 55 0.667 -4.055 4.767 484 HG12 VAL 55 2HG1 VAL 55 0.526 -5.607 3.939 485 HG13 VAL 55 3HG1 VAL 55 1.782 -4.466 3.460 486 HG21 VAL 55 3HG2 VAL 55 3.800 -4.088 4.919 487 HG22 VAL 55 1HG2 VAL 55 4.009 -5.004 6.414 488 HG23 VAL 55 2HG2 VAL 55 2.838 -3.687 6.346 489 H SER 56 H SER 56 2.879 -8.210 6.311 490 HA SER 56 HA SER 56 3.863 -8.437 8.999 491 HB2 SER 56 2HB SER 56 3.610 -10.447 7.604 492 HB3 SER 56 3HB SER 56 4.717 -9.791 6.400 493 HG SER 56 HG SER 56 5.263 -10.798 8.976 494 H GLU 57 H GLU 57 6.140 -8.284 9.598 495 HA GLU 57 HA GLU 57 7.509 -5.933 8.806 496 HB2 GLU 57 2HB GLU 57 8.682 -8.367 10.219 497 HB3 GLU 57 3HB GLU 57 9.339 -6.731 10.235 498 HG2 GLU 57 2HG GLU 57 7.359 -5.945 11.478 499 HG3 GLU 57 3HG GLU 57 6.686 -7.575 11.444 500 H LYS 58 H LYS 58 7.709 -9.292 7.787 501 HA LYS 58 HA LYS 58 10.002 -9.363 6.226 502 HB2 LYS 58 2HB LYS 58 8.667 -11.376 6.619 503 HB3 LYS 58 3HB LYS 58 7.294 -10.694 5.751 504 HG2 LYS 58 2HG LYS 58 8.766 -10.669 3.660 505 HG3 LYS 58 3HG LYS 58 9.953 -11.599 4.582 506 HD2 LYS 58 2HD LYS 58 8.331 -13.420 4.880 507 HD3 LYS 58 3HD LYS 58 7.081 -12.472 4.070 508 HE2 LYS 58 2HE LYS 58 8.445 -12.520 1.979 509 HE3 LYS 58 3HE LYS 58 9.625 -13.548 2.805 510 HZ1 LYS 58 3HZ LYS 58 8.091 -14.853 1.492 511 HZ2 LYS 58 1HZ LYS 58 6.769 -14.222 2.334 512 HZ3 LYS 58 2HZ LYS 58 7.900 -15.209 3.128 513 H LEU 59 H LEU 59 6.705 -8.431 5.239 514 HA LEU 59 HA LEU 59 7.453 -7.829 2.519 515 HB2 LEU 59 2HB LEU 59 4.839 -7.355 4.012 516 HB3 LEU 59 3HB LEU 59 5.058 -7.239 2.272 517 HG LEU 59 HG LEU 59 5.231 -9.777 3.953 518 HD11 LEU 59 1HD1 LEU 59 3.267 -10.512 2.677 519 HD12 LEU 59 2HD1 LEU 59 3.241 -8.982 1.798 520 HD13 LEU 59 3HD1 LEU 59 2.932 -9.007 3.534 521 HD21 LEU 59 3HD2 LEU 59 5.780 -9.427 0.986 522 HD22 LEU 59 1HD2 LEU 59 5.593 -10.980 1.801 523 HD23 LEU 59 2HD2 LEU 59 6.931 -9.920 2.229 524 H LEU 60 H LEU 60 6.928 -6.036 5.481 525 HA LEU 60 HA LEU 60 6.753 -3.425 4.455 526 HB2 LEU 60 2HB LEU 60 6.222 -4.094 6.795 527 HB3 LEU 60 3HB LEU 60 7.924 -4.340 7.122 528 HG LEU 60 HG LEU 60 6.942 -1.589 6.255 529 HD11 LEU 60 1HD1 LEU 60 6.859 -2.626 9.107 530 HD12 LEU 60 2HD1 LEU 60 5.464 -2.234 8.097 531 HD13 LEU 60 3HD1 LEU 60 6.572 -0.958 8.594 532 HD21 LEU 60 3HD2 LEU 60 9.264 -2.463 8.023 533 HD22 LEU 60 1HD2 LEU 60 8.844 -0.788 7.640 534 HD23 LEU 60 2HD2 LEU 60 9.373 -1.877 6.364 535 H GLN 61 H GLN 61 9.558 -5.231 5.686 536 HA GLN 61 HA GLN 61 11.494 -3.287 4.966 537 HB2 GLN 61 2HB GLN 61 11.836 -6.226 5.658 538 HB3 GLN 61 3HB GLN 61 13.159 -5.066 5.519 539 HG2 GLN 61 2HG GLN 61 12.196 -3.747 7.387 540 HG3 GLN 61 3HG GLN 61 10.874 -4.908 7.514 541 HE21 GLN 61 1HE2 GLN 61 11.332 -5.481 9.607 542 HE22 GLN 61 2HE2 GLN 61 12.737 -6.364 10.075 543 H LYS 62 H LYS 62 10.233 -6.159 3.338 544 HA LYS 62 HA LYS 62 12.132 -6.439 1.290 545 HB2 LYS 62 2HB LYS 62 10.457 -8.164 1.819 546 HB3 LYS 62 3HB LYS 62 9.154 -7.105 1.285 547 HG2 LYS 62 2HG LYS 62 9.938 -7.205 -1.005 548 HG3 LYS 62 3HG LYS 62 11.375 -8.111 -0.516 549 HD2 LYS 62 2HD LYS 62 9.907 -9.997 0.210 550 HD3 LYS 62 3HD LYS 62 8.494 -9.088 -0.353 551 HE2 LYS 62 2HE LYS 62 9.307 -10.778 -2.012 552 HE3 LYS 62 3HE LYS 62 9.316 -9.128 -2.641 553 HZ1 LYS 62 3HZ LYS 62 11.351 -10.278 -3.218 554 HZ2 LYS 62 1HZ LYS 62 11.681 -10.601 -1.591 555 HZ3 LYS 62 2HZ LYS 62 11.701 -9.008 -2.158 556 H ILE 63 H ILE 63 9.019 -4.693 1.297 557 HA ILE 63 HA ILE 63 9.232 -3.655 -1.330 558 HB ILE 63 HB ILE 63 7.384 -3.152 1.001 559 HG12 ILE 63 2HG1 ILE 63 5.612 -3.706 -0.679 560 HG13 ILE 63 3HG1 ILE 63 6.828 -3.786 -1.945 561 HG21 ILE 63 1HG2 ILE 63 7.769 -0.839 0.310 562 HG22 ILE 63 2HG2 ILE 63 6.147 -1.339 -0.173 563 HG23 ILE 63 3HG2 ILE 63 7.438 -1.252 -1.374 564 HD11 ILE 63 3HD1 ILE 63 7.823 -5.746 -0.824 565 HD12 ILE 63 1HD1 ILE 63 6.133 -5.995 -1.263 566 HD13 ILE 63 2HD1 ILE 63 6.565 -5.655 0.412 567 H LYS 64 H LYS 64 10.228 -2.274 1.848 568 HA LYS 64 HA LYS 64 10.876 0.290 0.708 569 HB2 LYS 64 2HB LYS 64 11.781 0.913 2.861 570 HB3 LYS 64 3HB LYS 64 10.257 0.083 3.072 571 HG2 LYS 64 2HG LYS 64 11.469 -0.813 4.807 572 HG3 LYS 64 3HG LYS 64 11.772 -2.012 3.553 573 HD2 LYS 64 2HD LYS 64 13.966 -0.885 3.072 574 HD3 LYS 64 3HD LYS 64 13.646 0.236 4.397 575 HE2 LYS 64 2HE LYS 64 13.624 -1.659 5.987 576 HE3 LYS 64 3HE LYS 64 13.933 -2.778 4.659 577 HZ1 LYS 64 3HZ LYS 64 15.946 -2.260 5.864 578 HZ2 LYS 64 1HZ LYS 64 15.751 -0.610 5.559 579 HZ3 LYS 64 2HZ LYS 64 16.052 -1.674 4.283 580 H GLN 65 H GLN 65 12.626 -2.710 0.947 581 HA GLN 65 HA GLN 65 15.226 -1.554 0.399 582 HB2 GLN 65 2HB GLN 65 14.201 -4.414 0.292 583 HB3 GLN 65 3HB GLN 65 15.857 -3.984 -0.127 584 HG2 GLN 65 2HG GLN 65 16.269 -3.173 2.135 585 HG3 GLN 65 3HG GLN 65 14.586 -3.464 2.579 586 HE21 GLN 65 1HE2 GLN 65 13.880 -5.625 2.852 587 HE22 GLN 65 2HE2 GLN 65 14.990 -6.922 3.099 588 H GLU 66 H GLU 66 13.017 -3.592 -1.637 589 HA GLU 66 HA GLU 66 14.537 -3.094 -4.001 590 HB2 GLU 66 2HB GLU 66 11.846 -4.396 -3.531 591 HB3 GLU 66 3HB GLU 66 12.451 -4.123 -5.158 592 HG2 GLU 66 2HG GLU 66 13.089 -6.305 -4.791 593 HG3 GLU 66 3HG GLU 66 14.557 -5.439 -4.368 594 H ALA 67 H ALA 67 11.303 -1.857 -2.949 595 HA ALA 67 HA ALA 67 11.036 -0.200 -5.304 596 HB1 ALA 67 3HB ALA 67 9.350 -0.178 -2.776 597 HB2 ALA 67 1HB ALA 67 9.040 -1.148 -4.220 598 HB3 ALA 67 2HB ALA 67 8.952 0.610 -4.307 599 H ASN 68 H ASN 68 12.166 0.264 -2.019 600 HA ASN 68 HA ASN 68 13.155 1.955 -0.891 601 HB2 ASN 68 2HB ASN 68 14.852 1.528 -2.676 602 HB3 ASN 68 3HB ASN 68 14.124 2.792 -3.661 603 HD21 ASN 68 1HD2 ASN 68 16.059 3.991 -3.704 604 HD22 ASN 68 2HD2 ASN 68 16.671 4.829 -2.322 605 H VAL 69 H VAL 69 10.842 2.623 -0.581 606 HA VAL 69 HA VAL 69 10.345 5.406 -1.457 607 HB VAL 69 HB VAL 69 7.889 4.849 -1.704 608 HG11 VAL 69 1HG1 VAL 69 9.705 3.378 -3.654 609 HG12 VAL 69 2HG1 VAL 69 9.331 5.103 -3.698 610 HG13 VAL 69 3HG1 VAL 69 8.055 3.919 -3.965 611 HG21 VAL 69 3HG2 VAL 69 7.221 2.470 -2.046 612 HG22 VAL 69 1HG2 VAL 69 7.815 2.755 -0.408 613 HG23 VAL 69 2HG2 VAL 69 8.847 1.952 -1.593 614 H GLN 70 H GLN 70 8.531 6.424 -0.130 615 HA GLN 70 HA GLN 70 9.120 6.183 2.654 616 HB2 GLN 70 2HB GLN 70 6.897 7.741 1.265 617 HB3 GLN 70 3HB GLN 70 7.336 7.910 2.962 618 HG2 GLN 70 2HG GLN 70 9.063 8.610 0.571 619 HG3 GLN 70 3HG GLN 70 8.278 9.736 1.674 620 HE21 GLN 70 1HE2 GLN 70 9.074 9.878 3.839 621 HE22 GLN 70 2HE2 GLN 70 10.695 9.423 4.225 622 H VAL 71 H VAL 71 8.245 4.843 4.104 623 HA VAL 71 HA VAL 71 5.919 3.181 3.368 624 HB VAL 71 HB VAL 71 8.026 2.872 5.566 625 HG11 VAL 71 1HG1 VAL 71 5.898 1.949 6.376 626 HG12 VAL 71 2HG1 VAL 71 7.033 0.646 6.029 627 HG13 VAL 71 3HG1 VAL 71 5.722 0.995 4.900 628 HG21 VAL 71 3HG2 VAL 71 7.578 1.254 3.024 629 HG22 VAL 71 1HG2 VAL 71 8.804 0.930 4.253 630 HG23 VAL 71 2HG2 VAL 71 8.882 2.411 3.298 631 H TYR 72 H TYR 72 4.003 4.004 4.047 632 HA TYR 72 HA TYR 72 3.746 5.211 6.731 633 HB2 TYR 72 2HB TYR 72 1.840 5.001 4.353 634 HB3 TYR 72 3HB TYR 72 1.317 5.557 5.940 635 HD1 TYR 72 HD2 TYR 72 3.614 6.373 3.091 636 HD2 TYR 72 HD1 TYR 72 1.715 7.810 6.648 637 HE1 TYR 72 HE2 TYR 72 4.295 8.670 2.543 638 HE2 TYR 72 HE1 TYR 72 2.400 10.099 6.091 639 HH TYR 72 HH TYR 72 4.083 11.251 4.762 640 H ARG 73 H ARG 73 3.803 3.518 8.182 641 HA ARG 73 HA ARG 73 2.365 1.041 7.645 642 HB2 ARG 73 2HB ARG 73 4.520 0.895 8.822 643 HB3 ARG 73 3HB ARG 73 3.912 1.917 10.124 644 HG2 ARG 73 2HG ARG 73 3.890 -0.451 10.788 645 HG3 ARG 73 3HG ARG 73 2.244 0.183 10.723 646 HD2 ARG 73 2HD ARG 73 1.979 -0.850 8.459 647 HD3 ARG 73 3HD ARG 73 3.598 -1.539 8.604 648 HE ARG 73 HE ARG 73 1.166 -2.412 9.943 649 HH11 ARG 73 1HH1 ARG 73 4.684 -2.662 9.909 650 HH12 ARG 73 2HH1 ARG 73 4.693 -4.176 10.757 651 HH21 ARG 73 1HH2 ARG 73 1.225 -4.429 11.010 652 HH22 ARG 73 2HH2 ARG 73 2.754 -5.161 11.370 653 H VAL 74 H VAL 74 0.236 1.200 7.769 654 HA VAL 74 HA VAL 74 -0.980 2.364 10.213 655 HB VAL 74 HB VAL 74 -2.896 3.117 8.987 656 HG11 VAL 74 1HG1 VAL 74 -0.441 3.939 7.373 657 HG12 VAL 74 2HG1 VAL 74 -1.010 4.690 8.865 658 HG13 VAL 74 3HG1 VAL 74 -1.988 4.797 7.402 659 HG21 VAL 74 3HG2 VAL 74 -3.196 1.273 7.414 660 HG22 VAL 74 1HG2 VAL 74 -1.789 1.793 6.483 661 HG23 VAL 74 2HG2 VAL 74 -3.233 2.808 6.548 662 H THR 75 H THR 75 -2.634 1.125 11.128 663 HA THR 75 HA THR 75 -3.337 -1.476 9.882 664 HB THR 75 HB THR 75 -3.650 -2.365 12.201 665 HG1 THR 75 HG1 THR 75 -3.769 -0.913 13.726 666 HG21 THR 75 3HG2 THR 75 -1.464 -2.768 11.089 667 HG22 THR 75 1HG2 THR 75 -1.273 -2.583 12.837 668 HG23 THR 75 2HG2 THR 75 -0.845 -1.256 11.757 669 H SER 76 H SER 76 -4.449 1.509 10.333 670 HA SER 76 HA SER 76 -7.248 0.724 10.798 671 HB2 SER 76 2HB SER 76 -6.302 1.629 12.940 672 HB3 SER 76 3HB SER 76 -5.883 3.131 12.112 673 HG SER 76 HG SER 76 -7.833 3.720 12.603 674 H ASN 77 H ASN 77 -8.758 2.118 9.852 675 HA ASN 77 HA ASN 77 -8.040 3.072 7.269 676 HB2 ASN 77 2HB ASN 77 -10.690 3.428 8.751 677 HB3 ASN 77 3HB ASN 77 -10.433 3.625 7.020 678 HD21 ASN 77 1HD2 ASN 77 -12.099 2.082 6.719 679 HD22 ASN 77 2HD2 ASN 77 -11.797 0.392 6.895 680 H ASP 78 H ASP 78 -8.685 4.609 10.355 681 HA ASP 78 HA ASP 78 -9.125 7.273 9.637 682 HB2 ASP 78 2HB ASP 78 -7.546 6.302 12.064 683 HB3 ASP 78 3HB ASP 78 -8.370 7.849 11.909 684 H GLU 79 H GLU 79 -6.100 5.558 10.291 685 HA GLU 79 HA GLU 79 -4.334 7.764 9.923 686 HB2 GLU 79 2HB GLU 79 -3.765 4.773 9.831 687 HB3 GLU 79 3HB GLU 79 -2.562 6.044 10.034 688 HG2 GLU 79 2HG GLU 79 -4.761 5.281 11.972 689 HG3 GLU 79 3HG GLU 79 -3.032 5.012 12.177 690 H LEU 80 H LEU 80 -5.468 5.132 7.862 691 HA LEU 80 HA LEU 80 -3.944 5.586 5.560 692 HB2 LEU 80 2HB LEU 80 -5.283 3.567 5.919 693 HB3 LEU 80 3HB LEU 80 -6.772 4.485 5.899 694 HG LEU 80 HG LEU 80 -6.130 3.049 3.809 695 HD11 LEU 80 1HD1 LEU 80 -7.012 5.893 3.337 696 HD12 LEU 80 2HD1 LEU 80 -8.048 4.546 3.810 697 HD13 LEU 80 3HD1 LEU 80 -7.238 4.521 2.246 698 HD21 LEU 80 3HD2 LEU 80 -4.422 5.478 3.197 699 HD22 LEU 80 1HD2 LEU 80 -4.754 4.125 2.112 700 HD23 LEU 80 2HD2 LEU 80 -3.813 3.865 3.576 701 H GLU 81 H GLU 81 -7.023 7.025 6.621 702 HA GLU 81 HA GLU 81 -7.534 8.635 4.358 703 HB2 GLU 81 2HB GLU 81 -8.389 9.011 7.258 704 HB3 GLU 81 3HB GLU 81 -9.032 9.933 5.900 705 HG2 GLU 81 2HG GLU 81 -9.920 7.834 4.914 706 HG3 GLU 81 3HG GLU 81 -9.304 6.940 6.303 707 H GLN 82 H GLN 82 -5.704 9.195 7.362 708 HA GLN 82 HA GLN 82 -5.129 11.923 7.011 709 HB2 GLN 82 2HB GLN 82 -3.558 9.755 8.448 710 HB3 GLN 82 3HB GLN 82 -3.090 11.450 8.474 711 HG2 GLN 82 2HG GLN 82 -5.715 10.353 9.522 712 HG3 GLN 82 3HG GLN 82 -4.314 10.771 10.506 713 HE21 GLN 82 1HE2 GLN 82 -6.999 11.885 10.686 714 HE22 GLN 82 2HE2 GLN 82 -6.841 13.584 10.420 715 H VAL 83 H VAL 83 -3.460 9.028 5.740 716 HA VAL 83 HA VAL 83 -1.236 10.401 4.607 717 HB VAL 83 HB VAL 83 -2.453 7.895 3.362 718 HG11 VAL 83 1HG1 VAL 83 0.422 8.913 3.440 719 HG12 VAL 83 2HG1 VAL 83 -0.665 8.952 2.047 720 HG13 VAL 83 3HG1 VAL 83 -0.119 7.408 2.695 721 HG21 VAL 83 3HG2 VAL 83 -2.248 7.424 5.744 722 HG22 VAL 83 1HG2 VAL 83 -0.572 7.981 5.749 723 HG23 VAL 83 2HG2 VAL 83 -1.021 6.529 4.850 724 H VAL 84 H VAL 84 -4.441 9.552 3.303 725 HA VAL 84 HA VAL 84 -4.044 10.562 0.669 726 HB VAL 84 HB VAL 84 -6.693 10.159 2.135 727 HG11 VAL 84 1HG1 VAL 84 -6.974 11.498 0.095 728 HG12 VAL 84 2HG1 VAL 84 -7.673 9.897 -0.131 729 HG13 VAL 84 3HG1 VAL 84 -6.110 10.283 -0.852 730 HG21 VAL 84 3HG2 VAL 84 -6.760 7.913 1.096 731 HG22 VAL 84 1HG2 VAL 84 -5.371 8.085 2.172 732 HG23 VAL 84 2HG2 VAL 84 -5.147 8.172 0.424 733 H LYS 85 H LYS 85 -5.072 12.068 3.678 734 HA LYS 85 HA LYS 85 -5.923 14.590 2.644 735 HB2 LYS 85 2HB LYS 85 -4.892 13.717 5.387 736 HB3 LYS 85 3HB LYS 85 -5.427 15.361 5.062 737 HG2 LYS 85 2HG LYS 85 -7.692 14.658 4.695 738 HG3 LYS 85 3HG LYS 85 -7.226 12.961 4.625 739 HD2 LYS 85 2HD LYS 85 -8.307 13.332 6.746 740 HD3 LYS 85 3HD LYS 85 -6.592 13.081 7.061 741 HE2 LYS 85 2HE LYS 85 -7.841 15.845 6.894 742 HE3 LYS 85 3HE LYS 85 -7.747 14.931 8.395 743 HZ1 LYS 85 3HZ LYS 85 -5.470 15.919 6.766 744 HZ2 LYS 85 1HZ LYS 85 -5.303 14.877 8.087 745 HZ3 LYS 85 2HZ LYS 85 -5.930 16.427 8.310 746 H ASP 86 H ASP 86 -2.847 13.397 3.972 747 HA ASP 86 HA ASP 86 -1.396 15.808 3.724 748 HB2 ASP 86 2HB ASP 86 -0.677 12.920 4.267 749 HB3 ASP 86 3HB ASP 86 0.625 14.046 3.905 750 H VAL 87 H VAL 87 -2.007 13.214 1.399 751 HA VAL 87 HA VAL 87 0.244 13.790 -0.277 752 HB VAL 87 HB VAL 87 -1.065 11.581 -0.127 753 HG11 VAL 87 1HG1 VAL 87 -2.896 11.208 -1.695 754 HG12 VAL 87 2HG1 VAL 87 -2.866 12.906 -2.175 755 HG13 VAL 87 3HG1 VAL 87 -3.323 12.464 -0.530 756 HG21 VAL 87 3HG2 VAL 87 0.774 11.935 -1.714 757 HG22 VAL 87 1HG2 VAL 87 -0.352 12.617 -2.888 758 HG23 VAL 87 2HG2 VAL 87 -0.485 10.919 -2.419 759 H LYS 88 H LYS 88 -2.658 15.520 0.196 760 HA LYS 88 HA LYS 88 -1.877 17.250 -2.091 761 HB2 LYS 88 2HB LYS 88 -4.634 17.190 -0.767 762 HB3 LYS 88 3HB LYS 88 -4.113 18.342 -1.983 763 HG2 LYS 88 2HG LYS 88 -5.323 16.899 -3.293 764 HG3 LYS 88 3HG LYS 88 -3.721 16.177 -3.458 765 HD2 LYS 88 2HD LYS 88 -4.265 14.464 -1.818 766 HD3 LYS 88 3HD LYS 88 -5.800 15.253 -1.437 767 HE2 LYS 88 2HE LYS 88 -6.526 14.845 -3.809 768 HE3 LYS 88 3HE LYS 88 -5.040 13.922 -4.059 769 HZ1 LYS 88 3HZ LYS 88 -5.759 12.418 -2.284 770 HZ2 LYS 88 1HZ LYS 88 -6.869 12.474 -3.560 771 HZ3 LYS 88 2HZ LYS 88 -7.201 13.292 -2.123 772 H GLY 89 H GLY 89 -0.194 18.135 -0.752 773 HA2 GLY 89 2HA GLY 89 0.591 20.105 0.130 774 HA3 GLY 89 3HA GLY 89 -1.060 20.658 0.290 775 H SER 90 H SER 90 1.323 18.475 1.853 776 HA SER 90 HA SER 90 0.210 18.876 4.506 777 HB2 SER 90 2HB SER 90 3.031 17.927 3.849 778 HB3 SER 90 3HB SER 90 2.089 17.590 5.302 779 HG SER 90 HG SER 90 0.726 16.323 4.061 780 H GLY 91 H GLY 91 1.481 19.966 6.254 781 HA2 GLY 91 2HA GLY 91 2.566 22.528 5.600 782 HA3 GLY 91 3HA GLY 91 2.641 21.737 7.169 783 H LEU 92 H LEU 92 3.975 19.364 6.184 784 HA LEU 92 HA LEU 92 6.731 20.381 6.004 785 HB2 LEU 92 2HB LEU 92 5.665 17.606 6.692 786 HB3 LEU 92 3HB LEU 92 7.368 18.014 6.588 787 HG LEU 92 HG LEU 92 6.864 17.966 8.907 788 HD11 LEU 92 1HD1 LEU 92 6.856 20.890 8.118 789 HD12 LEU 92 2HD1 LEU 92 8.278 19.854 8.263 790 HD13 LEU 92 3HD1 LEU 92 7.315 20.227 9.690 791 HD21 LEU 92 3HD2 LEU 92 4.419 18.039 8.827 792 HD22 LEU 92 1HD2 LEU 92 4.458 19.758 8.423 793 HD23 LEU 92 2HD2 LEU 92 5.035 19.202 9.998 794 H GLU 93 H GLU 93 4.440 19.552 3.808 795 HA GLU 93 HA GLU 93 5.795 17.709 2.087 796 HB2 GLU 93 2HB GLU 93 3.350 18.022 1.936 797 HB3 GLU 93 3HB GLU 93 3.568 19.695 1.441 798 HG2 GLU 93 2HG GLU 93 4.758 18.835 -0.631 799 HG3 GLU 93 3HG GLU 93 4.320 17.205 -0.133 800 H HIS 94 H HIS 94 7.312 18.074 0.582 801 HA HIS 94 HA HIS 94 8.317 20.766 0.073 802 HB2 HIS 94 2HB HIS 94 9.280 18.105 -1.074 803 HB3 HIS 94 3HB HIS 94 10.126 19.648 -1.148 804 HD1 HIS 94 HD1 HIS 94 11.778 20.069 0.704 805 HD2 HIS 94 HD2 HIS 94 9.075 17.074 1.693 806 HE1 HIS 94 HE1 HIS 94 12.610 19.088 2.860 807 HE2 HIS 94 HE2 HIS 94 10.843 17.431 3.527 808 H HIS 95 H HIS 95 6.414 21.569 -0.929 809 HA HIS 95 HA HIS 95 5.052 20.242 -3.053 810 HB2 HIS 95 2HB HIS 95 3.777 21.726 -1.648 811 HB3 HIS 95 3HB HIS 95 4.858 23.074 -1.966 812 HD1 HIS 95 HD1 HIS 95 4.214 24.614 -3.846 813 HD2 HIS 95 HD2 HIS 95 2.150 21.005 -4.025 814 HE1 HIS 95 HE1 HIS 95 2.528 24.889 -5.689 815 HE2 HIS 95 HE2 HIS 95 1.336 22.676 -5.820 816 H HIS 96 H HIS 96 6.683 19.801 -4.577 817 HA HIS 96 HA HIS 96 7.556 19.994 -6.647 818 HB2 HIS 96 2HB HIS 96 5.101 20.617 -6.963 819 HB3 HIS 96 3HB HIS 96 5.581 22.306 -6.959 820 HD1 HIS 96 HD1 HIS 96 6.019 19.140 -8.991 821 HD2 HIS 96 HD2 HIS 96 6.378 23.248 -9.447 822 HE1 HIS 96 HE1 HIS 96 6.323 19.517 -11.444 823 HE2 HIS 96 HE2 HIS 96 6.766 21.979 -11.659 824 H HIS 97 H HIS 97 9.060 21.297 -4.659 825 HA HIS 97 HA HIS 97 9.937 23.896 -5.622 826 HB2 HIS 97 2HB HIS 97 9.794 23.210 -3.152 827 HB3 HIS 97 3HB HIS 97 11.227 22.228 -3.415 828 HD1 HIS 97 HD1 HIS 97 10.123 25.689 -2.742 829 HD2 HIS 97 HD2 HIS 97 13.621 23.798 -3.956 830 HE1 HIS 97 HE1 HIS 97 11.958 27.379 -2.419 831 HE2 HIS 97 HE2 HIS 97 14.051 26.224 -3.184 832 H HIS 98 H HIS 98 10.371 22.933 -7.740 833 HA HIS 98 HA HIS 98 13.119 22.723 -8.314 834 HB2 HIS 98 2HB HIS 98 12.829 20.372 -7.528 835 HB3 HIS 98 3HB HIS 98 11.531 20.128 -8.691 836 HD1 HIS 98 HD1 HIS 98 12.222 19.823 -11.186 837 HD2 HIS 98 HD2 HIS 98 15.446 20.246 -8.594 838 HE1 HIS 98 HE1 HIS 98 14.246 19.161 -12.513 839 HE2 HIS 98 HE2 HIS 98 16.183 19.473 -10.945 840 H HIS 99 H HIS 99 13.350 23.495 -10.360 841 HA HIS 99 HA HIS 99 11.027 24.097 -11.965 842 HB2 HIS 99 2HB HIS 99 12.939 25.699 -11.795 843 HB3 HIS 99 3HB HIS 99 13.985 24.544 -12.617 844 HD1 HIS 99 HD1 HIS 99 11.194 26.967 -13.226 845 HD2 HIS 99 HD2 HIS 99 13.583 24.384 -15.434 846 HE1 HIS 99 HE1 HIS 99 10.815 27.580 -15.630 847 HE2 HIS 99 HE2 HIS 99 12.104 25.868 -16.941 Start of MODEL 3 1 H1 MET 1 1H MET 1 -2.049 12.920 -7.293 2 H2 MET 1 2H MET 1 -0.971 13.847 -8.204 3 H3 MET 1 3H MET 1 -2.575 14.346 -8.031 4 HA MET 1 HA MET 1 -1.106 15.649 -6.634 5 HB2 MET 1 2HB MET 1 -2.831 13.749 -4.978 6 HB3 MET 1 3HB MET 1 -2.359 15.387 -4.538 7 HG2 MET 1 2HG MET 1 -4.254 14.585 -6.755 8 HG3 MET 1 3HG MET 1 -4.663 15.377 -5.230 9 HE1 MET 1 3HE MET 1 -5.346 18.205 -7.829 10 HE2 MET 1 1HE MET 1 -5.998 17.295 -6.466 11 HE3 MET 1 2HE MET 1 -5.672 16.481 -7.998 12 H GLY 2 H GLY 2 0.493 13.283 -7.375 13 HA2 GLY 2 2HA GLY 2 2.299 12.068 -6.552 14 HA3 GLY 2 3HA GLY 2 1.875 12.560 -4.911 15 H ARG 3 H ARG 3 1.210 10.270 -7.506 16 HA ARG 3 HA ARG 3 -1.156 9.097 -6.554 17 HB2 ARG 3 2HB ARG 3 -0.184 8.815 -8.886 18 HB3 ARG 3 3HB ARG 3 0.987 7.688 -8.211 19 HG2 ARG 3 2HG ARG 3 -0.815 6.424 -9.247 20 HG3 ARG 3 3HG ARG 3 -0.905 6.202 -7.498 21 HD2 ARG 3 2HD ARG 3 -2.711 7.906 -7.384 22 HD3 ARG 3 3HD ARG 3 -2.626 8.105 -9.137 23 HE ARG 3 HE ARG 3 -3.156 5.387 -8.353 24 HH11 ARG 3 1HH1 ARG 3 -4.679 8.499 -8.896 25 HH12 ARG 3 2HH1 ARG 3 -6.241 7.815 -9.208 26 HH21 ARG 3 1HH2 ARG 3 -5.257 4.507 -8.699 27 HH22 ARG 3 2HH2 ARG 3 -6.569 5.574 -9.097 28 H LEU 4 H LEU 4 -1.514 7.873 -4.828 29 HA LEU 4 HA LEU 4 0.744 6.926 -3.179 30 HB2 LEU 4 2HB LEU 4 -0.899 8.600 -2.263 31 HB3 LEU 4 3HB LEU 4 -2.185 7.432 -2.500 32 HG LEU 4 HG LEU 4 -1.031 5.914 -0.833 33 HD11 LEU 4 1HD1 LEU 4 1.248 6.784 -0.999 34 HD12 LEU 4 2HD1 LEU 4 0.669 6.865 0.662 35 HD13 LEU 4 3HD1 LEU 4 0.731 8.330 -0.320 36 HD21 LEU 4 3HD2 LEU 4 -1.858 8.647 0.201 37 HD22 LEU 4 1HD2 LEU 4 -1.782 7.159 1.149 38 HD23 LEU 4 2HD2 LEU 4 -2.941 7.302 -0.170 39 H VAL 5 H VAL 5 0.983 4.718 -2.812 40 HA VAL 5 HA VAL 5 -1.054 2.863 -3.918 41 HB VAL 5 HB VAL 5 1.830 2.265 -3.063 42 HG11 VAL 5 1HG1 VAL 5 1.489 0.024 -4.067 43 HG12 VAL 5 2HG1 VAL 5 -0.200 0.419 -4.401 44 HG13 VAL 5 3HG1 VAL 5 0.362 0.294 -2.733 45 HG21 VAL 5 3HG2 VAL 5 2.286 1.977 -5.465 46 HG22 VAL 5 1HG2 VAL 5 1.704 3.610 -5.129 47 HG23 VAL 5 2HG2 VAL 5 0.619 2.418 -5.848 48 H VAL 6 H VAL 6 -2.458 2.038 -2.504 49 HA VAL 6 HA VAL 6 -1.788 1.782 0.358 50 HB VAL 6 HB VAL 6 -4.510 1.604 -1.030 51 HG11 VAL 6 1HG1 VAL 6 -3.791 1.562 1.927 52 HG12 VAL 6 2HG1 VAL 6 -4.458 0.221 0.990 53 HG13 VAL 6 3HG1 VAL 6 -5.428 1.660 1.286 54 HG21 VAL 6 3HG2 VAL 6 -4.973 3.795 0.036 55 HG22 VAL 6 1HG2 VAL 6 -3.615 3.897 -1.089 56 HG23 VAL 6 2HG2 VAL 6 -3.319 3.848 0.651 57 H VAL 7 H VAL 7 -1.057 -0.167 0.916 58 HA VAL 7 HA VAL 7 -1.610 -2.535 -0.758 59 HB VAL 7 HB VAL 7 0.631 -2.114 1.273 60 HG11 VAL 7 1HG1 VAL 7 1.716 -4.011 0.118 61 HG12 VAL 7 2HG1 VAL 7 0.304 -4.185 -0.930 62 HG13 VAL 7 3HG1 VAL 7 0.158 -4.479 0.807 63 HG21 VAL 7 3HG2 VAL 7 0.821 -0.436 -0.504 64 HG22 VAL 7 1HG2 VAL 7 0.729 -1.702 -1.735 65 HG23 VAL 7 2HG2 VAL 7 2.109 -1.634 -0.636 66 H VAL 8 H VAL 8 -3.036 -3.897 0.083 67 HA VAL 8 HA VAL 8 -3.604 -3.900 2.999 68 HB VAL 8 HB VAL 8 -5.916 -4.551 2.399 69 HG11 VAL 8 1HG1 VAL 8 -5.018 -2.005 0.985 70 HG12 VAL 8 2HG1 VAL 8 -5.423 -2.156 2.696 71 HG13 VAL 8 3HG1 VAL 8 -6.675 -2.382 1.473 72 HG21 VAL 8 3HG2 VAL 8 -5.456 -5.715 0.262 73 HG22 VAL 8 1HG2 VAL 8 -5.063 -4.174 -0.507 74 HG23 VAL 8 2HG2 VAL 8 -6.703 -4.492 0.057 75 H THR 9 H THR 9 -3.927 -5.926 4.001 76 HA THR 9 HA THR 9 -2.928 -8.270 2.527 77 HB THR 9 HB THR 9 -2.790 -9.276 4.883 78 HG1 THR 9 HG1 THR 9 -2.650 -7.009 6.263 79 HG21 THR 9 3HG2 THR 9 -1.153 -6.753 4.375 80 HG22 THR 9 1HG2 THR 9 -0.784 -8.362 3.744 81 HG23 THR 9 2HG2 THR 9 -0.727 -8.060 5.482 82 H SER 10 H SER 10 -5.908 -6.989 2.945 83 HA SER 10 HA SER 10 -7.210 -9.639 2.816 84 HB2 SER 10 2HB SER 10 -7.670 -8.827 5.077 85 HB3 SER 10 3HB SER 10 -8.192 -7.261 4.459 86 HG SER 10 HG SER 10 -9.595 -9.577 4.705 87 H GLU 11 H GLU 11 -8.835 -9.808 1.355 88 HA GLU 11 HA GLU 11 -9.176 -8.037 -0.797 89 HB2 GLU 11 2HB GLU 11 -11.107 -10.205 0.153 90 HB3 GLU 11 3HB GLU 11 -11.085 -9.462 -1.446 91 HG2 GLU 11 2HG GLU 11 -8.825 -10.410 -1.830 92 HG3 GLU 11 3HG GLU 11 -8.907 -11.204 -0.258 93 H GLN 12 H GLN 12 -10.944 -8.452 2.212 94 HA GLN 12 HA GLN 12 -13.149 -6.765 1.674 95 HB2 GLN 12 2HB GLN 12 -11.867 -7.528 4.334 96 HB3 GLN 12 3HB GLN 12 -13.430 -6.733 4.170 97 HG2 GLN 12 2HG GLN 12 -12.722 -9.510 3.178 98 HG3 GLN 12 3HG GLN 12 -13.706 -9.126 4.586 99 HE21 GLN 12 1HE2 GLN 12 -13.629 -9.291 1.103 100 HE22 GLN 12 2HE2 GLN 12 -15.320 -9.059 0.844 101 H LEU 13 H LEU 13 -9.905 -6.169 2.965 102 HA LEU 13 HA LEU 13 -10.298 -3.369 3.496 103 HB2 LEU 13 2HB LEU 13 -7.741 -4.974 3.127 104 HB3 LEU 13 3HB LEU 13 -7.779 -3.285 3.605 105 HG LEU 13 HG LEU 13 -8.828 -5.633 5.233 106 HD11 LEU 13 1HD1 LEU 13 -6.431 -3.819 5.695 107 HD12 LEU 13 2HD1 LEU 13 -6.378 -5.505 5.174 108 HD13 LEU 13 3HD1 LEU 13 -6.987 -5.101 6.775 109 HD21 LEU 13 3HD2 LEU 13 -9.245 -4.005 7.040 110 HD22 LEU 13 1HD2 LEU 13 -10.246 -3.669 5.627 111 HD23 LEU 13 2HD2 LEU 13 -8.823 -2.678 5.955 112 H LYS 14 H LYS 14 -9.280 -5.279 0.687 113 HA LYS 14 HA LYS 14 -8.144 -3.211 -0.865 114 HB2 LYS 14 2HB LYS 14 -7.828 -5.593 -1.456 115 HB3 LYS 14 3HB LYS 14 -9.542 -5.743 -1.843 116 HG2 LYS 14 2HG LYS 14 -9.194 -3.982 -3.644 117 HG3 LYS 14 3HG LYS 14 -7.462 -4.083 -3.316 118 HD2 LYS 14 2HD LYS 14 -7.447 -6.444 -3.983 119 HD3 LYS 14 3HD LYS 14 -9.199 -6.420 -4.195 120 HE2 LYS 14 2HE LYS 14 -8.086 -6.270 -6.360 121 HE3 LYS 14 3HE LYS 14 -8.937 -4.764 -6.020 122 HZ1 LYS 14 3HZ LYS 14 -6.026 -5.228 -5.682 123 HZ2 LYS 14 1HZ LYS 14 -6.831 -3.781 -5.343 124 HZ3 LYS 14 2HZ LYS 14 -6.751 -4.352 -6.928 125 H GLU 15 H GLU 15 -11.411 -4.658 -1.112 126 HA GLU 15 HA GLU 15 -12.466 -2.777 -2.924 127 HB2 GLU 15 2HB GLU 15 -14.685 -3.685 -2.305 128 HB3 GLU 15 3HB GLU 15 -13.509 -4.959 -2.603 129 HG2 GLU 15 2HG GLU 15 -13.233 -5.299 -0.180 130 HG3 GLU 15 3HG GLU 15 -14.381 -4.001 0.143 131 H GLU 16 H GLU 16 -12.174 -2.763 0.566 132 HA GLU 16 HA GLU 16 -13.953 -0.691 1.209 133 HB2 GLU 16 2HB GLU 16 -12.938 -2.231 2.870 134 HB3 GLU 16 3HB GLU 16 -11.367 -1.491 2.601 135 HG2 GLU 16 2HG GLU 16 -12.395 -0.711 4.688 136 HG3 GLU 16 3HG GLU 16 -12.160 0.621 3.556 137 H VAL 17 H VAL 17 -10.375 -0.517 0.727 138 HA VAL 17 HA VAL 17 -10.337 2.317 0.915 139 HB VAL 17 HB VAL 17 -8.129 0.583 -0.260 140 HG11 VAL 17 1HG1 VAL 17 -7.901 2.996 -0.786 141 HG12 VAL 17 2HG1 VAL 17 -6.657 2.484 0.343 142 HG13 VAL 17 3HG1 VAL 17 -8.046 3.395 0.929 143 HG21 VAL 17 3HG2 VAL 17 -8.720 -0.168 2.027 144 HG22 VAL 17 1HG2 VAL 17 -8.525 1.481 2.628 145 HG23 VAL 17 2HG2 VAL 17 -7.130 0.595 2.005 146 H ARG 18 H ARG 18 -10.594 0.116 -1.860 147 HA ARG 18 HA ARG 18 -10.383 2.036 -3.918 148 HB2 ARG 18 2HB ARG 18 -11.949 -0.582 -3.818 149 HB3 ARG 18 3HB ARG 18 -11.803 0.403 -5.275 150 HG2 ARG 18 2HG ARG 18 -9.321 0.128 -5.163 151 HG3 ARG 18 3HG ARG 18 -9.532 -0.953 -3.784 152 HD2 ARG 18 2HD ARG 18 -10.665 -1.414 -6.565 153 HD3 ARG 18 3HD ARG 18 -9.201 -2.159 -5.932 154 HE ARG 18 HE ARG 18 -10.644 -3.283 -4.252 155 HH11 ARG 18 1HH1 ARG 18 -12.201 -2.094 -7.182 156 HH12 ARG 18 2HH1 ARG 18 -13.494 -3.246 -7.100 157 HH21 ARG 18 1HH2 ARG 18 -12.304 -4.862 -4.232 158 HH22 ARG 18 2HH2 ARG 18 -13.555 -4.804 -5.435 159 H LYS 19 H LYS 19 -13.045 1.204 -1.766 160 HA LYS 19 HA LYS 19 -15.189 2.446 -3.202 161 HB2 LYS 19 2HB LYS 19 -15.524 0.633 -1.525 162 HB3 LYS 19 3HB LYS 19 -14.916 1.675 -0.257 163 HG2 LYS 19 2HG LYS 19 -17.142 1.934 0.172 164 HG3 LYS 19 3HG LYS 19 -17.004 3.205 -1.037 165 HD2 LYS 19 2HD LYS 19 -17.961 0.361 -1.573 166 HD3 LYS 19 3HD LYS 19 -19.010 1.757 -1.337 167 HE2 LYS 19 2HE LYS 19 -17.993 2.810 -3.362 168 HE3 LYS 19 3HE LYS 19 -17.050 1.339 -3.616 169 HZ1 LYS 19 3HZ LYS 19 -20.015 1.475 -3.562 170 HZ2 LYS 19 1HZ LYS 19 -19.083 0.102 -3.885 171 HZ3 LYS 19 2HZ LYS 19 -19.075 1.405 -4.963 172 H LYS 20 H LYS 20 -13.122 3.418 -0.457 173 HA LYS 20 HA LYS 20 -14.290 6.054 -0.225 174 HB2 LYS 20 2HB LYS 20 -12.028 6.394 1.215 175 HB3 LYS 20 3HB LYS 20 -13.421 5.602 1.859 176 HG2 LYS 20 2HG LYS 20 -12.389 3.410 1.295 177 HG3 LYS 20 3HG LYS 20 -10.960 4.278 0.753 178 HD2 LYS 20 2HD LYS 20 -10.526 3.439 2.968 179 HD3 LYS 20 3HD LYS 20 -10.693 5.188 3.088 180 HE2 LYS 20 2HE LYS 20 -12.931 3.239 3.742 181 HE3 LYS 20 3HE LYS 20 -11.791 3.844 4.937 182 HZ1 LYS 20 3HZ LYS 20 -13.801 5.107 5.028 183 HZ2 LYS 20 1HZ LYS 20 -13.729 5.472 3.378 184 HZ3 LYS 20 2HZ LYS 20 -12.575 6.107 4.435 185 H PHE 21 H PHE 21 -11.462 4.739 -1.907 186 HA PHE 21 HA PHE 21 -10.765 7.421 -2.929 187 HB2 PHE 21 2HB PHE 21 -8.715 5.544 -1.683 188 HB3 PHE 21 3HB PHE 21 -8.376 7.104 -2.426 189 HD1 PHE 21 HD1 PHE 21 -9.703 9.158 -1.347 190 HD2 PHE 21 HD2 PHE 21 -8.962 5.455 0.643 191 HE1 PHE 21 HE1 PHE 21 -9.987 10.251 0.842 192 HE2 PHE 21 HE2 PHE 21 -9.212 6.564 2.801 193 HZ PHE 21 HZ PHE 21 -9.732 8.933 2.915 194 HA PRO 22 HA PRO 22 -10.100 4.673 -6.598 195 HB2 PRO 22 2HB PRO 22 -11.172 6.367 -8.427 196 HB3 PRO 22 3HB PRO 22 -12.208 5.332 -7.419 197 HG2 PRO 22 2HG PRO 22 -11.538 8.241 -7.052 198 HG3 PRO 22 3HG PRO 22 -13.121 7.434 -6.947 199 HD2 PRO 22 2HD PRO 22 -11.610 8.046 -4.735 200 HD3 PRO 22 3HD PRO 22 -12.740 6.673 -4.786 201 H GLN 23 H GLN 23 -9.026 7.601 -5.325 202 HA GLN 23 HA GLN 23 -7.250 8.386 -7.499 203 HB2 GLN 23 2HB GLN 23 -6.718 10.308 -6.063 204 HB3 GLN 23 3HB GLN 23 -8.457 10.115 -6.253 205 HG2 GLN 23 2HG GLN 23 -8.532 9.004 -4.009 206 HG3 GLN 23 3HG GLN 23 -6.809 9.347 -3.829 207 HE21 GLN 23 1HE2 GLN 23 -6.970 10.723 -2.127 208 HE22 GLN 23 2HE2 GLN 23 -7.804 12.229 -2.145 209 H VAL 24 H VAL 24 -7.026 5.994 -5.289 210 HA VAL 24 HA VAL 24 -4.063 6.168 -5.170 211 HB VAL 24 HB VAL 24 -4.093 4.827 -3.094 212 HG11 VAL 24 1HG1 VAL 24 -4.015 7.276 -2.868 213 HG12 VAL 24 2HG1 VAL 24 -4.896 6.555 -1.520 214 HG13 VAL 24 3HG1 VAL 24 -5.780 7.350 -2.827 215 HG21 VAL 24 3HG2 VAL 24 -7.122 5.084 -3.208 216 HG22 VAL 24 1HG2 VAL 24 -6.205 4.432 -1.846 217 HG23 VAL 24 2HG2 VAL 24 -6.186 3.603 -3.400 218 H GLU 25 H GLU 25 -2.932 4.148 -5.409 219 HA GLU 25 HA GLU 25 -4.274 2.075 -6.981 220 HB2 GLU 25 2HB GLU 25 -1.349 2.401 -6.154 221 HB3 GLU 25 3HB GLU 25 -1.960 1.139 -7.216 222 HG2 GLU 25 2HG GLU 25 -2.057 4.108 -7.814 223 HG3 GLU 25 3HG GLU 25 -0.837 2.990 -8.421 224 H VAL 26 H VAL 26 -5.471 0.721 -5.667 225 HA VAL 26 HA VAL 26 -4.386 -0.140 -3.060 226 HB VAL 26 HB VAL 26 -7.174 -0.762 -4.150 227 HG11 VAL 26 1HG1 VAL 26 -6.419 -2.228 -2.313 228 HG12 VAL 26 2HG1 VAL 26 -7.733 -1.181 -1.775 229 HG13 VAL 26 3HG1 VAL 26 -6.069 -0.818 -1.309 230 HG21 VAL 26 3HG2 VAL 26 -6.382 1.570 -2.363 231 HG22 VAL 26 1HG2 VAL 26 -8.032 1.116 -2.804 232 HG23 VAL 26 2HG2 VAL 26 -6.911 1.685 -4.043 233 H ARG 27 H ARG 27 -3.090 -1.907 -3.211 234 HA ARG 27 HA ARG 27 -3.817 -4.083 -5.093 235 HB2 ARG 27 2HB ARG 27 -1.566 -2.978 -5.443 236 HB3 ARG 27 3HB ARG 27 -1.079 -3.549 -3.857 237 HG2 ARG 27 2HG ARG 27 -0.255 -4.950 -5.806 238 HG3 ARG 27 3HG ARG 27 -1.111 -5.849 -4.555 239 HD2 ARG 27 2HD ARG 27 -3.092 -6.000 -5.925 240 HD3 ARG 27 3HD ARG 27 -2.429 -4.878 -7.104 241 HE ARG 27 HE ARG 27 -1.077 -6.564 -7.974 242 HH11 ARG 27 1HH1 ARG 27 -2.907 -7.836 -5.242 243 HH12 ARG 27 2HH1 ARG 27 -2.610 -9.486 -5.678 244 HH21 ARG 27 1HH2 ARG 27 -0.854 -8.738 -8.588 245 HH22 ARG 27 2HH2 ARG 27 -1.461 -9.992 -7.556 246 H LEU 28 H LEU 28 -4.193 -6.047 -4.348 247 HA LEU 28 HA LEU 28 -4.543 -6.599 -1.534 248 HB2 LEU 28 2HB LEU 28 -6.205 -7.363 -3.104 249 HB3 LEU 28 3HB LEU 28 -4.997 -8.122 -4.119 250 HG LEU 28 HG LEU 28 -4.624 -9.849 -2.351 251 HD11 LEU 28 1HD1 LEU 28 -6.946 -8.532 -0.917 252 HD12 LEU 28 2HD1 LEU 28 -5.268 -8.594 -0.367 253 HD13 LEU 28 3HD1 LEU 28 -6.207 -10.079 -0.490 254 HD21 LEU 28 3HD2 LEU 28 -6.150 -10.282 -4.218 255 HD22 LEU 28 1HD2 LEU 28 -7.497 -9.605 -3.297 256 HD23 LEU 28 2HD2 LEU 28 -6.704 -11.085 -2.751 257 H VAL 29 H VAL 29 -3.310 -8.003 -0.289 258 HA VAL 29 HA VAL 29 -1.193 -9.620 -1.567 259 HB VAL 29 HB VAL 29 -0.996 -8.212 1.138 260 HG11 VAL 29 1HG1 VAL 29 1.015 -10.090 -0.178 261 HG12 VAL 29 2HG1 VAL 29 0.055 -10.436 1.263 262 HG13 VAL 29 3HG1 VAL 29 1.282 -9.172 1.309 263 HG21 VAL 29 3HG2 VAL 29 -0.586 -6.672 -0.729 264 HG22 VAL 29 1HG2 VAL 29 0.617 -7.775 -1.408 265 HG23 VAL 29 2HG2 VAL 29 0.913 -6.988 0.146 266 H THR 30 H THR 30 -2.195 -11.569 -1.589 267 HA THR 30 HA THR 30 -3.225 -12.701 0.967 268 HB THR 30 HB THR 30 -4.078 -14.609 -0.468 269 HG1 THR 30 HG1 THR 30 -3.289 -12.904 -2.615 270 HG21 THR 30 3HG2 THR 30 -5.635 -12.796 0.127 271 HG22 THR 30 1HG2 THR 30 -5.970 -13.405 -1.495 272 HG23 THR 30 2HG2 THR 30 -5.114 -11.878 -1.286 273 H THR 31 H THR 31 -0.899 -13.128 -1.631 274 HA THR 31 HA THR 31 0.682 -15.067 -0.041 275 HB THR 31 HB THR 31 1.610 -15.938 -2.144 276 HG1 THR 31 HG1 THR 31 -0.137 -14.182 -3.556 277 HG21 THR 31 3HG2 THR 31 -1.424 -15.805 -2.384 278 HG22 THR 31 1HG2 THR 31 -0.524 -16.997 -1.445 279 HG23 THR 31 2HG2 THR 31 -0.376 -16.966 -3.205 280 H GLU 32 H GLU 32 3.057 -14.863 -0.557 281 HA GLU 32 HA GLU 32 4.098 -12.267 -0.162 282 HB2 GLU 32 2HB GLU 32 5.303 -14.310 0.542 283 HB3 GLU 32 3HB GLU 32 5.497 -14.797 -1.139 284 HG2 GLU 32 2HG GLU 32 6.874 -12.719 -1.509 285 HG3 GLU 32 3HG GLU 32 6.773 -12.401 0.224 286 H GLU 33 H GLU 33 3.400 -14.132 -3.035 287 HA GLU 33 HA GLU 33 5.005 -12.757 -4.901 288 HB2 GLU 33 2HB GLU 33 3.954 -15.002 -5.289 289 HB3 GLU 33 3HB GLU 33 2.385 -14.220 -5.446 290 HG2 GLU 33 2HG GLU 33 3.407 -14.756 -7.641 291 HG3 GLU 33 3HG GLU 33 3.133 -13.024 -7.437 292 H ASP 34 H ASP 34 1.698 -12.174 -3.708 293 HA ASP 34 HA ASP 34 0.986 -10.100 -5.502 294 HB2 ASP 34 2HB ASP 34 0.067 -10.582 -2.644 295 HB3 ASP 34 3HB ASP 34 -0.659 -9.405 -3.732 296 H ALA 35 H ALA 35 2.678 -10.068 -2.386 297 HA ALA 35 HA ALA 35 2.976 -7.286 -2.048 298 HB1 ALA 35 3HB ALA 35 4.822 -7.861 -0.515 299 HB2 ALA 35 1HB ALA 35 4.830 -9.517 -1.138 300 HB3 ALA 35 2HB ALA 35 3.431 -8.913 -0.252 301 H LYS 36 H LYS 36 4.861 -9.650 -3.879 302 HA LYS 36 HA LYS 36 6.941 -7.907 -4.754 303 HB2 LYS 36 2HB LYS 36 5.893 -10.518 -5.922 304 HB3 LYS 36 3HB LYS 36 7.382 -9.722 -6.431 305 HG2 LYS 36 2HG LYS 36 8.418 -10.088 -4.285 306 HG3 LYS 36 3HG LYS 36 6.890 -10.621 -3.576 307 HD2 LYS 36 2HD LYS 36 8.365 -12.538 -4.042 308 HD3 LYS 36 3HD LYS 36 6.886 -12.617 -5.002 309 HE2 LYS 36 2HE LYS 36 8.160 -11.695 -6.956 310 HE3 LYS 36 3HE LYS 36 9.632 -11.748 -5.982 311 HZ1 LYS 36 3HZ LYS 36 7.950 -14.073 -6.760 312 HZ2 LYS 36 1HZ LYS 36 9.309 -14.154 -5.753 313 HZ3 LYS 36 2HZ LYS 36 9.481 -13.686 -7.367 314 H GLN 37 H GLN 37 3.737 -8.754 -6.018 315 HA GLN 37 HA GLN 37 3.948 -7.408 -8.520 316 HB2 GLN 37 2HB GLN 37 1.403 -7.977 -6.930 317 HB3 GLN 37 3HB GLN 37 1.481 -7.536 -8.631 318 HG2 GLN 37 2HG GLN 37 2.383 -10.118 -7.347 319 HG3 GLN 37 3HG GLN 37 1.076 -9.894 -8.498 320 HE21 GLN 37 1HE2 GLN 37 4.493 -10.292 -8.080 321 HE22 GLN 37 2HE2 GLN 37 4.897 -10.441 -9.754 322 H VAL 38 H VAL 38 2.965 -6.404 -5.266 323 HA VAL 38 HA VAL 38 2.151 -3.779 -5.711 324 HB VAL 38 HB VAL 38 3.761 -4.869 -3.344 325 HG11 VAL 38 1HG1 VAL 38 2.942 -2.908 -2.076 326 HG12 VAL 38 2HG1 VAL 38 2.198 -2.271 -3.543 327 HG13 VAL 38 3HG1 VAL 38 3.951 -2.424 -3.441 328 HG21 VAL 38 3HG2 VAL 38 1.608 -5.055 -2.177 329 HG22 VAL 38 1HG2 VAL 38 1.584 -6.001 -3.663 330 HG23 VAL 38 2HG2 VAL 38 0.764 -4.445 -3.601 331 H ILE 39 H ILE 39 5.421 -4.986 -4.904 332 HA ILE 39 HA ILE 39 6.934 -2.692 -4.928 333 HB ILE 39 HB ILE 39 7.736 -5.451 -5.961 334 HG12 ILE 39 2HG1 ILE 39 8.189 -4.223 -3.200 335 HG13 ILE 39 3HG1 ILE 39 6.879 -5.330 -3.584 336 HG21 ILE 39 1HG2 ILE 39 9.556 -3.164 -5.112 337 HG22 ILE 39 2HG2 ILE 39 9.343 -3.762 -6.758 338 HG23 ILE 39 3HG2 ILE 39 10.080 -4.795 -5.535 339 HD11 ILE 39 3HD1 ILE 39 8.686 -6.467 -2.460 340 HD12 ILE 39 1HD1 ILE 39 9.820 -5.969 -3.717 341 HD13 ILE 39 2HD1 ILE 39 8.501 -7.077 -4.103 342 H LYS 40 H LYS 40 6.218 -4.765 -7.720 343 HA LYS 40 HA LYS 40 7.677 -3.231 -9.630 344 HB2 LYS 40 2HB LYS 40 5.561 -5.394 -10.023 345 HB3 LYS 40 3HB LYS 40 6.591 -4.747 -11.302 346 HG2 LYS 40 2HG LYS 40 8.596 -5.526 -9.998 347 HG3 LYS 40 3HG LYS 40 7.496 -6.303 -8.854 348 HD2 LYS 40 2HD LYS 40 6.645 -7.767 -10.649 349 HD3 LYS 40 3HD LYS 40 7.680 -6.950 -11.828 350 HE2 LYS 40 2HE LYS 40 9.680 -7.700 -10.512 351 HE3 LYS 40 3HE LYS 40 8.602 -8.608 -9.451 352 HZ1 LYS 40 3HZ LYS 40 8.976 -9.055 -12.363 353 HZ2 LYS 40 1HZ LYS 40 7.904 -9.916 -11.379 354 HZ3 LYS 40 2HZ LYS 40 9.568 -10.026 -11.117 355 H GLU 41 H GLU 41 4.319 -3.193 -8.511 356 HA GLU 41 HA GLU 41 3.245 -1.649 -10.667 357 HB2 GLU 41 2HB GLU 41 1.883 -3.107 -9.100 358 HB3 GLU 41 3HB GLU 41 2.116 -1.898 -7.844 359 HG2 GLU 41 2HG GLU 41 -0.049 -1.528 -8.765 360 HG3 GLU 41 3HG GLU 41 0.969 -0.219 -9.362 361 H ILE 42 H ILE 42 4.463 -0.874 -7.453 362 HA ILE 42 HA ILE 42 4.055 1.855 -7.250 363 HB ILE 42 HB ILE 42 6.455 0.213 -6.295 364 HG12 ILE 42 2HG1 ILE 42 3.996 1.060 -4.689 365 HG13 ILE 42 3HG1 ILE 42 4.175 -0.522 -5.434 366 HG21 ILE 42 1HG2 ILE 42 6.884 1.994 -4.658 367 HG22 ILE 42 2HG2 ILE 42 5.549 2.940 -5.317 368 HG23 ILE 42 3HG2 ILE 42 6.976 2.632 -6.304 369 HD11 ILE 42 3HD1 ILE 42 4.707 -0.558 -3.061 370 HD12 ILE 42 1HD1 ILE 42 5.999 0.615 -3.320 371 HD13 ILE 42 2HD1 ILE 42 6.104 -0.993 -4.043 372 H GLN 43 H GLN 43 6.816 0.107 -8.656 373 HA GLN 43 HA GLN 43 8.365 2.366 -9.390 374 HB2 GLN 43 2HB GLN 43 8.469 -0.515 -10.377 375 HB3 GLN 43 3HB GLN 43 9.711 0.696 -10.703 376 HG2 GLN 43 2HG GLN 43 10.198 0.892 -8.316 377 HG3 GLN 43 3HG GLN 43 8.899 -0.240 -7.933 378 HE21 GLN 43 1HE2 GLN 43 10.303 -1.709 -6.923 379 HE22 GLN 43 2HE2 GLN 43 11.454 -2.649 -7.799 380 H LYS 44 H LYS 44 6.065 0.349 -11.213 381 HA LYS 44 HA LYS 44 6.466 1.630 -13.742 382 HB2 LYS 44 2HB LYS 44 4.257 -0.194 -12.704 383 HB3 LYS 44 3HB LYS 44 4.266 0.439 -14.349 384 HG2 LYS 44 2HG LYS 44 6.454 -1.283 -13.136 385 HG3 LYS 44 3HG LYS 44 5.178 -1.863 -14.209 386 HD2 LYS 44 2HD LYS 44 6.035 -0.406 -16.024 387 HD3 LYS 44 3HD LYS 44 7.295 0.208 -14.950 388 HE2 LYS 44 2HE LYS 44 8.190 -1.492 -16.486 389 HE3 LYS 44 3HE LYS 44 8.286 -2.052 -14.817 390 HZ1 LYS 44 3HZ LYS 44 6.388 -3.436 -15.167 391 HZ2 LYS 44 1HZ LYS 44 7.509 -3.751 -16.389 392 HZ3 LYS 44 2HZ LYS 44 6.139 -2.819 -16.721 393 H LYS 45 H LYS 45 4.331 2.297 -11.018 394 HA LYS 45 HA LYS 45 2.836 4.379 -12.420 395 HB2 LYS 45 2HB LYS 45 2.673 3.068 -9.734 396 HB3 LYS 45 3HB LYS 45 2.212 4.758 -9.756 397 HG2 LYS 45 2HG LYS 45 0.237 3.472 -9.936 398 HG3 LYS 45 3HG LYS 45 0.499 4.240 -11.495 399 HD2 LYS 45 2HD LYS 45 1.456 1.403 -11.072 400 HD3 LYS 45 3HD LYS 45 -0.265 1.694 -11.303 401 HE2 LYS 45 2HE LYS 45 0.264 2.828 -13.470 402 HE3 LYS 45 3HE LYS 45 1.962 2.386 -13.247 403 HZ1 LYS 45 3HZ LYS 45 0.853 0.792 -14.656 404 HZ2 LYS 45 1HZ LYS 45 -0.326 0.508 -13.478 405 HZ3 LYS 45 2HZ LYS 45 1.274 0.051 -13.196 406 H GLY 46 H GLY 46 5.853 4.170 -10.854 407 HA2 GLY 46 2HA GLY 46 7.474 5.724 -10.371 408 HA3 GLY 46 3HA GLY 46 6.492 6.930 -11.190 409 H VAL 47 H VAL 47 5.935 4.939 -8.300 410 HA VAL 47 HA VAL 47 4.778 7.214 -6.884 411 HB VAL 47 HB VAL 47 4.816 4.234 -6.263 412 HG11 VAL 47 1HG1 VAL 47 3.190 4.684 -4.465 413 HG12 VAL 47 2HG1 VAL 47 3.369 6.420 -4.729 414 HG13 VAL 47 3HG1 VAL 47 4.737 5.472 -4.144 415 HG21 VAL 47 3HG2 VAL 47 2.442 4.286 -6.834 416 HG22 VAL 47 1HG2 VAL 47 3.422 4.846 -8.187 417 HG23 VAL 47 2HG2 VAL 47 2.541 6.010 -7.193 418 H GLN 48 H GLN 48 5.421 7.786 -4.824 419 HA GLN 48 HA GLN 48 8.321 7.454 -4.307 420 HB2 GLN 48 2HB GLN 48 6.515 9.875 -3.849 421 HB3 GLN 48 3HB GLN 48 8.248 9.808 -3.543 422 HG2 GLN 48 2HG GLN 48 8.700 9.519 -5.930 423 HG3 GLN 48 3HG GLN 48 6.972 9.458 -6.274 424 HE21 GLN 48 1HE2 GLN 48 5.761 11.391 -6.186 425 HE22 GLN 48 2HE2 GLN 48 6.523 12.945 -6.216 426 H LYS 49 H LYS 49 5.120 7.952 -2.835 427 HA LYS 49 HA LYS 49 6.101 6.897 -0.242 428 HB2 LYS 49 2HB LYS 49 3.952 9.003 -0.781 429 HB3 LYS 49 3HB LYS 49 4.319 8.330 0.808 430 HG2 LYS 49 2HG LYS 49 6.566 9.280 0.750 431 HG3 LYS 49 3HG LYS 49 6.325 9.839 -0.904 432 HD2 LYS 49 2HD LYS 49 4.795 10.834 1.534 433 HD3 LYS 49 3HD LYS 49 6.133 11.674 0.745 434 HE2 LYS 49 2HE LYS 49 4.749 11.735 -1.366 435 HE3 LYS 49 3HE LYS 49 3.399 11.081 -0.433 436 HZ1 LYS 49 3HZ LYS 49 3.178 13.428 -0.531 437 HZ2 LYS 49 1HZ LYS 49 4.772 13.679 -0.033 438 HZ3 LYS 49 2HZ LYS 49 3.640 13.048 1.045 439 H VAL 50 H VAL 50 4.984 5.176 0.562 440 HA VAL 50 HA VAL 50 2.538 4.207 -0.797 441 HB VAL 50 HB VAL 50 5.016 2.553 -0.059 442 HG11 VAL 50 1HG1 VAL 50 2.977 1.241 0.369 443 HG12 VAL 50 2HG1 VAL 50 3.838 0.608 -1.035 444 HG13 VAL 50 3HG1 VAL 50 2.388 1.591 -1.258 445 HG21 VAL 50 3HG2 VAL 50 5.244 2.141 -2.467 446 HG22 VAL 50 1HG2 VAL 50 5.290 3.874 -2.134 447 HG23 VAL 50 2HG2 VAL 50 3.827 3.140 -2.796 448 H VAL 51 H VAL 51 0.972 3.682 0.624 449 HA VAL 51 HA VAL 51 1.507 3.501 3.501 450 HB VAL 51 HB VAL 51 -1.150 3.548 1.978 451 HG11 VAL 51 1HG1 VAL 51 -0.623 3.629 4.977 452 HG12 VAL 51 2HG1 VAL 51 -1.418 2.326 4.087 453 HG13 VAL 51 3HG1 VAL 51 -2.190 3.907 4.217 454 HG21 VAL 51 3HG2 VAL 51 -1.373 5.841 2.873 455 HG22 VAL 51 1HG2 VAL 51 0.057 5.686 1.850 456 HG23 VAL 51 2HG2 VAL 51 0.228 5.716 3.606 457 H LEU 52 H LEU 52 1.449 1.604 4.591 458 HA LEU 52 HA LEU 52 0.599 -0.880 3.212 459 HB2 LEU 52 2HB LEU 52 2.644 -0.507 5.449 460 HB3 LEU 52 3HB LEU 52 2.239 -2.029 4.675 461 HG LEU 52 HG LEU 52 3.651 0.322 3.339 462 HD11 LEU 52 1HD1 LEU 52 5.627 -1.108 3.274 463 HD12 LEU 52 2HD1 LEU 52 4.757 -2.391 4.122 464 HD13 LEU 52 3HD1 LEU 52 5.092 -0.861 4.934 465 HD21 LEU 52 3HD2 LEU 52 2.998 -2.403 2.193 466 HD22 LEU 52 1HD2 LEU 52 4.007 -1.173 1.422 467 HD23 LEU 52 2HD2 LEU 52 2.297 -0.857 1.706 468 H VAL 53 H VAL 53 -1.455 -1.242 3.942 469 HA VAL 53 HA VAL 53 -2.339 -0.568 6.624 470 HB VAL 53 HB VAL 53 -3.917 -2.050 4.460 471 HG11 VAL 53 1HG1 VAL 53 -5.928 -1.289 5.697 472 HG12 VAL 53 2HG1 VAL 53 -4.900 -0.543 6.923 473 HG13 VAL 53 3HG1 VAL 53 -4.893 -2.296 6.716 474 HG21 VAL 53 3HG2 VAL 53 -3.872 0.942 5.001 475 HG22 VAL 53 1HG2 VAL 53 -4.919 0.111 3.850 476 HG23 VAL 53 2HG2 VAL 53 -3.173 0.138 3.595 477 H GLY 54 H GLY 54 -1.228 -1.876 8.014 478 HA2 GLY 54 2HA GLY 54 -0.910 -3.644 9.413 479 HA3 GLY 54 3HA GLY 54 -2.452 -4.246 8.831 480 H VAL 55 H VAL 55 0.902 -3.937 7.597 481 HA VAL 55 HA VAL 55 0.764 -6.682 6.481 482 HB VAL 55 HB VAL 55 2.605 -6.079 5.000 483 HG11 VAL 55 1HG1 VAL 55 0.372 -5.442 4.188 484 HG12 VAL 55 2HG1 VAL 55 1.579 -4.289 3.619 485 HG13 VAL 55 3HG1 VAL 55 0.514 -3.859 4.960 486 HG21 VAL 55 3HG2 VAL 55 2.728 -3.400 6.448 487 HG22 VAL 55 1HG2 VAL 55 3.641 -3.804 4.990 488 HG23 VAL 55 2HG2 VAL 55 3.944 -4.679 6.490 489 H SER 56 H SER 56 2.768 -7.983 6.663 490 HA SER 56 HA SER 56 3.945 -8.008 9.271 491 HB2 SER 56 2HB SER 56 4.752 -9.497 6.729 492 HB3 SER 56 3HB SER 56 5.314 -9.872 8.364 493 HG SER 56 HG SER 56 3.060 -10.188 8.901 494 H GLU 57 H GLU 57 6.054 -7.473 9.846 495 HA GLU 57 HA GLU 57 7.297 -5.218 8.732 496 HB2 GLU 57 2HB GLU 57 9.111 -5.553 10.337 497 HB3 GLU 57 3HB GLU 57 7.589 -5.934 11.121 498 HG2 GLU 57 2HG GLU 57 9.606 -7.951 10.091 499 HG3 GLU 57 3HG GLU 57 9.386 -7.486 11.775 500 H LYS 58 H LYS 58 7.803 -8.635 8.109 501 HA LYS 58 HA LYS 58 10.248 -8.477 6.678 502 HB2 LYS 58 2HB LYS 58 9.713 -10.742 5.887 503 HB3 LYS 58 3HB LYS 58 9.354 -10.585 7.604 504 HG2 LYS 58 2HG LYS 58 6.924 -10.203 6.954 505 HG3 LYS 58 3HG LYS 58 7.375 -10.647 5.308 506 HD2 LYS 58 2HD LYS 58 6.439 -12.592 6.399 507 HD3 LYS 58 3HD LYS 58 8.166 -12.866 6.171 508 HE2 LYS 58 2HE LYS 58 8.562 -12.272 8.546 509 HE3 LYS 58 3HE LYS 58 6.831 -12.003 8.766 510 HZ1 LYS 58 3HZ LYS 58 8.092 -14.586 8.006 511 HZ2 LYS 58 1HZ LYS 58 6.443 -14.329 8.258 512 HZ3 LYS 58 2HZ LYS 58 7.524 -14.190 9.546 513 H LEU 59 H LEU 59 6.873 -8.033 5.703 514 HA LEU 59 HA LEU 59 7.460 -7.788 2.860 515 HB2 LEU 59 2HB LEU 59 4.889 -7.257 4.419 516 HB3 LEU 59 3HB LEU 59 5.029 -7.191 2.666 517 HG LEU 59 HG LEU 59 5.326 -9.678 4.406 518 HD11 LEU 59 1HD1 LEU 59 3.310 -10.467 3.276 519 HD12 LEU 59 2HD1 LEU 59 3.221 -8.977 2.334 520 HD13 LEU 59 3HD1 LEU 59 2.999 -8.930 4.084 521 HD21 LEU 59 3HD2 LEU 59 5.600 -10.954 2.322 522 HD22 LEU 59 1HD2 LEU 59 6.912 -9.796 2.531 523 HD23 LEU 59 2HD2 LEU 59 5.612 -9.457 1.387 524 H LEU 60 H LEU 60 7.014 -5.706 5.648 525 HA LEU 60 HA LEU 60 6.629 -3.230 4.357 526 HB2 LEU 60 2HB LEU 60 6.162 -3.610 6.728 527 HB3 LEU 60 3HB LEU 60 7.858 -3.889 7.062 528 HG LEU 60 HG LEU 60 7.030 -1.182 5.973 529 HD11 LEU 60 1HD1 LEU 60 5.421 -1.592 7.759 530 HD12 LEU 60 2HD1 LEU 60 6.567 -0.334 8.210 531 HD13 LEU 60 3HD1 LEU 60 6.732 -1.959 8.885 532 HD21 LEU 60 3HD2 LEU 60 9.191 -1.976 7.969 533 HD22 LEU 60 1HD2 LEU 60 8.893 -0.343 7.358 534 HD23 LEU 60 2HD2 LEU 60 9.445 -1.607 6.264 535 H GLN 61 H GLN 61 9.558 -4.686 5.703 536 HA GLN 61 HA GLN 61 11.416 -2.748 4.820 537 HB2 GLN 61 2HB GLN 61 11.860 -5.672 5.577 538 HB3 GLN 61 3HB GLN 61 13.120 -4.441 5.485 539 HG2 GLN 61 2HG GLN 61 12.252 -3.268 7.385 540 HG3 GLN 61 3HG GLN 61 10.746 -4.184 7.353 541 HE21 GLN 61 1HE2 GLN 61 10.956 -4.880 9.498 542 HE22 GLN 61 2HE2 GLN 61 12.141 -6.041 9.990 543 H LYS 62 H LYS 62 10.113 -5.672 3.336 544 HA LYS 62 HA LYS 62 12.030 -5.976 1.260 545 HB2 LYS 62 2HB LYS 62 10.562 -7.795 2.056 546 HB3 LYS 62 3HB LYS 62 9.153 -6.966 1.405 547 HG2 LYS 62 2HG LYS 62 9.871 -7.347 -0.859 548 HG3 LYS 62 3HG LYS 62 11.472 -7.877 -0.327 549 HD2 LYS 62 2HD LYS 62 10.436 -9.843 0.795 550 HD3 LYS 62 3HD LYS 62 8.850 -9.330 0.210 551 HE2 LYS 62 2HE LYS 62 9.486 -9.737 -2.078 552 HE3 LYS 62 3HE LYS 62 11.176 -9.979 -1.624 553 HZ1 LYS 62 3HZ LYS 62 10.626 -11.971 -0.499 554 HZ2 LYS 62 1HZ LYS 62 9.932 -12.055 -2.033 555 HZ3 LYS 62 2HZ LYS 62 8.967 -11.720 -0.687 556 H ILE 63 H ILE 63 8.679 -4.679 1.178 557 HA ILE 63 HA ILE 63 8.662 -3.716 -1.449 558 HB ILE 63 HB ILE 63 7.025 -3.122 1.025 559 HG12 ILE 63 2HG1 ILE 63 5.114 -3.838 -0.415 560 HG13 ILE 63 3HG1 ILE 63 6.187 -3.948 -1.802 561 HG21 ILE 63 1HG2 ILE 63 6.772 -1.406 -1.466 562 HG22 ILE 63 2HG2 ILE 63 7.272 -0.858 0.136 563 HG23 ILE 63 3HG2 ILE 63 5.624 -1.433 -0.124 564 HD11 ILE 63 3HD1 ILE 63 5.681 -6.134 -0.962 565 HD12 ILE 63 1HD1 ILE 63 6.227 -5.692 0.655 566 HD13 ILE 63 2HD1 ILE 63 7.387 -5.793 -0.671 567 H LYS 64 H LYS 64 9.871 -2.256 1.516 568 HA LYS 64 HA LYS 64 10.353 0.376 0.588 569 HB2 LYS 64 2HB LYS 64 10.187 -0.505 3.003 570 HB3 LYS 64 3HB LYS 64 11.836 -1.073 2.830 571 HG2 LYS 64 2HG LYS 64 11.070 1.836 2.462 572 HG3 LYS 64 3HG LYS 64 11.448 1.155 4.042 573 HD2 LYS 64 2HD LYS 64 13.721 0.590 3.272 574 HD3 LYS 64 3HD LYS 64 13.344 1.210 1.662 575 HE2 LYS 64 2HE LYS 64 13.427 2.827 4.228 576 HE3 LYS 64 3HE LYS 64 14.629 2.856 2.935 577 HZ1 LYS 64 3HZ LYS 64 11.816 3.784 2.791 578 HZ2 LYS 64 1HZ LYS 64 12.827 3.642 1.441 579 HZ3 LYS 64 2HZ LYS 64 13.216 4.719 2.675 580 H GLN 65 H GLN 65 12.481 -2.498 0.829 581 HA GLN 65 HA GLN 65 14.862 -1.095 -0.010 582 HB2 GLN 65 2HB GLN 65 14.309 -4.050 0.484 583 HB3 GLN 65 3HB GLN 65 15.890 -3.443 -0.005 584 HG2 GLN 65 2HG GLN 65 16.093 -2.152 2.036 585 HG3 GLN 65 3HG GLN 65 14.449 -2.573 2.518 586 HE21 GLN 65 1HE2 GLN 65 14.033 -4.673 3.282 587 HE22 GLN 65 2HE2 GLN 65 15.290 -5.753 3.764 588 H GLU 66 H GLU 66 12.464 -3.099 -1.617 589 HA GLU 66 HA GLU 66 14.089 -3.530 -3.990 590 HB2 GLU 66 2HB GLU 66 11.184 -4.230 -3.412 591 HB3 GLU 66 3HB GLU 66 12.088 -4.743 -4.831 592 HG2 GLU 66 2HG GLU 66 12.758 -5.508 -1.978 593 HG3 GLU 66 3HG GLU 66 11.845 -6.511 -3.103 594 H ALA 67 H ALA 67 11.156 -1.600 -3.142 595 HA ALA 67 HA ALA 67 10.995 -0.451 -5.824 596 HB1 ALA 67 3HB ALA 67 9.316 0.133 -3.360 597 HB2 ALA 67 1HB ALA 67 8.928 -1.029 -4.633 598 HB3 ALA 67 2HB ALA 67 8.988 0.694 -5.003 599 H ASN 68 H ASN 68 12.351 0.385 -2.749 600 HA ASN 68 HA ASN 68 13.554 2.085 -1.901 601 HB2 ASN 68 2HB ASN 68 14.855 1.879 -4.062 602 HB3 ASN 68 3HB ASN 68 13.860 3.162 -4.742 603 HD21 ASN 68 1HD2 ASN 68 15.536 4.625 -5.033 604 HD22 ASN 68 2HD2 ASN 68 16.426 5.341 -3.731 605 H VAL 69 H VAL 69 11.301 2.516 -1.084 606 HA VAL 69 HA VAL 69 10.349 5.228 -1.787 607 HB VAL 69 HB VAL 69 7.963 4.426 -1.595 608 HG11 VAL 69 1HG1 VAL 69 8.982 4.813 -3.808 609 HG12 VAL 69 2HG1 VAL 69 7.803 3.505 -3.856 610 HG13 VAL 69 3HG1 VAL 69 9.529 3.132 -3.860 611 HG21 VAL 69 3HG2 VAL 69 8.318 2.333 -0.341 612 HG22 VAL 69 1HG2 VAL 69 9.188 1.631 -1.707 613 HG23 VAL 69 2HG2 VAL 69 7.466 1.996 -1.848 614 H GLN 70 H GLN 70 8.942 6.190 -0.204 615 HA GLN 70 HA GLN 70 9.696 5.760 2.556 616 HB2 GLN 70 2HB GLN 70 7.752 7.707 1.228 617 HB3 GLN 70 3HB GLN 70 8.128 7.716 2.951 618 HG2 GLN 70 2HG GLN 70 10.445 8.282 2.504 619 HG3 GLN 70 3HG GLN 70 10.192 8.116 0.768 620 HE21 GLN 70 1HE2 GLN 70 9.431 10.081 3.587 621 HE22 GLN 70 2HE2 GLN 70 9.005 11.507 2.708 622 H VAL 71 H VAL 71 8.570 4.606 4.020 623 HA VAL 71 HA VAL 71 6.019 3.346 3.256 624 HB VAL 71 HB VAL 71 8.091 2.642 5.390 625 HG11 VAL 71 1HG1 VAL 71 5.407 1.286 4.903 626 HG12 VAL 71 2HG1 VAL 71 5.883 2.172 6.352 627 HG13 VAL 71 3HG1 VAL 71 6.690 0.663 5.940 628 HG21 VAL 71 3HG2 VAL 71 8.682 2.008 3.074 629 HG22 VAL 71 1HG2 VAL 71 7.155 1.134 2.912 630 HG23 VAL 71 2HG2 VAL 71 8.377 0.575 4.058 631 H TYR 72 H TYR 72 4.159 3.973 4.168 632 HA TYR 72 HA TYR 72 4.128 5.157 6.895 633 HB2 TYR 72 2HB TYR 72 2.182 5.649 4.571 634 HB3 TYR 72 3HB TYR 72 1.977 6.272 6.204 635 HD1 TYR 72 HD2 TYR 72 4.175 6.499 3.168 636 HD2 TYR 72 HD1 TYR 72 3.048 8.319 6.876 637 HE1 TYR 72 HE2 TYR 72 5.473 8.503 2.585 638 HE2 TYR 72 HE1 TYR 72 4.353 10.318 6.281 639 HH TYR 72 HH TYR 72 6.305 10.870 4.801 640 H ARG 73 H ARG 73 3.718 3.280 8.092 641 HA ARG 73 HA ARG 73 1.891 1.248 6.976 642 HB2 ARG 73 2HB ARG 73 4.106 0.498 7.938 643 HB3 ARG 73 3HB ARG 73 3.574 1.068 9.520 644 HG2 ARG 73 2HG ARG 73 1.568 -0.546 9.254 645 HG3 ARG 73 3HG ARG 73 2.444 -1.234 7.887 646 HD2 ARG 73 2HD ARG 73 4.343 -1.735 9.421 647 HD3 ARG 73 3HD ARG 73 3.390 -1.121 10.768 648 HE ARG 73 HE ARG 73 3.160 -3.686 9.461 649 HH11 ARG 73 1HH1 ARG 73 1.428 -1.376 11.476 650 HH12 ARG 73 2HH1 ARG 73 0.357 -2.579 12.121 651 HH21 ARG 73 1HH2 ARG 73 1.785 -5.244 10.376 652 HH22 ARG 73 2HH2 ARG 73 0.558 -4.755 11.503 653 H VAL 74 H VAL 74 -0.196 1.425 7.495 654 HA VAL 74 HA VAL 74 -0.999 2.804 9.988 655 HB VAL 74 HB VAL 74 -3.097 3.381 8.929 656 HG11 VAL 74 1HG1 VAL 74 -0.792 3.987 7.031 657 HG12 VAL 74 2HG1 VAL 74 -1.223 4.902 8.477 658 HG13 VAL 74 3HG1 VAL 74 -2.322 4.868 7.099 659 HG21 VAL 74 3HG2 VAL 74 -2.216 1.791 6.489 660 HG22 VAL 74 1HG2 VAL 74 -3.654 2.816 6.579 661 HG23 VAL 74 2HG2 VAL 74 -3.531 1.376 7.590 662 H THR 75 H THR 75 -2.264 1.800 11.436 663 HA THR 75 HA THR 75 -2.761 -1.073 11.176 664 HB THR 75 HB THR 75 -3.404 -0.843 13.638 665 HG1 THR 75 HG1 THR 75 -3.679 1.125 14.323 666 HG21 THR 75 3HG2 THR 75 -1.098 -0.567 14.456 667 HG22 THR 75 1HG2 THR 75 -0.612 0.114 12.896 668 HG23 THR 75 2HG2 THR 75 -1.126 -1.569 13.007 669 H SER 76 H SER 76 -4.491 1.834 10.733 670 HA SER 76 HA SER 76 -7.044 0.439 10.608 671 HB2 SER 76 2HB SER 76 -6.891 1.217 12.986 672 HB3 SER 76 3HB SER 76 -6.696 2.874 12.416 673 HG SER 76 HG SER 76 -8.820 2.742 12.742 674 H ASN 77 H ASN 77 -8.755 1.863 9.800 675 HA ASN 77 HA ASN 77 -8.030 3.149 7.395 676 HB2 ASN 77 2HB ASN 77 -10.510 3.687 7.239 677 HB3 ASN 77 3HB ASN 77 -10.123 1.986 7.466 678 HD21 ASN 77 1HD2 ASN 77 -12.127 1.459 8.297 679 HD22 ASN 77 2HD2 ASN 77 -12.683 1.981 9.848 680 H ASP 78 H ASP 78 -8.651 4.388 10.619 681 HA ASP 78 HA ASP 78 -9.133 7.102 10.150 682 HB2 ASP 78 2HB ASP 78 -7.364 5.979 12.379 683 HB3 ASP 78 3HB ASP 78 -8.165 7.550 12.378 684 H GLU 79 H GLU 79 -6.049 5.471 10.709 685 HA GLU 79 HA GLU 79 -4.331 7.648 10.324 686 HB2 GLU 79 2HB GLU 79 -3.640 4.717 9.877 687 HB3 GLU 79 3HB GLU 79 -2.536 6.011 10.333 688 HG2 GLU 79 2HG GLU 79 -4.708 4.756 12.024 689 HG3 GLU 79 3HG GLU 79 -2.968 4.616 12.253 690 H LEU 80 H LEU 80 -5.510 5.151 8.123 691 HA LEU 80 HA LEU 80 -3.957 5.609 5.847 692 HB2 LEU 80 2HB LEU 80 -5.357 3.622 6.162 693 HB3 LEU 80 3HB LEU 80 -6.812 4.586 6.147 694 HG LEU 80 HG LEU 80 -6.244 3.142 4.053 695 HD11 LEU 80 1HD1 LEU 80 -7.007 6.017 3.584 696 HD12 LEU 80 2HD1 LEU 80 -8.093 4.705 4.040 697 HD13 LEU 80 3HD1 LEU 80 -7.276 4.665 2.480 698 HD21 LEU 80 3HD2 LEU 80 -4.413 5.474 3.420 699 HD22 LEU 80 1HD2 LEU 80 -4.835 4.147 2.333 700 HD23 LEU 80 2HD2 LEU 80 -3.893 3.828 3.785 701 H GLU 81 H GLU 81 -7.207 6.880 6.647 702 HA GLU 81 HA GLU 81 -7.557 8.441 4.317 703 HB2 GLU 81 2HB GLU 81 -8.903 8.647 7.051 704 HB3 GLU 81 3HB GLU 81 -9.448 9.499 5.606 705 HG2 GLU 81 2HG GLU 81 -9.967 7.416 4.486 706 HG3 GLU 81 3HG GLU 81 -9.235 6.482 5.788 707 H GLN 82 H GLN 82 -6.217 9.197 7.522 708 HA GLN 82 HA GLN 82 -5.978 12.004 7.191 709 HB2 GLN 82 2HB GLN 82 -4.434 10.101 8.999 710 HB3 GLN 82 3HB GLN 82 -4.318 11.852 9.089 711 HG2 GLN 82 2HG GLN 82 -6.775 10.177 9.642 712 HG3 GLN 82 3HG GLN 82 -5.795 11.027 10.829 713 HE21 GLN 82 1HE2 GLN 82 -5.947 13.310 10.934 714 HE22 GLN 82 2HE2 GLN 82 -7.306 14.160 10.284 715 H VAL 83 H VAL 83 -3.779 9.323 6.410 716 HA VAL 83 HA VAL 83 -1.564 10.899 5.544 717 HB VAL 83 HB VAL 83 -2.319 8.046 4.733 718 HG11 VAL 83 1HG1 VAL 83 -0.838 8.987 3.013 719 HG12 VAL 83 2HG1 VAL 83 0.049 7.806 3.975 720 HG13 VAL 83 3HG1 VAL 83 0.300 9.530 4.248 721 HG21 VAL 83 3HG2 VAL 83 -1.840 8.315 7.148 722 HG22 VAL 83 1HG2 VAL 83 -0.272 9.021 6.762 723 HG23 VAL 83 2HG2 VAL 83 -0.607 7.336 6.355 724 H VAL 84 H VAL 84 -4.428 9.615 3.857 725 HA VAL 84 HA VAL 84 -3.630 10.334 1.216 726 HB VAL 84 HB VAL 84 -6.474 9.842 2.225 727 HG11 VAL 84 1HG1 VAL 84 -5.351 9.695 -0.604 728 HG12 VAL 84 2HG1 VAL 84 -6.466 10.918 0.011 729 HG13 VAL 84 3HG1 VAL 84 -6.990 9.240 -0.125 730 HG21 VAL 84 3HG2 VAL 84 -6.186 7.508 1.493 731 HG22 VAL 84 1HG2 VAL 84 -4.991 7.925 2.722 732 HG23 VAL 84 2HG2 VAL 84 -4.516 7.844 1.029 733 H LYS 85 H LYS 85 -5.269 12.119 3.783 734 HA LYS 85 HA LYS 85 -6.149 14.388 2.290 735 HB2 LYS 85 2HB LYS 85 -5.268 14.199 5.212 736 HB3 LYS 85 3HB LYS 85 -6.067 15.602 4.505 737 HG2 LYS 85 2HG LYS 85 -8.096 14.330 4.125 738 HG3 LYS 85 3HG LYS 85 -7.302 12.837 4.626 739 HD2 LYS 85 2HD LYS 85 -8.706 13.612 6.437 740 HD3 LYS 85 3HD LYS 85 -7.018 13.790 6.918 741 HE2 LYS 85 2HE LYS 85 -8.250 15.748 7.627 742 HE3 LYS 85 3HE LYS 85 -7.166 16.225 6.322 743 HZ1 LYS 85 3HZ LYS 85 -9.372 17.190 6.083 744 HZ2 LYS 85 1HZ LYS 85 -10.068 15.650 6.027 745 HZ3 LYS 85 2HZ LYS 85 -9.030 16.156 4.794 746 H ASP 86 H ASP 86 -3.115 13.550 3.896 747 HA ASP 86 HA ASP 86 -1.930 16.175 3.514 748 HB2 ASP 86 2HB ASP 86 -1.678 14.825 5.628 749 HB3 ASP 86 3HB ASP 86 -0.703 13.660 4.740 750 H VAL 87 H VAL 87 -1.810 13.062 1.914 751 HA VAL 87 HA VAL 87 0.763 13.319 0.699 752 HB VAL 87 HB VAL 87 -0.534 11.126 1.011 753 HG11 VAL 87 1HG1 VAL 87 -1.942 11.977 -1.544 754 HG12 VAL 87 2HG1 VAL 87 -2.691 11.842 0.046 755 HG13 VAL 87 3HG1 VAL 87 -2.072 10.399 -0.756 756 HG21 VAL 87 3HG2 VAL 87 0.655 11.644 -1.742 757 HG22 VAL 87 1HG2 VAL 87 0.435 10.056 -0.994 758 HG23 VAL 87 2HG2 VAL 87 1.556 11.220 -0.285 759 H LYS 88 H LYS 88 -2.334 14.684 -0.029 760 HA LYS 88 HA LYS 88 -2.068 15.248 -2.783 761 HB2 LYS 88 2HB LYS 88 -3.555 16.808 -0.624 762 HB3 LYS 88 3HB LYS 88 -3.775 17.026 -2.362 763 HG2 LYS 88 2HG LYS 88 -4.612 14.715 -2.563 764 HG3 LYS 88 3HG LYS 88 -4.359 14.467 -0.830 765 HD2 LYS 88 2HD LYS 88 -6.019 16.257 -0.346 766 HD3 LYS 88 3HD LYS 88 -6.288 16.471 -2.080 767 HE2 LYS 88 2HE LYS 88 -7.119 14.159 -2.237 768 HE3 LYS 88 3HE LYS 88 -6.818 13.926 -0.514 769 HZ1 LYS 88 3HZ LYS 88 -8.442 15.670 -0.049 770 HZ2 LYS 88 1HZ LYS 88 -9.125 14.396 -0.925 771 HZ3 LYS 88 2HZ LYS 88 -8.748 15.845 -1.703 772 H GLY 89 H GLY 89 -0.600 16.662 0.027 773 HA2 GLY 89 2HA GLY 89 0.269 19.137 -1.118 774 HA3 GLY 89 3HA GLY 89 0.839 18.404 0.369 775 H SER 90 H SER 90 1.281 16.037 -1.953 776 HA SER 90 HA SER 90 4.053 16.504 -2.420 777 HB2 SER 90 2HB SER 90 2.176 14.764 -4.090 778 HB3 SER 90 3HB SER 90 3.935 14.632 -3.991 779 HG SER 90 HG SER 90 2.079 13.514 -2.440 780 H GLY 91 H GLY 91 1.076 17.213 -4.223 781 HA2 GLY 91 2HA GLY 91 0.700 19.079 -5.558 782 HA3 GLY 91 3HA GLY 91 2.429 19.353 -5.683 783 H LEU 92 H LEU 92 3.320 16.925 -6.651 784 HA LEU 92 HA LEU 92 3.044 17.357 -9.410 785 HB2 LEU 92 2HB LEU 92 4.284 15.037 -7.883 786 HB3 LEU 92 3HB LEU 92 4.327 15.139 -9.632 787 HG LEU 92 HG LEU 92 6.452 15.884 -8.873 788 HD11 LEU 92 1HD1 LEU 92 4.900 18.399 -9.568 789 HD12 LEU 92 2HD1 LEU 92 5.559 17.232 -10.716 790 HD13 LEU 92 3HD1 LEU 92 6.648 18.172 -9.700 791 HD21 LEU 92 3HD2 LEU 92 5.961 16.322 -6.521 792 HD22 LEU 92 1HD2 LEU 92 5.111 17.811 -6.948 793 HD23 LEU 92 2HD2 LEU 92 6.848 17.666 -7.232 794 H GLU 93 H GLU 93 1.198 17.024 -10.445 795 HA GLU 93 HA GLU 93 0.083 14.287 -10.589 796 HB2 GLU 93 2HB GLU 93 -1.496 15.688 -9.261 797 HB3 GLU 93 3HB GLU 93 -1.530 16.890 -10.542 798 HG2 GLU 93 2HG GLU 93 -3.554 15.634 -10.706 799 HG3 GLU 93 3HG GLU 93 -2.542 15.133 -12.058 800 H HIS 94 H HIS 94 0.539 13.643 -12.653 801 HA HIS 94 HA HIS 94 1.062 15.470 -14.802 802 HB2 HIS 94 2HB HIS 94 2.060 13.121 -14.594 803 HB3 HIS 94 3HB HIS 94 0.487 12.474 -15.058 804 HD1 HIS 94 HD1 HIS 94 3.459 14.308 -16.406 805 HD2 HIS 94 HD2 HIS 94 -0.147 12.777 -17.803 806 HE1 HIS 94 HE1 HIS 94 3.595 14.431 -18.909 807 HE2 HIS 94 HE2 HIS 94 1.469 13.368 -19.725 808 H HIS 95 H HIS 95 -1.583 13.331 -13.911 809 HA HIS 95 HA HIS 95 -3.632 14.975 -15.058 810 HB2 HIS 95 2HB HIS 95 -2.792 13.724 -17.103 811 HB3 HIS 95 3HB HIS 95 -3.200 12.207 -16.312 812 HD1 HIS 95 HD1 HIS 95 -5.770 11.702 -15.993 813 HD2 HIS 95 HD2 HIS 95 -4.926 15.064 -18.287 814 HE1 HIS 95 HE1 HIS 95 -7.914 12.285 -17.154 815 HE2 HIS 95 HE2 HIS 95 -7.286 14.140 -18.728 816 H HIS 96 H HIS 96 -5.445 14.621 -13.861 817 HA HIS 96 HA HIS 96 -5.381 13.194 -11.468 818 HB2 HIS 96 2HB HIS 96 -6.812 15.193 -11.972 819 HB3 HIS 96 3HB HIS 96 -7.845 14.185 -12.975 820 HD1 HIS 96 HD1 HIS 96 -9.726 12.980 -11.814 821 HD2 HIS 96 HD2 HIS 96 -6.959 14.556 -9.134 822 HE1 HIS 96 HE1 HIS 96 -10.740 12.679 -9.529 823 HE2 HIS 96 HE2 HIS 96 -8.990 13.517 -7.930 824 H HIS 97 H HIS 97 -5.073 11.032 -11.490 825 HA HIS 97 HA HIS 97 -5.975 9.265 -13.562 826 HB2 HIS 97 2HB HIS 97 -4.575 8.723 -10.915 827 HB3 HIS 97 3HB HIS 97 -4.899 7.480 -12.116 828 HD1 HIS 97 HD1 HIS 97 -2.673 10.438 -11.443 829 HD2 HIS 97 HD2 HIS 97 -3.178 7.475 -14.317 830 HE1 HIS 97 HE1 HIS 97 -0.600 10.507 -12.860 831 HE2 HIS 97 HE2 HIS 97 -1.043 8.862 -14.713 832 H HIS 98 H HIS 98 -7.939 8.418 -13.700 833 HA HIS 98 HA HIS 98 -9.716 8.091 -11.375 834 HB2 HIS 98 2HB HIS 98 -10.253 7.723 -14.362 835 HB3 HIS 98 3HB HIS 98 -11.464 7.554 -13.093 836 HD1 HIS 98 HD1 HIS 98 -12.617 9.647 -12.326 837 HD2 HIS 98 HD2 HIS 98 -9.320 10.434 -14.723 838 HE1 HIS 98 HE1 HIS 98 -12.714 12.102 -12.833 839 HE2 HIS 98 HE2 HIS 98 -10.826 12.501 -14.439 840 H HIS 99 H HIS 99 -10.258 6.109 -10.549 841 HA HIS 99 HA HIS 99 -9.408 3.657 -11.980 842 HB2 HIS 99 2HB HIS 99 -7.829 4.162 -10.114 843 HB3 HIS 99 3HB HIS 99 -9.168 4.160 -8.974 844 HD1 HIS 99 HD1 HIS 99 -9.401 2.034 -7.762 845 HD2 HIS 99 HD2 HIS 99 -7.657 1.462 -11.487 846 HE1 HIS 99 HE1 HIS 99 -8.843 -0.402 -7.870 847 HE2 HIS 99 HE2 HIS 99 -7.968 -0.756 -10.200 Start of MODEL 4 1 H1 MET 1 1H MET 1 -0.700 14.392 -7.913 2 H2 MET 1 2H MET 1 -0.638 16.003 -8.414 3 H3 MET 1 3H MET 1 -1.002 15.628 -6.806 4 HA MET 1 HA MET 1 1.544 15.066 -8.172 5 HB2 MET 1 2HB MET 1 2.482 16.831 -6.613 6 HB3 MET 1 3HB MET 1 1.409 17.448 -7.856 7 HG2 MET 1 2HG MET 1 -0.389 17.707 -6.225 8 HG3 MET 1 3HG MET 1 0.613 16.989 -4.965 9 HE1 MET 1 3HE MET 1 3.418 19.717 -4.531 10 HE2 MET 1 1HE MET 1 3.482 18.301 -5.578 11 HE3 MET 1 2HE MET 1 2.802 18.167 -3.956 12 H GLY 2 H GLY 2 2.175 13.153 -7.429 13 HA2 GLY 2 2HA GLY 2 3.235 11.848 -5.747 14 HA3 GLY 2 3HA GLY 2 2.233 12.617 -4.523 15 H ARG 3 H ARG 3 2.367 10.216 -7.046 16 HA ARG 3 HA ARG 3 -0.235 9.106 -6.776 17 HB2 ARG 3 2HB ARG 3 2.387 7.815 -7.662 18 HB3 ARG 3 3HB ARG 3 0.801 7.071 -7.845 19 HG2 ARG 3 2HG ARG 3 1.640 9.685 -9.152 20 HG3 ARG 3 3HG ARG 3 1.667 8.106 -9.939 21 HD2 ARG 3 2HD ARG 3 -0.791 7.917 -9.606 22 HD3 ARG 3 3HD ARG 3 -0.804 9.521 -8.870 23 HE ARG 3 HE ARG 3 0.098 10.318 -11.090 24 HH11 ARG 3 1HH1 ARG 3 -1.998 7.482 -10.904 25 HH12 ARG 3 2HH1 ARG 3 -2.601 7.681 -12.518 26 HH21 ARG 3 1HH2 ARG 3 -0.707 10.572 -13.178 27 HH22 ARG 3 2HH2 ARG 3 -1.862 9.443 -13.805 28 H LEU 4 H LEU 4 -0.997 7.510 -5.418 29 HA LEU 4 HA LEU 4 0.792 6.458 -3.309 30 HB2 LEU 4 2HB LEU 4 -0.842 8.174 -2.497 31 HB3 LEU 4 3HB LEU 4 -2.157 7.163 -3.070 32 HG LEU 4 HG LEU 4 -1.431 5.368 -1.449 33 HD11 LEU 4 1HD1 LEU 4 0.133 5.935 0.339 34 HD12 LEU 4 2HD1 LEU 4 0.474 7.484 -0.422 35 HD13 LEU 4 3HD1 LEU 4 0.913 5.979 -1.232 36 HD21 LEU 4 3HD2 LEU 4 -2.102 8.035 -0.165 37 HD22 LEU 4 1HD2 LEU 4 -2.323 6.441 0.563 38 HD23 LEU 4 2HD2 LEU 4 -3.258 6.897 -0.858 39 H VAL 5 H VAL 5 1.022 4.314 -3.399 40 HA VAL 5 HA VAL 5 -1.222 2.577 -4.247 41 HB VAL 5 HB VAL 5 1.717 1.862 -3.772 42 HG11 VAL 5 1HG1 VAL 5 1.159 -0.417 -4.580 43 HG12 VAL 5 2HG1 VAL 5 -0.548 0.029 -4.651 44 HG13 VAL 5 3HG1 VAL 5 0.284 -0.026 -3.096 45 HG21 VAL 5 3HG2 VAL 5 1.363 3.068 -5.889 46 HG22 VAL 5 1HG2 VAL 5 0.117 1.907 -6.357 47 HG23 VAL 5 2HG2 VAL 5 1.797 1.384 -6.195 48 H VAL 6 H VAL 6 -2.384 1.588 -2.654 49 HA VAL 6 HA VAL 6 -1.287 1.527 0.106 50 HB VAL 6 HB VAL 6 -4.216 1.406 -0.756 51 HG11 VAL 6 1HG1 VAL 6 -4.747 1.605 1.652 52 HG12 VAL 6 2HG1 VAL 6 -3.025 1.528 2.036 53 HG13 VAL 6 3HG1 VAL 6 -3.829 0.135 1.309 54 HG21 VAL 6 3HG2 VAL 6 -4.427 3.667 0.249 55 HG22 VAL 6 1HG2 VAL 6 -3.300 3.659 -1.111 56 HG23 VAL 6 2HG2 VAL 6 -2.687 3.692 0.543 57 H VAL 7 H VAL 7 -0.289 -0.388 0.224 58 HA VAL 7 HA VAL 7 -1.338 -2.835 -0.949 59 HB VAL 7 HB VAL 7 1.086 -2.445 0.858 60 HG11 VAL 7 1HG1 VAL 7 0.392 -4.782 0.729 61 HG12 VAL 7 2HG1 VAL 7 1.921 -4.550 -0.121 62 HG13 VAL 7 3HG1 VAL 7 0.421 -4.717 -1.036 63 HG21 VAL 7 3HG2 VAL 7 1.011 -2.378 -2.176 64 HG22 VAL 7 1HG2 VAL 7 2.468 -2.346 -1.179 65 HG23 VAL 7 2HG2 VAL 7 1.323 -1.006 -1.108 66 H VAL 8 H VAL 8 -2.656 -4.160 0.145 67 HA VAL 8 HA VAL 8 -2.846 -4.078 3.100 68 HB VAL 8 HB VAL 8 -5.306 -4.358 2.946 69 HG11 VAL 8 1HG1 VAL 8 -5.931 -2.072 2.237 70 HG12 VAL 8 2HG1 VAL 8 -4.360 -1.878 1.453 71 HG13 VAL 8 3HG1 VAL 8 -4.457 -2.070 3.206 72 HG21 VAL 8 3HG2 VAL 8 -6.519 -4.061 0.817 73 HG22 VAL 8 1HG2 VAL 8 -5.450 -5.462 0.747 74 HG23 VAL 8 2HG2 VAL 8 -4.987 -3.959 -0.056 75 H THR 9 H THR 9 -3.707 -6.103 3.994 76 HA THR 9 HA THR 9 -3.188 -8.478 2.285 77 HB THR 9 HB THR 9 -2.762 -9.680 4.453 78 HG1 THR 9 HG1 THR 9 -2.462 -7.270 5.826 79 HG21 THR 9 3HG2 THR 9 -0.844 -8.747 3.178 80 HG22 THR 9 1HG2 THR 9 -0.554 -8.689 4.915 81 HG23 THR 9 2HG2 THR 9 -1.011 -7.218 4.050 82 H SER 10 H SER 10 -5.753 -6.739 3.280 83 HA SER 10 HA SER 10 -7.522 -9.093 3.412 84 HB2 SER 10 2HB SER 10 -7.739 -6.613 5.182 85 HB3 SER 10 3HB SER 10 -8.898 -7.940 5.124 86 HG SER 10 HG SER 10 -6.662 -9.132 5.578 87 H GLU 11 H GLU 11 -9.176 -8.954 2.014 88 HA GLU 11 HA GLU 11 -9.492 -6.914 0.111 89 HB2 GLU 11 2HB GLU 11 -10.221 -9.206 -0.319 90 HB3 GLU 11 3HB GLU 11 -11.416 -9.117 0.969 91 HG2 GLU 11 2HG GLU 11 -12.491 -8.958 -1.219 92 HG3 GLU 11 3HG GLU 11 -12.706 -7.455 -0.323 93 H GLN 12 H GLN 12 -11.044 -7.383 3.245 94 HA GLN 12 HA GLN 12 -13.150 -5.555 3.152 95 HB2 GLN 12 2HB GLN 12 -12.727 -7.161 5.019 96 HB3 GLN 12 3HB GLN 12 -11.335 -6.210 5.524 97 HG2 GLN 12 2HG GLN 12 -12.905 -4.280 5.942 98 HG3 GLN 12 3HG GLN 12 -14.246 -5.360 5.588 99 HE21 GLN 12 1HE2 GLN 12 -13.017 -7.672 7.000 100 HE22 GLN 12 2HE2 GLN 12 -13.173 -7.304 8.679 101 H LEU 13 H LEU 13 -9.710 -5.053 3.693 102 HA LEU 13 HA LEU 13 -9.865 -2.215 4.171 103 HB2 LEU 13 2HB LEU 13 -7.473 -3.975 3.504 104 HB3 LEU 13 3HB LEU 13 -7.385 -2.314 4.071 105 HG LEU 13 HG LEU 13 -8.496 -4.643 5.691 106 HD11 LEU 13 1HD1 LEU 13 -5.813 -3.250 5.963 107 HD12 LEU 13 2HD1 LEU 13 -6.080 -4.882 5.346 108 HD13 LEU 13 3HD1 LEU 13 -6.450 -4.508 7.028 109 HD21 LEU 13 3HD2 LEU 13 -7.945 -1.772 6.525 110 HD22 LEU 13 1HD2 LEU 13 -8.483 -3.078 7.585 111 HD23 LEU 13 2HD2 LEU 13 -9.536 -2.505 6.295 112 H LYS 14 H LYS 14 -8.996 -4.323 1.413 113 HA LYS 14 HA LYS 14 -8.009 -2.409 -0.372 114 HB2 LYS 14 2HB LYS 14 -7.631 -4.738 -0.822 115 HB3 LYS 14 3HB LYS 14 -9.354 -5.090 -0.832 116 HG2 LYS 14 2HG LYS 14 -9.629 -3.899 -2.953 117 HG3 LYS 14 3HG LYS 14 -7.929 -3.417 -2.936 118 HD2 LYS 14 2HD LYS 14 -7.165 -5.585 -3.432 119 HD3 LYS 14 3HD LYS 14 -8.631 -6.358 -2.825 120 HE2 LYS 14 2HE LYS 14 -8.531 -4.681 -5.351 121 HE3 LYS 14 3HE LYS 14 -8.383 -6.441 -5.323 122 HZ1 LYS 14 3HZ LYS 14 -10.564 -6.591 -4.341 123 HZ2 LYS 14 1HZ LYS 14 -10.645 -5.718 -5.785 124 HZ3 LYS 14 2HZ LYS 14 -10.717 -4.909 -4.301 125 H GLU 15 H GLU 15 -11.274 -3.848 -0.376 126 HA GLU 15 HA GLU 15 -12.511 -2.229 -2.235 127 HB2 GLU 15 2HB GLU 15 -14.637 -2.929 -1.297 128 HB3 GLU 15 3HB GLU 15 -13.527 -4.292 -1.269 129 HG2 GLU 15 2HG GLU 15 -13.157 -3.984 1.135 130 HG3 GLU 15 3HG GLU 15 -14.189 -2.554 1.132 131 H GLU 16 H GLU 16 -11.888 -1.633 1.188 132 HA GLU 16 HA GLU 16 -13.736 0.485 1.574 133 HB2 GLU 16 2HB GLU 16 -12.780 -0.947 3.394 134 HB3 GLU 16 3HB GLU 16 -11.222 -0.163 3.164 135 HG2 GLU 16 2HG GLU 16 -12.289 0.804 5.092 136 HG3 GLU 16 3HG GLU 16 -12.258 2.016 3.815 137 H VAL 17 H VAL 17 -10.189 0.503 1.112 138 HA VAL 17 HA VAL 17 -9.847 3.298 1.224 139 HB VAL 17 HB VAL 17 -8.014 1.358 -0.259 140 HG11 VAL 17 1HG1 VAL 17 -7.433 4.061 1.017 141 HG12 VAL 17 2HG1 VAL 17 -7.514 3.723 -0.713 142 HG13 VAL 17 3HG1 VAL 17 -6.233 3.004 0.265 143 HG21 VAL 17 3HG2 VAL 17 -8.380 0.528 2.035 144 HG22 VAL 17 1HG2 VAL 17 -7.921 2.097 2.691 145 HG23 VAL 17 2HG2 VAL 17 -6.731 1.114 1.835 146 H ARG 18 H ARG 18 -10.419 1.093 -1.566 147 HA ARG 18 HA ARG 18 -10.266 3.214 -3.525 148 HB2 ARG 18 2HB ARG 18 -11.467 0.432 -3.802 149 HB3 ARG 18 3HB ARG 18 -11.110 1.539 -5.132 150 HG2 ARG 18 2HG ARG 18 -8.699 1.470 -4.470 151 HG3 ARG 18 3HG ARG 18 -9.106 0.255 -3.257 152 HD2 ARG 18 2HD ARG 18 -8.222 -0.854 -5.219 153 HD3 ARG 18 3HD ARG 18 -9.939 -1.220 -5.082 154 HE ARG 18 HE ARG 18 -10.311 -0.162 -7.071 155 HH11 ARG 18 1HH1 ARG 18 -7.149 0.862 -5.939 156 HH12 ARG 18 2HH1 ARG 18 -6.754 1.686 -7.411 157 HH21 ARG 18 1HH2 ARG 18 -9.764 0.950 -8.999 158 HH22 ARG 18 2HH2 ARG 18 -8.221 1.733 -9.132 159 H LYS 19 H LYS 19 -12.787 2.017 -1.475 160 HA LYS 19 HA LYS 19 -15.082 2.883 -2.967 161 HB2 LYS 19 2HB LYS 19 -15.017 1.115 -1.144 162 HB3 LYS 19 3HB LYS 19 -14.843 2.401 0.037 163 HG2 LYS 19 2HG LYS 19 -17.072 3.247 -0.511 164 HG3 LYS 19 3HG LYS 19 -17.234 2.061 -1.812 165 HD2 LYS 19 2HD LYS 19 -17.001 1.442 1.168 166 HD3 LYS 19 3HD LYS 19 -18.468 1.322 0.196 167 HE2 LYS 19 2HE LYS 19 -17.451 -0.499 -1.132 168 HE3 LYS 19 3HE LYS 19 -15.955 -0.354 -0.208 169 HZ1 LYS 19 3HZ LYS 19 -17.060 -1.091 1.745 170 HZ2 LYS 19 1HZ LYS 19 -17.431 -2.192 0.524 171 HZ3 LYS 19 2HZ LYS 19 -18.578 -1.047 1.014 172 H LYS 20 H LYS 20 -13.087 4.227 -0.403 173 HA LYS 20 HA LYS 20 -14.482 6.758 -0.238 174 HB2 LYS 20 2HB LYS 20 -11.865 5.729 0.923 175 HB3 LYS 20 3HB LYS 20 -12.444 7.368 1.197 176 HG2 LYS 20 2HG LYS 20 -14.391 6.558 2.372 177 HG3 LYS 20 3HG LYS 20 -14.000 4.884 1.965 178 HD2 LYS 20 2HD LYS 20 -12.098 4.869 3.410 179 HD3 LYS 20 3HD LYS 20 -12.126 6.625 3.608 180 HE2 LYS 20 2HE LYS 20 -12.974 5.377 5.604 181 HE3 LYS 20 3HE LYS 20 -14.157 6.497 4.929 182 HZ1 LYS 20 3HZ LYS 20 -15.242 4.642 3.844 183 HZ2 LYS 20 1HZ LYS 20 -15.145 4.368 5.507 184 HZ3 LYS 20 2HZ LYS 20 -14.094 3.572 4.455 185 H PHE 21 H PHE 21 -11.473 5.520 -1.715 186 HA PHE 21 HA PHE 21 -10.975 8.130 -3.033 187 HB2 PHE 21 2HB PHE 21 -8.658 6.433 -2.041 188 HB3 PHE 21 3HB PHE 21 -8.675 8.142 -2.446 189 HD1 PHE 21 HD1 PHE 21 -9.955 9.747 -0.808 190 HD2 PHE 21 HD2 PHE 21 -8.824 5.744 0.217 191 HE1 PHE 21 HE1 PHE 21 -10.148 10.284 1.592 192 HE2 PHE 21 HE2 PHE 21 -9.029 6.296 2.600 193 HZ PHE 21 HZ PHE 21 -9.684 8.557 3.291 194 HA PRO 22 HA PRO 22 -10.902 4.838 -6.348 195 HB2 PRO 22 2HB PRO 22 -11.892 6.460 -8.345 196 HB3 PRO 22 3HB PRO 22 -12.940 5.636 -7.170 197 HG2 PRO 22 2HG PRO 22 -11.964 8.484 -7.136 198 HG3 PRO 22 3HG PRO 22 -13.605 7.855 -6.853 199 HD2 PRO 22 2HD PRO 22 -11.976 8.521 -4.797 200 HD3 PRO 22 3HD PRO 22 -13.117 7.165 -4.676 201 H GLN 23 H GLN 23 -9.222 7.692 -5.734 202 HA GLN 23 HA GLN 23 -7.786 7.987 -8.230 203 HB2 GLN 23 2HB GLN 23 -6.640 9.836 -7.121 204 HB3 GLN 23 3HB GLN 23 -8.371 9.945 -6.828 205 HG2 GLN 23 2HG GLN 23 -8.011 8.961 -4.556 206 HG3 GLN 23 3HG GLN 23 -6.273 8.972 -4.858 207 HE21 GLN 23 1HE2 GLN 23 -7.771 10.360 -2.769 208 HE22 GLN 23 2HE2 GLN 23 -7.439 12.043 -2.972 209 H VAL 24 H VAL 24 -7.271 6.313 -5.209 210 HA VAL 24 HA VAL 24 -4.386 5.972 -5.693 211 HB VAL 24 HB VAL 24 -4.255 5.048 -3.412 212 HG11 VAL 24 1HG1 VAL 24 -4.799 7.089 -2.134 213 HG12 VAL 24 2HG1 VAL 24 -5.783 7.678 -3.478 214 HG13 VAL 24 3HG1 VAL 24 -4.040 7.477 -3.679 215 HG21 VAL 24 3HG2 VAL 24 -7.264 5.495 -3.236 216 HG22 VAL 24 1HG2 VAL 24 -6.211 5.046 -1.887 217 HG23 VAL 24 2HG2 VAL 24 -6.436 3.936 -3.238 218 H GLU 25 H GLU 25 -3.431 3.946 -5.987 219 HA GLU 25 HA GLU 25 -5.222 1.790 -6.887 220 HB2 GLU 25 2HB GLU 25 -2.281 2.353 -7.410 221 HB3 GLU 25 3HB GLU 25 -3.046 0.830 -7.864 222 HG2 GLU 25 2HG GLU 25 -3.862 3.587 -8.849 223 HG3 GLU 25 3HG GLU 25 -2.939 2.395 -9.762 224 H VAL 26 H VAL 26 -5.612 0.135 -5.611 225 HA VAL 26 HA VAL 26 -3.929 -0.310 -3.206 226 HB VAL 26 HB VAL 26 -6.952 -0.690 -3.485 227 HG11 VAL 26 1HG1 VAL 26 -6.967 -1.037 -1.043 228 HG12 VAL 26 2HG1 VAL 26 -5.208 -0.902 -1.006 229 HG13 VAL 26 3HG1 VAL 26 -5.971 -2.252 -1.849 230 HG21 VAL 26 3HG2 VAL 26 -6.379 1.691 -3.524 231 HG22 VAL 26 1HG2 VAL 26 -5.408 1.506 -2.062 232 HG23 VAL 26 2HG2 VAL 26 -7.157 1.283 -1.994 233 H ARG 27 H ARG 27 -3.343 -2.416 -2.763 234 HA ARG 27 HA ARG 27 -4.084 -4.487 -4.766 235 HB2 ARG 27 2HB ARG 27 -1.310 -3.946 -3.610 236 HB3 ARG 27 3HB ARG 27 -1.719 -5.260 -4.710 237 HG2 ARG 27 2HG ARG 27 -1.810 -2.290 -5.345 238 HG3 ARG 27 3HG ARG 27 -0.611 -3.452 -5.919 239 HD2 ARG 27 2HD ARG 27 -2.285 -4.613 -7.240 240 HD3 ARG 27 3HD ARG 27 -3.581 -3.634 -6.545 241 HE ARG 27 HE ARG 27 -1.435 -2.511 -8.254 242 HH11 ARG 27 1HH1 ARG 27 -4.873 -2.712 -7.430 243 HH12 ARG 27 2HH1 ARG 27 -5.332 -1.543 -8.627 244 HH21 ARG 27 1HH2 ARG 27 -2.068 -1.009 -9.772 245 HH22 ARG 27 2HH2 ARG 27 -3.737 -0.576 -9.955 246 H LEU 28 H LEU 28 -4.642 -6.403 -3.967 247 HA LEU 28 HA LEU 28 -4.589 -6.926 -1.089 248 HB2 LEU 28 2HB LEU 28 -6.684 -7.316 -2.316 249 HB3 LEU 28 3HB LEU 28 -5.874 -8.403 -3.426 250 HG LEU 28 HG LEU 28 -5.552 -10.057 -1.618 251 HD11 LEU 28 1HD1 LEU 28 -6.573 -9.728 0.601 252 HD12 LEU 28 2HD1 LEU 28 -6.949 -8.056 0.173 253 HD13 LEU 28 3HD1 LEU 28 -5.268 -8.589 0.280 254 HD21 LEU 28 3HD2 LEU 28 -8.431 -9.098 -1.808 255 HD22 LEU 28 1HD2 LEU 28 -7.909 -10.694 -1.253 256 HD23 LEU 28 2HD2 LEU 28 -7.618 -10.204 -2.919 257 H VAL 29 H VAL 29 -2.866 -7.955 -0.288 258 HA VAL 29 HA VAL 29 -1.297 -9.820 -1.945 259 HB VAL 29 HB VAL 29 -0.511 -8.300 0.584 260 HG11 VAL 29 1HG1 VAL 29 0.569 -10.515 0.624 261 HG12 VAL 29 2HG1 VAL 29 1.760 -9.254 0.307 262 HG13 VAL 29 3HG1 VAL 29 1.177 -10.267 -1.016 263 HG21 VAL 29 3HG2 VAL 29 1.106 -7.141 -0.883 264 HG22 VAL 29 1HG2 VAL 29 -0.552 -6.898 -1.440 265 HG23 VAL 29 2HG2 VAL 29 0.502 -8.044 -2.275 266 H THR 30 H THR 30 -2.149 -11.766 -1.722 267 HA THR 30 HA THR 30 -2.978 -12.815 0.919 268 HB THR 30 HB THR 30 -4.034 -14.669 -0.427 269 HG1 THR 30 HG1 THR 30 -3.343 -13.059 -2.691 270 HG21 THR 30 3HG2 THR 30 -5.891 -13.360 -1.402 271 HG22 THR 30 1HG2 THR 30 -4.931 -11.889 -1.288 272 HG23 THR 30 2HG2 THR 30 -5.441 -12.725 0.184 273 H THR 31 H THR 31 -0.777 -13.211 -1.764 274 HA THR 31 HA THR 31 0.883 -15.136 -0.245 275 HB THR 31 HB THR 31 1.577 -16.167 -2.401 276 HG1 THR 31 HG1 THR 31 -0.393 -14.456 -3.546 277 HG21 THR 31 3HG2 THR 31 -1.445 -16.188 -2.094 278 HG22 THR 31 1HG2 THR 31 -0.322 -17.226 -1.213 279 HG23 THR 31 2HG2 THR 31 -0.492 -17.391 -2.963 280 H GLU 32 H GLU 32 3.190 -15.032 -0.952 281 HA GLU 32 HA GLU 32 4.284 -12.432 -0.881 282 HB2 GLU 32 2HB GLU 32 5.452 -14.464 -0.055 283 HB3 GLU 32 3HB GLU 32 5.596 -15.052 -1.708 284 HG2 GLU 32 2HG GLU 32 6.973 -12.983 -2.221 285 HG3 GLU 32 3HG GLU 32 6.968 -12.631 -0.493 286 H GLU 33 H GLU 33 3.485 -14.589 -3.544 287 HA GLU 33 HA GLU 33 4.859 -13.408 -5.668 288 HB2 GLU 33 2HB GLU 33 2.164 -14.815 -5.652 289 HB3 GLU 33 3HB GLU 33 3.054 -14.419 -7.119 290 HG2 GLU 33 2HG GLU 33 3.931 -16.326 -4.928 291 HG3 GLU 33 3HG GLU 33 3.362 -16.763 -6.537 292 H ASP 34 H ASP 34 1.657 -12.587 -4.294 293 HA ASP 34 HA ASP 34 0.881 -10.531 -6.039 294 HB2 ASP 34 2HB ASP 34 0.368 -10.811 -3.043 295 HB3 ASP 34 3HB ASP 34 -0.388 -9.572 -4.038 296 H ALA 35 H ALA 35 2.820 -10.396 -3.059 297 HA ALA 35 HA ALA 35 3.215 -7.628 -2.866 298 HB1 ALA 35 3HB ALA 35 5.075 -9.840 -1.919 299 HB2 ALA 35 1HB ALA 35 3.705 -9.184 -1.019 300 HB3 ALA 35 2HB ALA 35 5.098 -8.160 -1.371 301 H LYS 36 H LYS 36 5.166 -10.108 -4.521 302 HA LYS 36 HA LYS 36 7.291 -8.541 -5.464 303 HB2 LYS 36 2HB LYS 36 6.005 -11.036 -6.655 304 HB3 LYS 36 3HB LYS 36 7.564 -10.390 -7.165 305 HG2 LYS 36 2HG LYS 36 8.594 -10.927 -5.085 306 HG3 LYS 36 3HG LYS 36 7.041 -11.181 -4.288 307 HD2 LYS 36 2HD LYS 36 8.132 -13.335 -4.703 308 HD3 LYS 36 3HD LYS 36 6.655 -13.205 -5.655 309 HE2 LYS 36 2HE LYS 36 8.041 -12.610 -7.648 310 HE3 LYS 36 3HE LYS 36 9.491 -12.844 -6.671 311 HZ1 LYS 36 3HZ LYS 36 8.958 -15.143 -6.398 312 HZ2 LYS 36 1HZ LYS 36 8.887 -14.793 -8.049 313 HZ3 LYS 36 2HZ LYS 36 7.461 -14.964 -7.157 314 H GLN 37 H GLN 37 4.142 -9.301 -6.969 315 HA GLN 37 HA GLN 37 4.474 -7.933 -9.420 316 HB2 GLN 37 2HB GLN 37 1.873 -8.378 -7.880 317 HB3 GLN 37 3HB GLN 37 1.995 -7.972 -9.592 318 HG2 GLN 37 2HG GLN 37 3.022 -10.105 -10.086 319 HG3 GLN 37 3HG GLN 37 3.125 -10.504 -8.374 320 HE21 GLN 37 1HE2 GLN 37 1.885 -12.381 -8.499 321 HE22 GLN 37 2HE2 GLN 37 0.198 -12.376 -8.876 322 H VAL 38 H VAL 38 3.292 -6.808 -6.257 323 HA VAL 38 HA VAL 38 2.437 -4.227 -7.032 324 HB VAL 38 HB VAL 38 3.444 -5.066 -4.266 325 HG11 VAL 38 1HG1 VAL 38 2.023 -3.216 -3.435 326 HG12 VAL 38 2HG1 VAL 38 1.617 -2.779 -5.093 327 HG13 VAL 38 3HG1 VAL 38 3.280 -2.626 -4.525 328 HG21 VAL 38 3HG2 VAL 38 1.635 -6.565 -5.007 329 HG22 VAL 38 1HG2 VAL 38 0.610 -5.181 -5.368 330 HG23 VAL 38 2HG2 VAL 38 1.076 -5.524 -3.699 331 H ILE 39 H ILE 39 5.528 -5.381 -5.652 332 HA ILE 39 HA ILE 39 6.964 -3.036 -5.288 333 HB ILE 39 HB ILE 39 7.945 -5.786 -6.177 334 HG12 ILE 39 2HG1 ILE 39 8.014 -4.475 -3.423 335 HG13 ILE 39 3HG1 ILE 39 6.825 -5.660 -3.945 336 HG21 ILE 39 1HG2 ILE 39 10.230 -5.127 -5.455 337 HG22 ILE 39 2HG2 ILE 39 9.667 -3.473 -5.209 338 HG23 ILE 39 3HG2 ILE 39 9.667 -4.170 -6.829 339 HD11 ILE 39 3HD1 ILE 39 9.785 -6.145 -3.642 340 HD12 ILE 39 1HD1 ILE 39 8.594 -7.330 -4.191 341 HD13 ILE 39 2HD1 ILE 39 8.504 -6.680 -2.555 342 H LYS 40 H LYS 40 6.751 -5.056 -8.198 343 HA LYS 40 HA LYS 40 8.409 -3.567 -9.898 344 HB2 LYS 40 2HB LYS 40 6.038 -5.351 -10.601 345 HB3 LYS 40 3HB LYS 40 7.229 -4.761 -11.763 346 HG2 LYS 40 2HG LYS 40 9.004 -5.988 -10.653 347 HG3 LYS 40 3HG LYS 40 7.901 -6.495 -9.367 348 HD2 LYS 40 2HD LYS 40 6.583 -7.795 -11.018 349 HD3 LYS 40 3HD LYS 40 7.686 -7.286 -12.304 350 HE2 LYS 40 2HE LYS 40 9.542 -8.427 -11.173 351 HE3 LYS 40 3HE LYS 40 8.465 -8.904 -9.859 352 HZ1 LYS 40 3HZ LYS 40 7.200 -10.223 -11.426 353 HZ2 LYS 40 1HZ LYS 40 8.824 -10.692 -11.429 354 HZ3 LYS 40 2HZ LYS 40 8.212 -9.751 -12.691 355 H GLU 41 H GLU 41 4.846 -3.468 -9.482 356 HA GLU 41 HA GLU 41 4.214 -1.589 -11.454 357 HB2 GLU 41 2HB GLU 41 2.518 -2.995 -10.340 358 HB3 GLU 41 3HB GLU 41 2.773 -2.134 -8.823 359 HG2 GLU 41 2HG GLU 41 1.978 -0.037 -9.921 360 HG3 GLU 41 3HG GLU 41 1.648 -0.952 -11.386 361 H ILE 42 H ILE 42 4.930 -1.070 -8.010 362 HA ILE 42 HA ILE 42 4.583 1.676 -7.755 363 HB ILE 42 HB ILE 42 6.672 -0.080 -6.365 364 HG12 ILE 42 2HG1 ILE 42 3.908 0.750 -5.341 365 HG13 ILE 42 3HG1 ILE 42 4.261 -0.812 -6.065 366 HG21 ILE 42 1HG2 ILE 42 6.668 1.656 -4.570 367 HG22 ILE 42 2HG2 ILE 42 5.635 2.670 -5.582 368 HG23 ILE 42 3HG2 ILE 42 7.272 2.276 -6.109 369 HD11 ILE 42 3HD1 ILE 42 4.195 -0.945 -3.642 370 HD12 ILE 42 1HD1 ILE 42 5.486 0.251 -3.516 371 HD13 ILE 42 2HD1 ILE 42 5.806 -1.326 -4.246 372 H GLN 43 H GLN 43 7.385 -0.154 -8.908 373 HA GLN 43 HA GLN 43 9.109 2.116 -9.261 374 HB2 GLN 43 2HB GLN 43 9.327 -0.753 -10.248 375 HB3 GLN 43 3HB GLN 43 10.606 0.452 -10.410 376 HG2 GLN 43 2HG GLN 43 10.805 0.627 -7.981 377 HG3 GLN 43 3HG GLN 43 9.447 -0.479 -7.764 378 HE21 GLN 43 1HE2 GLN 43 10.795 -1.873 -6.521 379 HE22 GLN 43 2HE2 GLN 43 11.958 -2.899 -7.281 380 H LYS 44 H LYS 44 6.912 0.287 -11.383 381 HA LYS 44 HA LYS 44 7.939 1.237 -13.869 382 HB2 LYS 44 2HB LYS 44 5.137 0.171 -13.310 383 HB3 LYS 44 3HB LYS 44 5.869 0.352 -14.903 384 HG2 LYS 44 2HG LYS 44 6.648 -1.580 -12.718 385 HG3 LYS 44 3HG LYS 44 5.947 -1.964 -14.284 386 HD2 LYS 44 2HD LYS 44 8.038 -1.247 -15.400 387 HD3 LYS 44 3HD LYS 44 8.727 -0.794 -13.838 388 HE2 LYS 44 2HE LYS 44 8.590 -3.155 -13.099 389 HE3 LYS 44 3HE LYS 44 7.919 -3.602 -14.671 390 HZ1 LYS 44 3HZ LYS 44 9.975 -2.787 -15.697 391 HZ2 LYS 44 1HZ LYS 44 10.268 -4.051 -14.613 392 HZ3 LYS 44 2HZ LYS 44 10.610 -2.458 -14.169 393 H LYS 45 H LYS 45 5.131 2.255 -11.922 394 HA LYS 45 HA LYS 45 4.493 4.491 -13.657 395 HB2 LYS 45 2HB LYS 45 3.345 3.603 -10.972 396 HB3 LYS 45 3HB LYS 45 2.812 5.062 -11.799 397 HG2 LYS 45 2HG LYS 45 1.211 3.419 -12.359 398 HG3 LYS 45 3HG LYS 45 2.229 3.597 -13.789 399 HD2 LYS 45 2HD LYS 45 3.549 1.538 -12.648 400 HD3 LYS 45 3HD LYS 45 1.982 1.272 -11.884 401 HE2 LYS 45 2HE LYS 45 0.951 1.213 -14.155 402 HE3 LYS 45 3HE LYS 45 2.568 1.385 -14.844 403 HZ1 LYS 45 3HZ LYS 45 3.182 -0.714 -13.760 404 HZ2 LYS 45 1HZ LYS 45 1.908 -0.911 -14.849 405 HZ3 LYS 45 2HZ LYS 45 1.600 -0.888 -13.192 406 H GLY 46 H GLY 46 6.519 3.888 -10.963 407 HA2 GLY 46 2HA GLY 46 8.075 5.231 -9.895 408 HA3 GLY 46 3HA GLY 46 7.636 6.554 -10.971 409 H VAL 47 H VAL 47 5.843 4.656 -8.590 410 HA VAL 47 HA VAL 47 4.261 6.803 -7.599 411 HB VAL 47 HB VAL 47 4.786 4.031 -6.413 412 HG11 VAL 47 1HG1 VAL 47 2.657 4.312 -5.201 413 HG12 VAL 47 2HG1 VAL 47 2.517 5.959 -5.822 414 HG13 VAL 47 3HG1 VAL 47 3.837 5.539 -4.729 415 HG21 VAL 47 3HG2 VAL 47 3.881 3.888 -8.702 416 HG22 VAL 47 1HG2 VAL 47 2.525 4.927 -8.247 417 HG23 VAL 47 2HG2 VAL 47 2.702 3.328 -7.517 418 H GLN 48 H GLN 48 4.652 8.153 -5.889 419 HA GLN 48 HA GLN 48 7.385 8.387 -4.964 420 HB2 GLN 48 2HB GLN 48 4.905 10.112 -4.487 421 HB3 GLN 48 3HB GLN 48 6.483 10.483 -3.800 422 HG2 GLN 48 2HG GLN 48 6.155 11.857 -5.751 423 HG3 GLN 48 3HG GLN 48 7.412 10.675 -6.108 424 HE21 GLN 48 1HE2 GLN 48 7.132 10.830 -8.335 425 HE22 GLN 48 2HE2 GLN 48 5.744 10.209 -9.153 426 H LYS 49 H LYS 49 4.210 8.079 -3.404 427 HA LYS 49 HA LYS 49 5.479 7.125 -0.899 428 HB2 LYS 49 2HB LYS 49 3.024 8.910 -1.290 429 HB3 LYS 49 3HB LYS 49 3.519 8.234 0.262 430 HG2 LYS 49 2HG LYS 49 5.628 9.483 0.183 431 HG3 LYS 49 3HG LYS 49 5.241 10.103 -1.419 432 HD2 LYS 49 2HD LYS 49 3.466 10.673 0.979 433 HD3 LYS 49 3HD LYS 49 4.883 11.661 0.629 434 HE2 LYS 49 2HE LYS 49 2.673 11.199 -1.397 435 HE3 LYS 49 3HE LYS 49 2.666 12.538 -0.252 436 HZ1 LYS 49 3HZ LYS 49 4.799 12.034 -2.258 437 HZ2 LYS 49 1HZ LYS 49 4.721 13.339 -1.192 438 HZ3 LYS 49 2HZ LYS 49 3.564 13.176 -2.411 439 H VAL 50 H VAL 50 4.666 5.264 -0.042 440 HA VAL 50 HA VAL 50 2.240 4.011 -1.177 441 HB VAL 50 HB VAL 50 4.944 2.651 -0.696 442 HG11 VAL 50 1HG1 VAL 50 3.177 1.132 0.095 443 HG12 VAL 50 2HG1 VAL 50 3.886 0.522 -1.401 444 HG13 VAL 50 3HG1 VAL 50 2.310 1.317 -1.431 445 HG21 VAL 50 3HG2 VAL 50 4.785 3.838 -2.844 446 HG22 VAL 50 1HG2 VAL 50 3.302 2.962 -3.236 447 HG23 VAL 50 2HG2 VAL 50 4.834 2.093 -3.101 448 H VAL 51 H VAL 51 0.845 3.458 0.370 449 HA VAL 51 HA VAL 51 1.565 3.378 3.202 450 HB VAL 51 HB VAL 51 -1.137 2.995 1.816 451 HG11 VAL 51 1HG1 VAL 51 -0.538 3.341 4.771 452 HG12 VAL 51 2HG1 VAL 51 -1.092 1.857 3.992 453 HG13 VAL 51 3HG1 VAL 51 -2.147 3.270 4.046 454 HG21 VAL 51 3HG2 VAL 51 -0.111 5.414 3.333 455 HG22 VAL 51 1HG2 VAL 51 -1.707 5.238 2.602 456 HG23 VAL 51 2HG2 VAL 51 -0.272 5.294 1.584 457 H LEU 52 H LEU 52 1.897 1.474 4.284 458 HA LEU 52 HA LEU 52 1.078 -1.106 3.077 459 HB2 LEU 52 2HB LEU 52 3.362 -0.476 5.002 460 HB3 LEU 52 3HB LEU 52 2.934 -2.090 4.458 461 HG LEU 52 HG LEU 52 4.008 0.156 2.692 462 HD11 LEU 52 1HD1 LEU 52 5.357 -2.421 3.535 463 HD12 LEU 52 2HD1 LEU 52 5.723 -0.818 4.170 464 HD13 LEU 52 3HD1 LEU 52 6.028 -1.178 2.473 465 HD21 LEU 52 3HD2 LEU 52 4.132 -1.504 0.907 466 HD22 LEU 52 1HD2 LEU 52 2.473 -1.235 1.434 467 HD23 LEU 52 2HD2 LEU 52 3.332 -2.693 1.941 468 H VAL 53 H VAL 53 -0.866 -1.534 3.997 469 HA VAL 53 HA VAL 53 -1.344 -1.117 6.887 470 HB VAL 53 HB VAL 53 -3.471 -1.778 4.792 471 HG11 VAL 53 1HG1 VAL 53 -3.736 -0.582 7.577 472 HG12 VAL 53 2HG1 VAL 53 -4.130 -2.239 7.116 473 HG13 VAL 53 3HG1 VAL 53 -5.067 -0.896 6.459 474 HG21 VAL 53 3HG2 VAL 53 -2.430 0.337 4.122 475 HG22 VAL 53 1HG2 VAL 53 -2.708 1.003 5.732 476 HG23 VAL 53 2HG2 VAL 53 -4.079 0.599 4.696 477 H GLY 54 H GLY 54 -1.415 -2.837 8.173 478 HA2 GLY 54 2HA GLY 54 -1.771 -4.910 9.044 479 HA3 GLY 54 3HA GLY 54 -2.851 -5.199 7.695 480 H VAL 55 H VAL 55 0.467 -4.495 6.960 481 HA VAL 55 HA VAL 55 0.742 -7.125 5.711 482 HB VAL 55 HB VAL 55 2.773 -6.211 4.642 483 HG11 VAL 55 1HG1 VAL 55 0.443 -4.259 4.454 484 HG12 VAL 55 2HG1 VAL 55 0.620 -5.761 3.541 485 HG13 VAL 55 3HG1 VAL 55 1.745 -4.429 3.268 486 HG21 VAL 55 3HG2 VAL 55 3.487 -3.862 4.992 487 HG22 VAL 55 1HG2 VAL 55 3.627 -4.815 6.473 488 HG23 VAL 55 2HG2 VAL 55 2.282 -3.690 6.272 489 H SER 56 H SER 56 2.830 -8.349 5.977 490 HA SER 56 HA SER 56 3.557 -8.719 8.716 491 HB2 SER 56 2HB SER 56 4.901 -9.789 6.190 492 HB3 SER 56 3HB SER 56 5.131 -10.409 7.831 493 HG SER 56 HG SER 56 2.540 -10.412 7.432 494 H GLU 57 H GLU 57 5.644 -8.350 9.673 495 HA GLU 57 HA GLU 57 6.729 -5.788 9.327 496 HB2 GLU 57 2HB GLU 57 8.052 -8.202 10.639 497 HB3 GLU 57 3HB GLU 57 8.483 -6.514 10.916 498 HG2 GLU 57 2HG GLU 57 6.331 -6.092 11.985 499 HG3 GLU 57 3HG GLU 57 5.778 -7.723 11.591 500 H LYS 58 H LYS 58 7.973 -8.954 8.305 501 HA LYS 58 HA LYS 58 10.410 -8.092 7.154 502 HB2 LYS 58 2HB LYS 58 8.772 -10.588 6.546 503 HB3 LYS 58 3HB LYS 58 10.445 -10.338 6.054 504 HG2 LYS 58 2HG LYS 58 11.155 -10.300 8.404 505 HG3 LYS 58 3HG LYS 58 9.477 -10.469 8.932 506 HD2 LYS 58 2HD LYS 58 9.374 -12.683 7.762 507 HD3 LYS 58 3HD LYS 58 11.083 -12.517 7.345 508 HE2 LYS 58 2HE LYS 58 10.873 -13.953 9.291 509 HE3 LYS 58 3HE LYS 58 11.613 -12.432 9.794 510 HZ1 LYS 58 3HZ LYS 58 9.371 -11.707 10.523 511 HZ2 LYS 58 1HZ LYS 58 9.951 -13.046 11.376 512 HZ3 LYS 58 2HZ LYS 58 8.782 -13.252 10.175 513 H LEU 59 H LEU 59 7.205 -8.751 5.686 514 HA LEU 59 HA LEU 59 7.830 -8.153 3.004 515 HB2 LEU 59 2HB LEU 59 5.198 -7.956 4.518 516 HB3 LEU 59 3HB LEU 59 5.316 -7.670 2.789 517 HG LEU 59 HG LEU 59 5.949 -10.310 4.177 518 HD11 LEU 59 1HD1 LEU 59 3.561 -9.552 2.460 519 HD12 LEU 59 2HD1 LEU 59 3.547 -9.766 4.213 520 HD13 LEU 59 3HD1 LEU 59 3.886 -11.142 3.165 521 HD21 LEU 59 3HD2 LEU 59 6.118 -11.262 1.919 522 HD22 LEU 59 1HD2 LEU 59 7.315 -9.989 2.146 523 HD23 LEU 59 2HD2 LEU 59 5.857 -9.670 1.202 524 H LEU 60 H LEU 60 6.862 -6.087 5.702 525 HA LEU 60 HA LEU 60 6.354 -3.700 4.301 526 HB2 LEU 60 2HB LEU 60 5.597 -4.111 6.596 527 HB3 LEU 60 3HB LEU 60 7.248 -4.153 7.171 528 HG LEU 60 HG LEU 60 6.244 -1.599 5.887 529 HD11 LEU 60 1HD1 LEU 60 5.629 -2.358 8.756 530 HD12 LEU 60 2HD1 LEU 60 4.453 -2.184 7.449 531 HD13 LEU 60 3HD1 LEU 60 5.356 -0.778 8.009 532 HD21 LEU 60 3HD2 LEU 60 7.783 -0.518 7.474 533 HD22 LEU 60 1HD2 LEU 60 8.628 -1.739 6.527 534 HD23 LEU 60 2HD2 LEU 60 8.169 -2.082 8.196 535 H GLN 61 H GLN 61 9.231 -4.785 6.063 536 HA GLN 61 HA GLN 61 10.938 -2.620 5.451 537 HB2 GLN 61 2HB GLN 61 11.668 -5.489 6.177 538 HB3 GLN 61 3HB GLN 61 12.750 -4.100 6.288 539 HG2 GLN 61 2HG GLN 61 11.528 -3.163 8.113 540 HG3 GLN 61 3HG GLN 61 10.152 -4.233 7.838 541 HE21 GLN 61 1HE2 GLN 61 10.133 -5.082 9.905 542 HE22 GLN 61 2HE2 GLN 61 11.373 -6.114 10.516 543 H LYS 62 H LYS 62 10.241 -5.672 3.819 544 HA LYS 62 HA LYS 62 12.330 -5.664 1.927 545 HB2 LYS 62 2HB LYS 62 11.041 -7.712 2.326 546 HB3 LYS 62 3HB LYS 62 9.563 -6.939 1.755 547 HG2 LYS 62 2HG LYS 62 10.529 -6.746 -0.512 548 HG3 LYS 62 3HG LYS 62 12.020 -7.504 0.055 549 HD2 LYS 62 2HD LYS 62 10.869 -9.607 0.455 550 HD3 LYS 62 3HD LYS 62 9.298 -8.864 0.128 551 HE2 LYS 62 2HE LYS 62 10.092 -10.206 -1.788 552 HE3 LYS 62 3HE LYS 62 9.928 -8.503 -2.209 553 HZ1 LYS 62 3HZ LYS 62 11.970 -9.483 -3.082 554 HZ2 LYS 62 1HZ LYS 62 12.485 -9.850 -1.518 555 HZ3 LYS 62 2HZ LYS 62 12.315 -8.238 -1.997 556 H ILE 63 H ILE 63 8.858 -4.767 1.415 557 HA ILE 63 HA ILE 63 9.075 -3.711 -1.152 558 HB ILE 63 HB ILE 63 7.057 -3.328 1.075 559 HG12 ILE 63 2HG1 ILE 63 5.453 -4.314 -0.564 560 HG13 ILE 63 3HG1 ILE 63 6.709 -4.334 -1.791 561 HG21 ILE 63 1HG2 ILE 63 5.600 -1.873 -0.305 562 HG22 ILE 63 2HG2 ILE 63 6.897 -1.709 -1.491 563 HG23 ILE 63 3HG2 ILE 63 7.109 -1.070 0.140 564 HD11 ILE 63 3HD1 ILE 63 7.953 -5.981 -0.431 565 HD12 ILE 63 1HD1 ILE 63 6.350 -6.541 -0.906 566 HD13 ILE 63 2HD1 ILE 63 6.630 -5.970 0.736 567 H LYS 64 H LYS 64 9.647 -2.133 1.954 568 HA LYS 64 HA LYS 64 10.024 0.531 1.172 569 HB2 LYS 64 2HB LYS 64 9.799 -0.326 3.520 570 HB3 LYS 64 3HB LYS 64 11.410 -1.007 3.418 571 HG2 LYS 64 2HG LYS 64 10.992 1.961 3.035 572 HG3 LYS 64 3HG LYS 64 11.005 1.274 4.658 573 HD2 LYS 64 2HD LYS 64 13.298 0.409 4.279 574 HD3 LYS 64 3HD LYS 64 13.281 1.060 2.639 575 HE2 LYS 64 2HE LYS 64 13.022 3.349 3.598 576 HE3 LYS 64 3HE LYS 64 13.148 2.659 5.215 577 HZ1 LYS 64 3HZ LYS 64 15.249 3.575 4.430 578 HZ2 LYS 64 1HZ LYS 64 15.250 2.501 3.123 579 HZ3 LYS 64 2HZ LYS 64 15.366 1.913 4.700 580 H GLN 65 H GLN 65 12.384 -2.139 1.430 581 HA GLN 65 HA GLN 65 14.649 -0.561 0.591 582 HB2 GLN 65 2HB GLN 65 14.327 -3.563 0.989 583 HB3 GLN 65 3HB GLN 65 15.867 -2.773 0.652 584 HG2 GLN 65 2HG GLN 65 15.757 -1.560 2.763 585 HG3 GLN 65 3HG GLN 65 14.150 -2.205 3.094 586 HE21 GLN 65 1HE2 GLN 65 13.959 -4.437 3.663 587 HE22 GLN 65 2HE2 GLN 65 15.308 -5.332 4.260 588 H GLU 66 H GLU 66 12.381 -2.691 -1.071 589 HA GLU 66 HA GLU 66 14.048 -3.149 -3.394 590 HB2 GLU 66 2HB GLU 66 11.061 -3.681 -3.070 591 HB3 GLU 66 3HB GLU 66 12.102 -4.339 -4.328 592 HG2 GLU 66 2HG GLU 66 12.333 -4.956 -1.375 593 HG3 GLU 66 3HG GLU 66 11.489 -5.960 -2.541 594 H ALA 67 H ALA 67 11.125 -1.227 -2.668 595 HA ALA 67 HA ALA 67 11.100 -0.024 -5.332 596 HB1 ALA 67 3HB ALA 67 8.990 -0.811 -4.345 597 HB2 ALA 67 1HB ALA 67 8.945 0.925 -4.655 598 HB3 ALA 67 2HB ALA 67 9.175 0.328 -3.008 599 H ASN 68 H ASN 68 12.040 0.827 -2.061 600 HA ASN 68 HA ASN 68 13.099 2.602 -1.126 601 HB2 ASN 68 2HB ASN 68 13.861 3.225 -4.016 602 HB3 ASN 68 3HB ASN 68 14.558 4.033 -2.614 603 HD21 ASN 68 1HD2 ASN 68 14.356 1.016 -4.370 604 HD22 ASN 68 2HD2 ASN 68 15.718 0.267 -3.622 605 H VAL 69 H VAL 69 10.533 2.945 -1.097 606 HA VAL 69 HA VAL 69 9.910 5.733 -1.934 607 HB VAL 69 HB VAL 69 7.512 5.006 -2.166 608 HG11 VAL 69 1HG1 VAL 69 7.763 3.892 -4.350 609 HG12 VAL 69 2HG1 VAL 69 9.447 3.514 -3.979 610 HG13 VAL 69 3HG1 VAL 69 8.939 5.195 -4.160 611 HG21 VAL 69 3HG2 VAL 69 6.985 2.573 -2.320 612 HG22 VAL 69 1HG2 VAL 69 7.549 3.026 -0.708 613 HG23 VAL 69 2HG2 VAL 69 8.636 2.192 -1.822 614 H GLN 70 H GLN 70 8.256 6.804 -0.574 615 HA GLN 70 HA GLN 70 8.924 6.586 2.201 616 HB2 GLN 70 2HB GLN 70 6.753 8.245 0.835 617 HB3 GLN 70 3HB GLN 70 7.203 8.395 2.529 618 HG2 GLN 70 2HG GLN 70 8.261 10.202 1.454 619 HG3 GLN 70 3HG GLN 70 9.543 9.035 1.728 620 HE21 GLN 70 1HE2 GLN 70 10.479 7.993 -0.089 621 HE22 GLN 70 2HE2 GLN 70 10.229 8.568 -1.698 622 H VAL 71 H VAL 71 8.098 5.082 3.508 623 HA VAL 71 HA VAL 71 5.627 3.661 2.800 624 HB VAL 71 HB VAL 71 7.943 2.978 4.659 625 HG11 VAL 71 1HG1 VAL 71 6.813 0.814 5.163 626 HG12 VAL 71 2HG1 VAL 71 5.360 1.402 4.350 627 HG13 VAL 71 3HG1 VAL 71 5.931 2.196 5.819 628 HG21 VAL 71 3HG2 VAL 71 6.863 1.628 2.153 629 HG22 VAL 71 1HG2 VAL 71 8.231 1.056 3.115 630 HG23 VAL 71 2HG2 VAL 71 8.336 2.596 2.261 631 H TYR 72 H TYR 72 3.793 4.059 3.804 632 HA TYR 72 HA TYR 72 3.738 5.356 6.463 633 HB2 TYR 72 2HB TYR 72 1.673 5.225 4.217 634 HB3 TYR 72 3HB TYR 72 1.327 5.887 5.812 635 HD1 TYR 72 HD2 TYR 72 3.419 6.382 2.751 636 HD2 TYR 72 HD1 TYR 72 2.001 8.119 6.394 637 HE1 TYR 72 HE2 TYR 72 4.330 8.560 2.075 638 HE2 TYR 72 HE1 TYR 72 2.914 10.289 5.716 639 HH TYR 72 HH TYR 72 4.604 11.193 4.247 640 H ARG 73 H ARG 73 3.787 3.702 7.906 641 HA ARG 73 HA ARG 73 2.256 1.255 7.540 642 HB2 ARG 73 2HB ARG 73 4.462 1.197 8.678 643 HB3 ARG 73 3HB ARG 73 3.861 2.283 9.924 644 HG2 ARG 73 2HG ARG 73 2.242 0.545 10.651 645 HG3 ARG 73 3HG ARG 73 2.861 -0.542 9.404 646 HD2 ARG 73 2HD ARG 73 5.120 -0.412 10.495 647 HD3 ARG 73 3HD ARG 73 4.399 0.556 11.783 648 HE ARG 73 HE ARG 73 2.864 -1.534 12.013 649 HH11 ARG 73 1HH1 ARG 73 6.308 -1.603 11.319 650 HH12 ARG 73 2HH1 ARG 73 6.556 -3.142 12.077 651 HH21 ARG 73 1HH2 ARG 73 3.208 -3.569 13.011 652 HH22 ARG 73 2HH2 ARG 73 4.806 -4.250 13.031 653 H VAL 74 H VAL 74 0.121 1.535 7.673 654 HA VAL 74 HA VAL 74 -1.088 3.392 9.607 655 HB VAL 74 HB VAL 74 -2.098 2.000 7.103 656 HG11 VAL 74 1HG1 VAL 74 -3.907 1.727 8.747 657 HG12 VAL 74 2HG1 VAL 74 -4.356 2.891 7.504 658 HG13 VAL 74 3HG1 VAL 74 -3.860 3.456 9.099 659 HG21 VAL 74 3HG2 VAL 74 -2.618 4.304 6.380 660 HG22 VAL 74 1HG2 VAL 74 -0.913 4.146 6.818 661 HG23 VAL 74 2HG2 VAL 74 -2.044 4.928 7.929 662 H THR 75 H THR 75 -2.013 2.703 11.396 663 HA THR 75 HA THR 75 -2.114 -0.132 12.067 664 HB THR 75 HB THR 75 -2.660 0.789 14.379 665 HG1 THR 75 HG1 THR 75 -3.106 2.849 14.562 666 HG21 THR 75 3HG2 THR 75 -0.152 1.941 13.088 667 HG22 THR 75 1HG2 THR 75 -0.308 0.305 13.735 668 HG23 THR 75 2HG2 THR 75 -0.414 1.695 14.816 669 H SER 76 H SER 76 -4.384 2.485 11.452 670 HA SER 76 HA SER 76 -6.694 0.668 11.588 671 HB2 SER 76 2HB SER 76 -6.583 3.256 13.226 672 HB3 SER 76 3HB SER 76 -7.990 2.203 13.056 673 HG SER 76 HG SER 76 -6.517 1.989 14.987 674 H ASN 77 H ASN 77 -8.644 1.618 10.588 675 HA ASN 77 HA ASN 77 -8.110 2.845 8.117 676 HB2 ASN 77 2HB ASN 77 -10.049 1.387 8.428 677 HB3 ASN 77 3HB ASN 77 -10.767 2.509 9.574 678 HD21 ASN 77 1HD2 ASN 77 -11.761 4.407 8.778 679 HD22 ASN 77 2HD2 ASN 77 -12.138 4.624 7.110 680 H ASP 78 H ASP 78 -8.960 4.269 11.207 681 HA ASP 78 HA ASP 78 -9.674 6.884 10.485 682 HB2 ASP 78 2HB ASP 78 -7.956 6.069 12.880 683 HB3 ASP 78 3HB ASP 78 -8.912 7.546 12.737 684 H GLU 79 H GLU 79 -6.499 5.445 11.118 685 HA GLU 79 HA GLU 79 -4.911 7.739 10.573 686 HB2 GLU 79 2HB GLU 79 -4.014 4.826 10.476 687 HB3 GLU 79 3HB GLU 79 -2.995 6.243 10.740 688 HG2 GLU 79 2HG GLU 79 -5.071 5.090 12.625 689 HG3 GLU 79 3HG GLU 79 -3.324 5.093 12.844 690 H LEU 80 H LEU 80 -6.047 5.010 8.650 691 HA LEU 80 HA LEU 80 -4.530 5.318 6.313 692 HB2 LEU 80 2HB LEU 80 -5.954 3.343 6.827 693 HB3 LEU 80 3HB LEU 80 -7.393 4.306 6.614 694 HG LEU 80 HG LEU 80 -6.778 2.680 4.724 695 HD11 LEU 80 1HD1 LEU 80 -7.200 5.547 3.865 696 HD12 LEU 80 2HD1 LEU 80 -8.456 4.407 4.351 697 HD13 LEU 80 3HD1 LEU 80 -7.508 4.099 2.901 698 HD21 LEU 80 3HD2 LEU 80 -4.664 4.752 4.064 699 HD22 LEU 80 1HD2 LEU 80 -5.112 3.359 3.072 700 HD23 LEU 80 2HD2 LEU 80 -4.362 3.113 4.647 701 H GLU 81 H GLU 81 -7.769 6.565 7.120 702 HA GLU 81 HA GLU 81 -8.292 8.040 4.817 703 HB2 GLU 81 2HB GLU 81 -9.216 8.525 7.681 704 HB3 GLU 81 3HB GLU 81 -9.874 9.374 6.280 705 HG2 GLU 81 2HG GLU 81 -10.661 7.231 5.343 706 HG3 GLU 81 3HG GLU 81 -10.001 6.379 6.741 707 H GLN 82 H GLN 82 -6.744 9.034 7.870 708 HA GLN 82 HA GLN 82 -6.398 11.768 7.245 709 HB2 GLN 82 2HB GLN 82 -4.918 9.977 9.215 710 HB3 GLN 82 3HB GLN 82 -4.653 11.717 9.105 711 HG2 GLN 82 2HG GLN 82 -7.294 10.381 9.781 712 HG3 GLN 82 3HG GLN 82 -6.193 11.120 10.943 713 HE21 GLN 82 1HE2 GLN 82 -9.020 11.764 10.261 714 HE22 GLN 82 2HE2 GLN 82 -9.021 13.449 9.871 715 H VAL 83 H VAL 83 -4.296 8.957 6.671 716 HA VAL 83 HA VAL 83 -2.020 10.388 5.736 717 HB VAL 83 HB VAL 83 -2.879 7.488 5.324 718 HG11 VAL 83 1HG1 VAL 83 -0.280 8.760 4.376 719 HG12 VAL 83 2HG1 VAL 83 -1.546 8.085 3.349 720 HG13 VAL 83 3HG1 VAL 83 -0.611 7.026 4.405 721 HG21 VAL 83 3HG2 VAL 83 -0.625 8.696 6.973 722 HG22 VAL 83 1HG2 VAL 83 -1.022 6.978 6.869 723 HG23 VAL 83 2HG2 VAL 83 -2.159 8.105 7.611 724 H VAL 84 H VAL 84 -4.819 8.947 4.019 725 HA VAL 84 HA VAL 84 -3.779 9.595 1.409 726 HB VAL 84 HB VAL 84 -6.653 8.822 2.063 727 HG11 VAL 84 1HG1 VAL 84 -6.385 9.752 -0.192 728 HG12 VAL 84 2HG1 VAL 84 -6.695 8.019 -0.296 729 HG13 VAL 84 3HG1 VAL 84 -5.057 8.636 -0.525 730 HG21 VAL 84 3HG2 VAL 84 -5.117 7.110 2.964 731 HG22 VAL 84 1HG2 VAL 84 -4.335 6.969 1.391 732 HG23 VAL 84 2HG2 VAL 84 -6.020 6.482 1.584 733 H LYS 85 H LYS 85 -5.831 11.226 3.733 734 HA LYS 85 HA LYS 85 -6.762 13.370 2.070 735 HB2 LYS 85 2HB LYS 85 -6.381 13.148 5.091 736 HB3 LYS 85 3HB LYS 85 -7.076 14.574 4.321 737 HG2 LYS 85 2HG LYS 85 -9.001 13.338 3.571 738 HG3 LYS 85 3HG LYS 85 -8.264 11.799 4.011 739 HD2 LYS 85 2HD LYS 85 -9.956 12.377 5.658 740 HD3 LYS 85 3HD LYS 85 -8.362 12.455 6.412 741 HE2 LYS 85 2HE LYS 85 -9.711 14.333 7.156 742 HE3 LYS 85 3HE LYS 85 -8.407 14.940 6.137 743 HZ1 LYS 85 3HZ LYS 85 -11.229 14.520 5.303 744 HZ2 LYS 85 1HZ LYS 85 -9.991 15.064 4.291 745 HZ3 LYS 85 2HZ LYS 85 -10.495 16.010 5.596 746 H ASP 86 H ASP 86 -3.831 12.685 3.831 747 HA ASP 86 HA ASP 86 -2.735 15.388 3.657 748 HB2 ASP 86 2HB ASP 86 -2.515 14.035 5.733 749 HB3 ASP 86 3HB ASP 86 -1.614 12.812 4.850 750 H VAL 87 H VAL 87 -2.428 12.337 1.952 751 HA VAL 87 HA VAL 87 0.320 12.395 1.339 752 HB VAL 87 HB VAL 87 -1.107 10.344 1.322 753 HG11 VAL 87 1HG1 VAL 87 -3.061 11.205 0.111 754 HG12 VAL 87 2HG1 VAL 87 -2.449 9.722 -0.619 755 HG13 VAL 87 3HG1 VAL 87 -2.116 11.280 -1.376 756 HG21 VAL 87 3HG2 VAL 87 1.112 10.238 0.315 757 HG22 VAL 87 1HG2 VAL 87 0.460 10.765 -1.239 758 HG23 VAL 87 2HG2 VAL 87 -0.010 9.201 -0.567 759 H LYS 88 H LYS 88 -2.462 13.553 -0.554 760 HA LYS 88 HA LYS 88 -0.652 15.172 -2.206 761 HB2 LYS 88 2HB LYS 88 -2.069 14.561 -4.267 762 HB3 LYS 88 3HB LYS 88 -0.929 13.364 -3.686 763 HG2 LYS 88 2HG LYS 88 -2.856 12.147 -4.274 764 HG3 LYS 88 3HG LYS 88 -2.873 12.224 -2.516 765 HD2 LYS 88 2HD LYS 88 -5.122 12.561 -3.416 766 HD3 LYS 88 3HD LYS 88 -4.566 14.027 -2.607 767 HE2 LYS 88 2HE LYS 88 -4.067 15.064 -4.767 768 HE3 LYS 88 3HE LYS 88 -4.480 13.571 -5.612 769 HZ1 LYS 88 3HZ LYS 88 -6.755 13.799 -4.788 770 HZ2 LYS 88 1HZ LYS 88 -6.293 15.132 -5.721 771 HZ3 LYS 88 2HZ LYS 88 -6.349 15.257 -4.041 772 H GLY 89 H GLY 89 -3.016 15.254 -0.067 773 HA2 GLY 89 2HA GLY 89 -4.337 17.666 -1.176 774 HA3 GLY 89 3HA GLY 89 -4.836 16.771 0.256 775 H SER 90 H SER 90 -1.782 16.689 0.842 776 HA SER 90 HA SER 90 -1.323 19.438 1.789 777 HB2 SER 90 2HB SER 90 -1.127 16.937 3.535 778 HB3 SER 90 3HB SER 90 -0.676 18.571 4.024 779 HG SER 90 HG SER 90 -3.045 18.943 3.261 780 H GLY 91 H GLY 91 0.978 19.699 2.501 781 HA2 GLY 91 2HA GLY 91 3.164 18.160 2.062 782 HA3 GLY 91 3HA GLY 91 2.724 18.659 0.429 783 H LEU 92 H LEU 92 1.764 21.241 0.949 784 HA LEU 92 HA LEU 92 4.144 22.779 1.422 785 HB2 LEU 92 2HB LEU 92 1.246 23.692 1.221 786 HB3 LEU 92 3HB LEU 92 2.642 24.759 1.220 787 HG LEU 92 HG LEU 92 1.857 22.773 -0.952 788 HD11 LEU 92 1HD1 LEU 92 2.043 25.801 -1.015 789 HD12 LEU 92 2HD1 LEU 92 0.559 24.845 -0.979 790 HD13 LEU 92 3HD1 LEU 92 1.628 24.752 -2.375 791 HD21 LEU 92 3HD2 LEU 92 4.297 22.740 -0.739 792 HD22 LEU 92 1HD2 LEU 92 4.355 24.503 -0.834 793 HD23 LEU 92 2HD2 LEU 92 3.822 23.555 -2.226 794 H GLU 93 H GLU 93 4.954 23.191 3.385 795 HA GLU 93 HA GLU 93 5.277 23.326 5.611 796 HB2 GLU 93 2HB GLU 93 3.554 25.177 5.457 797 HB3 GLU 93 3HB GLU 93 2.310 23.993 5.825 798 HG2 GLU 93 2HG GLU 93 3.628 23.556 8.003 799 HG3 GLU 93 3HG GLU 93 4.491 25.047 7.635 800 H HIS 94 H HIS 94 5.744 21.038 5.588 801 HA HIS 94 HA HIS 94 3.609 19.275 6.675 802 HB2 HIS 94 2HB HIS 94 4.794 17.347 5.652 803 HB3 HIS 94 3HB HIS 94 4.256 18.509 4.454 804 HD1 HIS 94 HD1 HIS 94 7.337 16.937 5.880 805 HD2 HIS 94 HD2 HIS 94 6.358 19.765 3.006 806 HE1 HIS 94 HE1 HIS 94 9.391 17.196 4.460 807 HE2 HIS 94 HE2 HIS 94 8.810 19.031 2.832 808 H HIS 95 H HIS 95 3.825 18.952 8.756 809 HA HIS 95 HA HIS 95 4.559 18.689 10.859 810 HB2 HIS 95 2HB HIS 95 6.859 17.295 9.431 811 HB3 HIS 95 3HB HIS 95 6.731 17.336 11.186 812 HD1 HIS 95 HD1 HIS 95 5.212 15.780 8.156 813 HD2 HIS 95 HD2 HIS 95 4.718 15.689 12.270 814 HE1 HIS 95 HE1 HIS 95 3.713 13.830 8.608 815 HE2 HIS 95 HE2 HIS 95 3.247 13.951 11.072 816 H HIS 96 H HIS 96 4.660 21.104 10.699 817 HA HIS 96 HA HIS 96 7.398 22.156 11.177 818 HB2 HIS 96 2HB HIS 96 4.920 23.505 10.021 819 HB3 HIS 96 3HB HIS 96 6.272 24.440 10.653 820 HD1 HIS 96 HD1 HIS 96 6.873 25.438 8.378 821 HD2 HIS 96 HD2 HIS 96 6.954 21.295 8.391 822 HE1 HIS 96 HE1 HIS 96 7.933 24.784 6.210 823 HE2 HIS 96 HE2 HIS 96 8.055 22.273 6.280 824 H HIS 97 H HIS 97 7.776 23.441 12.939 825 HA HIS 97 HA HIS 97 5.731 23.577 15.070 826 HB2 HIS 97 2HB HIS 97 7.853 22.527 15.733 827 HB3 HIS 97 3HB HIS 97 8.769 23.909 15.148 828 HD1 HIS 97 HD1 HIS 97 9.301 25.666 16.854 829 HD2 HIS 97 HD2 HIS 97 6.189 23.198 18.093 830 HE1 HIS 97 HE1 HIS 97 8.735 26.404 19.182 831 HE2 HIS 97 HE2 HIS 97 6.737 25.023 19.837 832 H HIS 98 H HIS 98 7.370 25.405 12.711 833 HA HIS 98 HA HIS 98 7.150 27.453 11.886 834 HB2 HIS 98 2HB HIS 98 4.758 27.438 12.537 835 HB3 HIS 98 3HB HIS 98 5.184 28.104 14.110 836 HD1 HIS 98 HD1 HIS 98 4.873 30.580 14.226 837 HD2 HIS 98 HD2 HIS 98 5.750 29.340 10.360 838 HE1 HIS 98 HE1 HIS 98 4.817 32.659 12.820 839 HE2 HIS 98 HE2 HIS 98 5.237 31.863 10.469 840 H HIS 99 H HIS 99 7.114 27.892 15.453 841 HA HIS 99 HA HIS 99 8.826 30.152 15.489 842 HB2 HIS 99 2HB HIS 99 7.241 29.598 17.312 843 HB3 HIS 99 3HB HIS 99 8.193 28.176 17.722 844 HD1 HIS 99 HD1 HIS 99 10.519 28.604 18.850 845 HD2 HIS 99 HD2 HIS 99 8.195 32.008 18.361 846 HE1 HIS 99 HE1 HIS 99 11.539 30.338 20.346 847 HE2 HIS 99 HE2 HIS 99 10.024 32.333 20.146 Start of MODEL 5 1 H1 MET 1 1H MET 1 1.294 16.272 -6.257 2 H2 MET 1 2H MET 1 1.098 17.216 -4.876 3 H3 MET 1 3H MET 1 0.442 15.660 -4.938 4 HA MET 1 HA MET 1 3.315 16.338 -4.986 5 HB2 MET 1 2HB MET 1 1.679 14.952 -2.808 6 HB3 MET 1 3HB MET 1 3.400 15.327 -2.736 7 HG2 MET 1 2HG MET 1 1.112 17.312 -2.748 8 HG3 MET 1 3HG MET 1 2.182 16.922 -1.397 9 HE1 MET 1 3HE MET 1 1.623 19.946 -2.419 10 HE2 MET 1 1HE MET 1 3.259 20.591 -2.329 11 HE3 MET 1 2HE MET 1 2.660 19.537 -1.048 12 H GLY 2 H GLY 2 4.210 13.950 -3.942 13 HA2 GLY 2 2HA GLY 2 4.322 12.249 -6.204 14 HA3 GLY 2 3HA GLY 2 4.963 11.903 -4.608 15 H ARG 3 H ARG 3 3.341 10.324 -6.643 16 HA ARG 3 HA ARG 3 0.673 9.971 -6.022 17 HB2 ARG 3 2HB ARG 3 1.802 9.072 -8.023 18 HB3 ARG 3 3HB ARG 3 2.650 7.887 -7.035 19 HG2 ARG 3 2HG ARG 3 0.481 6.816 -6.478 20 HG3 ARG 3 3HG ARG 3 -0.356 8.012 -7.475 21 HD2 ARG 3 2HD ARG 3 1.682 5.986 -8.457 22 HD3 ARG 3 3HD ARG 3 -0.069 5.897 -8.675 23 HE ARG 3 HE ARG 3 1.236 8.281 -9.732 24 HH11 ARG 3 1HH1 ARG 3 -0.011 5.079 -10.477 25 HH12 ARG 3 2HH1 ARG 3 -0.119 5.403 -12.177 26 HH21 ARG 3 1HH2 ARG 3 1.046 8.695 -11.945 27 HH22 ARG 3 2HH2 ARG 3 0.478 7.449 -13.011 28 H LEU 4 H LEU 4 -0.546 8.655 -4.676 29 HA LEU 4 HA LEU 4 0.847 7.030 -2.631 30 HB2 LEU 4 2HB LEU 4 -0.638 8.945 -1.853 31 HB3 LEU 4 3HB LEU 4 -2.007 8.069 -2.514 32 HG LEU 4 HG LEU 4 -1.421 6.143 -0.939 33 HD11 LEU 4 1HD1 LEU 4 0.912 6.648 -0.530 34 HD12 LEU 4 2HD1 LEU 4 0.035 6.650 0.993 35 HD13 LEU 4 3HD1 LEU 4 0.492 8.178 0.242 36 HD21 LEU 4 3HD2 LEU 4 -2.109 8.779 0.407 37 HD22 LEU 4 1HD2 LEU 4 -2.420 7.162 1.049 38 HD23 LEU 4 2HD2 LEU 4 -3.248 7.703 -0.408 39 H VAL 5 H VAL 5 0.689 4.899 -2.870 40 HA VAL 5 HA VAL 5 -1.784 3.693 -3.994 41 HB VAL 5 HB VAL 5 1.079 2.682 -4.410 42 HG11 VAL 5 1HG1 VAL 5 -1.546 1.327 -5.180 43 HG12 VAL 5 2HG1 VAL 5 -0.393 0.753 -3.972 44 HG13 VAL 5 3HG1 VAL 5 0.060 0.788 -5.676 45 HG21 VAL 5 3HG2 VAL 5 0.454 4.485 -5.964 46 HG22 VAL 5 1HG2 VAL 5 -1.019 3.620 -6.413 47 HG23 VAL 5 2HG2 VAL 5 0.560 2.951 -6.830 48 H VAL 6 H VAL 6 -2.768 2.416 -2.585 49 HA VAL 6 HA VAL 6 -1.521 1.824 0.004 50 HB VAL 6 HB VAL 6 -4.468 1.697 -0.806 51 HG11 VAL 6 1HG1 VAL 6 -3.168 1.548 1.950 52 HG12 VAL 6 2HG1 VAL 6 -3.947 0.214 1.095 53 HG13 VAL 6 3HG1 VAL 6 -4.905 1.592 1.638 54 HG21 VAL 6 3HG2 VAL 6 -4.732 3.828 0.438 55 HG22 VAL 6 1HG2 VAL 6 -3.635 4.017 -0.935 56 HG23 VAL 6 2HG2 VAL 6 -2.988 3.893 0.704 57 H VAL 7 H VAL 7 -0.498 -0.069 -0.157 58 HA VAL 7 HA VAL 7 -1.598 -2.397 -1.514 59 HB VAL 7 HB VAL 7 0.873 -2.210 0.250 60 HG11 VAL 7 1HG1 VAL 7 0.117 -4.262 -1.858 61 HG12 VAL 7 2HG1 VAL 7 0.110 -4.516 -0.111 62 HG13 VAL 7 3HG1 VAL 7 1.635 -4.227 -0.954 63 HG21 VAL 7 3HG2 VAL 7 1.063 -0.574 -1.571 64 HG22 VAL 7 1HG2 VAL 7 0.720 -1.839 -2.761 65 HG23 VAL 7 2HG2 VAL 7 2.201 -1.902 -1.797 66 H VAL 8 H VAL 8 -2.771 -3.885 -0.521 67 HA VAL 8 HA VAL 8 -3.044 -4.008 2.422 68 HB VAL 8 HB VAL 8 -5.462 -4.563 2.068 69 HG11 VAL 8 1HG1 VAL 8 -4.682 -1.858 0.892 70 HG12 VAL 8 2HG1 VAL 8 -4.890 -2.228 2.607 71 HG13 VAL 8 3HG1 VAL 8 -6.279 -2.286 1.521 72 HG21 VAL 8 3HG2 VAL 8 -5.340 -5.453 -0.229 73 HG22 VAL 8 1HG2 VAL 8 -4.940 -3.851 -0.853 74 HG23 VAL 8 2HG2 VAL 8 -6.525 -4.156 -0.145 75 H THR 9 H THR 9 -3.563 -6.152 3.196 76 HA THR 9 HA THR 9 -2.819 -8.346 1.350 77 HB THR 9 HB THR 9 -2.447 -9.632 3.559 78 HG1 THR 9 HG1 THR 9 -1.967 -7.334 4.956 79 HG21 THR 9 3HG2 THR 9 -0.537 -8.797 2.209 80 HG22 THR 9 1HG2 THR 9 -0.199 -8.657 3.937 81 HG23 THR 9 2HG2 THR 9 -0.651 -7.227 3.008 82 H SER 10 H SER 10 -5.587 -6.967 2.438 83 HA SER 10 HA SER 10 -7.084 -9.519 2.428 84 HB2 SER 10 2HB SER 10 -6.963 -8.824 4.768 85 HB3 SER 10 3HB SER 10 -7.466 -7.186 4.355 86 HG SER 10 HG SER 10 -8.990 -9.575 4.259 87 H GLU 11 H GLU 11 -8.955 -9.475 1.304 88 HA GLU 11 HA GLU 11 -9.588 -7.455 -0.557 89 HB2 GLU 11 2HB GLU 11 -10.208 -9.789 -0.929 90 HB3 GLU 11 3HB GLU 11 -11.236 -9.794 0.497 91 HG2 GLU 11 2HG GLU 11 -12.559 -9.703 -1.569 92 HG3 GLU 11 3HG GLU 11 -12.806 -8.258 -0.591 93 H GLN 12 H GLN 12 -10.717 -8.086 2.730 94 HA GLN 12 HA GLN 12 -12.925 -6.307 2.800 95 HB2 GLN 12 2HB GLN 12 -12.412 -8.185 4.440 96 HB3 GLN 12 3HB GLN 12 -11.158 -7.175 5.137 97 HG2 GLN 12 2HG GLN 12 -14.073 -6.333 5.060 98 HG3 GLN 12 3HG GLN 12 -13.404 -7.292 6.371 99 HE21 GLN 12 1HE2 GLN 12 -10.842 -5.860 6.448 100 HE22 GLN 12 2HE2 GLN 12 -11.177 -4.310 7.126 101 H LEU 13 H LEU 13 -9.459 -5.878 3.459 102 HA LEU 13 HA LEU 13 -9.603 -3.092 4.165 103 HB2 LEU 13 2HB LEU 13 -7.254 -4.779 3.215 104 HB3 LEU 13 3HB LEU 13 -7.117 -3.148 3.860 105 HG LEU 13 HG LEU 13 -8.086 -5.582 5.417 106 HD11 LEU 13 1HD1 LEU 13 -5.700 -5.731 4.935 107 HD12 LEU 13 2HD1 LEU 13 -5.958 -5.397 6.645 108 HD13 LEU 13 3HD1 LEU 13 -5.439 -4.101 5.565 109 HD21 LEU 13 3HD2 LEU 13 -7.992 -4.126 7.407 110 HD22 LEU 13 1HD2 LEU 13 -9.166 -3.532 6.232 111 HD23 LEU 13 2HD2 LEU 13 -7.595 -2.739 6.389 112 H LYS 14 H LYS 14 -9.103 -4.894 1.185 113 HA LYS 14 HA LYS 14 -8.158 -2.872 -0.519 114 HB2 LYS 14 2HB LYS 14 -7.975 -5.227 -1.095 115 HB3 LYS 14 3HB LYS 14 -9.722 -5.421 -1.062 116 HG2 LYS 14 2HG LYS 14 -9.878 -3.905 -3.059 117 HG3 LYS 14 3HG LYS 14 -8.109 -3.878 -3.125 118 HD2 LYS 14 2HD LYS 14 -7.984 -6.203 -3.642 119 HD3 LYS 14 3HD LYS 14 -9.646 -6.493 -3.140 120 HE2 LYS 14 2HE LYS 14 -10.377 -5.068 -5.105 121 HE3 LYS 14 3HE LYS 14 -8.698 -5.095 -5.652 122 HZ1 LYS 14 3HZ LYS 14 -10.087 -6.820 -6.675 123 HZ2 LYS 14 1HZ LYS 14 -10.357 -7.509 -5.158 124 HZ3 LYS 14 2HZ LYS 14 -8.796 -7.472 -5.811 125 H GLU 15 H GLU 15 -11.460 -4.176 -0.144 126 HA GLU 15 HA GLU 15 -12.783 -2.348 -1.811 127 HB2 GLU 15 2HB GLU 15 -14.870 -3.070 -0.715 128 HB3 GLU 15 3HB GLU 15 -13.855 -4.448 -1.122 129 HG2 GLU 15 2HG GLU 15 -13.254 -4.820 1.148 130 HG3 GLU 15 3HG GLU 15 -13.868 -3.253 1.661 131 H GLU 16 H GLU 16 -11.946 -2.244 1.637 132 HA GLU 16 HA GLU 16 -13.460 -0.115 2.549 133 HB2 GLU 16 2HB GLU 16 -12.167 -1.521 4.062 134 HB3 GLU 16 3HB GLU 16 -10.659 -1.024 3.316 135 HG2 GLU 16 2HG GLU 16 -10.800 0.091 5.421 136 HG3 GLU 16 3HG GLU 16 -11.071 1.312 4.179 137 H VAL 17 H VAL 17 -10.076 0.016 1.395 138 HA VAL 17 HA VAL 17 -9.820 2.814 1.484 139 HB VAL 17 HB VAL 17 -8.213 0.875 -0.240 140 HG11 VAL 17 1HG1 VAL 17 -6.420 2.582 -0.136 141 HG12 VAL 17 2HG1 VAL 17 -7.482 3.660 0.769 142 HG13 VAL 17 3HG1 VAL 17 -7.870 3.237 -0.900 143 HG21 VAL 17 3HG2 VAL 17 -7.668 1.811 2.612 144 HG22 VAL 17 1HG2 VAL 17 -6.624 0.759 1.649 145 HG23 VAL 17 2HG2 VAL 17 -8.220 0.200 2.149 146 H ARG 18 H ARG 18 -10.773 0.645 -1.195 147 HA ARG 18 HA ARG 18 -10.948 2.647 -3.224 148 HB2 ARG 18 2HB ARG 18 -12.308 -0.073 -2.985 149 HB3 ARG 18 3HB ARG 18 -12.374 0.934 -4.433 150 HG2 ARG 18 2HG ARG 18 -9.926 0.775 -4.670 151 HG3 ARG 18 3HG ARG 18 -9.841 -0.211 -3.207 152 HD2 ARG 18 2HD ARG 18 -11.318 -0.973 -5.751 153 HD3 ARG 18 3HD ARG 18 -9.722 -1.564 -5.288 154 HE ARG 18 HE ARG 18 -10.997 -2.418 -3.200 155 HH11 ARG 18 1HH1 ARG 18 -12.353 -2.369 -6.444 156 HH12 ARG 18 2HH1 ARG 18 -13.388 -3.737 -6.160 157 HH21 ARG 18 1HH2 ARG 18 -12.303 -4.271 -2.881 158 HH22 ARG 18 2HH2 ARG 18 -13.357 -4.803 -4.154 159 H LYS 19 H LYS 19 -13.119 1.652 -0.687 160 HA LYS 19 HA LYS 19 -15.588 2.606 -1.840 161 HB2 LYS 19 2HB LYS 19 -15.342 0.682 -0.194 162 HB3 LYS 19 3HB LYS 19 -14.995 1.860 1.064 163 HG2 LYS 19 2HG LYS 19 -17.265 2.839 0.718 164 HG3 LYS 19 3HG LYS 19 -17.591 1.599 -0.499 165 HD2 LYS 19 2HD LYS 19 -17.042 1.135 2.463 166 HD3 LYS 19 3HD LYS 19 -18.598 0.962 1.650 167 HE2 LYS 19 2HE LYS 19 -17.706 -0.929 0.333 168 HE3 LYS 19 3HE LYS 19 -16.130 -0.739 1.108 169 HZ1 LYS 19 3HZ LYS 19 -17.456 -2.511 2.097 170 HZ2 LYS 19 1HZ LYS 19 -18.653 -1.398 2.523 171 HZ3 LYS 19 2HZ LYS 19 -17.116 -1.292 3.214 172 H LYS 20 H LYS 20 -13.258 3.749 0.570 173 HA LYS 20 HA LYS 20 -14.650 6.235 1.119 174 HB2 LYS 20 2HB LYS 20 -11.960 5.077 1.946 175 HB3 LYS 20 3HB LYS 20 -12.375 6.750 2.308 176 HG2 LYS 20 2HG LYS 20 -14.303 6.024 3.623 177 HG3 LYS 20 3HG LYS 20 -13.958 4.335 3.234 178 HD2 LYS 20 2HD LYS 20 -11.960 4.325 4.542 179 HD3 LYS 20 3HD LYS 20 -11.914 6.089 4.647 180 HE2 LYS 20 2HE LYS 20 -12.622 4.993 6.773 181 HE3 LYS 20 3HE LYS 20 -13.826 6.104 6.134 182 HZ1 LYS 20 3HZ LYS 20 -13.891 3.158 5.869 183 HZ2 LYS 20 1HZ LYS 20 -15.056 4.225 5.273 184 HZ3 LYS 20 2HZ LYS 20 -14.822 4.069 6.940 185 H PHE 21 H PHE 21 -11.902 5.153 -0.846 186 HA PHE 21 HA PHE 21 -11.585 7.841 -2.034 187 HB2 PHE 21 2HB PHE 21 -9.224 6.142 -1.119 188 HB3 PHE 21 3HB PHE 21 -9.162 7.759 -1.807 189 HD1 PHE 21 HD1 PHE 21 -10.328 9.669 -0.443 190 HD2 PHE 21 HD2 PHE 21 -9.266 5.871 1.209 191 HE1 PHE 21 HE1 PHE 21 -10.386 10.620 1.825 192 HE2 PHE 21 HE2 PHE 21 -9.333 6.842 3.458 193 HZ PHE 21 HZ PHE 21 -9.870 9.191 3.768 194 HA PRO 22 HA PRO 22 -11.300 4.933 -5.632 195 HB2 PRO 22 2HB PRO 22 -12.773 7.050 -7.089 196 HB3 PRO 22 3HB PRO 22 -13.232 5.357 -6.819 197 HG2 PRO 22 2HG PRO 22 -14.561 7.416 -5.646 198 HG3 PRO 22 3HG PRO 22 -14.399 5.818 -4.882 199 HD2 PRO 22 2HD PRO 22 -12.801 8.328 -4.347 200 HD3 PRO 22 3HD PRO 22 -13.510 7.173 -3.189 201 H GLN 23 H GLN 23 -10.314 7.992 -4.691 202 HA GLN 23 HA GLN 23 -8.965 8.966 -7.021 203 HB2 GLN 23 2HB GLN 23 -8.148 10.725 -5.413 204 HB3 GLN 23 3HB GLN 23 -9.896 10.533 -5.465 205 HG2 GLN 23 2HG GLN 23 -9.629 9.015 -3.389 206 HG3 GLN 23 3HG GLN 23 -7.991 9.656 -3.275 207 HE21 GLN 23 1HE2 GLN 23 -10.770 11.559 -4.309 208 HE22 GLN 23 2HE2 GLN 23 -10.824 12.565 -2.915 209 H VAL 24 H VAL 24 -8.053 6.750 -4.517 210 HA VAL 24 HA VAL 24 -5.198 6.938 -5.335 211 HB VAL 24 HB VAL 24 -4.610 5.834 -3.150 212 HG11 VAL 24 1HG1 VAL 24 -4.901 7.834 -1.712 213 HG12 VAL 24 2HG1 VAL 24 -6.092 8.479 -2.845 214 HG13 VAL 24 3HG1 VAL 24 -4.413 8.279 -3.349 215 HG21 VAL 24 3HG2 VAL 24 -6.762 4.731 -2.659 216 HG22 VAL 24 1HG2 VAL 24 -7.536 6.303 -2.433 217 HG23 VAL 24 2HG2 VAL 24 -6.283 5.761 -1.308 218 H GLU 25 H GLU 25 -4.086 4.986 -5.719 219 HA GLU 25 HA GLU 25 -5.726 2.821 -6.791 220 HB2 GLU 25 2HB GLU 25 -2.688 3.128 -6.809 221 HB3 GLU 25 3HB GLU 25 -3.624 1.953 -7.731 222 HG2 GLU 25 2HG GLU 25 -4.699 3.829 -8.966 223 HG3 GLU 25 3HG GLU 25 -3.669 4.964 -8.091 224 H VAL 26 H VAL 26 -5.597 0.659 -6.103 225 HA VAL 26 HA VAL 26 -4.313 0.123 -3.478 226 HB VAL 26 HB VAL 26 -7.071 -0.887 -4.358 227 HG11 VAL 26 1HG1 VAL 26 -7.270 -1.790 -2.059 228 HG12 VAL 26 2HG1 VAL 26 -5.627 -1.255 -1.697 229 HG13 VAL 26 3HG1 VAL 26 -5.898 -2.513 -2.906 230 HG21 VAL 26 3HG2 VAL 26 -6.365 1.214 -2.267 231 HG22 VAL 26 1HG2 VAL 26 -7.985 0.576 -2.570 232 HG23 VAL 26 2HG2 VAL 26 -7.158 1.512 -3.817 233 H ARG 27 H ARG 27 -3.068 -1.694 -3.433 234 HA ARG 27 HA ARG 27 -3.274 -3.695 -5.628 235 HB2 ARG 27 2HB ARG 27 -0.883 -2.902 -3.903 236 HB3 ARG 27 3HB ARG 27 -0.882 -4.261 -5.019 237 HG2 ARG 27 2HG ARG 27 -1.243 -1.353 -5.822 238 HG3 ARG 27 3HG ARG 27 0.268 -2.257 -5.916 239 HD2 ARG 27 2HD ARG 27 -0.580 -2.319 -8.114 240 HD3 ARG 27 3HD ARG 27 -1.008 -3.893 -7.457 241 HE ARG 27 HE ARG 27 -3.124 -2.008 -7.121 242 HH11 ARG 27 1HH1 ARG 27 -1.661 -4.047 -9.596 243 HH12 ARG 27 2HH1 ARG 27 -3.123 -4.153 -10.527 244 HH21 ARG 27 1HH2 ARG 27 -5.015 -2.168 -8.348 245 HH22 ARG 27 2HH2 ARG 27 -5.019 -3.090 -9.822 246 H LEU 28 H LEU 28 -3.946 -5.680 -5.025 247 HA LEU 28 HA LEU 28 -4.266 -6.328 -2.169 248 HB2 LEU 28 2HB LEU 28 -6.226 -6.589 -3.657 249 HB3 LEU 28 3HB LEU 28 -5.343 -7.736 -4.650 250 HG LEU 28 HG LEU 28 -5.263 -9.346 -2.753 251 HD11 LEU 28 1HD1 LEU 28 -6.874 -7.292 -1.209 252 HD12 LEU 28 2HD1 LEU 28 -5.212 -7.794 -0.879 253 HD13 LEU 28 3HD1 LEU 28 -6.532 -8.944 -0.684 254 HD21 LEU 28 3HD2 LEU 28 -7.152 -9.507 -4.308 255 HD22 LEU 28 1HD2 LEU 28 -8.088 -8.380 -3.321 256 HD23 LEU 28 2HD2 LEU 28 -7.644 -9.964 -2.679 257 H VAL 29 H VAL 29 -3.046 -7.822 -1.146 258 HA VAL 29 HA VAL 29 -1.197 -9.559 -2.673 259 HB VAL 29 HB VAL 29 -0.616 -7.954 -0.132 260 HG11 VAL 29 1HG1 VAL 29 1.182 -10.031 -1.458 261 HG12 VAL 29 2HG1 VAL 29 0.401 -10.188 0.118 262 HG13 VAL 29 3HG1 VAL 29 1.649 -8.966 -0.127 263 HG21 VAL 29 3HG2 VAL 29 1.183 -6.912 -1.475 264 HG22 VAL 29 1HG2 VAL 29 -0.402 -6.653 -2.211 265 HG23 VAL 29 2HG2 VAL 29 0.694 -7.866 -2.879 266 H THR 30 H THR 30 -2.219 -11.513 -2.440 267 HA THR 30 HA THR 30 -3.076 -12.383 0.261 268 HB THR 30 HB THR 30 -4.212 -14.272 -0.935 269 HG1 THR 30 HG1 THR 30 -3.274 -12.894 -3.255 270 HG21 THR 30 3HG2 THR 30 -4.986 -11.509 -1.962 271 HG22 THR 30 1HG2 THR 30 -5.511 -12.227 -0.435 272 HG23 THR 30 2HG2 THR 30 -6.028 -12.933 -1.967 273 H THR 31 H THR 31 -0.670 -12.910 -2.181 274 HA THR 31 HA THR 31 0.634 -15.025 -0.556 275 HB THR 31 HB THR 31 1.679 -15.881 -2.636 276 HG1 THR 31 HG1 THR 31 -0.033 -14.329 -4.247 277 HG21 THR 31 3HG2 THR 31 -1.348 -15.719 -2.932 278 HG22 THR 31 1HG2 THR 31 -0.471 -16.923 -1.981 279 HG23 THR 31 2HG2 THR 31 -0.298 -16.887 -3.737 280 H GLU 32 H GLU 32 3.008 -14.902 -0.560 281 HA GLU 32 HA GLU 32 4.212 -12.365 -0.398 282 HB2 GLU 32 2HB GLU 32 5.221 -14.315 0.707 283 HB3 GLU 32 3HB GLU 32 5.507 -15.095 -0.848 284 HG2 GLU 32 2HG GLU 32 7.107 -13.287 -1.450 285 HG3 GLU 32 3HG GLU 32 6.824 -12.524 0.114 286 H GLU 33 H GLU 33 3.820 -14.631 -3.061 287 HA GLU 33 HA GLU 33 5.462 -13.579 -5.046 288 HB2 GLU 33 2HB GLU 33 2.692 -14.828 -5.338 289 HB3 GLU 33 3HB GLU 33 3.824 -14.564 -6.667 290 HG2 GLU 33 2HG GLU 33 5.449 -16.078 -5.582 291 HG3 GLU 33 3HG GLU 33 4.302 -16.354 -4.267 292 H ASP 34 H ASP 34 2.127 -12.647 -4.141 293 HA ASP 34 HA ASP 34 1.734 -10.624 -6.065 294 HB2 ASP 34 2HB ASP 34 0.522 -10.887 -3.281 295 HB3 ASP 34 3HB ASP 34 -0.014 -9.712 -4.481 296 H ALA 35 H ALA 35 3.142 -10.513 -2.795 297 HA ALA 35 HA ALA 35 3.480 -7.725 -2.532 298 HB1 ALA 35 3HB ALA 35 5.178 -9.943 -1.331 299 HB2 ALA 35 1HB ALA 35 3.701 -9.282 -0.631 300 HB3 ALA 35 2HB ALA 35 5.136 -8.265 -0.781 301 H LYS 36 H LYS 36 5.571 -10.221 -3.944 302 HA LYS 36 HA LYS 36 7.817 -8.655 -4.634 303 HB2 LYS 36 2HB LYS 36 6.693 -11.173 -5.933 304 HB3 LYS 36 3HB LYS 36 8.301 -10.517 -6.238 305 HG2 LYS 36 2HG LYS 36 8.993 -10.974 -3.965 306 HG3 LYS 36 3HG LYS 36 7.351 -11.436 -3.510 307 HD2 LYS 36 2HD LYS 36 8.850 -13.399 -3.869 308 HD3 LYS 36 3HD LYS 36 7.436 -13.405 -4.924 309 HE2 LYS 36 2HE LYS 36 9.512 -14.076 -6.115 310 HE3 LYS 36 3HE LYS 36 8.792 -12.625 -6.808 311 HZ1 LYS 36 3HZ LYS 36 10.416 -11.300 -5.631 312 HZ2 LYS 36 1HZ LYS 36 11.189 -12.445 -6.602 313 HZ3 LYS 36 2HZ LYS 36 11.089 -12.680 -4.936 314 H GLN 37 H GLN 37 4.847 -9.494 -6.403 315 HA GLN 37 HA GLN 37 5.456 -8.255 -8.875 316 HB2 GLN 37 2HB GLN 37 2.699 -8.696 -7.638 317 HB3 GLN 37 3HB GLN 37 3.021 -8.351 -9.335 318 HG2 GLN 37 2HG GLN 37 3.991 -10.827 -7.891 319 HG3 GLN 37 3HG GLN 37 2.494 -10.748 -8.805 320 HE21 GLN 37 1HE2 GLN 37 3.188 -12.422 -10.145 321 HE22 GLN 37 2HE2 GLN 37 4.380 -12.202 -11.376 322 H VAL 38 H VAL 38 3.957 -7.095 -5.898 323 HA VAL 38 HA VAL 38 3.198 -4.521 -6.811 324 HB VAL 38 HB VAL 38 3.600 -5.631 -3.996 325 HG11 VAL 38 1HG1 VAL 38 2.432 -3.617 -3.142 326 HG12 VAL 38 2HG1 VAL 38 2.466 -2.909 -4.759 327 HG13 VAL 38 3HG1 VAL 38 3.975 -3.197 -3.890 328 HG21 VAL 38 3HG2 VAL 38 1.708 -6.587 -5.255 329 HG22 VAL 38 1HG2 VAL 38 1.086 -4.970 -5.586 330 HG23 VAL 38 2HG2 VAL 38 1.117 -5.583 -3.931 331 H ILE 39 H ILE 39 6.176 -5.756 -5.242 332 HA ILE 39 HA ILE 39 7.606 -3.390 -4.881 333 HB ILE 39 HB ILE 39 8.614 -6.128 -5.783 334 HG12 ILE 39 2HG1 ILE 39 8.727 -4.761 -3.053 335 HG13 ILE 39 3HG1 ILE 39 7.594 -6.025 -3.506 336 HG21 ILE 39 1HG2 ILE 39 10.310 -3.759 -4.902 337 HG22 ILE 39 2HG2 ILE 39 10.265 -4.466 -6.519 338 HG23 ILE 39 3HG2 ILE 39 10.907 -5.400 -5.169 339 HD11 ILE 39 3HD1 ILE 39 9.471 -7.590 -3.773 340 HD12 ILE 39 1HD1 ILE 39 9.370 -6.916 -2.145 341 HD13 ILE 39 2HD1 ILE 39 10.586 -6.314 -3.272 342 H LYS 40 H LYS 40 7.248 -5.370 -7.807 343 HA LYS 40 HA LYS 40 8.809 -3.740 -9.563 344 HB2 LYS 40 2HB LYS 40 6.631 -5.765 -10.259 345 HB3 LYS 40 3HB LYS 40 7.873 -5.150 -11.351 346 HG2 LYS 40 2HG LYS 40 9.616 -6.233 -9.929 347 HG3 LYS 40 3HG LYS 40 8.336 -6.888 -8.902 348 HD2 LYS 40 2HD LYS 40 9.049 -8.611 -10.459 349 HD3 LYS 40 3HD LYS 40 7.411 -8.103 -10.885 350 HE2 LYS 40 2HE LYS 40 8.712 -8.340 -12.921 351 HE3 LYS 40 3HE LYS 40 8.390 -6.628 -12.671 352 HZ1 LYS 40 3HZ LYS 40 10.920 -8.045 -12.045 353 HZ2 LYS 40 1HZ LYS 40 10.623 -6.408 -11.754 354 HZ3 LYS 40 2HZ LYS 40 10.660 -6.989 -13.337 355 H GLU 41 H GLU 41 5.404 -3.868 -8.671 356 HA GLU 41 HA GLU 41 4.348 -2.533 -10.956 357 HB2 GLU 41 2HB GLU 41 3.126 -4.154 -9.384 358 HB3 GLU 41 3HB GLU 41 3.007 -2.831 -8.231 359 HG2 GLU 41 2HG GLU 41 0.929 -3.044 -9.453 360 HG3 GLU 41 3HG GLU 41 1.707 -1.522 -9.886 361 H ILE 42 H ILE 42 5.043 -1.561 -7.643 362 HA ILE 42 HA ILE 42 4.314 1.107 -7.604 363 HB ILE 42 HB ILE 42 6.567 -0.389 -6.187 364 HG12 ILE 42 2HG1 ILE 42 3.896 0.601 -5.071 365 HG13 ILE 42 3HG1 ILE 42 4.167 -1.036 -5.655 366 HG21 ILE 42 1HG2 ILE 42 6.780 1.482 -4.612 367 HG22 ILE 42 2HG2 ILE 42 5.617 2.414 -5.545 368 HG23 ILE 42 3HG2 ILE 42 7.174 1.999 -6.253 369 HD11 ILE 42 3HD1 ILE 42 5.839 -1.394 -3.915 370 HD12 ILE 42 1HD1 ILE 42 4.285 -0.918 -3.232 371 HD13 ILE 42 2HD1 ILE 42 5.598 0.255 -3.331 372 H GLN 43 H GLN 43 7.310 -0.418 -8.766 373 HA GLN 43 HA GLN 43 8.718 2.034 -9.275 374 HB2 GLN 43 2HB GLN 43 9.301 -0.786 -10.274 375 HB3 GLN 43 3HB GLN 43 10.419 0.580 -10.334 376 HG2 GLN 43 2HG GLN 43 10.469 0.676 -7.884 377 HG3 GLN 43 3HG GLN 43 9.296 -0.636 -7.791 378 HE21 GLN 43 1HE2 GLN 43 10.617 -2.065 -6.691 379 HE22 GLN 43 2HE2 GLN 43 12.057 -2.749 -7.354 380 H LYS 44 H LYS 44 6.659 -0.103 -11.201 381 HA LYS 44 HA LYS 44 7.127 1.134 -13.737 382 HB2 LYS 44 2HB LYS 44 4.966 -0.714 -12.672 383 HB3 LYS 44 3HB LYS 44 4.755 0.045 -14.247 384 HG2 LYS 44 2HG LYS 44 7.039 -1.790 -13.448 385 HG3 LYS 44 3HG LYS 44 5.669 -2.210 -14.483 386 HD2 LYS 44 2HD LYS 44 6.440 -0.372 -16.077 387 HD3 LYS 44 3HD LYS 44 7.898 -0.217 -15.093 388 HE2 LYS 44 2HE LYS 44 7.010 -2.699 -16.610 389 HE3 LYS 44 3HE LYS 44 8.311 -1.606 -17.077 390 HZ1 LYS 44 3HZ LYS 44 9.227 -3.532 -16.050 391 HZ2 LYS 44 1HZ LYS 44 8.234 -3.363 -14.691 392 HZ3 LYS 44 2HZ LYS 44 9.447 -2.232 -14.998 393 H LYS 45 H LYS 45 4.717 1.657 -11.179 394 HA LYS 45 HA LYS 45 3.300 3.761 -12.562 395 HB2 LYS 45 2HB LYS 45 3.105 2.440 -9.862 396 HB3 LYS 45 3HB LYS 45 2.444 4.055 -9.996 397 HG2 LYS 45 2HG LYS 45 0.696 2.410 -10.234 398 HG3 LYS 45 3HG LYS 45 0.880 3.312 -11.733 399 HD2 LYS 45 2HD LYS 45 2.241 0.620 -11.423 400 HD3 LYS 45 3HD LYS 45 0.515 0.686 -11.768 401 HE2 LYS 45 2HE LYS 45 0.993 2.001 -13.823 402 HE3 LYS 45 3HE LYS 45 2.719 1.879 -13.485 403 HZ1 LYS 45 3HZ LYS 45 2.159 0.221 -15.050 404 HZ2 LYS 45 1HZ LYS 45 0.855 -0.324 -14.120 405 HZ3 LYS 45 2HZ LYS 45 2.435 -0.569 -13.579 406 H GLY 46 H GLY 46 6.139 3.565 -10.628 407 HA2 GLY 46 2HA GLY 46 7.706 5.125 -10.022 408 HA3 GLY 46 3HA GLY 46 6.824 6.318 -10.972 409 H VAL 47 H VAL 47 5.856 4.381 -8.137 410 HA VAL 47 HA VAL 47 4.382 6.617 -7.036 411 HB VAL 47 HB VAL 47 4.833 3.907 -5.721 412 HG11 VAL 47 1HG1 VAL 47 3.873 5.615 -4.240 413 HG12 VAL 47 2HG1 VAL 47 2.701 4.342 -4.580 414 HG13 VAL 47 3HG1 VAL 47 2.568 5.902 -5.396 415 HG21 VAL 47 3HG2 VAL 47 3.987 3.505 -7.985 416 HG22 VAL 47 1HG2 VAL 47 2.641 4.613 -7.693 417 HG23 VAL 47 2HG2 VAL 47 2.766 3.111 -6.773 418 H GLN 48 H GLN 48 5.011 7.892 -5.391 419 HA GLN 48 HA GLN 48 7.713 7.687 -4.301 420 HB2 GLN 48 2HB GLN 48 5.548 9.827 -4.120 421 HB3 GLN 48 3HB GLN 48 7.063 9.929 -3.238 422 HG2 GLN 48 2HG GLN 48 7.236 11.303 -5.189 423 HG3 GLN 48 3HG GLN 48 8.300 9.915 -5.392 424 HE21 GLN 48 1HE2 GLN 48 8.337 10.309 -7.634 425 HE22 GLN 48 2HE2 GLN 48 7.003 9.914 -8.654 426 H LYS 49 H LYS 49 4.351 7.778 -3.163 427 HA LYS 49 HA LYS 49 5.159 7.066 -0.396 428 HB2 LYS 49 2HB LYS 49 2.558 8.405 -1.266 429 HB3 LYS 49 3HB LYS 49 3.254 8.335 0.352 430 HG2 LYS 49 2HG LYS 49 4.951 9.950 -0.219 431 HG3 LYS 49 3HG LYS 49 4.555 9.845 -1.936 432 HD2 LYS 49 2HD LYS 49 3.636 11.908 -1.042 433 HD3 LYS 49 3HD LYS 49 2.307 10.821 -1.459 434 HE2 LYS 49 2HE LYS 49 1.824 11.869 0.667 435 HE3 LYS 49 3HE LYS 49 2.173 10.163 0.960 436 HZ1 LYS 49 3HZ LYS 49 4.381 10.747 1.663 437 HZ2 LYS 49 1HZ LYS 49 3.259 11.654 2.544 438 HZ3 LYS 49 2HZ LYS 49 4.125 12.370 1.286 439 H VAL 50 H VAL 50 4.502 5.053 0.253 440 HA VAL 50 HA VAL 50 2.141 3.766 -1.012 441 HB VAL 50 HB VAL 50 4.796 2.460 -0.219 442 HG11 VAL 50 1HG1 VAL 50 2.269 1.105 -1.256 443 HG12 VAL 50 2HG1 VAL 50 2.947 0.938 0.366 444 HG13 VAL 50 3HG1 VAL 50 3.835 0.320 -1.027 445 HG21 VAL 50 3HG2 VAL 50 4.878 3.643 -2.386 446 HG22 VAL 50 1HG2 VAL 50 3.470 2.738 -2.950 447 HG23 VAL 50 2HG2 VAL 50 4.988 1.900 -2.618 448 H VAL 51 H VAL 51 0.628 3.064 0.420 449 HA VAL 51 HA VAL 51 1.216 3.065 3.317 450 HB VAL 51 HB VAL 51 -1.491 2.803 1.906 451 HG11 VAL 51 1HG1 VAL 51 -1.495 1.761 4.141 452 HG12 VAL 51 2HG1 VAL 51 -2.472 3.228 4.142 453 HG13 VAL 51 3HG1 VAL 51 -0.856 3.246 4.855 454 HG21 VAL 51 3HG2 VAL 51 -0.519 5.025 1.525 455 HG22 VAL 51 1HG2 VAL 51 -0.272 5.235 3.261 456 HG23 VAL 51 2HG2 VAL 51 -1.909 5.130 2.606 457 H LEU 52 H LEU 52 1.639 1.133 4.268 458 HA LEU 52 HA LEU 52 0.806 -1.384 2.932 459 HB2 LEU 52 2HB LEU 52 3.076 -0.791 4.872 460 HB3 LEU 52 3HB LEU 52 2.611 -2.417 4.401 461 HG LEU 52 HG LEU 52 3.695 -0.275 2.517 462 HD11 LEU 52 1HD1 LEU 52 5.421 -1.222 4.002 463 HD12 LEU 52 2HD1 LEU 52 5.675 -1.677 2.322 464 HD13 LEU 52 3HD1 LEU 52 4.999 -2.849 3.460 465 HD21 LEU 52 3HD2 LEU 52 2.899 -3.137 1.920 466 HD22 LEU 52 1HD2 LEU 52 3.741 -2.048 0.809 467 HD23 LEU 52 2HD2 LEU 52 2.110 -1.667 1.342 468 H VAL 53 H VAL 53 -0.995 -2.192 3.769 469 HA VAL 53 HA VAL 53 -1.699 -1.741 6.616 470 HB VAL 53 HB VAL 53 -3.710 -2.466 4.433 471 HG11 VAL 53 1HG1 VAL 53 -5.352 -1.445 5.981 472 HG12 VAL 53 2HG1 VAL 53 -4.057 -1.066 7.119 473 HG13 VAL 53 3HG1 VAL 53 -4.457 -2.749 6.770 474 HG21 VAL 53 3HG2 VAL 53 -4.256 -0.072 4.152 475 HG22 VAL 53 1HG2 VAL 53 -2.598 -0.417 3.650 476 HG23 VAL 53 2HG2 VAL 53 -2.904 0.367 5.199 477 H GLY 54 H GLY 54 -1.563 -3.491 7.855 478 HA2 GLY 54 2HA GLY 54 -1.867 -5.602 8.694 479 HA3 GLY 54 3HA GLY 54 -2.865 -5.956 7.291 480 H VAL 55 H VAL 55 0.489 -4.945 6.940 481 HA VAL 55 HA VAL 55 1.096 -7.522 5.642 482 HB VAL 55 HB VAL 55 2.985 -6.406 4.569 483 HG11 VAL 55 1HG1 VAL 55 0.817 -6.091 3.465 484 HG12 VAL 55 2HG1 VAL 55 1.826 -4.663 3.228 485 HG13 VAL 55 3HG1 VAL 55 0.513 -4.632 4.411 486 HG21 VAL 55 3HG2 VAL 55 3.545 -4.009 4.949 487 HG22 VAL 55 1HG2 VAL 55 3.761 -4.972 6.413 488 HG23 VAL 55 2HG2 VAL 55 2.343 -3.938 6.240 489 H SER 56 H SER 56 2.946 -8.726 6.217 490 HA SER 56 HA SER 56 3.912 -8.688 8.886 491 HB2 SER 56 2HB SER 56 5.219 -9.954 6.429 492 HB3 SER 56 3HB SER 56 5.472 -10.422 8.114 493 HG SER 56 HG SER 56 3.430 -11.239 8.195 494 H GLU 57 H GLU 57 5.929 -7.868 9.702 495 HA GLU 57 HA GLU 57 6.822 -5.428 8.537 496 HB2 GLU 57 2HB GLU 57 7.922 -7.039 10.865 497 HB3 GLU 57 3HB GLU 57 8.589 -5.483 10.371 498 HG2 GLU 57 2HG GLU 57 6.333 -4.448 10.755 499 HG3 GLU 57 3HG GLU 57 5.774 -6.004 11.376 500 H LYS 58 H LYS 58 7.995 -8.700 8.269 501 HA LYS 58 HA LYS 58 10.522 -8.194 7.105 502 HB2 LYS 58 2HB LYS 58 10.330 -10.520 6.183 503 HB3 LYS 58 3HB LYS 58 10.010 -10.425 7.909 504 HG2 LYS 58 2HG LYS 58 7.590 -10.572 7.494 505 HG3 LYS 58 3HG LYS 58 7.875 -10.609 5.756 506 HD2 LYS 58 2HD LYS 58 7.408 -12.858 6.520 507 HD3 LYS 58 3HD LYS 58 9.097 -12.775 6.032 508 HE2 LYS 58 2HE LYS 58 8.236 -12.517 8.932 509 HE3 LYS 58 3HE LYS 58 8.550 -14.077 8.182 510 HZ1 LYS 58 3HZ LYS 58 10.491 -11.869 8.558 511 HZ2 LYS 58 1HZ LYS 58 10.813 -13.279 7.688 512 HZ3 LYS 58 2HZ LYS 58 10.478 -13.360 9.337 513 H LEU 59 H LEU 59 7.247 -8.382 5.762 514 HA LEU 59 HA LEU 59 7.988 -7.975 3.003 515 HB2 LEU 59 2HB LEU 59 5.312 -7.671 4.440 516 HB3 LEU 59 3HB LEU 59 5.513 -7.530 2.698 517 HG LEU 59 HG LEU 59 6.111 -10.069 4.277 518 HD11 LEU 59 1HD1 LEU 59 4.010 -10.957 3.349 519 HD12 LEU 59 2HD1 LEU 59 3.652 -9.383 2.631 520 HD13 LEU 59 3HD1 LEU 59 3.719 -9.559 4.386 521 HD21 LEU 59 3HD2 LEU 59 6.154 -11.158 2.055 522 HD22 LEU 59 1HD2 LEU 59 7.401 -9.916 2.195 523 HD23 LEU 59 2HD2 LEU 59 5.929 -9.588 1.276 524 H LEU 60 H LEU 60 7.046 -5.957 5.740 525 HA LEU 60 HA LEU 60 6.450 -3.577 4.384 526 HB2 LEU 60 2HB LEU 60 5.740 -3.969 6.660 527 HB3 LEU 60 3HB LEU 60 7.391 -4.078 7.224 528 HG LEU 60 HG LEU 60 6.556 -1.447 5.996 529 HD11 LEU 60 1HD1 LEU 60 4.606 -1.979 7.394 530 HD12 LEU 60 2HD1 LEU 60 5.529 -0.634 8.055 531 HD13 LEU 60 3HD1 LEU 60 5.660 -2.236 8.789 532 HD21 LEU 60 3HD2 LEU 60 8.278 -2.143 8.417 533 HD22 LEU 60 1HD2 LEU 60 8.015 -0.515 7.775 534 HD23 LEU 60 2HD2 LEU 60 8.865 -1.717 6.809 535 H GLN 61 H GLN 61 9.454 -4.582 6.008 536 HA GLN 61 HA GLN 61 11.055 -2.373 5.273 537 HB2 GLN 61 2HB GLN 61 11.810 -5.217 6.072 538 HB3 GLN 61 3HB GLN 61 12.972 -3.897 5.928 539 HG2 GLN 61 2HG GLN 61 11.982 -2.710 7.762 540 HG3 GLN 61 3HG GLN 61 10.596 -3.800 7.810 541 HE21 GLN 61 1HE2 GLN 61 10.864 -5.875 8.709 542 HE22 GLN 61 2HE2 GLN 61 12.207 -6.271 9.709 543 H LYS 62 H LYS 62 10.415 -5.488 3.726 544 HA LYS 62 HA LYS 62 12.477 -5.408 1.785 545 HB2 LYS 62 2HB LYS 62 11.298 -7.471 2.484 546 HB3 LYS 62 3HB LYS 62 9.826 -6.905 1.709 547 HG2 LYS 62 2HG LYS 62 10.759 -7.171 -0.485 548 HG3 LYS 62 3HG LYS 62 12.397 -7.331 0.156 549 HD2 LYS 62 2HD LYS 62 11.500 -9.520 -0.567 550 HD3 LYS 62 3HD LYS 62 11.834 -9.498 1.167 551 HE2 LYS 62 2HE LYS 62 9.355 -9.013 1.524 552 HE3 LYS 62 3HE LYS 62 9.123 -9.337 -0.198 553 HZ1 LYS 62 3HZ LYS 62 10.055 -11.558 0.171 554 HZ2 LYS 62 1HZ LYS 62 8.681 -11.300 1.118 555 HZ3 LYS 62 2HZ LYS 62 10.215 -11.227 1.817 556 H ILE 63 H ILE 63 8.956 -4.786 1.410 557 HA ILE 63 HA ILE 63 9.026 -3.763 -1.195 558 HB ILE 63 HB ILE 63 7.002 -3.566 1.063 559 HG12 ILE 63 2HG1 ILE 63 5.511 -4.780 -0.561 560 HG13 ILE 63 3HG1 ILE 63 6.784 -4.726 -1.766 561 HG21 ILE 63 1HG2 ILE 63 6.813 -1.354 0.027 562 HG22 ILE 63 2HG2 ILE 63 5.398 -2.329 -0.367 563 HG23 ILE 63 3HG2 ILE 63 6.666 -2.087 -1.572 564 HD11 ILE 63 3HD1 ILE 63 6.605 -6.918 -0.784 565 HD12 ILE 63 1HD1 ILE 63 6.841 -6.252 0.832 566 HD13 ILE 63 2HD1 ILE 63 8.154 -6.197 -0.346 567 H LYS 64 H LYS 64 9.575 -2.174 1.927 568 HA LYS 64 HA LYS 64 9.460 0.532 1.163 569 HB2 LYS 64 2HB LYS 64 9.564 -0.459 3.531 570 HB3 LYS 64 3HB LYS 64 11.295 -0.637 3.314 571 HG2 LYS 64 2HG LYS 64 9.903 2.053 3.096 572 HG3 LYS 64 3HG LYS 64 10.437 1.399 4.644 573 HD2 LYS 64 2HD LYS 64 12.775 1.386 3.855 574 HD3 LYS 64 3HD LYS 64 12.260 1.951 2.265 575 HE2 LYS 64 2HE LYS 64 11.446 4.056 3.286 576 HE3 LYS 64 3HE LYS 64 12.000 3.495 4.866 577 HZ1 LYS 64 3HZ LYS 64 13.597 4.969 3.856 578 HZ2 LYS 64 1HZ LYS 64 13.717 3.976 2.494 579 HZ3 LYS 64 2HZ LYS 64 14.252 3.422 3.996 580 H GLN 65 H GLN 65 12.263 -1.659 1.377 581 HA GLN 65 HA GLN 65 14.166 0.282 0.397 582 HB2 GLN 65 2HB GLN 65 14.459 -2.704 0.945 583 HB3 GLN 65 3HB GLN 65 15.798 -1.616 0.574 584 HG2 GLN 65 2HG GLN 65 15.452 -0.379 2.620 585 HG3 GLN 65 3HG GLN 65 13.967 -1.262 2.969 586 HE21 GLN 65 1HE2 GLN 65 14.119 -3.413 3.710 587 HE22 GLN 65 2HE2 GLN 65 15.583 -4.062 4.353 588 H GLU 66 H GLU 66 12.668 -2.646 -0.923 589 HA GLU 66 HA GLU 66 14.235 -2.778 -3.285 590 HB2 GLU 66 2HB GLU 66 11.615 -4.164 -2.571 591 HB3 GLU 66 3HB GLU 66 12.562 -4.521 -4.015 592 HG2 GLU 66 2HG GLU 66 13.428 -4.938 -1.137 593 HG3 GLU 66 3HG GLU 66 12.963 -6.190 -2.287 594 H ALA 67 H ALA 67 10.894 -1.617 -2.656 595 HA ALA 67 HA ALA 67 10.604 -0.618 -5.375 596 HB1 ALA 67 3HB ALA 67 8.432 0.220 -4.628 597 HB2 ALA 67 1HB ALA 67 8.821 -0.186 -2.953 598 HB3 ALA 67 2HB ALA 67 8.644 -1.465 -4.158 599 H ASN 68 H ASN 68 11.866 0.523 -2.372 600 HA ASN 68 HA ASN 68 13.006 2.355 -1.730 601 HB2 ASN 68 2HB ASN 68 14.192 1.971 -3.920 602 HB3 ASN 68 3HB ASN 68 13.087 3.101 -4.690 603 HD21 ASN 68 1HD2 ASN 68 14.746 4.496 -5.302 604 HD22 ASN 68 2HD2 ASN 68 15.625 5.468 -4.175 605 H VAL 69 H VAL 69 10.768 2.728 -0.851 606 HA VAL 69 HA VAL 69 9.570 5.283 -1.759 607 HB VAL 69 HB VAL 69 7.284 4.307 -1.290 608 HG11 VAL 69 1HG1 VAL 69 8.098 4.497 -3.602 609 HG12 VAL 69 2HG1 VAL 69 7.065 3.083 -3.401 610 HG13 VAL 69 3HG1 VAL 69 8.817 2.887 -3.495 611 HG21 VAL 69 3HG2 VAL 69 8.769 1.638 -1.164 612 HG22 VAL 69 1HG2 VAL 69 7.012 1.826 -1.208 613 HG23 VAL 69 2HG2 VAL 69 7.929 2.425 0.175 614 H GLN 70 H GLN 70 8.169 6.291 -0.178 615 HA GLN 70 HA GLN 70 8.936 5.923 2.619 616 HB2 GLN 70 2HB GLN 70 7.226 7.987 1.161 617 HB3 GLN 70 3HB GLN 70 7.299 7.914 2.916 618 HG2 GLN 70 2HG GLN 70 8.786 9.641 2.087 619 HG3 GLN 70 3HG GLN 70 9.707 8.367 2.866 620 HE21 GLN 70 1HE2 GLN 70 11.115 7.102 1.605 621 HE22 GLN 70 2HE2 GLN 70 11.553 7.534 -0.009 622 H VAL 71 H VAL 71 7.869 4.453 3.760 623 HA VAL 71 HA VAL 71 5.235 3.471 2.926 624 HB VAL 71 HB VAL 71 7.404 2.308 4.722 625 HG11 VAL 71 1HG1 VAL 71 5.286 1.792 5.863 626 HG12 VAL 71 2HG1 VAL 71 5.929 0.330 5.114 627 HG13 VAL 71 3HG1 VAL 71 4.587 1.193 4.356 628 HG21 VAL 71 3HG2 VAL 71 7.370 0.474 3.049 629 HG22 VAL 71 1HG2 VAL 71 7.694 2.033 2.284 630 HG23 VAL 71 2HG2 VAL 71 6.091 1.304 2.160 631 H TYR 72 H TYR 72 3.484 4.068 3.921 632 HA TYR 72 HA TYR 72 3.480 5.166 6.650 633 HB2 TYR 72 2HB TYR 72 1.460 5.321 4.364 634 HB3 TYR 72 3HB TYR 72 1.138 5.923 5.991 635 HD1 TYR 72 HD2 TYR 72 3.319 6.420 2.978 636 HD2 TYR 72 HD1 TYR 72 2.021 8.039 6.726 637 HE1 TYR 72 HE2 TYR 72 4.413 8.562 2.438 638 HE2 TYR 72 HE1 TYR 72 3.112 10.170 6.181 639 HH TYR 72 HH TYR 72 4.968 10.969 4.744 640 H ARG 73 H ARG 73 3.180 3.623 8.088 641 HA ARG 73 HA ARG 73 1.732 1.145 7.514 642 HB2 ARG 73 2HB ARG 73 3.917 1.046 8.666 643 HB3 ARG 73 3HB ARG 73 3.316 2.100 9.941 644 HG2 ARG 73 2HG ARG 73 1.684 0.332 10.599 645 HG3 ARG 73 3HG ARG 73 2.358 -0.723 9.353 646 HD2 ARG 73 2HD ARG 73 4.580 -0.572 10.485 647 HD3 ARG 73 3HD ARG 73 3.832 0.394 11.764 648 HE ARG 73 HE ARG 73 2.317 -1.866 11.712 649 HH11 ARG 73 1HH1 ARG 73 5.765 -1.280 12.091 650 HH12 ARG 73 2HH1 ARG 73 6.009 -2.696 13.062 651 HH21 ARG 73 1HH2 ARG 73 2.685 -3.739 12.953 652 HH22 ARG 73 2HH2 ARG 73 4.280 -4.079 13.546 653 H VAL 74 H VAL 74 -0.466 1.369 7.673 654 HA VAL 74 HA VAL 74 -1.574 2.746 10.063 655 HB VAL 74 HB VAL 74 -3.541 3.420 8.882 656 HG11 VAL 74 1HG1 VAL 74 -1.621 4.902 8.493 657 HG12 VAL 74 2HG1 VAL 74 -2.687 4.898 7.088 658 HG13 VAL 74 3HG1 VAL 74 -1.174 3.987 7.048 659 HG21 VAL 74 3HG2 VAL 74 -4.035 2.887 6.504 660 HG22 VAL 74 1HG2 VAL 74 -3.990 1.439 7.516 661 HG23 VAL 74 2HG2 VAL 74 -2.629 1.818 6.462 662 H THR 75 H THR 75 -2.842 1.611 11.340 663 HA THR 75 HA THR 75 -3.783 -1.100 10.597 664 HB THR 75 HB THR 75 -3.966 -1.449 13.116 665 HG1 THR 75 HG1 THR 75 -3.692 0.260 14.314 666 HG21 THR 75 3HG2 THR 75 -1.175 -0.808 12.084 667 HG22 THR 75 1HG2 THR 75 -2.014 -2.351 11.903 668 HG23 THR 75 2HG2 THR 75 -1.545 -1.784 13.508 669 H SER 76 H SER 76 -4.775 2.046 10.914 670 HA SER 76 HA SER 76 -7.584 1.348 11.516 671 HB2 SER 76 2HB SER 76 -6.064 3.819 12.496 672 HB3 SER 76 3HB SER 76 -7.775 3.479 12.780 673 HG SER 76 HG SER 76 -6.779 2.774 14.577 674 H ASN 77 H ASN 77 -9.092 2.479 10.282 675 HA ASN 77 HA ASN 77 -8.396 3.433 7.734 676 HB2 ASN 77 2HB ASN 77 -10.720 3.982 7.401 677 HB3 ASN 77 3HB ASN 77 -10.683 2.533 8.387 678 HD21 ASN 77 1HD2 ASN 77 -10.186 3.884 10.934 679 HD22 ASN 77 2HD2 ASN 77 -11.624 4.744 11.324 680 H ASP 78 H ASP 78 -8.744 5.055 10.789 681 HA ASP 78 HA ASP 78 -9.224 7.706 10.126 682 HB2 ASP 78 2HB ASP 78 -7.464 6.726 12.426 683 HB3 ASP 78 3HB ASP 78 -8.337 8.255 12.344 684 H GLU 79 H GLU 79 -6.116 6.062 10.655 685 HA GLU 79 HA GLU 79 -4.434 8.268 10.079 686 HB2 GLU 79 2HB GLU 79 -3.813 5.280 10.024 687 HB3 GLU 79 3HB GLU 79 -2.606 6.567 9.994 688 HG2 GLU 79 2HG GLU 79 -4.540 5.962 12.245 689 HG3 GLU 79 3HG GLU 79 -2.814 5.609 12.229 690 H LEU 80 H LEU 80 -5.664 5.576 8.147 691 HA LEU 80 HA LEU 80 -4.220 5.907 5.777 692 HB2 LEU 80 2HB LEU 80 -5.617 3.942 6.337 693 HB3 LEU 80 3HB LEU 80 -7.069 4.904 6.199 694 HG LEU 80 HG LEU 80 -6.452 3.262 4.266 695 HD11 LEU 80 1HD1 LEU 80 -7.199 6.078 3.512 696 HD12 LEU 80 2HD1 LEU 80 -8.301 4.815 4.062 697 HD13 LEU 80 3HD1 LEU 80 -7.446 4.627 2.534 698 HD21 LEU 80 3HD2 LEU 80 -4.631 5.544 3.448 699 HD22 LEU 80 1HD2 LEU 80 -4.993 4.097 2.500 700 HD23 LEU 80 2HD2 LEU 80 -4.089 3.959 4.007 701 H GLU 81 H GLU 81 -7.256 7.389 6.871 702 HA GLU 81 HA GLU 81 -7.917 8.907 4.602 703 HB2 GLU 81 2HB GLU 81 -8.538 9.394 7.547 704 HB3 GLU 81 3HB GLU 81 -9.288 10.281 6.220 705 HG2 GLU 81 2HG GLU 81 -10.354 8.281 5.384 706 HG3 GLU 81 3HG GLU 81 -9.459 7.271 6.515 707 H GLN 82 H GLN 82 -5.823 9.607 7.379 708 HA GLN 82 HA GLN 82 -5.361 12.364 6.790 709 HB2 GLN 82 2HB GLN 82 -3.585 10.494 8.425 710 HB3 GLN 82 3HB GLN 82 -3.542 12.255 8.444 711 HG2 GLN 82 2HG GLN 82 -5.686 10.432 9.546 712 HG3 GLN 82 3HG GLN 82 -4.654 11.546 10.432 713 HE21 GLN 82 1HE2 GLN 82 -7.541 11.189 8.565 714 HE22 GLN 82 2HE2 GLN 82 -8.142 12.796 8.773 715 H VAL 83 H VAL 83 -3.684 9.358 5.929 716 HA VAL 83 HA VAL 83 -1.375 10.571 4.768 717 HB VAL 83 HB VAL 83 -2.506 7.786 4.193 718 HG11 VAL 83 1HG1 VAL 83 0.295 8.912 3.755 719 HG12 VAL 83 2HG1 VAL 83 -0.866 8.487 2.495 720 HG13 VAL 83 3HG1 VAL 83 -0.177 7.228 3.517 721 HG21 VAL 83 3HG2 VAL 83 -2.076 8.098 6.612 722 HG22 VAL 83 1HG2 VAL 83 -0.425 8.613 6.265 723 HG23 VAL 83 2HG2 VAL 83 -0.929 6.958 5.912 724 H VAL 84 H VAL 84 -4.539 9.586 3.484 725 HA VAL 84 HA VAL 84 -3.981 10.176 0.742 726 HB VAL 84 HB VAL 84 -6.709 10.078 2.121 727 HG11 VAL 84 1HG1 VAL 84 -6.821 11.260 -0.042 728 HG12 VAL 84 2HG1 VAL 84 -7.619 9.692 -0.161 729 HG13 VAL 84 3HG1 VAL 84 -6.005 9.913 -0.842 730 HG21 VAL 84 3HG2 VAL 84 -6.865 7.758 1.275 731 HG22 VAL 84 1HG2 VAL 84 -5.479 7.937 2.350 732 HG23 VAL 84 2HG2 VAL 84 -5.236 7.878 0.606 733 H LYS 85 H LYS 85 -5.189 12.108 3.477 734 HA LYS 85 HA LYS 85 -5.763 14.502 2.058 735 HB2 LYS 85 2HB LYS 85 -4.810 14.129 4.935 736 HB3 LYS 85 3HB LYS 85 -5.370 15.660 4.266 737 HG2 LYS 85 2HG LYS 85 -7.593 14.559 3.814 738 HG3 LYS 85 3HG LYS 85 -7.005 13.147 4.680 739 HD2 LYS 85 2HD LYS 85 -8.271 14.328 6.290 740 HD3 LYS 85 3HD LYS 85 -6.601 14.735 6.680 741 HE2 LYS 85 2HE LYS 85 -8.462 16.501 5.041 742 HE3 LYS 85 3HE LYS 85 -8.190 16.683 6.769 743 HZ1 LYS 85 3HZ LYS 85 -6.115 16.962 4.670 744 HZ2 LYS 85 1HZ LYS 85 -5.881 17.177 6.322 745 HZ3 LYS 85 2HZ LYS 85 -6.880 18.232 5.470 746 H ASP 86 H ASP 86 -2.791 13.096 3.308 747 HA ASP 86 HA ASP 86 -1.146 15.410 3.158 748 HB2 ASP 86 2HB ASP 86 -0.657 13.508 4.667 749 HB3 ASP 86 3HB ASP 86 -0.365 12.461 3.282 750 H VAL 87 H VAL 87 -1.464 12.529 1.018 751 HA VAL 87 HA VAL 87 0.489 13.270 -0.880 752 HB VAL 87 HB VAL 87 -0.304 10.968 -0.843 753 HG11 VAL 87 1HG1 VAL 87 -2.551 10.295 -1.626 754 HG12 VAL 87 2HG1 VAL 87 -3.011 11.995 -1.768 755 HG13 VAL 87 3HG1 VAL 87 -2.640 11.312 -0.186 756 HG21 VAL 87 3HG2 VAL 87 -1.095 12.220 -3.506 757 HG22 VAL 87 1HG2 VAL 87 -0.619 10.540 -3.237 758 HG23 VAL 87 2HG2 VAL 87 0.552 11.837 -3.013 759 H LYS 88 H LYS 88 -2.993 13.967 -0.735 760 HA LYS 88 HA LYS 88 -3.109 15.312 -3.267 761 HB2 LYS 88 2HB LYS 88 -5.047 15.358 -0.914 762 HB3 LYS 88 3HB LYS 88 -5.370 16.072 -2.493 763 HG2 LYS 88 2HG LYS 88 -5.176 13.803 -3.519 764 HG3 LYS 88 3HG LYS 88 -4.961 13.116 -1.904 765 HD2 LYS 88 2HD LYS 88 -7.419 14.639 -2.882 766 HD3 LYS 88 3HD LYS 88 -7.300 12.887 -2.692 767 HE2 LYS 88 2HE LYS 88 -6.999 13.151 -0.265 768 HE3 LYS 88 3HE LYS 88 -7.038 14.906 -0.432 769 HZ1 LYS 88 3HZ LYS 88 -9.152 14.090 0.306 770 HZ2 LYS 88 1HZ LYS 88 -9.268 13.043 -1.014 771 HZ3 LYS 88 2HZ LYS 88 -9.319 14.712 -1.254 772 H GLY 89 H GLY 89 -1.358 16.772 -3.125 773 HA2 GLY 89 2HA GLY 89 -1.362 19.024 -1.285 774 HA3 GLY 89 3HA GLY 89 -0.334 18.806 -2.701 775 H SER 90 H SER 90 -3.723 19.305 -1.863 776 HA SER 90 HA SER 90 -4.330 21.386 -3.652 777 HB2 SER 90 2HB SER 90 -3.965 19.645 -5.398 778 HB3 SER 90 3HB SER 90 -5.122 18.583 -4.597 779 HG SER 90 HG SER 90 -5.639 21.105 -5.800 780 H GLY 91 H GLY 91 -6.651 21.890 -3.543 781 HA2 GLY 91 2HA GLY 91 -8.020 20.620 -1.216 782 HA3 GLY 91 3HA GLY 91 -8.016 22.348 -1.543 783 H LEU 92 H LEU 92 -8.415 19.833 -4.017 784 HA LEU 92 HA LEU 92 -11.041 20.942 -4.698 785 HB2 LEU 92 2HB LEU 92 -9.119 19.102 -6.137 786 HB3 LEU 92 3HB LEU 92 -10.806 19.126 -6.618 787 HG LEU 92 HG LEU 92 -9.593 20.595 -8.094 788 HD11 LEU 92 1HD1 LEU 92 -11.850 21.342 -7.466 789 HD12 LEU 92 2HD1 LEU 92 -10.794 22.700 -7.841 790 HD13 LEU 92 3HD1 LEU 92 -11.174 22.321 -6.158 791 HD21 LEU 92 3HD2 LEU 92 -8.313 22.555 -7.356 792 HD22 LEU 92 1HD2 LEU 92 -7.622 21.064 -6.719 793 HD23 LEU 92 2HD2 LEU 92 -8.578 22.110 -5.668 794 H GLU 93 H GLU 93 -12.911 20.006 -4.339 795 HA GLU 93 HA GLU 93 -13.144 17.204 -3.439 796 HB2 GLU 93 2HB GLU 93 -14.909 18.054 -1.777 797 HB3 GLU 93 3HB GLU 93 -13.240 18.408 -1.372 798 HG2 GLU 93 2HG GLU 93 -14.545 20.343 -0.829 799 HG3 GLU 93 3HG GLU 93 -13.564 20.745 -2.236 800 H HIS 94 H HIS 94 -15.920 17.043 -3.237 801 HA HIS 94 HA HIS 94 -17.225 18.659 -5.253 802 HB2 HIS 94 2HB HIS 94 -16.315 16.700 -6.593 803 HB3 HIS 94 3HB HIS 94 -17.332 15.625 -5.633 804 HD1 HIS 94 HD1 HIS 94 -19.965 15.919 -5.948 805 HD2 HIS 94 HD2 HIS 94 -17.627 18.056 -8.647 806 HE1 HIS 94 HE1 HIS 94 -21.534 16.679 -7.756 807 HE2 HIS 94 HE2 HIS 94 -20.088 17.925 -9.398 808 H HIS 95 H HIS 95 -18.391 19.424 -3.467 809 HA HIS 95 HA HIS 95 -20.554 17.607 -2.530 810 HB2 HIS 95 2HB HIS 95 -19.299 19.925 -0.993 811 HB3 HIS 95 3HB HIS 95 -20.729 19.040 -0.472 812 HD1 HIS 95 HD1 HIS 95 -20.362 16.604 0.402 813 HD2 HIS 95 HD2 HIS 95 -16.861 18.649 -0.500 814 HE1 HIS 95 HE1 HIS 95 -18.511 15.286 1.463 815 HE2 HIS 95 HE2 HIS 95 -16.412 16.557 0.925 816 H HIS 96 H HIS 96 -21.410 18.344 -4.652 817 HA HIS 96 HA HIS 96 -22.527 20.977 -4.901 818 HB2 HIS 96 2HB HIS 96 -22.048 19.571 -6.896 819 HB3 HIS 96 3HB HIS 96 -23.248 18.395 -6.372 820 HD1 HIS 96 HD1 HIS 96 -25.538 18.724 -7.343 821 HD2 HIS 96 HD2 HIS 96 -23.289 22.220 -7.490 822 HE1 HIS 96 HE1 HIS 96 -26.927 20.372 -8.635 823 HE2 HIS 96 HE2 HIS 96 -25.607 22.515 -8.569 824 H HIS 97 H HIS 97 -24.057 17.758 -4.416 825 HA HIS 97 HA HIS 97 -26.504 19.021 -3.434 826 HB2 HIS 97 2HB HIS 97 -26.730 17.174 -5.043 827 HB3 HIS 97 3HB HIS 97 -25.857 16.086 -3.964 828 HD1 HIS 97 HD1 HIS 97 -29.168 17.885 -4.287 829 HD2 HIS 97 HD2 HIS 97 -27.411 14.960 -1.924 830 HE1 HIS 97 HE1 HIS 97 -31.019 16.943 -2.880 831 HE2 HIS 97 HE2 HIS 97 -29.963 15.030 -1.646 832 H HIS 98 H HIS 98 -26.677 19.488 -1.364 833 HA HIS 98 HA HIS 98 -26.469 17.552 0.717 834 HB2 HIS 98 2HB HIS 98 -24.789 18.720 2.143 835 HB3 HIS 98 3HB HIS 98 -24.051 18.171 0.640 836 HD1 HIS 98 HD1 HIS 98 -24.827 21.245 2.589 837 HD2 HIS 98 HD2 HIS 98 -23.400 20.274 -1.194 838 HE1 HIS 98 HE1 HIS 98 -23.897 23.377 1.643 839 HE2 HIS 98 HE2 HIS 98 -22.891 22.713 -0.560 840 H HIS 99 H HIS 99 -27.387 18.366 2.691 841 HA HIS 99 HA HIS 99 -29.065 20.767 2.394 842 HB2 HIS 99 2HB HIS 99 -29.136 18.468 4.406 843 HB3 HIS 99 3HB HIS 99 -30.162 19.894 4.528 844 HD1 HIS 99 HD1 HIS 99 -32.430 19.440 3.681 845 HD2 HIS 99 HD2 HIS 99 -29.587 17.237 1.592 846 HE1 HIS 99 HE1 HIS 99 -33.717 18.089 2.006 847 HE2 HIS 99 HE2 HIS 99 -31.989 16.724 0.800 Start of MODEL 6 1 H1 MET 1 1H MET 1 -3.468 13.168 -9.927 2 H2 MET 1 2H MET 1 -3.916 12.564 -8.415 3 H3 MET 1 3H MET 1 -2.369 12.265 -9.017 4 HA MET 1 HA MET 1 -1.807 14.575 -8.914 5 HB2 MET 1 2HB MET 1 -4.601 14.900 -7.716 6 HB3 MET 1 3HB MET 1 -3.383 16.167 -7.763 7 HG2 MET 1 2HG MET 1 -3.445 16.083 -10.250 8 HG3 MET 1 3HG MET 1 -4.738 14.889 -10.151 9 HE1 MET 1 3HE MET 1 -7.155 15.453 -8.994 10 HE2 MET 1 1HE MET 1 -7.591 17.065 -8.422 11 HE3 MET 1 2HE MET 1 -6.380 16.122 -7.555 12 H GLY 2 H GLY 2 -0.233 13.801 -7.565 13 HA2 GLY 2 2HA GLY 2 0.810 13.401 -5.516 14 HA3 GLY 2 3HA GLY 2 -0.762 13.384 -4.718 15 H ARG 3 H ARG 3 1.456 11.522 -6.762 16 HA ARG 3 HA ARG 3 -0.212 9.269 -7.158 17 HB2 ARG 3 2HB ARG 3 1.707 9.817 -8.630 18 HB3 ARG 3 3HB ARG 3 2.828 9.481 -7.318 19 HG2 ARG 3 2HG ARG 3 2.748 7.646 -8.958 20 HG3 ARG 3 3HG ARG 3 2.222 7.106 -7.360 21 HD2 ARG 3 2HD ARG 3 0.825 6.208 -9.223 22 HD3 ARG 3 3HD ARG 3 -0.107 7.153 -8.057 23 HE ARG 3 HE ARG 3 0.738 8.835 -10.146 24 HH11 ARG 3 1HH1 ARG 3 -1.532 6.180 -9.687 25 HH12 ARG 3 2HH1 ARG 3 -2.585 6.726 -10.955 26 HH21 ARG 3 1HH2 ARG 3 -0.645 9.524 -11.779 27 HH22 ARG 3 2HH2 ARG 3 -2.087 8.625 -12.147 28 H LEU 4 H LEU 4 -0.956 8.056 -5.550 29 HA LEU 4 HA LEU 4 0.864 6.998 -3.474 30 HB2 LEU 4 2HB LEU 4 -0.726 8.854 -2.701 31 HB3 LEU 4 3HB LEU 4 -2.055 7.771 -3.069 32 HG LEU 4 HG LEU 4 -1.126 6.143 -1.363 33 HD11 LEU 4 1HD1 LEU 4 0.517 6.954 0.270 34 HD12 LEU 4 2HD1 LEU 4 0.751 8.423 -0.678 35 HD13 LEU 4 3HD1 LEU 4 1.202 6.854 -1.349 36 HD21 LEU 4 3HD2 LEU 4 -1.782 8.889 -0.258 37 HD22 LEU 4 1HD2 LEU 4 -1.940 7.345 0.586 38 HD23 LEU 4 2HD2 LEU 4 -2.967 7.695 -0.803 39 H VAL 5 H VAL 5 0.884 4.823 -3.440 40 HA VAL 5 HA VAL 5 -1.449 3.304 -4.479 41 HB VAL 5 HB VAL 5 1.497 2.491 -4.426 42 HG11 VAL 5 1HG1 VAL 5 0.809 0.306 -5.388 43 HG12 VAL 5 2HG1 VAL 5 -0.887 0.740 -5.161 44 HG13 VAL 5 3HG1 VAL 5 0.162 0.522 -3.759 45 HG21 VAL 5 3HG2 VAL 5 0.836 3.916 -6.324 46 HG22 VAL 5 1HG2 VAL 5 -0.474 2.802 -6.722 47 HG23 VAL 5 2HG2 VAL 5 1.204 2.280 -6.874 48 H VAL 6 H VAL 6 -2.646 2.479 -2.934 49 HA VAL 6 HA VAL 6 -1.575 2.065 -0.229 50 HB VAL 6 HB VAL 6 -4.471 2.036 -1.220 51 HG11 VAL 6 1HG1 VAL 6 -5.084 2.078 1.183 52 HG12 VAL 6 2HG1 VAL 6 -3.382 1.920 1.616 53 HG13 VAL 6 3HG1 VAL 6 -4.199 0.611 0.757 54 HG21 VAL 6 3HG2 VAL 6 -4.703 4.218 -0.074 55 HG22 VAL 6 1HG2 VAL 6 -3.493 4.297 -1.359 56 HG23 VAL 6 2HG2 VAL 6 -2.984 4.197 0.329 57 H VAL 7 H VAL 7 -0.538 0.149 -0.335 58 HA VAL 7 HA VAL 7 -1.647 -2.236 -1.530 59 HB VAL 7 HB VAL 7 0.789 -1.942 0.268 60 HG11 VAL 7 1HG1 VAL 7 0.066 -4.147 -1.684 61 HG12 VAL 7 2HG1 VAL 7 0.048 -4.264 0.078 62 HG13 VAL 7 3HG1 VAL 7 1.577 -4.036 -0.775 63 HG21 VAL 7 3HG2 VAL 7 2.160 -1.801 -1.759 64 HG22 VAL 7 1HG2 VAL 7 1.017 -0.458 -1.672 65 HG23 VAL 7 2HG2 VAL 7 0.703 -1.816 -2.761 66 H VAL 8 H VAL 8 -2.800 -3.736 -0.469 67 HA VAL 8 HA VAL 8 -3.116 -3.675 2.474 68 HB VAL 8 HB VAL 8 -5.508 -4.292 2.162 69 HG11 VAL 8 1HG1 VAL 8 -4.785 -1.704 0.721 70 HG12 VAL 8 2HG1 VAL 8 -4.994 -1.910 2.461 71 HG13 VAL 8 3HG1 VAL 8 -6.376 -2.102 1.383 72 HG21 VAL 8 3HG2 VAL 8 -5.356 -5.401 -0.029 73 HG22 VAL 8 1HG2 VAL 8 -5.017 -3.857 -0.814 74 HG23 VAL 8 2HG2 VAL 8 -6.589 -4.144 -0.063 75 H THR 9 H THR 9 -3.569 -5.799 3.397 76 HA THR 9 HA THR 9 -2.624 -8.065 1.748 77 HB THR 9 HB THR 9 -2.458 -9.267 3.966 78 HG1 THR 9 HG1 THR 9 -2.575 -6.881 5.384 79 HG21 THR 9 3HG2 THR 9 -0.460 -8.158 2.998 80 HG22 THR 9 1HG2 THR 9 -0.453 -8.082 4.759 81 HG23 THR 9 2HG2 THR 9 -0.899 -6.657 3.819 82 H SER 10 H SER 10 -5.543 -6.738 2.799 83 HA SER 10 HA SER 10 -6.995 -9.311 2.618 84 HB2 SER 10 2HB SER 10 -7.550 -7.062 4.611 85 HB3 SER 10 3HB SER 10 -8.476 -8.555 4.444 86 HG SER 10 HG SER 10 -6.129 -8.100 5.756 87 H GLU 11 H GLU 11 -8.896 -9.252 1.491 88 HA GLU 11 HA GLU 11 -9.445 -7.159 -0.343 89 HB2 GLU 11 2HB GLU 11 -11.134 -9.550 0.492 90 HB3 GLU 11 3HB GLU 11 -11.543 -8.475 -0.843 91 HG2 GLU 11 2HG GLU 11 -9.466 -9.120 -2.003 92 HG3 GLU 11 3HG GLU 11 -9.057 -10.204 -0.672 93 H GLN 12 H GLN 12 -10.712 -7.875 2.867 94 HA GLN 12 HA GLN 12 -12.907 -6.130 3.004 95 HB2 GLN 12 2HB GLN 12 -10.889 -6.882 5.166 96 HB3 GLN 12 3HB GLN 12 -12.388 -6.020 5.488 97 HG2 GLN 12 2HG GLN 12 -12.244 -8.805 4.291 98 HG3 GLN 12 3HG GLN 12 -12.468 -8.466 6.005 99 HE21 GLN 12 1HE2 GLN 12 -13.974 -8.418 2.866 100 HE22 GLN 12 2HE2 GLN 12 -15.583 -8.146 3.424 101 H LEU 13 H LEU 13 -9.452 -5.587 3.558 102 HA LEU 13 HA LEU 13 -9.614 -2.800 4.152 103 HB2 LEU 13 2HB LEU 13 -7.230 -4.447 3.219 104 HB3 LEU 13 3HB LEU 13 -7.144 -2.836 3.913 105 HG LEU 13 HG LEU 13 -8.060 -5.341 5.385 106 HD11 LEU 13 1HD1 LEU 13 -5.950 -5.141 6.636 107 HD12 LEU 13 2HD1 LEU 13 -5.458 -3.795 5.604 108 HD13 LEU 13 3HD1 LEU 13 -5.670 -5.408 4.916 109 HD21 LEU 13 3HD2 LEU 13 -7.646 -2.523 6.450 110 HD22 LEU 13 1HD2 LEU 13 -8.021 -3.953 7.417 111 HD23 LEU 13 2HD2 LEU 13 -9.196 -3.349 6.254 112 H LYS 14 H LYS 14 -9.191 -4.676 1.167 113 HA LYS 14 HA LYS 14 -8.290 -2.577 -0.508 114 HB2 LYS 14 2HB LYS 14 -8.080 -4.973 -1.127 115 HB3 LYS 14 3HB LYS 14 -9.829 -5.086 -1.311 116 HG2 LYS 14 2HG LYS 14 -9.755 -3.471 -3.175 117 HG3 LYS 14 3HG LYS 14 -8.010 -3.298 -2.967 118 HD2 LYS 14 2HD LYS 14 -7.695 -5.682 -3.589 119 HD3 LYS 14 3HD LYS 14 -9.443 -5.866 -3.779 120 HE2 LYS 14 2HE LYS 14 -9.417 -4.185 -5.597 121 HE3 LYS 14 3HE LYS 14 -7.672 -4.004 -5.407 122 HZ1 LYS 14 3HZ LYS 14 -8.297 -5.466 -7.256 123 HZ2 LYS 14 1HZ LYS 14 -9.033 -6.530 -6.173 124 HZ3 LYS 14 2HZ LYS 14 -7.369 -6.274 -6.096 125 H GLU 15 H GLU 15 -11.561 -3.948 -0.095 126 HA GLU 15 HA GLU 15 -12.887 -2.034 -1.739 127 HB2 GLU 15 2HB GLU 15 -14.952 -3.070 -0.989 128 HB3 GLU 15 3HB GLU 15 -13.758 -4.331 -1.274 129 HG2 GLU 15 2HG GLU 15 -13.313 -4.383 1.200 130 HG3 GLU 15 3HG GLU 15 -14.641 -3.245 1.418 131 H GLU 16 H GLU 16 -11.947 -2.062 1.629 132 HA GLU 16 HA GLU 16 -13.586 -0.023 2.678 133 HB2 GLU 16 2HB GLU 16 -12.125 -1.524 4.053 134 HB3 GLU 16 3HB GLU 16 -10.699 -0.760 3.373 135 HG2 GLU 16 2HG GLU 16 -10.924 0.189 5.520 136 HG3 GLU 16 3HG GLU 16 -11.534 1.428 4.424 137 H VAL 17 H VAL 17 -10.228 0.149 1.494 138 HA VAL 17 HA VAL 17 -10.025 2.963 1.606 139 HB VAL 17 HB VAL 17 -8.249 1.061 0.008 140 HG11 VAL 17 1HG1 VAL 17 -6.502 2.795 0.298 141 HG12 VAL 17 2HG1 VAL 17 -7.667 3.841 1.109 142 HG13 VAL 17 3HG1 VAL 17 -7.891 3.422 -0.590 143 HG21 VAL 17 3HG2 VAL 17 -8.392 0.325 2.359 144 HG22 VAL 17 1HG2 VAL 17 -7.949 1.940 2.908 145 HG23 VAL 17 2HG2 VAL 17 -6.787 0.964 2.002 146 H ARG 18 H ARG 18 -10.890 0.764 -1.089 147 HA ARG 18 HA ARG 18 -10.823 2.856 -3.064 148 HB2 ARG 18 2HB ARG 18 -12.123 0.109 -3.245 149 HB3 ARG 18 3HB ARG 18 -11.961 1.242 -4.584 150 HG2 ARG 18 2HG ARG 18 -9.387 1.110 -4.000 151 HG3 ARG 18 3HG ARG 18 -9.843 -0.400 -3.214 152 HD2 ARG 18 2HD ARG 18 -10.165 0.332 -6.141 153 HD3 ARG 18 3HD ARG 18 -9.086 -0.881 -5.458 154 HE ARG 18 HE ARG 18 -11.180 -2.092 -4.779 155 HH11 ARG 18 1HH1 ARG 18 -11.222 0.060 -7.570 156 HH12 ARG 18 2HH1 ARG 18 -12.528 -0.776 -8.348 157 HH21 ARG 18 1HH2 ARG 18 -12.892 -3.172 -5.809 158 HH22 ARG 18 2HH2 ARG 18 -13.471 -2.611 -7.344 159 H LYS 19 H LYS 19 -13.313 1.654 -0.869 160 HA LYS 19 HA LYS 19 -15.557 2.840 -2.210 161 HB2 LYS 19 2HB LYS 19 -15.712 1.014 -0.473 162 HB3 LYS 19 3HB LYS 19 -15.303 2.202 0.758 163 HG2 LYS 19 2HG LYS 19 -17.368 3.465 0.193 164 HG3 LYS 19 3HG LYS 19 -17.771 2.251 -1.020 165 HD2 LYS 19 2HD LYS 19 -17.499 1.700 1.964 166 HD3 LYS 19 3HD LYS 19 -19.026 1.987 1.133 167 HE2 LYS 19 2HE LYS 19 -18.819 -0.381 1.403 168 HE3 LYS 19 3HE LYS 19 -18.521 -0.045 -0.299 169 HZ1 LYS 19 3HZ LYS 19 -16.353 -0.424 1.692 170 HZ2 LYS 19 1HZ LYS 19 -16.203 -0.390 0.009 171 HZ3 LYS 19 2HZ LYS 19 -16.991 -1.680 0.766 172 H LYS 20 H LYS 20 -13.454 3.828 0.474 173 HA LYS 20 HA LYS 20 -14.510 6.456 0.810 174 HB2 LYS 20 2HB LYS 20 -11.875 5.157 1.581 175 HB3 LYS 20 3HB LYS 20 -12.208 6.848 1.943 176 HG2 LYS 20 2HG LYS 20 -14.091 6.226 3.354 177 HG3 LYS 20 3HG LYS 20 -13.898 4.523 2.921 178 HD2 LYS 20 2HD LYS 20 -11.775 4.391 4.064 179 HD3 LYS 20 3HD LYS 20 -11.728 6.140 4.317 180 HE2 LYS 20 2HE LYS 20 -12.341 4.863 6.370 181 HE3 LYS 20 3HE LYS 20 -13.587 6.009 5.880 182 HZ1 LYS 20 3HZ LYS 20 -13.645 3.110 5.254 183 HZ2 LYS 20 1HZ LYS 20 -14.875 4.228 4.965 184 HZ3 LYS 20 2HZ LYS 20 -14.461 3.819 6.554 185 H PHE 21 H PHE 21 -11.763 5.157 -1.053 186 HA PHE 21 HA PHE 21 -11.409 7.728 -2.466 187 HB2 PHE 21 2HB PHE 21 -9.013 6.122 -1.480 188 HB3 PHE 21 3HB PHE 21 -9.024 7.748 -2.146 189 HD1 PHE 21 HD1 PHE 21 -10.221 9.608 -0.709 190 HD2 PHE 21 HD2 PHE 21 -9.003 5.809 0.848 191 HE1 PHE 21 HE1 PHE 21 -10.264 10.514 1.584 192 HE2 PHE 21 HE2 PHE 21 -9.059 6.736 3.120 193 HZ PHE 21 HZ PHE 21 -9.674 9.061 3.497 194 HA PRO 22 HA PRO 22 -11.217 4.433 -5.784 195 HB2 PRO 22 2HB PRO 22 -12.603 6.035 -7.597 196 HB3 PRO 22 3HB PRO 22 -13.379 4.837 -6.541 197 HG2 PRO 22 2HG PRO 22 -13.132 7.809 -6.147 198 HG3 PRO 22 3HG PRO 22 -14.541 6.750 -5.894 199 HD2 PRO 22 2HD PRO 22 -13.035 7.574 -3.817 200 HD3 PRO 22 3HD PRO 22 -13.741 5.944 -3.848 201 H GLN 23 H GLN 23 -10.313 7.670 -5.132 202 HA GLN 23 HA GLN 23 -9.003 8.428 -7.538 203 HB2 GLN 23 2HB GLN 23 -8.080 10.288 -6.203 204 HB3 GLN 23 3HB GLN 23 -9.798 10.070 -5.882 205 HG2 GLN 23 2HG GLN 23 -9.258 8.888 -3.774 206 HG3 GLN 23 3HG GLN 23 -7.539 9.112 -4.091 207 HE21 GLN 23 1HE2 GLN 23 -10.477 10.639 -3.050 208 HE22 GLN 23 2HE2 GLN 23 -9.756 12.104 -2.493 209 H VAL 24 H VAL 24 -7.944 6.476 -4.802 210 HA VAL 24 HA VAL 24 -5.092 6.699 -5.592 211 HB VAL 24 HB VAL 24 -4.534 5.618 -3.434 212 HG11 VAL 24 1HG1 VAL 24 -4.663 8.062 -3.510 213 HG12 VAL 24 2HG1 VAL 24 -5.157 7.468 -1.925 214 HG13 VAL 24 3HG1 VAL 24 -6.376 8.012 -3.084 215 HG21 VAL 24 3HG2 VAL 24 -6.263 5.242 -1.690 216 HG22 VAL 24 1HG2 VAL 24 -6.507 4.207 -3.100 217 HG23 VAL 24 2HG2 VAL 24 -7.525 5.628 -2.865 218 H GLU 25 H GLU 25 -3.831 4.836 -5.989 219 HA GLU 25 HA GLU 25 -5.244 2.598 -7.206 220 HB2 GLU 25 2HB GLU 25 -2.248 3.121 -6.940 221 HB3 GLU 25 3HB GLU 25 -2.975 1.836 -7.899 222 HG2 GLU 25 2HG GLU 25 -4.068 3.589 -9.319 223 HG3 GLU 25 3HG GLU 25 -3.197 4.818 -8.399 224 H VAL 26 H VAL 26 -5.996 1.084 -5.776 225 HA VAL 26 HA VAL 26 -4.386 0.358 -3.406 226 HB VAL 26 HB VAL 26 -7.300 -0.311 -4.037 227 HG11 VAL 26 1HG1 VAL 26 -6.280 -2.028 -2.587 228 HG12 VAL 26 2HG1 VAL 26 -7.456 -1.067 -1.686 229 HG13 VAL 26 3HG1 VAL 26 -5.727 -0.774 -1.474 230 HG21 VAL 26 3HG2 VAL 26 -6.138 1.733 -2.108 231 HG22 VAL 26 1HG2 VAL 26 -7.853 1.359 -2.299 232 HG23 VAL 26 2HG2 VAL 26 -6.957 2.101 -3.628 233 H ARG 27 H ARG 27 -3.562 -1.695 -3.137 234 HA ARG 27 HA ARG 27 -3.703 -3.558 -5.441 235 HB2 ARG 27 2HB ARG 27 -1.811 -1.836 -5.622 236 HB3 ARG 27 3HB ARG 27 -1.112 -2.535 -4.168 237 HG2 ARG 27 2HG ARG 27 0.024 -3.366 -6.150 238 HG3 ARG 27 3HG ARG 27 -0.833 -4.688 -5.350 239 HD2 ARG 27 2HD ARG 27 -1.069 -4.792 -7.796 240 HD3 ARG 27 3HD ARG 27 -2.631 -4.556 -7.012 241 HE ARG 27 HE ARG 27 -2.157 -2.058 -7.590 242 HH11 ARG 27 1HH1 ARG 27 -1.388 -4.820 -9.646 243 HH12 ARG 27 2HH1 ARG 27 -1.528 -3.911 -11.117 244 HH21 ARG 27 1HH2 ARG 27 -2.308 -0.881 -9.516 245 HH22 ARG 27 2HH2 ARG 27 -2.055 -1.675 -11.040 246 H LEU 28 H LEU 28 -3.671 -5.698 -4.804 247 HA LEU 28 HA LEU 28 -3.820 -6.204 -1.903 248 HB2 LEU 28 2HB LEU 28 -5.797 -6.686 -3.303 249 HB3 LEU 28 3HB LEU 28 -4.850 -7.778 -4.297 250 HG LEU 28 HG LEU 28 -4.580 -9.300 -2.312 251 HD11 LEU 28 1HD1 LEU 28 -6.510 -7.416 -0.933 252 HD12 LEU 28 2HD1 LEU 28 -4.814 -7.674 -0.510 253 HD13 LEU 28 3HD1 LEU 28 -5.975 -8.985 -0.326 254 HD21 LEU 28 3HD2 LEU 28 -6.350 -9.718 -3.959 255 HD22 LEU 28 1HD2 LEU 28 -7.461 -8.689 -3.050 256 HD23 LEU 28 2HD2 LEU 28 -6.863 -10.194 -2.343 257 H VAL 29 H VAL 29 -2.575 -7.694 -0.858 258 HA VAL 29 HA VAL 29 -0.752 -9.492 -2.351 259 HB VAL 29 HB VAL 29 -0.148 -8.108 0.314 260 HG11 VAL 29 1HG1 VAL 29 2.082 -9.178 0.193 261 HG12 VAL 29 2HG1 VAL 29 1.593 -10.052 -1.262 262 HG13 VAL 29 3HG1 VAL 29 0.795 -10.383 0.277 263 HG21 VAL 29 3HG2 VAL 29 0.114 -6.555 -1.568 264 HG22 VAL 29 1HG2 VAL 29 1.181 -7.699 -2.387 265 HG23 VAL 29 2HG2 VAL 29 1.682 -6.956 -0.865 266 H THR 30 H THR 30 -1.760 -11.421 -2.145 267 HA THR 30 HA THR 30 -2.707 -12.310 0.522 268 HB THR 30 HB THR 30 -3.967 -14.094 -0.776 269 HG1 THR 30 HG1 THR 30 -2.597 -13.766 -2.747 270 HG21 THR 30 3HG2 THR 30 -5.760 -12.585 -1.573 271 HG22 THR 30 1HG2 THR 30 -4.655 -11.212 -1.474 272 HG23 THR 30 2HG2 THR 30 -5.139 -12.066 -0.006 273 H THR 31 H THR 31 -0.497 -12.999 -2.104 274 HA THR 31 HA THR 31 0.710 -15.240 -0.577 275 HB THR 31 HB THR 31 1.425 -16.238 -2.736 276 HG1 THR 31 HG1 THR 31 -0.276 -14.535 -4.188 277 HG21 THR 31 3HG2 THR 31 -0.760 -17.034 -3.580 278 HG22 THR 31 1HG2 THR 31 -1.583 -15.734 -2.714 279 HG23 THR 31 2HG2 THR 31 -0.755 -17.009 -1.816 280 H GLU 32 H GLU 32 3.056 -15.566 -1.386 281 HA GLU 32 HA GLU 32 4.580 -13.212 -0.869 282 HB2 GLU 32 2HB GLU 32 5.376 -15.338 -0.064 283 HB3 GLU 32 3HB GLU 32 5.317 -16.058 -1.664 284 HG2 GLU 32 2HG GLU 32 7.630 -15.595 -0.830 285 HG3 GLU 32 3HG GLU 32 7.255 -14.846 -2.377 286 H GLU 33 H GLU 33 3.801 -15.024 -3.828 287 HA GLU 33 HA GLU 33 5.545 -13.589 -5.568 288 HB2 GLU 33 2HB GLU 33 4.264 -14.638 -7.411 289 HB3 GLU 33 3HB GLU 33 4.760 -15.794 -6.182 290 HG2 GLU 33 2HG GLU 33 2.398 -15.575 -5.212 291 HG3 GLU 33 3HG GLU 33 1.978 -14.705 -6.685 292 H ASP 34 H ASP 34 2.275 -12.966 -4.391 293 HA ASP 34 HA ASP 34 1.569 -10.822 -6.077 294 HB2 ASP 34 2HB ASP 34 0.855 -11.440 -3.198 295 HB3 ASP 34 3HB ASP 34 0.327 -9.931 -3.932 296 H ALA 35 H ALA 35 3.388 -10.861 -3.015 297 HA ALA 35 HA ALA 35 3.802 -8.120 -2.679 298 HB1 ALA 35 3HB ALA 35 5.640 -10.385 -1.837 299 HB2 ALA 35 1HB ALA 35 4.254 -9.787 -0.925 300 HB3 ALA 35 2HB ALA 35 5.652 -8.741 -1.186 301 H LYS 36 H LYS 36 5.816 -10.515 -4.416 302 HA LYS 36 HA LYS 36 7.901 -8.901 -5.323 303 HB2 LYS 36 2HB LYS 36 6.553 -11.251 -6.722 304 HB3 LYS 36 3HB LYS 36 8.103 -10.561 -7.207 305 HG2 LYS 36 2HG LYS 36 9.056 -11.173 -5.010 306 HG3 LYS 36 3HG LYS 36 7.507 -11.885 -4.543 307 HD2 LYS 36 2HD LYS 36 7.699 -13.616 -6.192 308 HD3 LYS 36 3HD LYS 36 9.050 -12.804 -6.993 309 HE2 LYS 36 2HE LYS 36 9.781 -14.752 -5.637 310 HE3 LYS 36 3HE LYS 36 10.497 -13.240 -5.077 311 HZ1 LYS 36 3HZ LYS 36 8.831 -13.153 -3.323 312 HZ2 LYS 36 1HZ LYS 36 9.735 -14.577 -3.236 313 HZ3 LYS 36 2HZ LYS 36 8.164 -14.610 -3.855 314 H GLN 37 H GLN 37 4.797 -9.640 -6.920 315 HA GLN 37 HA GLN 37 5.097 -8.115 -9.255 316 HB2 GLN 37 2HB GLN 37 2.574 -8.901 -7.738 317 HB3 GLN 37 3HB GLN 37 2.552 -8.161 -9.338 318 HG2 GLN 37 2HG GLN 37 3.652 -10.063 -10.318 319 HG3 GLN 37 3HG GLN 37 3.958 -10.775 -8.738 320 HE21 GLN 37 1HE2 GLN 37 1.344 -10.289 -7.637 321 HE22 GLN 37 2HE2 GLN 37 0.236 -11.328 -8.453 322 H VAL 38 H VAL 38 3.768 -7.211 -6.084 323 HA VAL 38 HA VAL 38 2.814 -4.652 -6.777 324 HB VAL 38 HB VAL 38 3.608 -5.743 -4.031 325 HG11 VAL 38 1HG1 VAL 38 1.955 -3.277 -4.697 326 HG12 VAL 38 2HG1 VAL 38 3.572 -3.276 -3.988 327 HG13 VAL 38 3HG1 VAL 38 2.210 -3.935 -3.079 328 HG21 VAL 38 3HG2 VAL 38 1.811 -7.048 -5.080 329 HG22 VAL 38 1HG2 VAL 38 0.897 -5.579 -5.404 330 HG23 VAL 38 2HG2 VAL 38 1.156 -6.106 -3.744 331 H ILE 39 H ILE 39 5.972 -5.709 -5.458 332 HA ILE 39 HA ILE 39 7.143 -3.176 -5.019 333 HB ILE 39 HB ILE 39 8.480 -5.818 -5.795 334 HG12 ILE 39 2HG1 ILE 39 8.192 -4.511 -3.046 335 HG13 ILE 39 3HG1 ILE 39 7.193 -5.832 -3.635 336 HG21 ILE 39 1HG2 ILE 39 10.596 -4.866 -4.923 337 HG22 ILE 39 2HG2 ILE 39 9.798 -3.311 -4.682 338 HG23 ILE 39 3HG2 ILE 39 10.001 -3.951 -6.313 339 HD11 ILE 39 3HD1 ILE 39 9.179 -7.269 -3.759 340 HD12 ILE 39 1HD1 ILE 39 8.884 -6.654 -2.134 341 HD13 ILE 39 2HD1 ILE 39 10.162 -5.947 -3.120 342 H LYS 40 H LYS 40 7.096 -5.257 -7.908 343 HA LYS 40 HA LYS 40 8.649 -3.510 -9.586 344 HB2 LYS 40 2HB LYS 40 6.863 -5.873 -10.294 345 HB3 LYS 40 3HB LYS 40 7.973 -5.080 -11.414 346 HG2 LYS 40 2HG LYS 40 9.893 -5.770 -10.056 347 HG3 LYS 40 3HG LYS 40 8.819 -6.486 -8.852 348 HD2 LYS 40 2HD LYS 40 9.090 -7.412 -11.747 349 HD3 LYS 40 3HD LYS 40 9.833 -8.196 -10.351 350 HE2 LYS 40 2HE LYS 40 7.560 -8.643 -9.425 351 HE3 LYS 40 3HE LYS 40 6.848 -7.917 -10.868 352 HZ1 LYS 40 3HZ LYS 40 6.883 -10.293 -11.095 353 HZ2 LYS 40 1HZ LYS 40 8.544 -10.358 -10.770 354 HZ3 LYS 40 2HZ LYS 40 7.990 -9.638 -12.190 355 H GLU 41 H GLU 41 5.264 -3.765 -8.783 356 HA GLU 41 HA GLU 41 4.184 -2.394 -11.071 357 HB2 GLU 41 2HB GLU 41 2.916 -3.997 -9.505 358 HB3 GLU 41 3HB GLU 41 2.884 -2.694 -8.325 359 HG2 GLU 41 2HG GLU 41 0.778 -2.663 -9.430 360 HG3 GLU 41 3HG GLU 41 1.680 -1.278 -10.045 361 H ILE 42 H ILE 42 5.001 -1.534 -7.737 362 HA ILE 42 HA ILE 42 4.469 1.191 -7.653 363 HB ILE 42 HB ILE 42 6.698 -0.428 -6.326 364 HG12 ILE 42 2HG1 ILE 42 4.142 0.652 -5.047 365 HG13 ILE 42 3HG1 ILE 42 4.248 -0.956 -5.750 366 HG21 ILE 42 1HG2 ILE 42 6.990 1.447 -4.731 367 HG22 ILE 42 2HG2 ILE 42 5.869 2.419 -5.685 368 HG23 ILE 42 3HG2 ILE 42 7.408 1.915 -6.385 369 HD11 ILE 42 3HD1 ILE 42 4.499 -1.046 -3.353 370 HD12 ILE 42 1HD1 ILE 42 5.870 0.062 -3.417 371 HD13 ILE 42 2HD1 ILE 42 5.996 -1.547 -4.137 372 H GLN 43 H GLN 43 7.332 -0.557 -8.825 373 HA GLN 43 HA GLN 43 8.850 1.752 -9.583 374 HB2 GLN 43 2HB GLN 43 9.147 -1.171 -10.395 375 HB3 GLN 43 3HB GLN 43 10.344 0.086 -10.708 376 HG2 GLN 43 2HG GLN 43 10.741 0.381 -8.324 377 HG3 GLN 43 3HG GLN 43 9.427 -0.730 -7.933 378 HE21 GLN 43 1HE2 GLN 43 10.795 -2.097 -6.759 379 HE22 GLN 43 2HE2 GLN 43 11.964 -3.114 -7.520 380 H LYS 44 H LYS 44 6.423 -0.195 -11.191 381 HA LYS 44 HA LYS 44 6.922 0.626 -13.874 382 HB2 LYS 44 2HB LYS 44 5.609 -1.411 -13.324 383 HB3 LYS 44 3HB LYS 44 4.357 -0.418 -12.600 384 HG2 LYS 44 2HG LYS 44 3.442 -0.970 -14.673 385 HG3 LYS 44 3HG LYS 44 4.087 0.640 -14.967 386 HD2 LYS 44 2HD LYS 44 5.512 -1.946 -15.733 387 HD3 LYS 44 3HD LYS 44 4.472 -1.037 -16.822 388 HE2 LYS 44 2HE LYS 44 7.082 -0.059 -15.611 389 HE3 LYS 44 3HE LYS 44 6.822 -0.552 -17.283 390 HZ1 LYS 44 3HZ LYS 44 6.804 1.838 -17.064 391 HZ2 LYS 44 1HZ LYS 44 5.536 1.772 -15.949 392 HZ3 LYS 44 2HZ LYS 44 5.283 1.293 -17.549 393 H LYS 45 H LYS 45 4.720 1.850 -11.331 394 HA LYS 45 HA LYS 45 3.778 4.074 -12.989 395 HB2 LYS 45 2HB LYS 45 3.279 3.819 -10.007 396 HB3 LYS 45 3HB LYS 45 2.290 4.635 -11.209 397 HG2 LYS 45 2HG LYS 45 2.623 1.657 -10.809 398 HG3 LYS 45 3HG LYS 45 1.183 2.621 -10.462 399 HD2 LYS 45 2HD LYS 45 0.828 3.034 -12.836 400 HD3 LYS 45 3HD LYS 45 2.368 2.263 -13.240 401 HE2 LYS 45 2HE LYS 45 0.504 0.753 -13.688 402 HE3 LYS 45 3HE LYS 45 1.538 0.126 -12.404 403 HZ1 LYS 45 3HZ LYS 45 -1.023 1.573 -11.951 404 HZ2 LYS 45 1HZ LYS 45 -0.060 0.829 -10.777 405 HZ3 LYS 45 2HZ LYS 45 -0.851 -0.109 -11.936 406 H GLY 46 H GLY 46 6.323 3.418 -10.818 407 HA2 GLY 46 2HA GLY 46 8.098 4.682 -10.048 408 HA3 GLY 46 3HA GLY 46 7.540 6.012 -11.052 409 H VAL 47 H VAL 47 6.116 4.264 -8.301 410 HA VAL 47 HA VAL 47 4.866 6.666 -7.281 411 HB VAL 47 HB VAL 47 4.918 3.947 -5.892 412 HG11 VAL 47 1HG1 VAL 47 2.856 6.184 -5.853 413 HG12 VAL 47 2HG1 VAL 47 4.000 5.797 -4.564 414 HG13 VAL 47 3HG1 VAL 47 2.730 4.647 -4.988 415 HG21 VAL 47 3HG2 VAL 47 2.921 3.289 -7.112 416 HG22 VAL 47 1HG2 VAL 47 4.248 3.575 -8.236 417 HG23 VAL 47 2HG2 VAL 47 2.964 4.776 -8.060 418 H GLN 48 H GLN 48 5.720 7.933 -5.721 419 HA GLN 48 HA GLN 48 8.283 7.239 -4.504 420 HB2 GLN 48 2HB GLN 48 6.644 9.808 -4.377 421 HB3 GLN 48 3HB GLN 48 8.250 9.607 -3.685 422 HG2 GLN 48 2HG GLN 48 7.505 9.526 -6.624 423 HG3 GLN 48 3HG GLN 48 8.447 10.764 -5.800 424 HE21 GLN 48 1HE2 GLN 48 8.504 7.563 -7.175 425 HE22 GLN 48 2HE2 GLN 48 10.212 7.328 -7.083 426 H LYS 49 H LYS 49 4.934 7.798 -3.466 427 HA LYS 49 HA LYS 49 5.646 6.984 -0.695 428 HB2 LYS 49 2HB LYS 49 3.207 8.597 -1.569 429 HB3 LYS 49 3HB LYS 49 3.774 8.316 0.079 430 HG2 LYS 49 2HG LYS 49 5.771 9.680 -0.353 431 HG3 LYS 49 3HG LYS 49 5.263 9.905 -2.033 432 HD2 LYS 49 2HD LYS 49 3.157 11.019 -1.142 433 HD3 LYS 49 3HD LYS 49 3.889 10.960 0.467 434 HE2 LYS 49 2HE LYS 49 5.014 12.393 -1.954 435 HE3 LYS 49 3HE LYS 49 4.217 13.154 -0.584 436 HZ1 LYS 49 3HZ LYS 49 6.734 11.599 -0.392 437 HZ2 LYS 49 1HZ LYS 49 5.993 12.476 0.844 438 HZ3 LYS 49 2HZ LYS 49 6.654 13.280 -0.485 439 H VAL 50 H VAL 50 4.924 5.019 -0.141 440 HA VAL 50 HA VAL 50 2.486 3.896 -1.411 441 HB VAL 50 HB VAL 50 5.051 2.415 -0.633 442 HG11 VAL 50 1HG1 VAL 50 3.104 1.004 -0.118 443 HG12 VAL 50 2HG1 VAL 50 3.967 0.372 -1.520 444 HG13 VAL 50 3HG1 VAL 50 2.460 1.265 -1.742 445 HG21 VAL 50 3HG2 VAL 50 5.243 3.656 -2.751 446 HG22 VAL 50 1HG2 VAL 50 3.781 2.873 -3.362 447 HG23 VAL 50 2HG2 VAL 50 5.232 1.917 -3.048 448 H VAL 51 H VAL 51 0.939 3.343 -0.021 449 HA VAL 51 HA VAL 51 1.387 3.380 2.879 450 HB VAL 51 HB VAL 51 -1.196 3.164 1.252 451 HG11 VAL 51 1HG1 VAL 51 -0.858 3.588 4.240 452 HG12 VAL 51 2HG1 VAL 51 -1.473 2.128 3.461 453 HG13 VAL 51 3HG1 VAL 51 -2.387 3.634 3.358 454 HG21 VAL 51 3HG2 VAL 51 -1.603 5.496 1.891 455 HG22 VAL 51 1HG2 VAL 51 -0.100 5.345 0.978 456 HG23 VAL 51 2HG2 VAL 51 -0.051 5.552 2.731 457 H LEU 52 H LEU 52 1.611 1.466 3.987 458 HA LEU 52 HA LEU 52 0.695 -1.063 2.734 459 HB2 LEU 52 2HB LEU 52 2.867 -0.543 4.810 460 HB3 LEU 52 3HB LEU 52 2.370 -2.139 4.279 461 HG LEU 52 HG LEU 52 3.685 -0.028 2.512 462 HD11 LEU 52 1HD1 LEU 52 4.846 -2.629 3.572 463 HD12 LEU 52 2HD1 LEU 52 5.249 -1.011 4.151 464 HD13 LEU 52 3HD1 LEU 52 5.647 -1.474 2.500 465 HD21 LEU 52 3HD2 LEU 52 3.856 -1.794 0.817 466 HD22 LEU 52 1HD2 LEU 52 2.187 -1.380 1.196 467 HD23 LEU 52 2HD2 LEU 52 2.889 -2.866 1.838 468 H VAL 53 H VAL 53 -1.416 -1.113 3.474 469 HA VAL 53 HA VAL 53 -2.140 -0.581 6.226 470 HB VAL 53 HB VAL 53 -3.889 -1.654 3.962 471 HG11 VAL 53 1HG1 VAL 53 -4.705 -0.410 6.620 472 HG12 VAL 53 2HG1 VAL 53 -4.864 -2.112 6.182 473 HG13 VAL 53 3HG1 VAL 53 -5.808 -0.891 5.327 474 HG21 VAL 53 3HG2 VAL 53 -3.547 1.213 4.900 475 HG22 VAL 53 1HG2 VAL 53 -4.698 0.657 3.683 476 HG23 VAL 53 2HG2 VAL 53 -2.963 0.545 3.376 477 H GLY 54 H GLY 54 -1.620 -2.066 7.689 478 HA2 GLY 54 2HA GLY 54 -1.745 -3.954 8.950 479 HA3 GLY 54 3HA GLY 54 -3.052 -4.468 7.897 480 H VAL 55 H VAL 55 0.439 -3.952 7.321 481 HA VAL 55 HA VAL 55 0.632 -6.669 6.148 482 HB VAL 55 HB VAL 55 2.648 -5.957 4.990 483 HG11 VAL 55 1HG1 VAL 55 0.492 -3.834 4.651 484 HG12 VAL 55 2HG1 VAL 55 0.537 -5.413 3.865 485 HG13 VAL 55 3HG1 VAL 55 1.767 -4.209 3.483 486 HG21 VAL 55 3HG2 VAL 55 3.579 -3.663 5.143 487 HG22 VAL 55 1HG2 VAL 55 3.664 -4.516 6.687 488 HG23 VAL 55 2HG2 VAL 55 2.427 -3.285 6.427 489 H SER 56 H SER 56 2.500 -7.948 6.631 490 HA SER 56 HA SER 56 3.401 -7.940 9.339 491 HB2 SER 56 2HB SER 56 3.228 -10.038 8.038 492 HB3 SER 56 3HB SER 56 4.457 -9.461 6.911 493 HG SER 56 HG SER 56 4.730 -10.272 9.603 494 H GLU 57 H GLU 57 5.653 -7.710 10.015 495 HA GLU 57 HA GLU 57 6.945 -5.360 9.080 496 HB2 GLU 57 2HB GLU 57 8.745 -5.948 10.682 497 HB3 GLU 57 3HB GLU 57 7.146 -6.078 11.405 498 HG2 GLU 57 2HG GLU 57 7.230 -8.550 11.085 499 HG3 GLU 57 3HG GLU 57 8.868 -8.387 10.450 500 H LYS 58 H LYS 58 7.272 -8.745 8.205 501 HA LYS 58 HA LYS 58 9.772 -8.579 6.846 502 HB2 LYS 58 2HB LYS 58 9.236 -10.736 5.865 503 HB3 LYS 58 3HB LYS 58 8.746 -10.745 7.556 504 HG2 LYS 58 2HG LYS 58 6.390 -10.436 6.897 505 HG3 LYS 58 3HG LYS 58 6.865 -10.349 5.201 506 HD2 LYS 58 2HD LYS 58 5.995 -12.557 5.626 507 HD3 LYS 58 3HD LYS 58 7.735 -12.696 5.370 508 HE2 LYS 58 2HE LYS 58 7.075 -14.128 7.212 509 HE3 LYS 58 3HE LYS 58 8.034 -12.798 7.861 510 HZ1 LYS 58 3HZ LYS 58 5.063 -12.931 7.875 511 HZ2 LYS 58 1HZ LYS 58 6.009 -11.706 8.554 512 HZ3 LYS 58 2HZ LYS 58 6.063 -13.265 9.198 513 H LEU 59 H LEU 59 6.420 -7.980 5.868 514 HA LEU 59 HA LEU 59 7.010 -7.572 3.067 515 HB2 LEU 59 2HB LEU 59 4.503 -6.961 4.688 516 HB3 LEU 59 3HB LEU 59 4.632 -6.733 2.950 517 HG LEU 59 HG LEU 59 4.745 -9.398 4.422 518 HD11 LEU 59 1HD1 LEU 59 2.625 -9.863 3.276 519 HD12 LEU 59 2HD1 LEU 59 2.651 -8.260 2.536 520 HD13 LEU 59 3HD1 LEU 59 2.491 -8.424 4.287 521 HD21 LEU 59 3HD2 LEU 59 4.834 -10.453 2.200 522 HD22 LEU 59 1HD2 LEU 59 6.255 -9.450 2.484 523 HD23 LEU 59 2HD2 LEU 59 4.962 -8.867 1.434 524 H LEU 60 H LEU 60 6.631 -5.570 5.968 525 HA LEU 60 HA LEU 60 6.521 -3.051 4.717 526 HB2 LEU 60 2HB LEU 60 6.000 -3.456 7.127 527 HB3 LEU 60 3HB LEU 60 7.710 -3.687 7.447 528 HG LEU 60 HG LEU 60 6.667 -1.049 6.317 529 HD11 LEU 60 1HD1 LEU 60 5.415 -1.456 8.367 530 HD12 LEU 60 2HD1 LEU 60 6.548 -0.125 8.569 531 HD13 LEU 60 3HD1 LEU 60 6.914 -1.711 9.258 532 HD21 LEU 60 3HD2 LEU 60 8.668 -0.045 7.364 533 HD22 LEU 60 1HD2 LEU 60 9.105 -1.299 6.204 534 HD23 LEU 60 2HD2 LEU 60 9.172 -1.640 7.931 535 H GLN 61 H GLN 61 9.319 -4.709 6.208 536 HA GLN 61 HA GLN 61 11.233 -2.800 5.419 537 HB2 GLN 61 2HB GLN 61 11.593 -5.717 6.219 538 HB3 GLN 61 3HB GLN 61 12.906 -4.551 6.093 539 HG2 GLN 61 2HG GLN 61 10.552 -4.227 7.983 540 HG3 GLN 61 3HG GLN 61 12.065 -4.996 8.435 541 HE21 GLN 61 1HE2 GLN 61 12.486 -3.456 10.053 542 HE22 GLN 61 2HE2 GLN 61 12.951 -1.832 9.694 543 H LYS 62 H LYS 62 9.963 -5.624 3.764 544 HA LYS 62 HA LYS 62 12.038 -5.832 1.808 545 HB2 LYS 62 2HB LYS 62 10.511 -7.699 2.482 546 HB3 LYS 62 3HB LYS 62 9.194 -6.883 1.646 547 HG2 LYS 62 2HG LYS 62 10.402 -7.111 -0.497 548 HG3 LYS 62 3HG LYS 62 11.748 -7.888 0.345 549 HD2 LYS 62 2HD LYS 62 10.320 -9.579 -0.724 550 HD3 LYS 62 3HD LYS 62 10.263 -9.746 1.032 551 HE2 LYS 62 2HE LYS 62 8.099 -8.532 1.068 552 HE3 LYS 62 3HE LYS 62 8.161 -8.380 -0.691 553 HZ1 LYS 62 3HZ LYS 62 8.119 -10.960 0.778 554 HZ2 LYS 62 1HZ LYS 62 8.053 -10.757 -0.894 555 HZ3 LYS 62 2HZ LYS 62 6.770 -10.235 0.074 556 H ILE 63 H ILE 63 8.647 -4.578 1.597 557 HA ILE 63 HA ILE 63 8.905 -3.532 -1.030 558 HB ILE 63 HB ILE 63 6.878 -3.121 1.192 559 HG12 ILE 63 2HG1 ILE 63 5.261 -4.010 -0.524 560 HG13 ILE 63 3HG1 ILE 63 6.577 -4.131 -1.682 561 HG21 ILE 63 1HG2 ILE 63 5.508 -1.604 -0.214 562 HG22 ILE 63 2HG2 ILE 63 6.833 -1.499 -1.376 563 HG23 ILE 63 3HG2 ILE 63 7.044 -0.864 0.257 564 HD11 ILE 63 3HD1 ILE 63 7.632 -5.842 -0.268 565 HD12 ILE 63 1HD1 ILE 63 6.001 -6.292 -0.764 566 HD13 ILE 63 2HD1 ILE 63 6.292 -5.706 0.873 567 H LYS 64 H LYS 64 9.612 -2.184 2.141 568 HA LYS 64 HA LYS 64 9.880 0.555 1.517 569 HB2 LYS 64 2HB LYS 64 9.635 -0.515 3.810 570 HB3 LYS 64 3HB LYS 64 11.312 -1.009 3.720 571 HG2 LYS 64 2HG LYS 64 10.608 1.913 3.471 572 HG3 LYS 64 3HG LYS 64 10.578 1.149 5.061 573 HD2 LYS 64 2HD LYS 64 12.964 0.492 4.771 574 HD3 LYS 64 3HD LYS 64 12.986 1.291 3.195 575 HE2 LYS 64 2HE LYS 64 12.478 3.449 4.293 576 HE3 LYS 64 3HE LYS 64 12.464 2.645 5.864 577 HZ1 LYS 64 3HZ LYS 64 14.809 2.818 4.047 578 HZ2 LYS 64 1HZ LYS 64 14.788 2.096 5.577 579 HZ3 LYS 64 2HZ LYS 64 14.562 3.764 5.425 580 H GLN 65 H GLN 65 12.318 -2.049 1.756 581 HA GLN 65 HA GLN 65 14.513 -0.319 0.990 582 HB2 GLN 65 2HB GLN 65 14.422 -3.323 1.474 583 HB3 GLN 65 3HB GLN 65 15.901 -2.400 1.197 584 HG2 GLN 65 2HG GLN 65 15.524 -1.120 3.253 585 HG3 GLN 65 3HG GLN 65 13.985 -1.941 3.509 586 HE21 GLN 65 1HE2 GLN 65 14.570 -2.802 5.508 587 HE22 GLN 65 2HE2 GLN 65 15.771 -4.029 5.699 588 H GLU 66 H GLU 66 12.658 -2.912 -0.617 589 HA GLU 66 HA GLU 66 14.374 -3.083 -2.909 590 HB2 GLU 66 2HB GLU 66 11.554 -4.144 -2.478 591 HB3 GLU 66 3HB GLU 66 12.511 -4.465 -3.922 592 HG2 GLU 66 2HG GLU 66 13.190 -5.311 -1.092 593 HG3 GLU 66 3HG GLU 66 12.588 -6.357 -2.376 594 H ALA 67 H ALA 67 11.082 -1.681 -2.445 595 HA ALA 67 HA ALA 67 11.051 -0.523 -5.090 596 HB1 ALA 67 3HB ALA 67 9.207 0.006 -2.741 597 HB2 ALA 67 1HB ALA 67 8.967 -1.222 -3.986 598 HB3 ALA 67 2HB ALA 67 8.929 0.488 -4.416 599 H ASN 68 H ASN 68 12.191 0.453 -1.957 600 HA ASN 68 HA ASN 68 13.330 2.227 -1.152 601 HB2 ASN 68 2HB ASN 68 14.784 1.765 -3.142 602 HB3 ASN 68 3HB ASN 68 13.845 2.909 -4.088 603 HD21 ASN 68 1HD2 ASN 68 14.257 5.120 -3.834 604 HD22 ASN 68 2HD2 ASN 68 15.568 5.737 -2.893 605 H VAL 69 H VAL 69 10.904 2.603 -0.753 606 HA VAL 69 HA VAL 69 10.002 5.239 -1.794 607 HB VAL 69 HB VAL 69 7.638 4.384 -1.648 608 HG11 VAL 69 1HG1 VAL 69 8.814 4.438 -3.810 609 HG12 VAL 69 2HG1 VAL 69 7.680 3.089 -3.730 610 HG13 VAL 69 3HG1 VAL 69 9.412 2.798 -3.538 611 HG21 VAL 69 3HG2 VAL 69 7.946 2.541 -0.046 612 HG22 VAL 69 1HG2 VAL 69 8.942 1.661 -1.207 613 HG23 VAL 69 2HG2 VAL 69 7.227 1.929 -1.536 614 H GLN 70 H GLN 70 8.718 6.491 -0.403 615 HA GLN 70 HA GLN 70 9.164 6.235 2.420 616 HB2 GLN 70 2HB GLN 70 7.532 8.165 0.713 617 HB3 GLN 70 3HB GLN 70 7.518 8.235 2.471 618 HG2 GLN 70 2HG GLN 70 9.054 9.892 1.637 619 HG3 GLN 70 3HG GLN 70 9.962 8.636 2.468 620 HE21 GLN 70 1HE2 GLN 70 11.899 9.188 1.386 621 HE22 GLN 70 2HE2 GLN 70 12.154 8.843 -0.288 622 H VAL 71 H VAL 71 8.070 4.824 3.590 623 HA VAL 71 HA VAL 71 5.524 3.698 2.658 624 HB VAL 71 HB VAL 71 7.592 2.723 4.684 625 HG11 VAL 71 1HG1 VAL 71 4.941 1.390 4.017 626 HG12 VAL 71 2HG1 VAL 71 5.380 2.104 5.569 627 HG13 VAL 71 3HG1 VAL 71 6.233 0.673 4.988 628 HG21 VAL 71 3HG2 VAL 71 6.668 1.560 2.030 629 HG22 VAL 71 1HG2 VAL 71 7.884 0.849 3.098 630 HG23 VAL 71 2HG2 VAL 71 8.193 2.402 2.315 631 H TYR 72 H TYR 72 3.661 4.039 3.681 632 HA TYR 72 HA TYR 72 3.607 5.134 6.447 633 HB2 TYR 72 2HB TYR 72 1.606 5.451 4.141 634 HB3 TYR 72 3HB TYR 72 1.315 6.008 5.783 635 HD1 TYR 72 HD2 TYR 72 3.589 6.533 2.824 636 HD2 TYR 72 HD1 TYR 72 2.014 8.179 6.445 637 HE1 TYR 72 HE2 TYR 72 4.588 8.721 2.267 638 HE2 TYR 72 HE1 TYR 72 2.995 10.353 5.885 639 HH TYR 72 HH TYR 72 4.748 11.306 4.521 640 H ARG 73 H ARG 73 3.405 3.171 7.621 641 HA ARG 73 HA ARG 73 1.592 1.112 6.594 642 HB2 ARG 73 2HB ARG 73 3.632 0.241 7.613 643 HB3 ARG 73 3HB ARG 73 3.266 1.040 9.143 644 HG2 ARG 73 2HG ARG 73 1.471 -0.426 9.634 645 HG3 ARG 73 3HG ARG 73 1.282 -0.917 7.955 646 HD2 ARG 73 2HD ARG 73 2.173 -2.760 9.191 647 HD3 ARG 73 3HD ARG 73 3.437 -2.151 8.123 648 HE ARG 73 HE ARG 73 3.997 -0.862 10.398 649 HH11 ARG 73 1HH1 ARG 73 3.350 -4.286 9.814 650 HH12 ARG 73 2HH1 ARG 73 4.363 -4.815 11.118 651 HH21 ARG 73 1HH2 ARG 73 5.345 -1.564 12.052 652 HH22 ARG 73 2HH2 ARG 73 5.504 -3.256 12.396 653 H VAL 74 H VAL 74 -0.419 1.044 7.058 654 HA VAL 74 HA VAL 74 -1.617 2.740 9.127 655 HB VAL 74 HB VAL 74 -2.644 1.320 6.642 656 HG11 VAL 74 1HG1 VAL 74 -4.387 1.023 8.353 657 HG12 VAL 74 2HG1 VAL 74 -4.905 2.137 7.089 658 HG13 VAL 74 3HG1 VAL 74 -4.391 2.762 8.657 659 HG21 VAL 74 3HG2 VAL 74 -3.193 3.595 5.894 660 HG22 VAL 74 1HG2 VAL 74 -1.485 3.477 6.325 661 HG23 VAL 74 2HG2 VAL 74 -2.624 4.259 7.427 662 H THR 75 H THR 75 -2.294 1.891 10.962 663 HA THR 75 HA THR 75 -2.724 -1.015 11.294 664 HB THR 75 HB THR 75 -2.538 -0.486 13.750 665 HG1 THR 75 HG1 THR 75 -3.106 1.606 13.975 666 HG21 THR 75 3HG2 THR 75 -0.116 0.041 13.789 667 HG22 THR 75 1HG2 THR 75 -0.192 0.556 12.098 668 HG23 THR 75 2HG2 THR 75 -0.476 -1.133 12.523 669 H SER 76 H SER 76 -4.381 2.001 11.128 670 HA SER 76 HA SER 76 -6.962 0.761 11.776 671 HB2 SER 76 2HB SER 76 -7.583 2.673 13.257 672 HB3 SER 76 3HB SER 76 -6.223 1.760 13.914 673 HG SER 76 HG SER 76 -5.415 3.714 14.046 674 H ASN 77 H ASN 77 -8.789 1.989 10.956 675 HA ASN 77 HA ASN 77 -8.535 3.072 8.397 676 HB2 ASN 77 2HB ASN 77 -10.799 3.541 10.400 677 HB3 ASN 77 3HB ASN 77 -10.887 3.912 8.679 678 HD21 ASN 77 1HD2 ASN 77 -12.674 2.517 8.463 679 HD22 ASN 77 2HD2 ASN 77 -12.498 0.798 8.455 680 H ASP 78 H ASP 78 -8.433 4.630 11.523 681 HA ASP 78 HA ASP 78 -8.651 7.338 10.925 682 HB2 ASP 78 2HB ASP 78 -6.901 6.017 13.054 683 HB3 ASP 78 3HB ASP 78 -7.369 7.717 13.036 684 H GLU 79 H GLU 79 -5.764 5.244 10.920 685 HA GLU 79 HA GLU 79 -3.834 7.193 10.259 686 HB2 GLU 79 2HB GLU 79 -3.785 4.222 9.566 687 HB3 GLU 79 3HB GLU 79 -2.389 5.295 9.592 688 HG2 GLU 79 2HG GLU 79 -4.057 4.446 11.975 689 HG3 GLU 79 3HG GLU 79 -2.444 3.864 11.570 690 H LEU 80 H LEU 80 -5.708 4.960 8.263 691 HA LEU 80 HA LEU 80 -4.478 5.350 5.787 692 HB2 LEU 80 2HB LEU 80 -5.954 3.449 6.460 693 HB3 LEU 80 3HB LEU 80 -7.344 4.505 6.401 694 HG LEU 80 HG LEU 80 -6.951 2.865 4.434 695 HD11 LEU 80 1HD1 LEU 80 -8.650 4.580 4.331 696 HD12 LEU 80 2HD1 LEU 80 -7.883 4.339 2.765 697 HD13 LEU 80 3HD1 LEU 80 -7.463 5.746 3.745 698 HD21 LEU 80 3HD2 LEU 80 -4.943 4.968 3.574 699 HD22 LEU 80 1HD2 LEU 80 -5.477 3.572 2.631 700 HD23 LEU 80 2HD2 LEU 80 -4.545 3.333 4.107 701 H GLU 81 H GLU 81 -7.458 6.781 7.086 702 HA GLU 81 HA GLU 81 -8.202 8.345 4.885 703 HB2 GLU 81 2HB GLU 81 -8.796 8.667 7.858 704 HB3 GLU 81 3HB GLU 81 -9.599 9.604 6.596 705 HG2 GLU 81 2HG GLU 81 -10.619 7.625 5.663 706 HG3 GLU 81 3HG GLU 81 -9.639 6.576 6.687 707 H GLN 82 H GLN 82 -6.236 9.150 7.757 708 HA GLN 82 HA GLN 82 -5.917 11.917 7.166 709 HB2 GLN 82 2HB GLN 82 -4.336 10.080 9.007 710 HB3 GLN 82 3HB GLN 82 -4.046 11.813 8.892 711 HG2 GLN 82 2HG GLN 82 -6.661 10.540 9.745 712 HG3 GLN 82 3HG GLN 82 -5.447 11.195 10.840 713 HE21 GLN 82 1HE2 GLN 82 -8.265 11.974 10.496 714 HE22 GLN 82 2HE2 GLN 82 -8.250 13.660 10.110 715 H VAL 83 H VAL 83 -4.012 9.058 6.280 716 HA VAL 83 HA VAL 83 -1.714 10.414 5.300 717 HB VAL 83 HB VAL 83 -2.784 7.667 4.483 718 HG11 VAL 83 1HG1 VAL 83 -0.062 8.909 3.880 719 HG12 VAL 83 2HG1 VAL 83 -1.314 8.511 2.699 720 HG13 VAL 83 3HG1 VAL 83 -0.497 7.224 3.584 721 HG21 VAL 83 3HG2 VAL 83 -1.036 6.760 5.973 722 HG22 VAL 83 1HG2 VAL 83 -2.135 7.809 6.865 723 HG23 VAL 83 2HG2 VAL 83 -0.539 8.398 6.408 724 H VAL 84 H VAL 84 -4.763 9.433 3.753 725 HA VAL 84 HA VAL 84 -3.986 10.316 1.132 726 HB VAL 84 HB VAL 84 -6.818 9.729 2.100 727 HG11 VAL 84 1HG1 VAL 84 -5.652 9.787 -0.717 728 HG12 VAL 84 2HG1 VAL 84 -6.757 10.978 -0.029 729 HG13 VAL 84 3HG1 VAL 84 -7.306 9.324 -0.301 730 HG21 VAL 84 3HG2 VAL 84 -4.804 7.831 0.825 731 HG22 VAL 84 1HG2 VAL 84 -6.492 7.448 1.185 732 HG23 VAL 84 2HG2 VAL 84 -5.361 7.779 2.499 733 H LYS 85 H LYS 85 -5.737 11.812 3.846 734 HA LYS 85 HA LYS 85 -6.590 14.206 2.596 735 HB2 LYS 85 2HB LYS 85 -5.640 13.776 5.464 736 HB3 LYS 85 3HB LYS 85 -6.478 15.220 4.900 737 HG2 LYS 85 2HG LYS 85 -8.497 13.933 4.459 738 HG3 LYS 85 3HG LYS 85 -7.664 12.429 4.861 739 HD2 LYS 85 2HD LYS 85 -7.306 13.328 7.194 740 HD3 LYS 85 3HD LYS 85 -8.302 14.722 6.761 741 HE2 LYS 85 2HE LYS 85 -9.220 11.826 6.743 742 HE3 LYS 85 3HE LYS 85 -9.586 13.010 7.999 743 HZ1 LYS 85 3HZ LYS 85 -10.425 13.171 5.157 744 HZ2 LYS 85 1HZ LYS 85 -10.757 14.334 6.336 745 HZ3 LYS 85 2HZ LYS 85 -11.412 12.786 6.467 746 H ASP 86 H ASP 86 -3.541 13.189 3.961 747 HA ASP 86 HA ASP 86 -2.191 15.715 3.903 748 HB2 ASP 86 2HB ASP 86 -1.647 13.993 5.571 749 HB3 ASP 86 3HB ASP 86 -1.193 12.859 4.308 750 H VAL 87 H VAL 87 -2.183 12.802 1.804 751 HA VAL 87 HA VAL 87 0.087 13.561 0.263 752 HB VAL 87 HB VAL 87 -0.833 11.186 0.516 753 HG11 VAL 87 1HG1 VAL 87 -2.518 10.409 -1.111 754 HG12 VAL 87 2HG1 VAL 87 -2.756 12.067 -1.664 755 HG13 VAL 87 3HG1 VAL 87 -3.183 11.619 -0.013 756 HG21 VAL 87 3HG2 VAL 87 0.987 11.693 -1.069 757 HG22 VAL 87 1HG2 VAL 87 -0.193 12.088 -2.319 758 HG23 VAL 87 2HG2 VAL 87 -0.071 10.432 -1.711 759 H LYS 88 H LYS 88 -3.228 14.575 0.074 760 HA LYS 88 HA LYS 88 -3.128 15.339 -2.725 761 HB2 LYS 88 2HB LYS 88 -5.212 15.978 -0.610 762 HB3 LYS 88 3HB LYS 88 -5.385 16.272 -2.340 763 HG2 LYS 88 2HG LYS 88 -5.175 13.579 -0.960 764 HG3 LYS 88 3HG LYS 88 -6.598 14.254 -1.749 765 HD2 LYS 88 2HD LYS 88 -4.007 13.473 -3.155 766 HD3 LYS 88 3HD LYS 88 -5.474 12.496 -3.107 767 HE2 LYS 88 2HE LYS 88 -5.193 15.230 -4.398 768 HE3 LYS 88 3HE LYS 88 -5.313 13.685 -5.238 769 HZ1 LYS 88 3HZ LYS 88 -7.417 14.881 -5.191 770 HZ2 LYS 88 1HZ LYS 88 -7.417 14.852 -3.503 771 HZ3 LYS 88 2HZ LYS 88 -7.533 13.407 -4.371 772 H GLY 89 H GLY 89 -1.845 16.703 0.041 773 HA2 GLY 89 2HA GLY 89 -1.487 19.302 -1.376 774 HA3 GLY 89 3HA GLY 89 -1.517 19.144 0.379 775 H SER 90 H SER 90 0.042 17.333 1.159 776 HA SER 90 HA SER 90 2.691 18.162 0.792 777 HB2 SER 90 2HB SER 90 1.609 15.559 1.954 778 HB3 SER 90 3HB SER 90 3.249 16.175 2.199 779 HG SER 90 HG SER 90 1.425 16.618 3.802 780 H GLY 91 H GLY 91 0.996 15.283 -0.453 781 HA2 GLY 91 2HA GLY 91 3.334 14.249 -1.840 782 HA3 GLY 91 3HA GLY 91 1.721 13.558 -1.816 783 H LEU 92 H LEU 92 0.613 16.233 -2.582 784 HA LEU 92 HA LEU 92 0.423 15.894 -5.367 785 HB2 LEU 92 2HB LEU 92 -1.360 16.959 -4.127 786 HB3 LEU 92 3HB LEU 92 -0.281 18.213 -3.536 787 HG LEU 92 HG LEU 92 -0.064 19.091 -5.883 788 HD11 LEU 92 1HD1 LEU 92 -2.204 17.072 -6.563 789 HD12 LEU 92 2HD1 LEU 92 -0.528 17.059 -7.121 790 HD13 LEU 92 3HD1 LEU 92 -1.610 18.356 -7.622 791 HD21 LEU 92 3HD2 LEU 92 -2.892 18.977 -4.807 792 HD22 LEU 92 1HD2 LEU 92 -2.278 20.149 -5.979 793 HD23 LEU 92 2HD2 LEU 92 -1.633 20.122 -4.338 794 H GLU 93 H GLU 93 2.393 15.917 -6.346 795 HA GLU 93 HA GLU 93 3.863 18.495 -6.488 796 HB2 GLU 93 2HB GLU 93 4.854 15.652 -7.035 797 HB3 GLU 93 3HB GLU 93 5.801 17.119 -7.302 798 HG2 GLU 93 2HG GLU 93 5.782 17.622 -4.914 799 HG3 GLU 93 3HG GLU 93 4.722 16.246 -4.600 800 H HIS 94 H HIS 94 3.845 19.490 -8.428 801 HA HIS 94 HA HIS 94 2.439 18.365 -10.702 802 HB2 HIS 94 2HB HIS 94 4.011 20.975 -10.433 803 HB3 HIS 94 3HB HIS 94 3.052 20.522 -11.837 804 HD1 HIS 94 HD1 HIS 94 0.518 20.818 -11.696 805 HD2 HIS 94 HD2 HIS 94 2.475 21.708 -8.148 806 HE1 HIS 94 HE1 HIS 94 -1.186 21.964 -10.253 807 HE2 HIS 94 HE2 HIS 94 0.058 22.572 -8.153 808 H HIS 95 H HIS 95 3.795 16.493 -10.784 809 HA HIS 95 HA HIS 95 6.577 16.715 -11.552 810 HB2 HIS 95 2HB HIS 95 6.424 14.154 -11.629 811 HB3 HIS 95 3HB HIS 95 6.149 14.917 -10.076 812 HD1 HIS 95 HD1 HIS 95 4.966 12.778 -9.262 813 HD2 HIS 95 HD2 HIS 95 3.021 14.605 -12.446 814 HE1 HIS 95 HE1 HIS 95 2.724 11.674 -9.405 815 HE2 HIS 95 HE2 HIS 95 1.682 12.625 -11.480 816 H HIS 96 H HIS 96 7.468 16.244 -13.507 817 HA HIS 96 HA HIS 96 5.800 16.521 -15.861 818 HB2 HIS 96 2HB HIS 96 8.813 16.129 -15.575 819 HB3 HIS 96 3HB HIS 96 7.983 16.469 -17.096 820 HD1 HIS 96 HD1 HIS 96 9.433 18.132 -14.169 821 HD2 HIS 96 HD2 HIS 96 6.668 19.082 -17.120 822 HE1 HIS 96 HE1 HIS 96 9.121 20.617 -14.026 823 HE2 HIS 96 HE2 HIS 96 7.567 21.182 -15.925 824 H HIS 97 H HIS 97 7.247 13.931 -14.117 825 HA HIS 97 HA HIS 97 6.905 11.790 -15.933 826 HB2 HIS 97 2HB HIS 97 8.203 11.581 -13.837 827 HB3 HIS 97 3HB HIS 97 6.762 11.893 -12.878 828 HD1 HIS 97 HD1 HIS 97 8.292 9.241 -15.106 829 HD2 HIS 97 HD2 HIS 97 5.253 9.664 -12.308 830 HE1 HIS 97 HE1 HIS 97 7.454 6.922 -14.654 831 HE2 HIS 97 HE2 HIS 97 5.518 7.238 -13.094 832 H HIS 98 H HIS 98 5.024 11.214 -16.845 833 HA HIS 98 HA HIS 98 2.466 12.230 -15.933 834 HB2 HIS 98 2HB HIS 98 3.205 10.590 -18.404 835 HB3 HIS 98 3HB HIS 98 1.588 11.201 -18.075 836 HD1 HIS 98 HD1 HIS 98 4.864 12.189 -19.436 837 HD2 HIS 98 HD2 HIS 98 1.343 14.061 -18.268 838 HE1 HIS 98 HE1 HIS 98 4.969 14.493 -20.424 839 HE2 HIS 98 HE2 HIS 98 2.937 15.662 -19.501 840 H HIS 99 H HIS 99 3.083 10.725 -13.951 841 HA HIS 99 HA HIS 99 0.892 8.942 -13.731 842 HB2 HIS 99 2HB HIS 99 3.663 7.711 -13.849 843 HB3 HIS 99 3HB HIS 99 2.502 7.042 -12.714 844 HD1 HIS 99 HD1 HIS 99 3.703 6.397 -15.969 845 HD2 HIS 99 HD2 HIS 99 -0.085 6.463 -14.279 846 HE1 HIS 99 HE1 HIS 99 2.255 5.041 -17.506 847 HE2 HIS 99 HE2 HIS 99 -0.067 5.298 -16.575 Start of MODEL 7 1 H1 MET 1 1H MET 1 -1.140 14.835 -10.018 2 H2 MET 1 2H MET 1 0.101 15.668 -10.812 3 H3 MET 1 3H MET 1 -0.551 16.282 -9.381 4 HA MET 1 HA MET 1 0.938 13.752 -9.632 5 HB2 MET 1 2HB MET 1 2.494 15.592 -9.913 6 HB3 MET 1 3HB MET 1 1.776 16.493 -8.586 7 HG2 MET 1 2HG MET 1 3.997 15.452 -8.045 8 HG3 MET 1 3HG MET 1 2.692 14.975 -6.954 9 HE1 MET 1 3HE MET 1 4.778 11.672 -7.063 10 HE2 MET 1 1HE MET 1 3.991 12.858 -6.021 11 HE3 MET 1 2HE MET 1 5.386 13.325 -6.996 12 H GLY 2 H GLY 2 0.987 12.490 -7.820 13 HA2 GLY 2 2HA GLY 2 0.952 12.660 -5.269 14 HA3 GLY 2 3HA GLY 2 -0.695 13.238 -5.498 15 H ARG 3 H ARG 3 1.207 10.570 -6.994 16 HA ARG 3 HA ARG 3 -1.027 8.749 -6.745 17 HB2 ARG 3 2HB ARG 3 0.367 8.483 -8.703 18 HB3 ARG 3 3HB ARG 3 1.816 8.302 -7.725 19 HG2 ARG 3 2HG ARG 3 1.019 6.141 -8.676 20 HG3 ARG 3 3HG ARG 3 1.089 6.124 -6.914 21 HD2 ARG 3 2HD ARG 3 -0.940 5.003 -7.632 22 HD3 ARG 3 3HD ARG 3 -1.381 6.519 -6.846 23 HE ARG 3 HE ARG 3 -1.181 6.516 -9.772 24 HH11 ARG 3 1HH1 ARG 3 -3.289 6.446 -6.970 25 HH12 ARG 3 2HH1 ARG 3 -4.698 6.883 -7.874 26 HH21 ARG 3 1HH2 ARG 3 -3.068 7.071 -10.944 27 HH22 ARG 3 2HH2 ARG 3 -4.578 7.236 -10.104 28 H LEU 4 H LEU 4 -1.519 7.824 -4.921 29 HA LEU 4 HA LEU 4 0.559 6.744 -3.110 30 HB2 LEU 4 2HB LEU 4 -0.977 8.541 -2.203 31 HB3 LEU 4 3HB LEU 4 -2.339 7.471 -2.496 32 HG LEU 4 HG LEU 4 -1.351 5.824 -0.864 33 HD11 LEU 4 1HD1 LEU 4 1.008 6.433 -1.031 34 HD12 LEU 4 2HD1 LEU 4 0.460 6.541 0.639 35 HD13 LEU 4 3HD1 LEU 4 0.679 8.013 -0.313 36 HD21 LEU 4 3HD2 LEU 4 -3.067 7.407 -0.147 37 HD22 LEU 4 1HD2 LEU 4 -1.826 8.600 0.252 38 HD23 LEU 4 2HD2 LEU 4 -1.922 7.082 1.151 39 H VAL 5 H VAL 5 0.692 4.580 -3.167 40 HA VAL 5 HA VAL 5 -1.563 2.937 -4.171 41 HB VAL 5 HB VAL 5 1.405 2.251 -3.929 42 HG11 VAL 5 1HG1 VAL 5 0.850 0.094 -5.055 43 HG12 VAL 5 2HG1 VAL 5 -0.868 0.492 -4.960 44 HG13 VAL 5 3HG1 VAL 5 0.057 0.229 -3.481 45 HG21 VAL 5 3HG2 VAL 5 1.369 2.161 -6.409 46 HG22 VAL 5 1HG2 VAL 5 0.903 3.761 -5.824 47 HG23 VAL 5 2HG2 VAL 5 -0.330 2.639 -6.408 48 H VAL 6 H VAL 6 -2.766 2.058 -2.607 49 HA VAL 6 HA VAL 6 -1.703 1.688 0.103 50 HB VAL 6 HB VAL 6 -4.594 1.569 -0.865 51 HG11 VAL 6 1HG1 VAL 6 -3.487 1.603 1.976 52 HG12 VAL 6 2HG1 VAL 6 -4.260 0.231 1.179 53 HG13 VAL 6 3HG1 VAL 6 -5.201 1.679 1.548 54 HG21 VAL 6 3HG2 VAL 6 -4.868 3.801 0.199 55 HG22 VAL 6 1HG2 VAL 6 -3.685 3.855 -1.111 56 HG23 VAL 6 2HG2 VAL 6 -3.143 3.839 0.570 57 H VAL 7 H VAL 7 -0.661 -0.218 0.106 58 HA VAL 7 HA VAL 7 -1.674 -2.624 -1.138 59 HB VAL 7 HB VAL 7 0.691 -2.190 0.732 60 HG11 VAL 7 1HG1 VAL 7 0.013 -4.642 -0.939 61 HG12 VAL 7 2HG1 VAL 7 -0.038 -4.539 0.821 62 HG13 VAL 7 3HG1 VAL 7 1.506 -4.412 -0.021 63 HG21 VAL 7 3HG2 VAL 7 0.653 -2.472 -2.299 64 HG22 VAL 7 1HG2 VAL 7 2.096 -2.311 -1.289 65 HG23 VAL 7 2HG2 VAL 7 0.947 -0.977 -1.402 66 H VAL 8 H VAL 8 -3.048 -3.953 -0.182 67 HA VAL 8 HA VAL 8 -3.394 -4.029 2.748 68 HB VAL 8 HB VAL 8 -5.834 -4.458 2.392 69 HG11 VAL 8 1HG1 VAL 8 -6.526 -2.149 1.825 70 HG12 VAL 8 2HG1 VAL 8 -4.917 -1.821 1.174 71 HG13 VAL 8 3HG1 VAL 8 -5.120 -2.154 2.897 72 HG21 VAL 8 3HG2 VAL 8 -6.879 -4.038 0.184 73 HG22 VAL 8 1HG2 VAL 8 -5.745 -5.387 0.105 74 HG23 VAL 8 2HG2 VAL 8 -5.286 -3.807 -0.536 75 H THR 9 H THR 9 -4.035 -6.105 3.540 76 HA THR 9 HA THR 9 -3.346 -8.383 1.775 77 HB THR 9 HB THR 9 -2.990 -9.598 3.980 78 HG1 THR 9 HG1 THR 9 -2.871 -8.231 5.842 79 HG21 THR 9 3HG2 THR 9 -1.344 -7.069 3.536 80 HG22 THR 9 1HG2 THR 9 -1.067 -8.631 2.756 81 HG23 THR 9 2HG2 THR 9 -0.840 -8.458 4.498 82 H SER 10 H SER 10 -6.037 -6.823 2.819 83 HA SER 10 HA SER 10 -7.703 -9.260 2.822 84 HB2 SER 10 2HB SER 10 -7.535 -8.434 5.157 85 HB3 SER 10 3HB SER 10 -8.049 -6.830 4.642 86 HG SER 10 HG SER 10 -9.517 -9.200 4.870 87 H GLU 11 H GLU 11 -9.409 -9.130 1.463 88 HA GLU 11 HA GLU 11 -9.793 -6.978 -0.347 89 HB2 GLU 11 2HB GLU 11 -11.582 -9.356 0.299 90 HB3 GLU 11 3HB GLU 11 -11.846 -8.250 -1.051 91 HG2 GLU 11 2HG GLU 11 -9.660 -8.894 -1.996 92 HG3 GLU 11 3HG GLU 11 -9.418 -10.032 -0.671 93 H GLN 12 H GLN 12 -11.073 -7.696 2.796 94 HA GLN 12 HA GLN 12 -13.379 -6.039 2.836 95 HB2 GLN 12 2HB GLN 12 -11.539 -6.736 5.176 96 HB3 GLN 12 3HB GLN 12 -13.232 -6.239 5.278 97 HG2 GLN 12 2HG GLN 12 -13.924 -8.317 4.174 98 HG3 GLN 12 3HG GLN 12 -12.242 -8.808 3.988 99 HE21 GLN 12 1HE2 GLN 12 -11.063 -9.415 5.867 100 HE22 GLN 12 2HE2 GLN 12 -11.873 -9.909 7.310 101 H LEU 13 H LEU 13 -9.949 -5.496 3.543 102 HA LEU 13 HA LEU 13 -10.212 -2.695 4.183 103 HB2 LEU 13 2HB LEU 13 -7.751 -4.360 3.541 104 HB3 LEU 13 3HB LEU 13 -7.724 -2.725 4.194 105 HG LEU 13 HG LEU 13 -8.844 -5.172 5.628 106 HD11 LEU 13 1HD1 LEU 13 -6.264 -3.670 6.146 107 HD12 LEU 13 2HD1 LEU 13 -6.410 -5.285 5.448 108 HD13 LEU 13 3HD1 LEU 13 -6.913 -5.001 7.112 109 HD21 LEU 13 3HD2 LEU 13 -9.024 -3.705 7.600 110 HD22 LEU 13 1HD2 LEU 13 -10.036 -3.130 6.276 111 HD23 LEU 13 2HD2 LEU 13 -8.506 -2.321 6.630 112 H LYS 14 H LYS 14 -9.600 -4.588 1.294 113 HA LYS 14 HA LYS 14 -8.452 -2.628 -0.373 114 HB2 LYS 14 2HB LYS 14 -8.364 -5.025 -0.882 115 HB3 LYS 14 3HB LYS 14 -10.112 -5.077 -1.084 116 HG2 LYS 14 2HG LYS 14 -9.935 -3.613 -3.065 117 HG3 LYS 14 3HG LYS 14 -8.178 -3.541 -2.860 118 HD2 LYS 14 2HD LYS 14 -7.966 -5.921 -3.300 119 HD3 LYS 14 3HD LYS 14 -9.720 -6.136 -3.299 120 HE2 LYS 14 2HE LYS 14 -8.840 -6.136 -5.595 121 HE3 LYS 14 3HE LYS 14 -9.885 -4.739 -5.334 122 HZ1 LYS 14 3HZ LYS 14 -6.921 -4.720 -5.275 123 HZ2 LYS 14 1HZ LYS 14 -7.911 -3.372 -5.026 124 HZ3 LYS 14 2HZ LYS 14 -7.884 -4.141 -6.528 125 H GLU 15 H GLU 15 -11.835 -3.811 -0.291 126 HA GLU 15 HA GLU 15 -12.904 -1.849 -2.022 127 HB2 GLU 15 2HB GLU 15 -15.125 -2.606 -1.232 128 HB3 GLU 15 3HB GLU 15 -14.074 -3.965 -1.620 129 HG2 GLU 15 2HG GLU 15 -13.686 -4.436 0.711 130 HG3 GLU 15 3HG GLU 15 -14.469 -2.938 1.208 131 H GLU 16 H GLU 16 -12.247 -1.839 1.413 132 HA GLU 16 HA GLU 16 -13.889 0.260 2.301 133 HB2 GLU 16 2HB GLU 16 -12.830 -1.228 3.887 134 HB3 GLU 16 3HB GLU 16 -11.229 -0.857 3.277 135 HG2 GLU 16 2HG GLU 16 -11.648 0.132 5.493 136 HG3 GLU 16 3HG GLU 16 -11.287 1.350 4.265 137 H VAL 17 H VAL 17 -10.394 0.363 1.474 138 HA VAL 17 HA VAL 17 -10.187 3.191 1.585 139 HB VAL 17 HB VAL 17 -8.301 1.277 0.143 140 HG11 VAL 17 1HG1 VAL 17 -7.801 4.055 1.295 141 HG12 VAL 17 2HG1 VAL 17 -7.862 3.632 -0.418 142 HG13 VAL 17 3HG1 VAL 17 -6.566 3.002 0.598 143 HG21 VAL 17 3HG2 VAL 17 -8.634 0.526 2.473 144 HG22 VAL 17 1HG2 VAL 17 -8.240 2.142 3.068 145 HG23 VAL 17 2HG2 VAL 17 -7.006 1.171 2.257 146 H ARG 18 H ARG 18 -10.961 0.968 -1.079 147 HA ARG 18 HA ARG 18 -10.828 2.848 -3.212 148 HB2 ARG 18 2HB ARG 18 -12.410 0.270 -2.914 149 HB3 ARG 18 3HB ARG 18 -12.423 1.232 -4.392 150 HG2 ARG 18 2HG ARG 18 -9.959 0.929 -4.576 151 HG3 ARG 18 3HG ARG 18 -10.004 -0.118 -3.155 152 HD2 ARG 18 2HD ARG 18 -9.980 -1.409 -5.279 153 HD3 ARG 18 3HD ARG 18 -11.443 -1.701 -4.330 154 HE ARG 18 HE ARG 18 -11.873 0.403 -6.186 155 HH11 ARG 18 1HH1 ARG 18 -11.649 -3.098 -6.078 156 HH12 ARG 18 2HH1 ARG 18 -12.634 -3.317 -7.489 157 HH21 ARG 18 1HH2 ARG 18 -13.153 0.101 -8.012 158 HH22 ARG 18 2HH2 ARG 18 -13.489 -1.505 -8.584 159 H LYS 19 H LYS 19 -13.467 1.925 -1.021 160 HA LYS 19 HA LYS 19 -15.558 3.330 -2.364 161 HB2 LYS 19 2HB LYS 19 -15.968 1.405 -0.842 162 HB3 LYS 19 3HB LYS 19 -15.390 2.348 0.515 163 HG2 LYS 19 2HG LYS 19 -17.728 2.361 0.732 164 HG3 LYS 19 3HG LYS 19 -17.340 3.950 0.080 165 HD2 LYS 19 2HD LYS 19 -18.229 1.653 -1.710 166 HD3 LYS 19 3HD LYS 19 -19.392 2.687 -0.885 167 HE2 LYS 19 2HE LYS 19 -17.342 3.583 -2.948 168 HE3 LYS 19 3HE LYS 19 -19.087 3.443 -3.181 169 HZ1 LYS 19 3HZ LYS 19 -19.372 5.148 -1.454 170 HZ2 LYS 19 1HZ LYS 19 -18.499 5.716 -2.784 171 HZ3 LYS 19 2HZ LYS 19 -17.699 5.329 -1.351 172 H LYS 20 H LYS 20 -13.362 4.115 0.291 173 HA LYS 20 HA LYS 20 -14.408 6.738 0.774 174 HB2 LYS 20 2HB LYS 20 -11.932 5.254 1.663 175 HB3 LYS 20 3HB LYS 20 -12.007 6.999 1.886 176 HG2 LYS 20 2HG LYS 20 -14.125 6.703 3.171 177 HG3 LYS 20 3HG LYS 20 -13.925 4.953 3.041 178 HD2 LYS 20 2HD LYS 20 -11.967 4.968 4.407 179 HD3 LYS 20 3HD LYS 20 -11.770 6.718 4.259 180 HE2 LYS 20 2HE LYS 20 -12.616 6.050 6.494 181 HE3 LYS 20 3HE LYS 20 -13.746 7.096 5.640 182 HZ1 LYS 20 3HZ LYS 20 -15.055 5.164 5.059 183 HZ2 LYS 20 1HZ LYS 20 -14.855 5.256 6.733 184 HZ3 LYS 20 2HZ LYS 20 -13.953 4.145 5.831 185 H PHE 21 H PHE 21 -11.667 5.465 -1.142 186 HA PHE 21 HA PHE 21 -11.394 8.070 -2.505 187 HB2 PHE 21 2HB PHE 21 -8.960 6.473 -1.610 188 HB3 PHE 21 3HB PHE 21 -8.987 8.088 -2.304 189 HD1 PHE 21 HD1 PHE 21 -10.014 10.010 -0.885 190 HD2 PHE 21 HD2 PHE 21 -9.040 6.163 0.744 191 HE1 PHE 21 HE1 PHE 21 -10.011 10.955 1.394 192 HE2 PHE 21 HE2 PHE 21 -9.049 7.129 3.000 193 HZ PHE 21 HZ PHE 21 -9.517 9.501 3.333 194 HA PRO 22 HA PRO 22 -11.545 4.675 -5.652 195 HB2 PRO 22 2HB PRO 22 -13.052 5.978 -7.507 196 HB3 PRO 22 3HB PRO 22 -13.781 5.281 -6.042 197 HG2 PRO 22 2HG PRO 22 -13.033 8.151 -6.579 198 HG3 PRO 22 3HG PRO 22 -14.517 7.493 -5.850 199 HD2 PRO 22 2HD PRO 22 -12.435 8.494 -4.352 200 HD3 PRO 22 3HD PRO 22 -13.541 7.237 -3.758 201 H GLN 23 H GLN 23 -10.048 7.669 -5.493 202 HA GLN 23 HA GLN 23 -8.977 7.824 -8.185 203 HB2 GLN 23 2HB GLN 23 -7.782 9.833 -7.327 204 HB3 GLN 23 3HB GLN 23 -9.516 9.900 -7.027 205 HG2 GLN 23 2HG GLN 23 -9.134 9.254 -4.658 206 HG3 GLN 23 3HG GLN 23 -7.396 9.185 -4.964 207 HE21 GLN 23 1HE2 GLN 23 -10.163 11.278 -4.614 208 HE22 GLN 23 2HE2 GLN 23 -9.283 12.756 -4.455 209 H VAL 24 H VAL 24 -7.960 6.574 -5.052 210 HA VAL 24 HA VAL 24 -5.145 6.354 -5.834 211 HB VAL 24 HB VAL 24 -4.720 5.490 -3.566 212 HG11 VAL 24 1HG1 VAL 24 -6.464 7.983 -3.505 213 HG12 VAL 24 2HG1 VAL 24 -4.737 7.929 -3.870 214 HG13 VAL 24 3HG1 VAL 24 -5.309 7.501 -2.256 215 HG21 VAL 24 3HG2 VAL 24 -6.514 5.329 -1.860 216 HG22 VAL 24 1HG2 VAL 24 -6.800 4.201 -3.188 217 HG23 VAL 24 2HG2 VAL 24 -7.726 5.702 -3.089 218 H GLU 25 H GLU 25 -4.012 4.297 -5.681 219 HA GLU 25 HA GLU 25 -5.565 2.067 -6.822 220 HB2 GLU 25 2HB GLU 25 -2.546 2.478 -6.696 221 HB3 GLU 25 3HB GLU 25 -3.378 1.154 -7.520 222 HG2 GLU 25 2HG GLU 25 -4.476 2.851 -8.993 223 HG3 GLU 25 3HG GLU 25 -3.492 4.099 -8.230 224 H VAL 26 H VAL 26 -6.294 0.663 -5.347 225 HA VAL 26 HA VAL 26 -4.722 0.084 -2.914 226 HB VAL 26 HB VAL 26 -7.657 -0.617 -3.358 227 HG11 VAL 26 1HG1 VAL 26 -6.526 -1.901 -1.576 228 HG12 VAL 26 2HG1 VAL 26 -7.712 -0.796 -0.876 229 HG13 VAL 26 3HG1 VAL 26 -5.992 -0.399 -0.815 230 HG21 VAL 26 3HG2 VAL 26 -6.540 1.884 -2.020 231 HG22 VAL 26 1HG2 VAL 26 -8.243 1.411 -2.050 232 HG23 VAL 26 2HG2 VAL 26 -7.419 1.838 -3.551 233 H ARG 27 H ARG 27 -3.476 -1.674 -3.183 234 HA ARG 27 HA ARG 27 -4.225 -3.777 -5.122 235 HB2 ARG 27 2HB ARG 27 -1.516 -2.951 -4.004 236 HB3 ARG 27 3HB ARG 27 -1.764 -4.284 -5.135 237 HG2 ARG 27 2HG ARG 27 -2.302 -1.330 -5.674 238 HG3 ARG 27 3HG ARG 27 -0.981 -2.302 -6.334 239 HD2 ARG 27 2HD ARG 27 -2.631 -3.727 -7.526 240 HD3 ARG 27 3HD ARG 27 -3.945 -2.747 -6.874 241 HE ARG 27 HE ARG 27 -3.210 -0.906 -8.222 242 HH11 ARG 27 1HH1 ARG 27 -1.656 -3.955 -9.011 243 HH12 ARG 27 2HH1 ARG 27 -1.204 -3.455 -10.608 244 HH21 ARG 27 1HH2 ARG 27 -2.666 -0.302 -10.340 245 HH22 ARG 27 2HH2 ARG 27 -1.779 -1.395 -11.355 246 H LEU 28 H LEU 28 -4.514 -5.847 -4.494 247 HA LEU 28 HA LEU 28 -4.547 -6.537 -1.655 248 HB2 LEU 28 2HB LEU 28 -6.479 -7.104 -3.073 249 HB3 LEU 28 3HB LEU 28 -5.448 -8.047 -4.134 250 HG LEU 28 HG LEU 28 -4.993 -9.618 -2.183 251 HD11 LEU 28 1HD1 LEU 28 -6.497 -9.578 -0.246 252 HD12 LEU 28 2HD1 LEU 28 -7.207 -8.064 -0.816 253 HD13 LEU 28 3HD1 LEU 28 -5.509 -8.121 -0.337 254 HD21 LEU 28 3HD2 LEU 28 -6.593 -10.223 -3.916 255 HD22 LEU 28 1HD2 LEU 28 -7.886 -9.373 -3.062 256 HD23 LEU 28 2HD2 LEU 28 -7.138 -10.802 -2.344 257 H VAL 29 H VAL 29 -3.186 -7.957 -0.703 258 HA VAL 29 HA VAL 29 -1.245 -9.539 -2.278 259 HB VAL 29 HB VAL 29 -0.685 -7.832 0.199 260 HG11 VAL 29 1HG1 VAL 29 1.166 -9.930 -1.013 261 HG12 VAL 29 2HG1 VAL 29 0.411 -10.011 0.580 262 HG13 VAL 29 3HG1 VAL 29 1.619 -8.770 0.241 263 HG21 VAL 29 3HG2 VAL 29 1.084 -6.819 -1.215 264 HG22 VAL 29 1HG2 VAL 29 -0.508 -6.646 -1.961 265 HG23 VAL 29 2HG2 VAL 29 0.620 -7.869 -2.557 266 H THR 30 H THR 30 -1.956 -11.579 -1.994 267 HA THR 30 HA THR 30 -2.971 -12.500 0.622 268 HB THR 30 HB THR 30 -3.673 -14.560 -0.637 269 HG1 THR 30 HG1 THR 30 -2.075 -14.405 -2.330 270 HG21 THR 30 3HG2 THR 30 -5.499 -13.523 -1.933 271 HG22 THR 30 1HG2 THR 30 -4.661 -11.963 -1.880 272 HG23 THR 30 2HG2 THR 30 -5.274 -12.692 -0.395 273 H THR 31 H THR 31 -0.250 -12.871 -1.554 274 HA THR 31 HA THR 31 1.109 -14.744 0.308 275 HB THR 31 HB THR 31 2.201 -15.869 -1.599 276 HG1 THR 31 HG1 THR 31 0.502 -14.390 -3.344 277 HG21 THR 31 3HG2 THR 31 0.048 -16.850 -0.844 278 HG22 THR 31 1HG2 THR 31 0.291 -17.089 -2.577 279 HG23 THR 31 2HG2 THR 31 -0.817 -15.841 -2.006 280 H GLU 32 H GLU 32 3.557 -14.728 -0.176 281 HA GLU 32 HA GLU 32 4.719 -12.206 0.159 282 HB2 GLU 32 2HB GLU 32 5.871 -14.309 0.766 283 HB3 GLU 32 3HB GLU 32 5.960 -14.772 -0.931 284 HG2 GLU 32 2HG GLU 32 7.372 -12.661 -1.280 285 HG3 GLU 32 3HG GLU 32 7.469 -12.550 0.473 286 H GLU 33 H GLU 33 4.272 -14.165 -2.771 287 HA GLU 33 HA GLU 33 5.974 -12.715 -4.495 288 HB2 GLU 33 2HB GLU 33 3.678 -14.590 -5.180 289 HB3 GLU 33 3HB GLU 33 4.891 -14.012 -6.333 290 HG2 GLU 33 2HG GLU 33 6.657 -15.061 -4.869 291 HG3 GLU 33 3HG GLU 33 5.359 -15.777 -3.908 292 H ASP 34 H ASP 34 2.550 -12.302 -3.698 293 HA ASP 34 HA ASP 34 1.802 -10.541 -5.787 294 HB2 ASP 34 2HB ASP 34 0.769 -10.637 -2.916 295 HB3 ASP 34 3HB ASP 34 0.033 -9.684 -4.203 296 H ALA 35 H ALA 35 3.232 -9.944 -2.588 297 HA ALA 35 HA ALA 35 3.295 -7.105 -2.703 298 HB1 ALA 35 3HB ALA 35 5.056 -8.983 -1.081 299 HB2 ALA 35 1HB ALA 35 3.491 -8.335 -0.576 300 HB3 ALA 35 2HB ALA 35 4.862 -7.249 -0.802 301 H LYS 36 H LYS 36 5.561 -9.618 -3.721 302 HA LYS 36 HA LYS 36 7.762 -7.942 -4.400 303 HB2 LYS 36 2HB LYS 36 7.040 -10.724 -5.410 304 HB3 LYS 36 3HB LYS 36 8.628 -9.960 -5.556 305 HG2 LYS 36 2HG LYS 36 8.915 -9.972 -3.148 306 HG3 LYS 36 3HG LYS 36 7.262 -10.539 -2.910 307 HD2 LYS 36 2HD LYS 36 8.687 -12.419 -2.599 308 HD3 LYS 36 3HD LYS 36 7.872 -12.648 -4.144 309 HE2 LYS 36 2HE LYS 36 9.895 -12.008 -5.342 310 HE3 LYS 36 3HE LYS 36 10.702 -11.589 -3.829 311 HZ1 LYS 36 3HZ LYS 36 10.468 -13.930 -3.148 312 HZ2 LYS 36 1HZ LYS 36 11.410 -13.752 -4.543 313 HZ3 LYS 36 2HZ LYS 36 9.816 -14.290 -4.663 314 H GLN 37 H GLN 37 4.938 -9.089 -6.177 315 HA GLN 37 HA GLN 37 5.685 -8.063 -8.744 316 HB2 GLN 37 2HB GLN 37 2.998 -8.878 -7.576 317 HB3 GLN 37 3HB GLN 37 3.200 -8.349 -9.248 318 HG2 GLN 37 2HG GLN 37 4.635 -10.240 -9.740 319 HG3 GLN 37 3HG GLN 37 4.654 -10.720 -8.042 320 HE21 GLN 37 1HE2 GLN 37 2.676 -10.523 -10.940 321 HE22 GLN 37 2HE2 GLN 37 1.480 -11.654 -10.417 322 H VAL 38 H VAL 38 3.833 -6.794 -5.976 323 HA VAL 38 HA VAL 38 3.027 -4.337 -7.114 324 HB VAL 38 HB VAL 38 3.525 -5.023 -4.172 325 HG11 VAL 38 1HG1 VAL 38 2.160 -3.012 -3.618 326 HG12 VAL 38 2HG1 VAL 38 2.110 -2.580 -5.329 327 HG13 VAL 38 3HG1 VAL 38 3.647 -2.572 -4.461 328 HG21 VAL 38 3HG2 VAL 38 1.715 -6.347 -5.235 329 HG22 VAL 38 1HG2 VAL 38 0.921 -4.860 -5.755 330 HG23 VAL 38 2HG2 VAL 38 1.056 -5.238 -4.034 331 H ILE 39 H ILE 39 6.064 -5.331 -5.518 332 HA ILE 39 HA ILE 39 7.439 -2.905 -5.376 333 HB ILE 39 HB ILE 39 8.485 -5.701 -6.002 334 HG12 ILE 39 2HG1 ILE 39 8.545 -4.081 -3.417 335 HG13 ILE 39 3HG1 ILE 39 7.449 -5.412 -3.762 336 HG21 ILE 39 1HG2 ILE 39 10.180 -3.276 -5.308 337 HG22 ILE 39 2HG2 ILE 39 10.140 -4.101 -6.866 338 HG23 ILE 39 3HG2 ILE 39 10.767 -4.936 -5.446 339 HD11 ILE 39 3HD1 ILE 39 9.215 -6.133 -2.298 340 HD12 ILE 39 1HD1 ILE 39 10.445 -5.591 -3.439 341 HD13 ILE 39 2HD1 ILE 39 9.386 -6.942 -3.855 342 H LYS 40 H LYS 40 7.071 -5.130 -8.136 343 HA LYS 40 HA LYS 40 8.695 -3.704 -9.990 344 HB2 LYS 40 2HB LYS 40 6.432 -5.670 -10.571 345 HB3 LYS 40 3HB LYS 40 7.701 -5.190 -11.699 346 HG2 LYS 40 2HG LYS 40 8.125 -6.718 -9.105 347 HG3 LYS 40 3HG LYS 40 8.092 -7.434 -10.717 348 HD2 LYS 40 2HD LYS 40 10.113 -5.303 -9.900 349 HD3 LYS 40 3HD LYS 40 10.398 -7.025 -9.664 350 HE2 LYS 40 2HE LYS 40 11.499 -6.369 -11.700 351 HE3 LYS 40 3HE LYS 40 10.105 -7.349 -12.142 352 HZ1 LYS 40 3HZ LYS 40 10.187 -4.386 -12.214 353 HZ2 LYS 40 1HZ LYS 40 8.921 -5.365 -12.752 354 HZ3 LYS 40 2HZ LYS 40 10.401 -5.390 -13.552 355 H GLU 41 H GLU 41 5.208 -3.758 -9.363 356 HA GLU 41 HA GLU 41 4.178 -2.119 -11.379 357 HB2 GLU 41 2HB GLU 41 2.810 -3.534 -9.901 358 HB3 GLU 41 3HB GLU 41 3.311 -2.612 -8.496 359 HG2 GLU 41 2HG GLU 41 1.061 -2.006 -8.989 360 HG3 GLU 41 3HG GLU 41 2.085 -0.632 -9.399 361 H ILE 42 H ILE 42 5.194 -1.298 -8.096 362 HA ILE 42 HA ILE 42 4.852 1.429 -7.955 363 HB ILE 42 HB ILE 42 6.909 -0.395 -6.649 364 HG12 ILE 42 2HG1 ILE 42 4.504 1.019 -5.393 365 HG13 ILE 42 3HG1 ILE 42 4.457 -0.627 -6.016 366 HG21 ILE 42 1HG2 ILE 42 7.467 1.426 -5.059 367 HG22 ILE 42 2HG2 ILE 42 6.507 2.552 -6.020 368 HG23 ILE 42 3HG2 ILE 42 7.951 1.811 -6.708 369 HD11 ILE 42 3HD1 ILE 42 4.701 -0.615 -3.607 370 HD12 ILE 42 1HD1 ILE 42 6.174 0.347 -3.726 371 HD13 ILE 42 2HD1 ILE 42 6.141 -1.303 -4.358 372 H GLN 43 H GLN 43 7.775 -0.355 -8.997 373 HA GLN 43 HA GLN 43 9.379 1.964 -9.434 374 HB2 GLN 43 2HB GLN 43 9.746 -0.899 -10.404 375 HB3 GLN 43 3HB GLN 43 10.990 0.353 -10.471 376 HG2 GLN 43 2HG GLN 43 11.041 0.493 -8.049 377 HG3 GLN 43 3HG GLN 43 9.708 -0.647 -7.906 378 HE21 GLN 43 1HE2 GLN 43 10.088 -2.847 -8.474 379 HE22 GLN 43 2HE2 GLN 43 11.681 -3.512 -8.457 380 H LYS 44 H LYS 44 7.355 -0.036 -11.540 381 HA LYS 44 HA LYS 44 8.043 0.929 -14.067 382 HB2 LYS 44 2HB LYS 44 5.454 -0.179 -12.950 383 HB3 LYS 44 3HB LYS 44 5.512 0.404 -14.610 384 HG2 LYS 44 2HG LYS 44 7.306 -1.776 -13.494 385 HG3 LYS 44 3HG LYS 44 5.807 -2.063 -14.388 386 HD2 LYS 44 2HD LYS 44 6.821 -0.771 -16.329 387 HD3 LYS 44 3HD LYS 44 8.344 -0.725 -15.434 388 HE2 LYS 44 2HE LYS 44 8.349 -2.541 -17.098 389 HE3 LYS 44 3HE LYS 44 8.428 -3.194 -15.463 390 HZ1 LYS 44 3HZ LYS 44 6.875 -4.389 -16.923 391 HZ2 LYS 44 1HZ LYS 44 5.941 -2.988 -17.063 392 HZ3 LYS 44 2HZ LYS 44 6.114 -3.741 -15.561 393 H LYS 45 H LYS 45 5.605 2.172 -11.772 394 HA LYS 45 HA LYS 45 5.079 4.538 -13.439 395 HB2 LYS 45 2HB LYS 45 4.010 3.722 -10.707 396 HB3 LYS 45 3HB LYS 45 3.439 5.109 -11.640 397 HG2 LYS 45 2HG LYS 45 2.596 3.679 -13.391 398 HG3 LYS 45 3HG LYS 45 3.330 2.250 -12.658 399 HD2 LYS 45 2HD LYS 45 1.042 3.899 -11.503 400 HD3 LYS 45 3HD LYS 45 0.911 2.309 -12.264 401 HE2 LYS 45 2HE LYS 45 2.584 1.533 -10.401 402 HE3 LYS 45 3HE LYS 45 2.102 3.025 -9.582 403 HZ1 LYS 45 3HZ LYS 45 -0.205 2.261 -9.777 404 HZ2 LYS 45 1HZ LYS 45 0.749 1.229 -8.847 405 HZ3 LYS 45 2HZ LYS 45 0.343 0.798 -10.427 406 H GLY 46 H GLY 46 7.180 3.710 -10.839 407 HA2 GLY 46 2HA GLY 46 8.756 4.906 -9.666 408 HA3 GLY 46 3HA GLY 46 8.383 6.310 -10.663 409 H VAL 47 H VAL 47 6.521 4.322 -8.334 410 HA VAL 47 HA VAL 47 4.995 6.555 -7.375 411 HB VAL 47 HB VAL 47 5.195 3.741 -6.199 412 HG11 VAL 47 1HG1 VAL 47 3.016 4.219 -5.117 413 HG12 VAL 47 2HG1 VAL 47 3.061 5.869 -5.744 414 HG13 VAL 47 3HG1 VAL 47 4.263 5.341 -4.564 415 HG21 VAL 47 3HG2 VAL 47 3.121 3.233 -7.437 416 HG22 VAL 47 1HG2 VAL 47 4.427 3.666 -8.543 417 HG23 VAL 47 2HG2 VAL 47 3.154 4.835 -8.177 418 H GLN 48 H GLN 48 5.274 7.723 -5.527 419 HA GLN 48 HA GLN 48 7.922 7.733 -4.324 420 HB2 GLN 48 2HB GLN 48 6.893 9.826 -5.173 421 HB3 GLN 48 3HB GLN 48 5.563 9.644 -4.037 422 HG2 GLN 48 2HG GLN 48 7.134 9.938 -2.150 423 HG3 GLN 48 3HG GLN 48 8.474 10.094 -3.288 424 HE21 GLN 48 1HE2 GLN 48 8.959 12.179 -2.489 425 HE22 GLN 48 2HE2 GLN 48 7.980 13.552 -2.868 426 H LYS 49 H LYS 49 4.531 7.686 -3.194 427 HA LYS 49 HA LYS 49 5.394 6.708 -0.528 428 HB2 LYS 49 2HB LYS 49 3.060 8.505 -1.310 429 HB3 LYS 49 3HB LYS 49 3.299 7.846 0.308 430 HG2 LYS 49 2HG LYS 49 5.386 9.077 0.554 431 HG3 LYS 49 3HG LYS 49 5.271 9.684 -1.103 432 HD2 LYS 49 2HD LYS 49 3.196 10.247 1.058 433 HD3 LYS 49 3HD LYS 49 4.567 11.309 0.720 434 HE2 LYS 49 2HE LYS 49 2.468 10.542 -1.348 435 HE3 LYS 49 3HE LYS 49 2.435 12.025 -0.390 436 HZ1 LYS 49 3HZ LYS 49 4.646 11.248 -2.208 437 HZ2 LYS 49 1HZ LYS 49 4.507 12.700 -1.359 438 HZ3 LYS 49 2HZ LYS 49 3.415 12.335 -2.596 439 H VAL 50 H VAL 50 4.463 4.911 0.251 440 HA VAL 50 HA VAL 50 2.111 3.685 -1.055 441 HB VAL 50 HB VAL 50 4.719 2.248 -0.338 442 HG11 VAL 50 1HG1 VAL 50 2.118 1.027 -1.354 443 HG12 VAL 50 2HG1 VAL 50 2.804 0.806 0.256 444 HG13 VAL 50 3HG1 VAL 50 3.646 0.160 -1.154 445 HG21 VAL 50 3HG2 VAL 50 3.358 2.621 -3.042 446 HG22 VAL 50 1HG2 VAL 50 4.836 1.696 -2.753 447 HG23 VAL 50 2HG2 VAL 50 4.826 3.440 -2.501 448 H VAL 51 H VAL 51 0.618 3.051 0.387 449 HA VAL 51 HA VAL 51 1.155 3.138 3.275 450 HB VAL 51 HB VAL 51 -1.503 2.911 1.786 451 HG11 VAL 51 1HG1 VAL 51 -0.981 3.391 4.749 452 HG12 VAL 51 2HG1 VAL 51 -1.630 1.913 4.040 453 HG13 VAL 51 3HG1 VAL 51 -2.568 3.404 3.967 454 HG21 VAL 51 3HG2 VAL 51 -0.421 5.098 1.428 455 HG22 VAL 51 1HG2 VAL 51 -0.270 5.320 3.174 456 HG23 VAL 51 2HG2 VAL 51 -1.869 5.261 2.422 457 H LEU 52 H LEU 52 1.775 1.251 4.142 458 HA LEU 52 HA LEU 52 0.950 -1.329 3.007 459 HB2 LEU 52 2HB LEU 52 3.153 -0.559 4.956 460 HB3 LEU 52 3HB LEU 52 2.812 -2.213 4.471 461 HG LEU 52 HG LEU 52 3.646 -0.007 2.529 462 HD11 LEU 52 1HD1 LEU 52 5.828 -1.070 2.408 463 HD12 LEU 52 2HD1 LEU 52 5.354 -2.234 3.648 464 HD13 LEU 52 3HD1 LEU 52 5.489 -0.522 4.047 465 HD21 LEU 52 3HD2 LEU 52 4.003 -1.834 0.918 466 HD22 LEU 52 1HD2 LEU 52 2.323 -1.738 1.437 467 HD23 LEU 52 2HD2 LEU 52 3.373 -2.996 2.090 468 H VAL 53 H VAL 53 -1.007 -1.804 3.801 469 HA VAL 53 HA VAL 53 -1.691 -1.502 6.654 470 HB VAL 53 HB VAL 53 -3.598 -2.117 4.345 471 HG11 VAL 53 1HG1 VAL 53 -4.461 -2.754 6.571 472 HG12 VAL 53 2HG1 VAL 53 -5.380 -1.402 5.912 473 HG13 VAL 53 3HG1 VAL 53 -4.171 -1.118 7.168 474 HG21 VAL 53 3HG2 VAL 53 -3.004 0.613 5.552 475 HG22 VAL 53 1HG2 VAL 53 -4.267 0.264 4.367 476 HG23 VAL 53 2HG2 VAL 53 -2.568 0.080 3.927 477 H GLY 54 H GLY 54 -1.577 -3.278 7.856 478 HA2 GLY 54 2HA GLY 54 -1.888 -5.390 8.674 479 HA3 GLY 54 3HA GLY 54 -2.954 -5.679 7.310 480 H VAL 55 H VAL 55 0.384 -4.827 6.681 481 HA VAL 55 HA VAL 55 0.741 -7.392 5.320 482 HB VAL 55 HB VAL 55 2.687 -6.386 4.218 483 HG11 VAL 55 1HG1 VAL 55 1.619 -4.535 2.982 484 HG12 VAL 55 2HG1 VAL 55 0.370 -4.413 4.225 485 HG13 VAL 55 3HG1 VAL 55 0.488 -5.869 3.231 486 HG21 VAL 55 3HG2 VAL 55 3.628 -5.091 6.088 487 HG22 VAL 55 1HG2 VAL 55 2.273 -3.958 6.014 488 HG23 VAL 55 2HG2 VAL 55 3.424 -4.052 4.679 489 H SER 56 H SER 56 2.641 -8.665 5.583 490 HA SER 56 HA SER 56 3.837 -9.060 8.084 491 HB2 SER 56 2HB SER 56 3.979 -10.820 6.422 492 HB3 SER 56 3HB SER 56 4.706 -9.740 5.235 493 HG SER 56 HG SER 56 5.870 -11.032 7.428 494 H GLU 57 H GLU 57 5.498 -7.975 9.102 495 HA GLU 57 HA GLU 57 6.445 -5.479 8.093 496 HB2 GLU 57 2HB GLU 57 7.785 -5.354 10.174 497 HB3 GLU 57 3HB GLU 57 6.098 -5.755 10.478 498 HG2 GLU 57 2HG GLU 57 6.748 -8.148 10.726 499 HG3 GLU 57 3HG GLU 57 8.445 -7.684 10.541 500 H LYS 58 H LYS 58 7.658 -8.734 7.955 501 HA LYS 58 HA LYS 58 10.350 -8.264 7.197 502 HB2 LYS 58 2HB LYS 58 9.561 -10.496 7.851 503 HB3 LYS 58 3HB LYS 58 8.451 -10.549 6.487 504 HG2 LYS 58 2HG LYS 58 10.318 -10.675 4.913 505 HG3 LYS 58 3HG LYS 58 11.481 -10.449 6.221 506 HD2 LYS 58 2HD LYS 58 11.377 -12.805 5.554 507 HD3 LYS 58 3HD LYS 58 10.812 -12.607 7.213 508 HE2 LYS 58 2HE LYS 58 9.371 -14.185 6.041 509 HE3 LYS 58 3HE LYS 58 8.451 -12.722 6.379 510 HZ1 LYS 58 3HZ LYS 58 8.923 -12.009 4.088 511 HZ2 LYS 58 1HZ LYS 58 8.021 -13.436 4.171 512 HZ3 LYS 58 2HZ LYS 58 9.664 -13.499 3.796 513 H LEU 59 H LEU 59 7.318 -8.498 5.341 514 HA LEU 59 HA LEU 59 8.458 -8.017 2.750 515 HB2 LEU 59 2HB LEU 59 5.590 -7.762 3.742 516 HB3 LEU 59 3HB LEU 59 6.060 -7.575 2.056 517 HG LEU 59 HG LEU 59 6.285 -10.122 3.711 518 HD11 LEU 59 1HD1 LEU 59 3.987 -9.605 3.075 519 HD12 LEU 59 2HD1 LEU 59 4.580 -11.014 2.201 520 HD13 LEU 59 3HD1 LEU 59 4.468 -9.454 1.381 521 HD21 LEU 59 3HD2 LEU 59 7.054 -9.663 0.803 522 HD22 LEU 59 1HD2 LEU 59 7.024 -11.225 1.631 523 HD23 LEU 59 2HD2 LEU 59 8.164 -9.985 2.139 524 H LEU 60 H LEU 60 7.020 -5.999 5.251 525 HA LEU 60 HA LEU 60 6.646 -3.581 3.945 526 HB2 LEU 60 2HB LEU 60 5.748 -4.064 6.126 527 HB3 LEU 60 3HB LEU 60 7.339 -4.266 6.811 528 HG LEU 60 HG LEU 60 6.612 -1.532 5.765 529 HD11 LEU 60 1HD1 LEU 60 5.621 -2.578 8.431 530 HD12 LEU 60 2HD1 LEU 60 4.615 -2.184 7.033 531 HD13 LEU 60 3HD1 LEU 60 5.517 -0.911 7.854 532 HD21 LEU 60 3HD2 LEU 60 8.226 -2.453 8.185 533 HD22 LEU 60 1HD2 LEU 60 7.991 -0.773 7.682 534 HD23 LEU 60 2HD2 LEU 60 8.885 -1.885 6.649 535 H GLN 61 H GLN 61 9.518 -4.736 5.673 536 HA GLN 61 HA GLN 61 11.234 -2.553 5.078 537 HB2 GLN 61 2HB GLN 61 11.894 -5.425 5.864 538 HB3 GLN 61 3HB GLN 61 13.039 -4.083 5.890 539 HG2 GLN 61 2HG GLN 61 11.824 -2.982 7.653 540 HG3 GLN 61 3HG GLN 61 10.491 -4.126 7.539 541 HE21 GLN 61 1HE2 GLN 61 10.779 -6.237 8.377 542 HE22 GLN 61 2HE2 GLN 61 12.022 -6.593 9.515 543 H LYS 62 H LYS 62 10.649 -5.672 3.496 544 HA LYS 62 HA LYS 62 12.732 -5.658 1.607 545 HB2 LYS 62 2HB LYS 62 11.449 -7.664 2.205 546 HB3 LYS 62 3HB LYS 62 9.989 -6.968 1.510 547 HG2 LYS 62 2HG LYS 62 10.953 -7.080 -0.731 548 HG3 LYS 62 3HG LYS 62 12.488 -7.659 -0.070 549 HD2 LYS 62 2HD LYS 62 11.378 -9.711 0.737 550 HD3 LYS 62 3HD LYS 62 9.827 -9.136 0.119 551 HE2 LYS 62 2HE LYS 62 10.904 -10.813 -1.375 552 HE3 LYS 62 3HE LYS 62 10.651 -9.259 -2.172 553 HZ1 LYS 62 3HZ LYS 62 13.222 -10.108 -0.963 554 HZ2 LYS 62 1HZ LYS 62 12.951 -8.728 -1.902 555 HZ3 LYS 62 2HZ LYS 62 12.848 -10.260 -2.602 556 H ILE 63 H ILE 63 9.461 -4.306 1.465 557 HA ILE 63 HA ILE 63 9.457 -3.566 -1.274 558 HB ILE 63 HB ILE 63 7.638 -3.054 1.077 559 HG12 ILE 63 2HG1 ILE 63 5.865 -3.855 -0.506 560 HG13 ILE 63 3HG1 ILE 63 7.051 -3.924 -1.799 561 HG21 ILE 63 1HG2 ILE 63 6.206 -1.450 -0.164 562 HG22 ILE 63 2HG2 ILE 63 7.445 -1.338 -1.420 563 HG23 ILE 63 3HG2 ILE 63 7.794 -0.777 0.216 564 HD11 ILE 63 3HD1 ILE 63 6.973 -5.644 0.668 565 HD12 ILE 63 1HD1 ILE 63 8.236 -5.700 -0.566 566 HD13 ILE 63 2HD1 ILE 63 6.574 -6.118 -0.982 567 H LYS 64 H LYS 64 10.227 -1.754 1.760 568 HA LYS 64 HA LYS 64 10.604 0.734 0.384 569 HB2 LYS 64 2HB LYS 64 11.398 1.673 2.477 570 HB3 LYS 64 3HB LYS 64 9.999 0.669 2.781 571 HG2 LYS 64 2HG LYS 64 11.365 0.153 4.594 572 HG3 LYS 64 3HG LYS 64 11.715 -1.165 3.478 573 HD2 LYS 64 2HD LYS 64 13.778 0.065 2.737 574 HD3 LYS 64 3HD LYS 64 13.436 1.312 3.937 575 HE2 LYS 64 2HE LYS 64 13.919 -1.611 4.612 576 HE3 LYS 64 3HE LYS 64 15.176 -0.379 4.610 577 HZ1 LYS 64 3HZ LYS 64 14.459 -0.591 6.810 578 HZ2 LYS 64 1HZ LYS 64 12.830 -0.551 6.378 579 HZ3 LYS 64 2HZ LYS 64 13.761 0.845 6.254 580 H GLN 65 H GLN 65 12.691 -2.017 0.958 581 HA GLN 65 HA GLN 65 15.158 -0.656 0.314 582 HB2 GLN 65 2HB GLN 65 14.437 -3.612 0.398 583 HB3 GLN 65 3HB GLN 65 16.060 -3.023 0.042 584 HG2 GLN 65 2HG GLN 65 16.122 -1.912 2.248 585 HG3 GLN 65 3HG GLN 65 14.526 -2.559 2.617 586 HE21 GLN 65 1HE2 GLN 65 14.311 -4.811 2.991 587 HE22 GLN 65 2HE2 GLN 65 15.679 -5.800 3.366 588 H GLU 66 H GLU 66 13.105 -2.959 -1.527 589 HA GLU 66 HA GLU 66 14.836 -2.759 -3.843 590 HB2 GLU 66 2HB GLU 66 12.291 -4.391 -3.464 591 HB3 GLU 66 3HB GLU 66 13.459 -4.574 -4.777 592 HG2 GLU 66 2HG GLU 66 15.201 -5.186 -3.115 593 HG3 GLU 66 3HG GLU 66 14.007 -5.062 -1.825 594 H ALA 67 H ALA 67 11.426 -1.954 -3.115 595 HA ALA 67 HA ALA 67 10.997 -0.657 -5.672 596 HB1 ALA 67 3HB ALA 67 9.125 -1.775 -4.519 597 HB2 ALA 67 1HB ALA 67 8.781 -0.064 -4.776 598 HB3 ALA 67 2HB ALA 67 9.258 -0.639 -3.175 599 H ASN 68 H ASN 68 11.981 0.275 -2.443 600 HA ASN 68 HA ASN 68 12.923 2.100 -1.560 601 HB2 ASN 68 2HB ASN 68 14.463 1.883 -3.496 602 HB3 ASN 68 3HB ASN 68 13.431 2.960 -4.434 603 HD21 ASN 68 1HD2 ASN 68 15.175 4.398 -4.721 604 HD22 ASN 68 2HD2 ASN 68 15.734 5.430 -3.452 605 H VAL 69 H VAL 69 10.698 2.482 -0.850 606 HA VAL 69 HA VAL 69 9.574 5.061 -1.808 607 HB VAL 69 HB VAL 69 7.266 4.151 -1.369 608 HG11 VAL 69 1HG1 VAL 69 8.130 4.242 -3.656 609 HG12 VAL 69 2HG1 VAL 69 7.083 2.838 -3.440 610 HG13 VAL 69 3HG1 VAL 69 8.838 2.633 -3.475 611 HG21 VAL 69 3HG2 VAL 69 8.673 1.448 -1.118 612 HG22 VAL 69 1HG2 VAL 69 6.924 1.695 -1.187 613 HG23 VAL 69 2HG2 VAL 69 7.848 2.310 0.185 614 H GLN 70 H GLN 70 8.145 6.107 -0.292 615 HA GLN 70 HA GLN 70 8.907 6.038 2.480 616 HB2 GLN 70 2HB GLN 70 6.508 7.461 1.222 617 HB3 GLN 70 3HB GLN 70 7.291 7.845 2.757 618 HG2 GLN 70 2HG GLN 70 8.503 8.190 -0.006 619 HG3 GLN 70 3HG GLN 70 7.838 9.479 0.992 620 HE21 GLN 70 1HE2 GLN 70 9.032 10.205 2.773 621 HE22 GLN 70 2HE2 GLN 70 10.700 9.810 2.993 622 H VAL 71 H VAL 71 7.979 4.770 3.997 623 HA VAL 71 HA VAL 71 5.717 3.013 3.319 624 HB VAL 71 HB VAL 71 7.718 2.956 5.633 625 HG11 VAL 71 1HG1 VAL 71 6.733 0.739 6.254 626 HG12 VAL 71 2HG1 VAL 71 5.462 0.985 5.053 627 HG13 VAL 71 3HG1 VAL 71 5.570 2.056 6.448 628 HG21 VAL 71 3HG2 VAL 71 8.593 0.921 4.542 629 HG22 VAL 71 1HG2 VAL 71 8.663 2.301 3.441 630 HG23 VAL 71 2HG2 VAL 71 7.396 1.086 3.254 631 H TYR 72 H TYR 72 3.751 3.214 4.257 632 HA TYR 72 HA TYR 72 3.434 4.827 6.725 633 HB2 TYR 72 2HB TYR 72 1.604 4.855 4.274 634 HB3 TYR 72 3HB TYR 72 1.218 5.623 5.816 635 HD1 TYR 72 HD1 TYR 72 2.613 7.557 6.632 636 HD2 TYR 72 HD2 TYR 72 3.127 5.935 2.706 637 HE1 TYR 72 HE1 TYR 72 3.880 9.555 5.972 638 HE2 TYR 72 HE2 TYR 72 4.389 7.928 2.054 639 HH TYR 72 HH TYR 72 5.582 10.177 4.292 640 H ARG 73 H ARG 73 3.098 3.278 8.203 641 HA ARG 73 HA ARG 73 1.625 0.830 7.614 642 HB2 ARG 73 2HB ARG 73 3.696 0.873 9.097 643 HB3 ARG 73 3HB ARG 73 2.755 1.750 10.295 644 HG2 ARG 73 2HG ARG 73 2.762 -0.567 10.954 645 HG3 ARG 73 3HG ARG 73 1.138 -0.209 10.353 646 HD2 ARG 73 2HD ARG 73 1.809 -1.191 8.135 647 HD3 ARG 73 3HD ARG 73 3.358 -1.632 8.839 648 HE ARG 73 HE ARG 73 0.784 -2.890 9.304 649 HH11 ARG 73 1HH1 ARG 73 4.177 -2.799 10.231 650 HH12 ARG 73 2HH1 ARG 73 4.122 -4.362 10.981 651 HH21 ARG 73 1HH2 ARG 73 0.735 -4.914 10.297 652 HH22 ARG 73 2HH2 ARG 73 2.177 -5.556 11.015 653 H VAL 74 H VAL 74 -0.555 0.699 7.888 654 HA VAL 74 HA VAL 74 -1.901 2.563 9.786 655 HB VAL 74 HB VAL 74 -2.765 1.693 6.991 656 HG11 VAL 74 1HG1 VAL 74 -4.913 2.862 7.349 657 HG12 VAL 74 2HG1 VAL 74 -4.478 3.163 9.032 658 HG13 VAL 74 3HG1 VAL 74 -4.739 1.511 8.470 659 HG21 VAL 74 3HG2 VAL 74 -1.262 3.656 7.071 660 HG22 VAL 74 1HG2 VAL 74 -2.355 4.464 8.202 661 HG23 VAL 74 2HG2 VAL 74 -2.877 4.140 6.547 662 H THR 75 H THR 75 -3.012 1.564 11.324 663 HA THR 75 HA THR 75 -3.980 -1.215 10.980 664 HB THR 75 HB THR 75 -4.002 -1.292 13.516 665 HG1 THR 75 HG1 THR 75 -3.605 1.304 13.325 666 HG21 THR 75 3HG2 THR 75 -1.567 -1.562 13.816 667 HG22 THR 75 1HG2 THR 75 -1.278 -0.702 12.296 668 HG23 THR 75 2HG2 THR 75 -2.092 -2.270 12.287 669 H SER 76 H SER 76 -4.917 2.077 11.436 670 HA SER 76 HA SER 76 -7.745 1.325 11.933 671 HB2 SER 76 2HB SER 76 -6.675 2.143 14.054 672 HB3 SER 76 3HB SER 76 -6.254 3.653 13.246 673 HG SER 76 HG SER 76 -8.146 4.064 14.253 674 H ASN 77 H ASN 77 -9.294 2.717 10.985 675 HA ASN 77 HA ASN 77 -8.684 3.725 8.418 676 HB2 ASN 77 2HB ASN 77 -11.159 4.326 10.106 677 HB3 ASN 77 3HB ASN 77 -11.012 4.601 8.369 678 HD21 ASN 77 1HD2 ASN 77 -11.448 2.228 10.871 679 HD22 ASN 77 2HD2 ASN 77 -11.803 0.897 9.831 680 H ASP 78 H ASP 78 -8.741 5.239 11.533 681 HA ASP 78 HA ASP 78 -8.824 7.960 11.106 682 HB2 ASP 78 2HB ASP 78 -6.935 6.420 12.964 683 HB3 ASP 78 3HB ASP 78 -7.279 8.147 13.089 684 H GLU 79 H GLU 79 -5.991 5.839 11.051 685 HA GLU 79 HA GLU 79 -4.053 7.812 10.382 686 HB2 GLU 79 2HB GLU 79 -3.844 4.775 10.175 687 HB3 GLU 79 3HB GLU 79 -2.497 5.915 10.267 688 HG2 GLU 79 2HG GLU 79 -3.067 6.503 12.546 689 HG3 GLU 79 3HG GLU 79 -4.555 5.560 12.476 690 H LEU 80 H LEU 80 -5.864 5.383 8.558 691 HA LEU 80 HA LEU 80 -4.566 5.467 6.074 692 HB2 LEU 80 2HB LEU 80 -6.302 3.789 6.790 693 HB3 LEU 80 3HB LEU 80 -7.534 5.013 6.629 694 HG LEU 80 HG LEU 80 -7.313 3.234 4.753 695 HD11 LEU 80 1HD1 LEU 80 -7.962 4.730 2.971 696 HD12 LEU 80 2HD1 LEU 80 -7.379 6.120 3.889 697 HD13 LEU 80 3HD1 LEU 80 -8.748 5.176 4.484 698 HD21 LEU 80 3HD2 LEU 80 -5.695 3.636 2.982 699 HD22 LEU 80 1HD2 LEU 80 -4.856 3.349 4.508 700 HD23 LEU 80 2HD2 LEU 80 -5.006 4.994 3.877 701 H GLU 81 H GLU 81 -7.367 7.298 7.282 702 HA GLU 81 HA GLU 81 -7.781 8.885 4.999 703 HB2 GLU 81 2HB GLU 81 -8.568 9.326 7.900 704 HB3 GLU 81 3HB GLU 81 -9.109 10.365 6.578 705 HG2 GLU 81 2HG GLU 81 -10.192 8.411 5.503 706 HG3 GLU 81 3HG GLU 81 -9.676 7.393 6.852 707 H GLN 82 H GLN 82 -5.760 9.419 7.916 708 HA GLN 82 HA GLN 82 -5.178 12.147 7.424 709 HB2 GLN 82 2HB GLN 82 -3.468 10.135 8.938 710 HB3 GLN 82 3HB GLN 82 -3.242 11.884 8.966 711 HG2 GLN 82 2HG GLN 82 -5.528 10.277 10.128 712 HG3 GLN 82 3HG GLN 82 -4.368 11.291 10.980 713 HE21 GLN 82 1HE2 GLN 82 -7.315 11.229 9.131 714 HE22 GLN 82 2HE2 GLN 82 -7.745 12.885 9.363 715 H VAL 83 H VAL 83 -3.472 9.177 6.465 716 HA VAL 83 HA VAL 83 -1.253 10.455 5.236 717 HB VAL 83 HB VAL 83 -2.329 7.640 4.716 718 HG11 VAL 83 1HG1 VAL 83 -0.040 7.167 3.823 719 HG12 VAL 83 2HG1 VAL 83 0.374 8.873 4.011 720 HG13 VAL 83 3HG1 VAL 83 -0.877 8.390 2.863 721 HG21 VAL 83 3HG2 VAL 83 -1.688 7.999 7.090 722 HG22 VAL 83 1HG2 VAL 83 -0.101 8.584 6.582 723 HG23 VAL 83 2HG2 VAL 83 -0.555 6.901 6.300 724 H VAL 84 H VAL 84 -4.206 8.964 3.806 725 HA VAL 84 HA VAL 84 -3.565 9.537 1.125 726 HB VAL 84 HB VAL 84 -6.400 9.178 2.224 727 HG11 VAL 84 1HG1 VAL 84 -6.943 8.475 -0.116 728 HG12 VAL 84 2HG1 VAL 84 -5.296 8.872 -0.607 729 HG13 VAL 84 3HG1 VAL 84 -6.380 10.145 -0.044 730 HG21 VAL 84 3HG2 VAL 84 -4.953 7.232 2.808 731 HG22 VAL 84 1HG2 VAL 84 -4.515 7.048 1.108 732 HG23 VAL 84 2HG2 VAL 84 -6.182 6.786 1.626 733 H LYS 85 H LYS 85 -5.597 11.342 3.441 734 HA LYS 85 HA LYS 85 -6.376 13.396 1.637 735 HB2 LYS 85 2HB LYS 85 -6.430 13.260 4.665 736 HB3 LYS 85 3HB LYS 85 -7.068 14.629 3.755 737 HG2 LYS 85 2HG LYS 85 -8.737 13.226 2.696 738 HG3 LYS 85 3HG LYS 85 -8.040 11.774 3.426 739 HD2 LYS 85 2HD LYS 85 -8.636 12.603 5.679 740 HD3 LYS 85 3HD LYS 85 -9.305 14.080 4.971 741 HE2 LYS 85 2HE LYS 85 -11.028 12.780 3.831 742 HE3 LYS 85 3HE LYS 85 -10.323 11.273 4.415 743 HZ1 LYS 85 3HZ LYS 85 -10.910 11.820 6.621 744 HZ2 LYS 85 1HZ LYS 85 -12.283 12.050 5.661 745 HZ3 LYS 85 2HZ LYS 85 -11.387 13.383 6.190 746 H ASP 86 H ASP 86 -3.477 12.922 3.502 747 HA ASP 86 HA ASP 86 -2.552 15.644 3.334 748 HB2 ASP 86 2HB ASP 86 -1.726 14.015 5.055 749 HB3 ASP 86 3HB ASP 86 -0.953 13.083 3.775 750 H VAL 87 H VAL 87 -2.341 12.741 1.346 751 HA VAL 87 HA VAL 87 -0.351 13.727 -0.505 752 HB VAL 87 HB VAL 87 -2.217 11.318 -0.774 753 HG11 VAL 87 1HG1 VAL 87 -1.276 11.992 -2.956 754 HG12 VAL 87 2HG1 VAL 87 -0.569 10.463 -2.430 755 HG13 VAL 87 3HG1 VAL 87 0.355 11.962 -2.279 756 HG21 VAL 87 3HG2 VAL 87 -0.283 9.964 0.030 757 HG22 VAL 87 1HG2 VAL 87 -0.813 11.130 1.244 758 HG23 VAL 87 2HG2 VAL 87 0.636 11.448 0.295 759 H LYS 88 H LYS 88 -3.909 13.312 -0.624 760 HA LYS 88 HA LYS 88 -4.116 14.357 -3.330 761 HB2 LYS 88 2HB LYS 88 -6.574 13.971 -3.071 762 HB3 LYS 88 3HB LYS 88 -5.619 12.530 -2.753 763 HG2 LYS 88 2HG LYS 88 -5.968 12.692 -0.394 764 HG3 LYS 88 3HG LYS 88 -6.638 14.315 -0.525 765 HD2 LYS 88 2HD LYS 88 -7.955 11.817 -1.666 766 HD3 LYS 88 3HD LYS 88 -8.334 12.509 -0.085 767 HE2 LYS 88 2HE LYS 88 -8.981 14.649 -1.245 768 HE3 LYS 88 3HE LYS 88 -8.739 13.834 -2.793 769 HZ1 LYS 88 3HZ LYS 88 -10.439 12.229 -2.125 770 HZ2 LYS 88 1HZ LYS 88 -11.035 13.805 -2.200 771 HZ3 LYS 88 2HZ LYS 88 -10.705 13.101 -0.702 772 H GLY 89 H GLY 89 -4.620 15.513 -0.057 773 HA2 GLY 89 2HA GLY 89 -4.848 17.866 0.467 774 HA3 GLY 89 3HA GLY 89 -5.762 18.088 -1.020 775 H SER 90 H SER 90 -6.107 17.891 2.234 776 HA SER 90 HA SER 90 -8.305 16.135 2.635 777 HB2 SER 90 2HB SER 90 -7.421 18.494 4.358 778 HB3 SER 90 3HB SER 90 -8.431 17.143 4.871 779 HG SER 90 HG SER 90 -6.037 16.395 3.745 780 H GLY 91 H GLY 91 -8.077 19.536 1.782 781 HA2 GLY 91 2HA GLY 91 -9.598 21.080 1.071 782 HA3 GLY 91 3HA GLY 91 -10.688 19.742 0.730 783 H LEU 92 H LEU 92 -12.597 20.275 1.640 784 HA LEU 92 HA LEU 92 -12.677 20.958 4.527 785 HB2 LEU 92 2HB LEU 92 -14.675 21.699 2.341 786 HB3 LEU 92 3HB LEU 92 -14.924 21.986 4.058 787 HG LEU 92 HG LEU 92 -12.768 23.286 2.336 788 HD11 LEU 92 1HD1 LEU 92 -15.280 24.497 3.523 789 HD12 LEU 92 2HD1 LEU 92 -14.985 24.152 1.817 790 HD13 LEU 92 3HD1 LEU 92 -14.015 25.366 2.645 791 HD21 LEU 92 3HD2 LEU 92 -13.405 23.749 5.274 792 HD22 LEU 92 1HD2 LEU 92 -12.266 24.687 4.303 793 HD23 LEU 92 2HD2 LEU 92 -11.950 22.986 4.625 794 H GLU 93 H GLU 93 -14.669 20.183 5.584 795 HA GLU 93 HA GLU 93 -15.987 18.588 6.401 796 HB2 GLU 93 2HB GLU 93 -17.109 18.914 4.091 797 HB3 GLU 93 3HB GLU 93 -16.312 17.417 3.618 798 HG2 GLU 93 2HG GLU 93 -17.479 16.292 5.568 799 HG3 GLU 93 3HG GLU 93 -18.394 17.780 5.803 800 H HIS 94 H HIS 94 -13.024 18.112 5.941 801 HA HIS 94 HA HIS 94 -12.801 15.211 5.926 802 HB2 HIS 94 2HB HIS 94 -10.380 15.601 6.476 803 HB3 HIS 94 3HB HIS 94 -10.905 16.394 5.004 804 HD1 HIS 94 HD1 HIS 94 -10.954 19.016 5.010 805 HD2 HIS 94 HD2 HIS 94 -9.420 17.298 8.469 806 HE1 HIS 94 HE1 HIS 94 -9.701 20.844 6.180 807 HE2 HIS 94 HE2 HIS 94 -8.626 19.727 8.164 808 H HIS 95 H HIS 95 -14.009 14.409 7.509 809 HA HIS 95 HA HIS 95 -14.628 15.631 9.934 810 HB2 HIS 95 2HB HIS 95 -15.633 13.426 10.598 811 HB3 HIS 95 3HB HIS 95 -16.137 13.990 9.014 812 HD1 HIS 95 HD1 HIS 95 -16.235 12.164 7.349 813 HD2 HIS 95 HD2 HIS 95 -13.350 11.397 10.238 814 HE1 HIS 95 HE1 HIS 95 -15.320 9.892 6.817 815 HE2 HIS 95 HE2 HIS 95 -13.484 9.518 8.488 816 H HIS 96 H HIS 96 -13.997 15.360 12.031 817 HA HIS 96 HA HIS 96 -11.256 14.444 12.486 818 HB2 HIS 96 2HB HIS 96 -13.167 15.949 14.331 819 HB3 HIS 96 3HB HIS 96 -11.466 15.635 14.656 820 HD1 HIS 96 HD1 HIS 96 -12.657 18.502 14.553 821 HD2 HIS 96 HD2 HIS 96 -10.730 16.635 11.386 822 HE1 HIS 96 HE1 HIS 96 -11.806 20.352 13.096 823 HE2 HIS 96 HE2 HIS 96 -10.504 19.198 11.278 824 H HIS 97 H HIS 97 -10.716 12.744 13.792 825 HA HIS 97 HA HIS 97 -12.860 10.894 14.568 826 HB2 HIS 97 2HB HIS 97 -9.884 10.581 14.122 827 HB3 HIS 97 3HB HIS 97 -10.747 9.388 15.083 828 HD1 HIS 97 HD1 HIS 97 -11.929 7.590 13.859 829 HD2 HIS 97 HD2 HIS 97 -10.871 10.731 11.354 830 HE1 HIS 97 HE1 HIS 97 -12.440 6.800 11.533 831 HE2 HIS 97 HE2 HIS 97 -11.557 8.618 10.048 832 H HIS 98 H HIS 98 -13.606 10.894 16.523 833 HA HIS 98 HA HIS 98 -11.854 11.352 18.883 834 HB2 HIS 98 2HB HIS 98 -13.855 12.166 20.103 835 HB3 HIS 98 3HB HIS 98 -13.553 13.152 18.680 836 HD1 HIS 98 HD1 HIS 98 -15.238 12.826 16.645 837 HD2 HIS 98 HD2 HIS 98 -16.345 10.921 20.153 838 HE1 HIS 98 HE1 HIS 98 -17.657 12.249 16.363 839 HE2 HIS 98 HE2 HIS 98 -18.233 10.917 18.418 840 H HIS 99 H HIS 99 -11.631 9.009 17.885 841 HA HIS 99 HA HIS 99 -11.909 6.770 17.921 842 HB2 HIS 99 2HB HIS 99 -14.379 7.278 19.627 843 HB3 HIS 99 3HB HIS 99 -14.030 5.688 18.965 844 HD1 HIS 99 HD1 HIS 99 -13.413 4.400 20.991 845 HD2 HIS 99 HD2 HIS 99 -11.450 8.061 20.863 846 HE1 HIS 99 HE1 HIS 99 -11.827 4.392 22.937 847 HE2 HIS 99 HE2 HIS 99 -10.561 6.557 22.761 Start of MODEL 8 1 H1 MET 1 1H MET 1 1.487 15.752 -9.761 2 H2 MET 1 2H MET 1 0.950 16.258 -8.245 3 H3 MET 1 3H MET 1 -0.006 16.532 -9.609 4 HA MET 1 HA MET 1 -0.871 14.715 -8.305 5 HB2 MET 1 2HB MET 1 0.351 13.842 -10.969 6 HB3 MET 1 3HB MET 1 -0.900 12.948 -10.106 7 HG2 MET 1 2HG MET 1 -1.890 14.252 -11.911 8 HG3 MET 1 3HG MET 1 -2.432 14.862 -10.348 9 HE1 MET 1 3HE MET 1 -2.263 18.150 -12.539 10 HE2 MET 1 1HE MET 1 -3.307 17.100 -11.582 11 HE3 MET 1 2HE MET 1 -2.698 16.553 -13.145 12 H GLY 2 H GLY 2 0.008 13.854 -6.509 13 HA2 GLY 2 2HA GLY 2 2.450 12.201 -6.619 14 HA3 GLY 2 3HA GLY 2 1.598 12.742 -5.173 15 H ARG 3 H ARG 3 2.169 10.068 -7.070 16 HA ARG 3 HA ARG 3 -0.416 8.838 -7.018 17 HB2 ARG 3 2HB ARG 3 1.440 8.354 -8.705 18 HB3 ARG 3 3HB ARG 3 2.255 7.445 -7.440 19 HG2 ARG 3 2HG ARG 3 1.111 5.840 -8.759 20 HG3 ARG 3 3HG ARG 3 0.157 6.002 -7.286 21 HD2 ARG 3 2HD ARG 3 -0.492 7.420 -9.894 22 HD3 ARG 3 3HD ARG 3 -1.182 5.874 -9.411 23 HE ARG 3 HE ARG 3 -1.606 8.403 -7.922 24 HH11 ARG 3 1HH1 ARG 3 -2.878 5.387 -9.221 25 HH12 ARG 3 2HH1 ARG 3 -4.460 5.656 -8.559 26 HH21 ARG 3 1HH2 ARG 3 -3.659 8.683 -7.039 27 HH22 ARG 3 2HH2 ARG 3 -4.891 7.504 -7.335 28 H LEU 4 H LEU 4 -1.348 7.806 -5.340 29 HA LEU 4 HA LEU 4 0.337 6.675 -3.188 30 HB2 LEU 4 2HB LEU 4 -1.439 8.401 -2.589 31 HB3 LEU 4 3HB LEU 4 -2.651 7.243 -3.114 32 HG LEU 4 HG LEU 4 -1.720 5.627 -1.357 33 HD11 LEU 4 1HD1 LEU 4 0.478 6.632 -1.021 34 HD12 LEU 4 2HD1 LEU 4 -0.410 6.568 0.496 35 HD13 LEU 4 3HD1 LEU 4 -0.261 8.098 -0.371 36 HD21 LEU 4 3HD2 LEU 4 -3.811 6.849 -0.987 37 HD22 LEU 4 1HD2 LEU 4 -2.913 8.213 -0.313 38 HD23 LEU 4 2HD2 LEU 4 -2.912 6.653 0.515 39 H VAL 5 H VAL 5 0.585 4.521 -3.252 40 HA VAL 5 HA VAL 5 -1.612 2.800 -4.273 41 HB VAL 5 HB VAL 5 1.328 2.083 -3.816 42 HG11 VAL 5 1HG1 VAL 5 -0.105 0.143 -3.343 43 HG12 VAL 5 2HG1 VAL 5 0.776 -0.111 -4.849 44 HG13 VAL 5 3HG1 VAL 5 -0.930 0.341 -4.893 45 HG21 VAL 5 3HG2 VAL 5 0.987 3.495 -5.809 46 HG22 VAL 5 1HG2 VAL 5 -0.212 2.353 -6.421 47 HG23 VAL 5 2HG2 VAL 5 1.476 1.862 -6.261 48 H VAL 6 H VAL 6 -2.888 2.109 -2.661 49 HA VAL 6 HA VAL 6 -1.848 1.833 0.083 50 HB VAL 6 HB VAL 6 -4.726 1.654 -0.944 51 HG11 VAL 6 1HG1 VAL 6 -5.396 1.798 1.428 52 HG12 VAL 6 2HG1 VAL 6 -3.701 1.753 1.917 53 HG13 VAL 6 3HG1 VAL 6 -4.426 0.357 1.117 54 HG21 VAL 6 3HG2 VAL 6 -5.062 3.886 0.052 55 HG22 VAL 6 1HG2 VAL 6 -3.833 3.928 -1.215 56 HG23 VAL 6 2HG2 VAL 6 -3.351 3.961 0.483 57 H VAL 7 H VAL 7 -0.742 -0.079 0.060 58 HA VAL 7 HA VAL 7 -1.814 -2.511 -1.115 59 HB VAL 7 HB VAL 7 0.605 -2.147 0.709 60 HG11 VAL 7 1HG1 VAL 7 -0.120 -4.468 -1.105 61 HG12 VAL 7 2HG1 VAL 7 -0.164 -4.467 0.659 62 HG13 VAL 7 3HG1 VAL 7 1.378 -4.313 -0.184 63 HG21 VAL 7 3HG2 VAL 7 0.875 -0.795 -1.329 64 HG22 VAL 7 1HG2 VAL 7 0.570 -2.222 -2.328 65 HG23 VAL 7 2HG2 VAL 7 2.009 -2.145 -1.303 66 H VAL 8 H VAL 8 -3.007 -3.969 -0.033 67 HA VAL 8 HA VAL 8 -3.348 -3.826 2.913 68 HB VAL 8 HB VAL 8 -5.726 -4.478 2.605 69 HG11 VAL 8 1HG1 VAL 8 -5.235 -2.086 2.842 70 HG12 VAL 8 2HG1 VAL 8 -6.618 -2.326 1.776 71 HG13 VAL 8 3HG1 VAL 8 -5.039 -1.927 1.094 72 HG21 VAL 8 3HG2 VAL 8 -5.547 -5.648 0.438 73 HG22 VAL 8 1HG2 VAL 8 -5.247 -4.116 -0.386 74 HG23 VAL 8 2HG2 VAL 8 -6.808 -4.421 0.380 75 H THR 9 H THR 9 -3.768 -5.901 3.912 76 HA THR 9 HA THR 9 -2.954 -8.246 2.320 77 HB THR 9 HB THR 9 -2.853 -9.330 4.682 78 HG1 THR 9 HG1 THR 9 -2.286 -7.145 6.040 79 HG21 THR 9 3HG2 THR 9 -0.819 -8.723 3.413 80 HG22 THR 9 1HG2 THR 9 -0.621 -8.428 5.139 81 HG23 THR 9 2HG2 THR 9 -0.913 -7.075 4.045 82 H SER 10 H SER 10 -5.823 -6.784 3.262 83 HA SER 10 HA SER 10 -7.325 -9.315 2.957 84 HB2 SER 10 2HB SER 10 -7.965 -7.113 4.973 85 HB3 SER 10 3HB SER 10 -8.984 -8.516 4.643 86 HG SER 10 HG SER 10 -6.833 -9.674 5.167 87 H GLU 11 H GLU 11 -9.041 -9.222 1.640 88 HA GLU 11 HA GLU 11 -9.269 -7.128 -0.254 89 HB2 GLU 11 2HB GLU 11 -9.664 -9.530 -0.746 90 HB3 GLU 11 3HB GLU 11 -11.137 -9.495 0.219 91 HG2 GLU 11 2HG GLU 11 -12.129 -7.882 -1.348 92 HG3 GLU 11 3HG GLU 11 -10.644 -7.854 -2.292 93 H GLN 12 H GLN 12 -11.067 -7.900 2.665 94 HA GLN 12 HA GLN 12 -13.254 -6.157 2.382 95 HB2 GLN 12 2HB GLN 12 -11.766 -7.195 4.819 96 HB3 GLN 12 3HB GLN 12 -13.160 -6.135 4.981 97 HG2 GLN 12 2HG GLN 12 -13.226 -8.801 3.534 98 HG3 GLN 12 3HG GLN 12 -13.685 -8.575 5.218 99 HE21 GLN 12 1HE2 GLN 12 -14.541 -7.803 1.913 100 HE22 GLN 12 2HE2 GLN 12 -16.176 -7.360 2.230 101 H LEU 13 H LEU 13 -9.924 -5.542 3.419 102 HA LEU 13 HA LEU 13 -10.330 -2.766 4.081 103 HB2 LEU 13 2HB LEU 13 -7.765 -4.291 3.468 104 HB3 LEU 13 3HB LEU 13 -7.844 -2.684 4.172 105 HG LEU 13 HG LEU 13 -8.869 -5.222 5.508 106 HD11 LEU 13 1HD1 LEU 13 -6.429 -5.234 5.343 107 HD12 LEU 13 2HD1 LEU 13 -6.934 -5.006 7.015 108 HD13 LEU 13 3HD1 LEU 13 -6.345 -3.630 6.077 109 HD21 LEU 13 3HD2 LEU 13 -8.655 -2.400 6.617 110 HD22 LEU 13 1HD2 LEU 13 -9.128 -3.834 7.530 111 HD23 LEU 13 2HD2 LEU 13 -10.148 -3.252 6.217 112 H LYS 14 H LYS 14 -9.339 -4.614 1.229 113 HA LYS 14 HA LYS 14 -8.320 -2.570 -0.393 114 HB2 LYS 14 2HB LYS 14 -8.020 -4.920 -0.972 115 HB3 LYS 14 3HB LYS 14 -9.751 -5.135 -1.201 116 HG2 LYS 14 2HG LYS 14 -9.730 -3.778 -3.204 117 HG3 LYS 14 3HG LYS 14 -8.059 -3.279 -2.916 118 HD2 LYS 14 2HD LYS 14 -7.264 -5.560 -3.300 119 HD3 LYS 14 3HD LYS 14 -8.920 -6.153 -3.450 120 HE2 LYS 14 2HE LYS 14 -7.677 -4.120 -5.330 121 HE3 LYS 14 3HE LYS 14 -7.720 -5.857 -5.634 122 HZ1 LYS 14 3HZ LYS 14 -10.061 -4.058 -5.340 123 HZ2 LYS 14 1HZ LYS 14 -10.163 -5.737 -5.496 124 HZ3 LYS 14 2HZ LYS 14 -9.533 -4.806 -6.758 125 H GLU 15 H GLU 15 -11.589 -3.960 -0.499 126 HA GLU 15 HA GLU 15 -12.704 -2.121 -2.344 127 HB2 GLU 15 2HB GLU 15 -14.872 -3.151 -1.685 128 HB3 GLU 15 3HB GLU 15 -13.629 -4.350 -2.017 129 HG2 GLU 15 2HG GLU 15 -13.233 -4.444 0.514 130 HG3 GLU 15 3HG GLU 15 -14.709 -3.498 0.675 131 H GLU 16 H GLU 16 -12.179 -1.917 1.076 132 HA GLU 16 HA GLU 16 -14.201 0.016 1.700 133 HB2 GLU 16 2HB GLU 16 -13.166 -1.544 3.378 134 HB3 GLU 16 3HB GLU 16 -11.650 -0.663 3.227 135 HG2 GLU 16 2HG GLU 16 -12.873 -0.006 5.248 136 HG3 GLU 16 3HG GLU 16 -12.700 1.355 4.147 137 H VAL 17 H VAL 17 -10.640 0.218 1.337 138 HA VAL 17 HA VAL 17 -10.506 3.040 1.472 139 HB VAL 17 HB VAL 17 -8.472 1.164 0.175 140 HG11 VAL 17 1HG1 VAL 17 -6.807 2.928 0.660 141 HG12 VAL 17 2HG1 VAL 17 -8.080 3.973 1.292 142 HG13 VAL 17 3HG1 VAL 17 -8.073 3.527 -0.416 143 HG21 VAL 17 3HG2 VAL 17 -7.322 1.101 2.344 144 HG22 VAL 17 1HG2 VAL 17 -8.967 0.486 2.507 145 HG23 VAL 17 2HG2 VAL 17 -8.576 2.113 3.067 146 H ARG 18 H ARG 18 -11.072 0.828 -1.268 147 HA ARG 18 HA ARG 18 -10.926 2.910 -3.269 148 HB2 ARG 18 2HB ARG 18 -12.145 0.123 -3.404 149 HB3 ARG 18 3HB ARG 18 -11.970 1.207 -4.783 150 HG2 ARG 18 2HG ARG 18 -9.460 1.232 -4.266 151 HG3 ARG 18 3HG ARG 18 -9.782 -0.111 -3.172 152 HD2 ARG 18 2HD ARG 18 -8.983 -0.895 -5.367 153 HD3 ARG 18 3HD ARG 18 -10.618 -1.461 -5.035 154 HE ARG 18 HE ARG 18 -11.271 -0.427 -6.939 155 HH11 ARG 18 1HH1 ARG 18 -8.424 1.360 -5.833 156 HH12 ARG 18 2HH1 ARG 18 -8.435 2.428 -7.195 157 HH21 ARG 18 1HH2 ARG 18 -11.242 0.998 -8.693 158 HH22 ARG 18 2HH2 ARG 18 -10.017 2.223 -8.799 159 H LYS 19 H LYS 19 -13.483 1.615 -1.249 160 HA LYS 19 HA LYS 19 -15.775 2.674 -2.532 161 HB2 LYS 19 2HB LYS 19 -15.939 1.007 -0.758 162 HB3 LYS 19 3HB LYS 19 -15.183 2.094 0.398 163 HG2 LYS 19 2HG LYS 19 -17.209 3.608 0.139 164 HG3 LYS 19 3HG LYS 19 -17.960 2.320 -0.803 165 HD2 LYS 19 2HD LYS 19 -17.052 2.154 2.093 166 HD3 LYS 19 3HD LYS 19 -18.718 2.208 1.522 167 HE2 LYS 19 2HE LYS 19 -16.733 -0.029 1.012 168 HE3 LYS 19 3HE LYS 19 -18.076 -0.071 2.151 169 HZ1 LYS 19 3HZ LYS 19 -19.600 0.179 0.276 170 HZ2 LYS 19 1HZ LYS 19 -18.651 -1.215 0.132 171 HZ3 LYS 19 2HZ LYS 19 -18.300 0.151 -0.801 172 H LYS 20 H LYS 20 -13.653 3.929 -0.025 173 HA LYS 20 HA LYS 20 -15.074 6.459 0.187 174 HB2 LYS 20 2HB LYS 20 -12.638 5.360 1.647 175 HB3 LYS 20 3HB LYS 20 -13.454 6.875 2.034 176 HG2 LYS 20 2HG LYS 20 -15.563 5.575 2.485 177 HG3 LYS 20 3HG LYS 20 -14.648 4.087 2.219 178 HD2 LYS 20 2HD LYS 20 -14.854 4.521 4.615 179 HD3 LYS 20 3HD LYS 20 -13.163 4.674 4.127 180 HE2 LYS 20 2HE LYS 20 -13.392 7.132 4.096 181 HE3 LYS 20 3HE LYS 20 -15.091 6.984 4.556 182 HZ1 LYS 20 3HZ LYS 20 -14.461 6.060 6.647 183 HZ2 LYS 20 1HZ LYS 20 -13.587 7.489 6.424 184 HZ3 LYS 20 2HZ LYS 20 -12.827 5.993 6.206 185 H PHE 21 H PHE 21 -12.005 5.222 -1.086 186 HA PHE 21 HA PHE 21 -11.457 7.851 -2.334 187 HB2 PHE 21 2HB PHE 21 -9.215 6.088 -1.270 188 HB3 PHE 21 3HB PHE 21 -9.121 7.762 -1.809 189 HD1 PHE 21 HD1 PHE 21 -10.287 9.557 -0.372 190 HD2 PHE 21 HD2 PHE 21 -9.573 5.570 1.013 191 HE1 PHE 21 HE1 PHE 21 -10.558 10.306 1.956 192 HE2 PHE 21 HE2 PHE 21 -9.846 6.336 3.329 193 HZ PHE 21 HZ PHE 21 -10.324 8.689 3.799 194 HA PRO 22 HA PRO 22 -11.288 4.524 -5.600 195 HB2 PRO 22 2HB PRO 22 -12.888 5.751 -7.415 196 HB3 PRO 22 3HB PRO 22 -13.578 4.862 -6.043 197 HG2 PRO 22 2HG PRO 22 -13.147 7.825 -6.331 198 HG3 PRO 22 3HG PRO 22 -14.592 6.957 -5.759 199 HD2 PRO 22 2HD PRO 22 -12.767 8.062 -4.050 200 HD3 PRO 22 3HD PRO 22 -13.705 6.605 -3.640 201 H GLN 23 H GLN 23 -10.450 7.776 -5.190 202 HA GLN 23 HA GLN 23 -9.119 8.296 -7.680 203 HB2 GLN 23 2HB GLN 23 -8.334 10.353 -6.560 204 HB3 GLN 23 3HB GLN 23 -10.063 10.119 -6.341 205 HG2 GLN 23 2HG GLN 23 -9.607 9.192 -4.058 206 HG3 GLN 23 3HG GLN 23 -7.905 9.598 -4.279 207 HE21 GLN 23 1HE2 GLN 23 -9.810 10.577 -2.296 208 HE22 GLN 23 2HE2 GLN 23 -9.848 12.288 -2.480 209 H VAL 24 H VAL 24 -8.271 6.555 -4.808 210 HA VAL 24 HA VAL 24 -5.435 6.508 -5.684 211 HB VAL 24 HB VAL 24 -4.760 5.759 -3.486 212 HG11 VAL 24 1HG1 VAL 24 -4.925 8.186 -3.780 213 HG12 VAL 24 2HG1 VAL 24 -5.272 7.745 -2.109 214 HG13 VAL 24 3HG1 VAL 24 -6.593 8.171 -3.201 215 HG21 VAL 24 3HG2 VAL 24 -7.685 5.780 -2.654 216 HG22 VAL 24 1HG2 VAL 24 -6.316 5.525 -1.565 217 HG23 VAL 24 2HG2 VAL 24 -6.659 4.358 -2.843 218 H GLU 25 H GLU 25 -4.438 4.493 -5.980 219 HA GLU 25 HA GLU 25 -6.268 2.300 -6.659 220 HB2 GLU 25 2HB GLU 25 -4.255 1.315 -7.803 221 HB3 GLU 25 3HB GLU 25 -4.736 2.887 -8.425 222 HG2 GLU 25 2HG GLU 25 -2.918 3.937 -7.058 223 HG3 GLU 25 3HG GLU 25 -2.406 2.321 -6.570 224 H VAL 26 H VAL 26 -6.255 0.348 -5.618 225 HA VAL 26 HA VAL 26 -4.591 0.119 -3.178 226 HB VAL 26 HB VAL 26 -7.543 -0.634 -3.441 227 HG11 VAL 26 1HG1 VAL 26 -7.432 -1.045 -0.989 228 HG12 VAL 26 2HG1 VAL 26 -5.688 -0.787 -1.042 229 HG13 VAL 26 3HG1 VAL 26 -6.404 -2.149 -1.907 230 HG21 VAL 26 3HG2 VAL 26 -7.241 1.817 -3.356 231 HG22 VAL 26 1HG2 VAL 26 -6.278 1.658 -1.883 232 HG23 VAL 26 2HG2 VAL 26 -7.990 1.223 -1.873 233 H ARG 27 H ARG 27 -3.402 -1.663 -3.154 234 HA ARG 27 HA ARG 27 -3.918 -3.797 -5.138 235 HB2 ARG 27 2HB ARG 27 -1.784 -2.465 -5.331 236 HB3 ARG 27 3HB ARG 27 -1.316 -3.019 -3.725 237 HG2 ARG 27 2HG ARG 27 -0.164 -4.364 -5.336 238 HG3 ARG 27 3HG ARG 27 -1.392 -5.375 -4.581 239 HD2 ARG 27 2HD ARG 27 -2.848 -4.617 -6.678 240 HD3 ARG 27 3HD ARG 27 -1.266 -4.299 -7.392 241 HE ARG 27 HE ARG 27 -1.957 -6.942 -6.251 242 HH11 ARG 27 1HH1 ARG 27 -0.850 -5.035 -8.997 243 HH12 ARG 27 2HH1 ARG 27 -0.483 -6.435 -9.962 244 HH21 ARG 27 1HH2 ARG 27 -1.559 -8.746 -7.539 245 HH22 ARG 27 2HH2 ARG 27 -0.888 -8.541 -9.130 246 H LEU 28 H LEU 28 -4.323 -5.850 -4.390 247 HA LEU 28 HA LEU 28 -4.235 -6.401 -1.503 248 HB2 LEU 28 2HB LEU 28 -6.285 -6.975 -2.764 249 HB3 LEU 28 3HB LEU 28 -5.362 -8.034 -3.818 250 HG LEU 28 HG LEU 28 -4.896 -9.554 -1.914 251 HD11 LEU 28 1HD1 LEU 28 -6.586 -7.675 -0.244 252 HD12 LEU 28 2HD1 LEU 28 -4.852 -7.964 -0.077 253 HD13 LEU 28 3HD1 LEU 28 -5.995 -9.260 0.264 254 HD21 LEU 28 3HD2 LEU 28 -7.860 -8.949 -2.204 255 HD22 LEU 28 1HD2 LEU 28 -7.163 -10.453 -1.591 256 HD23 LEU 28 2HD2 LEU 28 -6.899 -9.982 -3.266 257 H VAL 29 H VAL 29 -2.734 -7.658 -0.589 258 HA VAL 29 HA VAL 29 -1.046 -9.466 -2.206 259 HB VAL 29 HB VAL 29 -0.126 -7.656 0.075 260 HG11 VAL 29 1HG1 VAL 29 2.122 -8.631 -0.227 261 HG12 VAL 29 2HG1 VAL 29 1.472 -9.784 -1.395 262 HG13 VAL 29 3HG1 VAL 29 0.951 -9.845 0.290 263 HG21 VAL 29 3HG2 VAL 29 1.407 -6.669 -1.599 264 HG22 VAL 29 1HG2 VAL 29 -0.282 -6.472 -2.067 265 HG23 VAL 29 2HG2 VAL 29 0.711 -7.703 -2.850 266 H THR 30 H THR 30 -1.785 -11.396 -1.660 267 HA THR 30 HA THR 30 -2.410 -12.091 1.154 268 HB THR 30 HB THR 30 -3.565 -14.104 0.097 269 HG1 THR 30 HG1 THR 30 -2.299 -13.560 -2.021 270 HG21 THR 30 3HG2 THR 30 -4.600 -11.375 -0.785 271 HG22 THR 30 1HG2 THR 30 -4.898 -12.136 0.785 272 HG23 THR 30 2HG2 THR 30 -5.551 -12.854 -0.685 273 H THR 31 H THR 31 -0.292 -12.748 -1.519 274 HA THR 31 HA THR 31 1.293 -14.669 0.094 275 HB THR 31 HB THR 31 2.028 -15.776 -2.018 276 HG1 THR 31 HG1 THR 31 -0.015 -14.279 -3.341 277 HG21 THR 31 3HG2 THR 31 -1.004 -15.810 -1.748 278 HG22 THR 31 1HG2 THR 31 0.122 -16.795 -0.810 279 HG23 THR 31 2HG2 THR 31 -0.023 -17.038 -2.552 280 H GLU 32 H GLU 32 3.582 -14.585 -0.404 281 HA GLU 32 HA GLU 32 4.705 -12.018 -0.631 282 HB2 GLU 32 2HB GLU 32 5.823 -13.825 0.559 283 HB3 GLU 32 3HB GLU 32 5.966 -14.777 -0.915 284 HG2 GLU 32 2HG GLU 32 7.569 -13.210 -1.840 285 HG3 GLU 32 3HG GLU 32 7.318 -12.091 -0.500 286 H GLU 33 H GLU 33 3.967 -14.459 -3.033 287 HA GLU 33 HA GLU 33 5.444 -13.561 -5.247 288 HB2 GLU 33 2HB GLU 33 2.726 -14.946 -5.173 289 HB3 GLU 33 3HB GLU 33 3.751 -14.809 -6.597 290 HG2 GLU 33 2HG GLU 33 5.489 -16.170 -5.494 291 HG3 GLU 33 3HG GLU 33 4.483 -16.280 -4.050 292 H ASP 34 H ASP 34 2.166 -12.627 -4.117 293 HA ASP 34 HA ASP 34 1.502 -10.766 -6.109 294 HB2 ASP 34 2HB ASP 34 0.841 -10.671 -3.132 295 HB3 ASP 34 3HB ASP 34 0.133 -9.582 -4.321 296 H ALA 35 H ALA 35 3.331 -10.411 -3.093 297 HA ALA 35 HA ALA 35 3.751 -7.619 -3.160 298 HB1 ALA 35 3HB ALA 35 3.991 -8.965 -1.122 299 HB2 ALA 35 1HB ALA 35 5.439 -8.015 -1.428 300 HB3 ALA 35 2HB ALA 35 5.426 -9.746 -1.784 301 H LYS 36 H LYS 36 5.598 -10.306 -4.579 302 HA LYS 36 HA LYS 36 7.890 -8.877 -5.426 303 HB2 LYS 36 2HB LYS 36 6.586 -11.310 -6.743 304 HB3 LYS 36 3HB LYS 36 8.236 -10.756 -7.015 305 HG2 LYS 36 2HG LYS 36 8.799 -11.246 -4.653 306 HG3 LYS 36 3HG LYS 36 7.142 -11.770 -4.378 307 HD2 LYS 36 2HD LYS 36 8.517 -13.736 -4.647 308 HD3 LYS 36 3HD LYS 36 7.476 -13.595 -6.064 309 HE2 LYS 36 2HE LYS 36 9.760 -14.242 -6.694 310 HE3 LYS 36 3HE LYS 36 9.362 -12.655 -7.349 311 HZ1 LYS 36 3HZ LYS 36 10.993 -13.186 -4.922 312 HZ2 LYS 36 1HZ LYS 36 10.592 -11.652 -5.505 313 HZ3 LYS 36 2HZ LYS 36 11.583 -12.668 -6.424 314 H GLN 37 H GLN 37 4.769 -9.539 -7.015 315 HA GLN 37 HA GLN 37 5.232 -8.123 -9.433 316 HB2 GLN 37 2HB GLN 37 2.597 -8.562 -7.967 317 HB3 GLN 37 3HB GLN 37 2.749 -8.057 -9.645 318 HG2 GLN 37 2HG GLN 37 3.769 -10.198 -10.237 319 HG3 GLN 37 3HG GLN 37 3.721 -10.717 -8.551 320 HE21 GLN 37 1HE2 GLN 37 2.471 -11.946 -10.914 321 HE22 GLN 37 2HE2 GLN 37 0.783 -12.038 -10.553 322 H VAL 38 H VAL 38 4.152 -7.039 -6.236 323 HA VAL 38 HA VAL 38 3.377 -4.394 -7.008 324 HB VAL 38 HB VAL 38 4.049 -5.441 -4.217 325 HG11 VAL 38 1HG1 VAL 38 3.990 -2.974 -4.272 326 HG12 VAL 38 2HG1 VAL 38 2.621 -3.617 -3.370 327 HG13 VAL 38 3HG1 VAL 38 2.388 -3.014 -5.013 328 HG21 VAL 38 3HG2 VAL 38 1.622 -5.808 -3.963 329 HG22 VAL 38 1HG2 VAL 38 2.295 -6.785 -5.263 330 HG23 VAL 38 2HG2 VAL 38 1.374 -5.337 -5.645 331 H ILE 39 H ILE 39 6.426 -5.790 -5.789 332 HA ILE 39 HA ILE 39 7.846 -3.390 -5.317 333 HB ILE 39 HB ILE 39 8.877 -6.140 -6.170 334 HG12 ILE 39 2HG1 ILE 39 8.859 -4.740 -3.453 335 HG13 ILE 39 3HG1 ILE 39 7.795 -6.051 -3.935 336 HG21 ILE 39 1HG2 ILE 39 11.147 -5.399 -5.481 337 HG22 ILE 39 2HG2 ILE 39 10.535 -3.764 -5.237 338 HG23 ILE 39 3HG2 ILE 39 10.546 -4.464 -6.854 339 HD11 ILE 39 3HD1 ILE 39 10.777 -6.219 -3.548 340 HD12 ILE 39 1HD1 ILE 39 9.747 -7.538 -4.109 341 HD13 ILE 39 2HD1 ILE 39 9.524 -6.871 -2.494 342 H LYS 40 H LYS 40 7.425 -5.327 -8.266 343 HA LYS 40 HA LYS 40 8.947 -3.727 -10.055 344 HB2 LYS 40 2HB LYS 40 6.547 -5.524 -10.614 345 HB3 LYS 40 3HB LYS 40 7.643 -4.888 -11.840 346 HG2 LYS 40 2HG LYS 40 9.501 -6.156 -10.880 347 HG3 LYS 40 3HG LYS 40 8.444 -6.762 -9.599 348 HD2 LYS 40 2HD LYS 40 7.049 -7.917 -11.273 349 HD3 LYS 40 3HD LYS 40 8.067 -7.284 -12.575 350 HE2 LYS 40 2HE LYS 40 8.599 -9.639 -11.967 351 HE3 LYS 40 3HE LYS 40 9.973 -8.549 -11.761 352 HZ1 LYS 40 3HZ LYS 40 8.187 -9.549 -9.607 353 HZ2 LYS 40 1HZ LYS 40 9.440 -8.439 -9.385 354 HZ3 LYS 40 2HZ LYS 40 9.788 -10.012 -9.885 355 H GLU 41 H GLU 41 5.525 -3.784 -9.170 356 HA GLU 41 HA GLU 41 4.445 -2.070 -11.083 357 HB2 GLU 41 2HB GLU 41 3.150 -3.640 -9.680 358 HB3 GLU 41 3HB GLU 41 3.512 -2.686 -8.247 359 HG2 GLU 41 2HG GLU 41 2.211 -0.805 -9.193 360 HG3 GLU 41 3HG GLU 41 1.841 -1.788 -10.613 361 H ILE 42 H ILE 42 5.059 -1.325 -7.638 362 HA ILE 42 HA ILE 42 4.535 1.355 -7.541 363 HB ILE 42 HB ILE 42 6.627 -0.241 -5.988 364 HG12 ILE 42 2HG1 ILE 42 3.813 0.655 -5.176 365 HG13 ILE 42 3HG1 ILE 42 4.241 -0.968 -5.707 366 HG21 ILE 42 1HG2 ILE 42 7.232 2.140 -5.849 367 HG22 ILE 42 2HG2 ILE 42 6.638 1.563 -4.293 368 HG23 ILE 42 3HG2 ILE 42 5.597 2.541 -5.330 369 HD11 ILE 42 3HD1 ILE 42 5.245 0.404 -3.214 370 HD12 ILE 42 1HD1 ILE 42 5.708 -1.211 -3.757 371 HD13 ILE 42 2HD1 ILE 42 4.037 -0.876 -3.304 372 H GLN 43 H GLN 43 7.673 -0.122 -8.395 373 HA GLN 43 HA GLN 43 9.127 2.313 -8.622 374 HB2 GLN 43 2HB GLN 43 9.706 -0.435 -9.788 375 HB3 GLN 43 3HB GLN 43 10.848 0.907 -9.790 376 HG2 GLN 43 2HG GLN 43 10.853 0.914 -7.319 377 HG3 GLN 43 3HG GLN 43 9.701 -0.423 -7.319 378 HE21 GLN 43 1HE2 GLN 43 11.079 -1.810 -6.218 379 HE22 GLN 43 2HE2 GLN 43 12.509 -2.477 -6.920 380 H LYS 44 H LYS 44 7.632 0.203 -11.114 381 HA LYS 44 HA LYS 44 8.423 1.894 -13.297 382 HB2 LYS 44 2HB LYS 44 6.445 -0.418 -13.208 383 HB3 LYS 44 3HB LYS 44 6.990 0.373 -14.683 384 HG2 LYS 44 2HG LYS 44 8.692 -1.235 -12.755 385 HG3 LYS 44 3HG LYS 44 8.212 -1.704 -14.380 386 HD2 LYS 44 2HD LYS 44 10.075 0.603 -13.679 387 HD3 LYS 44 3HD LYS 44 10.578 -0.970 -14.292 388 HE2 LYS 44 2HE LYS 44 8.853 1.032 -15.789 389 HE3 LYS 44 3HE LYS 44 10.566 0.745 -16.074 390 HZ1 LYS 44 3HZ LYS 44 8.377 -1.228 -16.472 391 HZ2 LYS 44 1HZ LYS 44 10.024 -1.535 -16.715 392 HZ3 LYS 44 2HZ LYS 44 9.223 -0.414 -17.688 393 H LYS 45 H LYS 45 5.715 1.926 -11.162 394 HA LYS 45 HA LYS 45 4.051 3.627 -12.830 395 HB2 LYS 45 2HB LYS 45 3.893 2.938 -9.870 396 HB3 LYS 45 3HB LYS 45 2.691 3.875 -10.734 397 HG2 LYS 45 2HG LYS 45 3.332 0.945 -11.163 398 HG3 LYS 45 3HG LYS 45 1.932 1.600 -10.330 399 HD2 LYS 45 2HD LYS 45 0.953 1.167 -12.363 400 HD3 LYS 45 3HD LYS 45 1.536 2.793 -12.707 401 HE2 LYS 45 2HE LYS 45 3.547 1.815 -13.790 402 HE3 LYS 45 3HE LYS 45 2.919 0.198 -13.457 403 HZ1 LYS 45 3HZ LYS 45 1.634 2.249 -15.182 404 HZ2 LYS 45 1HZ LYS 45 0.990 0.723 -14.829 405 HZ3 LYS 45 2HZ LYS 45 2.427 0.850 -15.703 406 H GLY 46 H GLY 46 6.666 3.992 -10.564 407 HA2 GLY 46 2HA GLY 46 7.847 5.840 -9.851 408 HA3 GLY 46 3HA GLY 46 6.889 6.826 -10.947 409 H VAL 47 H VAL 47 5.966 4.792 -8.170 410 HA VAL 47 HA VAL 47 4.099 6.759 -7.178 411 HB VAL 47 HB VAL 47 5.004 4.138 -5.903 412 HG11 VAL 47 1HG1 VAL 47 2.496 5.777 -5.383 413 HG12 VAL 47 2HG1 VAL 47 3.871 5.615 -4.288 414 HG13 VAL 47 3HG1 VAL 47 2.873 4.209 -4.664 415 HG21 VAL 47 3HG2 VAL 47 3.022 3.118 -6.942 416 HG22 VAL 47 1HG2 VAL 47 4.111 3.772 -8.166 417 HG23 VAL 47 2HG2 VAL 47 2.639 4.645 -7.737 418 H GLN 48 H GLN 48 4.382 8.146 -5.471 419 HA GLN 48 HA GLN 48 7.126 8.632 -4.609 420 HB2 GLN 48 2HB GLN 48 5.403 10.373 -5.544 421 HB3 GLN 48 3HB GLN 48 4.679 10.329 -3.950 422 HG2 GLN 48 2HG GLN 48 7.620 10.937 -4.217 423 HG3 GLN 48 3HG GLN 48 6.443 12.185 -4.599 424 HE21 GLN 48 1HE2 GLN 48 5.206 13.085 -2.935 425 HE22 GLN 48 2HE2 GLN 48 5.623 12.882 -1.270 426 H LYS 49 H LYS 49 3.891 8.167 -3.142 427 HA LYS 49 HA LYS 49 5.156 7.139 -0.666 428 HB2 LYS 49 2HB LYS 49 2.795 9.059 -0.929 429 HB3 LYS 49 3HB LYS 49 3.147 8.179 0.559 430 HG2 LYS 49 2HG LYS 49 5.309 9.262 0.772 431 HG3 LYS 49 3HG LYS 49 5.137 10.022 -0.803 432 HD2 LYS 49 2HD LYS 49 3.334 10.613 1.570 433 HD3 LYS 49 3HD LYS 49 4.760 11.560 1.146 434 HE2 LYS 49 2HE LYS 49 3.718 11.997 -1.096 435 HE3 LYS 49 3HE LYS 49 2.256 11.199 -0.512 436 HZ1 LYS 49 3HZ LYS 49 3.493 13.590 0.740 437 HZ2 LYS 49 1HZ LYS 49 2.034 12.868 1.186 438 HZ3 LYS 49 2HZ LYS 49 2.176 13.632 -0.316 439 H VAL 50 H VAL 50 4.328 5.302 0.173 440 HA VAL 50 HA VAL 50 1.963 4.003 -1.065 441 HB VAL 50 HB VAL 50 4.577 2.675 -0.152 442 HG11 VAL 50 1HG1 VAL 50 2.151 1.357 -1.437 443 HG12 VAL 50 2HG1 VAL 50 2.653 1.179 0.245 444 HG13 VAL 50 3HG1 VAL 50 3.680 0.563 -1.051 445 HG21 VAL 50 3HG2 VAL 50 4.857 3.902 -2.267 446 HG22 VAL 50 1HG2 VAL 50 3.503 3.016 -2.975 447 HG23 VAL 50 2HG2 VAL 50 4.980 2.161 -2.521 448 H VAL 51 H VAL 51 0.527 3.076 0.391 449 HA VAL 51 HA VAL 51 1.114 3.241 3.293 450 HB VAL 51 HB VAL 51 -1.580 2.818 1.891 451 HG11 VAL 51 1HG1 VAL 51 -2.583 3.310 4.090 452 HG12 VAL 51 2HG1 VAL 51 -0.975 3.418 4.809 453 HG13 VAL 51 3HG1 VAL 51 -1.550 1.881 4.159 454 HG21 VAL 51 3HG2 VAL 51 -0.725 5.061 1.396 455 HG22 VAL 51 1HG2 VAL 51 -0.485 5.371 3.117 456 HG23 VAL 51 2HG2 VAL 51 -2.115 5.147 2.477 457 H LEU 52 H LEU 52 1.412 1.332 4.398 458 HA LEU 52 HA LEU 52 0.574 -1.229 3.167 459 HB2 LEU 52 2HB LEU 52 2.805 -0.604 5.153 460 HB3 LEU 52 3HB LEU 52 2.330 -2.229 4.700 461 HG LEU 52 HG LEU 52 3.555 -0.150 2.834 462 HD11 LEU 52 1HD1 LEU 52 5.503 -1.617 2.744 463 HD12 LEU 52 2HD1 LEU 52 4.735 -2.759 3.851 464 HD13 LEU 52 3HD1 LEU 52 5.178 -1.147 4.410 465 HD21 LEU 52 3HD2 LEU 52 3.644 -1.942 1.148 466 HD22 LEU 52 1HD2 LEU 52 1.999 -1.485 1.579 467 HD23 LEU 52 2HD2 LEU 52 2.689 -2.979 2.213 468 H VAL 53 H VAL 53 -1.415 -1.616 3.983 469 HA VAL 53 HA VAL 53 -2.191 -0.857 6.684 470 HB VAL 53 HB VAL 53 -3.937 -2.262 4.612 471 HG11 VAL 53 1HG1 VAL 53 -5.826 -1.250 5.853 472 HG12 VAL 53 2HG1 VAL 53 -4.695 -0.538 7.003 473 HG13 VAL 53 3HG1 VAL 53 -4.852 -2.291 6.896 474 HG21 VAL 53 3HG2 VAL 53 -3.039 -0.224 3.575 475 HG22 VAL 53 1HG2 VAL 53 -3.593 0.738 4.946 476 HG23 VAL 53 2HG2 VAL 53 -4.765 -0.055 3.895 477 H GLY 54 H GLY 54 -1.210 -2.237 8.068 478 HA2 GLY 54 2HA GLY 54 -0.942 -4.049 9.422 479 HA3 GLY 54 3HA GLY 54 -2.482 -4.606 8.799 480 H VAL 55 H VAL 55 0.696 -4.206 7.232 481 HA VAL 55 HA VAL 55 0.574 -6.952 6.178 482 HB VAL 55 HB VAL 55 2.363 -6.343 4.677 483 HG11 VAL 55 1HG1 VAL 55 1.372 -4.453 3.408 484 HG12 VAL 55 2HG1 VAL 55 0.361 -4.051 4.799 485 HG13 VAL 55 3HG1 VAL 55 0.143 -5.590 3.968 486 HG21 VAL 55 3HG2 VAL 55 3.797 -5.055 6.188 487 HG22 VAL 55 1HG2 VAL 55 2.641 -3.723 6.207 488 HG23 VAL 55 2HG2 VAL 55 3.499 -4.130 4.719 489 H SER 56 H SER 56 2.581 -8.290 6.260 490 HA SER 56 HA SER 56 3.764 -8.419 8.877 491 HB2 SER 56 2HB SER 56 3.318 -10.480 7.610 492 HB3 SER 56 3HB SER 56 4.371 -9.941 6.299 493 HG SER 56 HG SER 56 5.074 -10.739 8.930 494 H GLU 57 H GLU 57 5.995 -8.208 9.368 495 HA GLU 57 HA GLU 57 7.425 -6.021 8.270 496 HB2 GLU 57 2HB GLU 57 8.432 -8.294 10.038 497 HB3 GLU 57 3HB GLU 57 9.262 -6.763 9.772 498 HG2 GLU 57 2HG GLU 57 7.512 -5.538 10.925 499 HG3 GLU 57 3HG GLU 57 6.524 -6.997 11.047 500 H LYS 58 H LYS 58 7.379 -9.422 7.578 501 HA LYS 58 HA LYS 58 9.694 -9.921 6.135 502 HB2 LYS 58 2HB LYS 58 7.983 -11.624 6.776 503 HB3 LYS 58 3HB LYS 58 6.861 -10.948 5.607 504 HG2 LYS 58 2HG LYS 58 8.547 -11.568 3.803 505 HG3 LYS 58 3HG LYS 58 9.443 -12.440 5.042 506 HD2 LYS 58 2HD LYS 58 6.566 -13.014 4.223 507 HD3 LYS 58 3HD LYS 58 7.971 -13.924 3.679 508 HE2 LYS 58 2HE LYS 58 7.032 -15.248 5.398 509 HE3 LYS 58 3HE LYS 58 8.391 -14.442 6.177 510 HZ1 LYS 58 3HZ LYS 58 5.573 -13.505 6.355 511 HZ2 LYS 58 1HZ LYS 58 6.889 -12.938 7.253 512 HZ3 LYS 58 2HZ LYS 58 6.309 -14.506 7.498 513 H LEU 59 H LEU 59 6.578 -8.706 4.968 514 HA LEU 59 HA LEU 59 7.601 -8.133 2.297 515 HB2 LEU 59 2HB LEU 59 4.806 -7.843 3.463 516 HB3 LEU 59 3HB LEU 59 5.235 -7.680 1.772 517 HG LEU 59 HG LEU 59 5.334 -10.233 3.431 518 HD11 LEU 59 1HD1 LEU 59 3.638 -11.080 1.875 519 HD12 LEU 59 2HD1 LEU 59 3.643 -9.544 1.006 520 HD13 LEU 59 3HD1 LEU 59 3.080 -9.611 2.676 521 HD21 LEU 59 3HD2 LEU 59 6.269 -9.842 0.570 522 HD22 LEU 59 1HD2 LEU 59 6.088 -11.398 1.382 523 HD23 LEU 59 2HD2 LEU 59 7.276 -10.235 1.967 524 H LEU 60 H LEU 60 6.785 -6.436 5.236 525 HA LEU 60 HA LEU 60 6.343 -3.834 4.231 526 HB2 LEU 60 2HB LEU 60 5.803 -4.636 6.555 527 HB3 LEU 60 3HB LEU 60 7.504 -4.577 6.955 528 HG LEU 60 HG LEU 60 6.062 -2.052 6.049 529 HD11 LEU 60 1HD1 LEU 60 5.534 -1.509 8.380 530 HD12 LEU 60 2HD1 LEU 60 6.123 -3.091 8.897 531 HD13 LEU 60 3HD1 LEU 60 4.699 -2.975 7.863 532 HD21 LEU 60 3HD2 LEU 60 7.747 -0.898 7.429 533 HD22 LEU 60 1HD2 LEU 60 8.517 -1.913 6.210 534 HD23 LEU 60 2HD2 LEU 60 8.450 -2.450 7.888 535 H GLN 61 H GLN 61 9.260 -5.140 5.810 536 HA GLN 61 HA GLN 61 10.913 -2.946 5.197 537 HB2 GLN 61 2HB GLN 61 11.548 -5.783 6.072 538 HB3 GLN 61 3HB GLN 61 12.783 -4.545 5.895 539 HG2 GLN 61 2HG GLN 61 10.421 -4.413 7.798 540 HG3 GLN 61 3HG GLN 61 12.073 -4.826 8.237 541 HE21 GLN 61 1HE2 GLN 61 10.440 -2.654 9.252 542 HE22 GLN 61 2HE2 GLN 61 11.265 -1.183 8.884 543 H LYS 62 H LYS 62 10.214 -5.925 3.409 544 HA LYS 62 HA LYS 62 12.443 -5.706 1.628 545 HB2 LYS 62 2HB LYS 62 11.314 -7.863 1.998 546 HB3 LYS 62 3HB LYS 62 9.846 -7.245 1.239 547 HG2 LYS 62 2HG LYS 62 10.832 -7.196 -0.920 548 HG3 LYS 62 3HG LYS 62 12.473 -7.267 -0.268 549 HD2 LYS 62 2HD LYS 62 11.869 -9.400 -1.304 550 HD3 LYS 62 3HD LYS 62 12.097 -9.605 0.434 551 HE2 LYS 62 2HE LYS 62 9.566 -9.415 0.664 552 HE3 LYS 62 3HE LYS 62 9.486 -9.517 -1.101 553 HZ1 LYS 62 3HZ LYS 62 10.529 -11.647 -1.038 554 HZ2 LYS 62 1HZ LYS 62 9.232 -11.671 0.042 555 HZ3 LYS 62 2HZ LYS 62 10.807 -11.539 0.627 556 H ILE 63 H ILE 63 8.955 -4.856 1.271 557 HA ILE 63 HA ILE 63 9.214 -3.702 -1.321 558 HB ILE 63 HB ILE 63 7.075 -3.609 0.818 559 HG12 ILE 63 2HG1 ILE 63 5.628 -4.530 -1.007 560 HG13 ILE 63 3HG1 ILE 63 6.963 -4.392 -2.139 561 HG21 ILE 63 1HG2 ILE 63 5.623 -2.111 -0.524 562 HG22 ILE 63 2HG2 ILE 63 6.968 -1.792 -1.617 563 HG23 ILE 63 3HG2 ILE 63 7.064 -1.273 0.066 564 HD11 ILE 63 3HD1 ILE 63 6.769 -6.252 0.226 565 HD12 ILE 63 1HD1 ILE 63 8.200 -6.084 -0.797 566 HD13 ILE 63 2HD1 ILE 63 6.686 -6.673 -1.482 567 H LYS 64 H LYS 64 9.604 -2.411 1.934 568 HA LYS 64 HA LYS 64 9.756 0.348 1.439 569 HB2 LYS 64 2HB LYS 64 9.531 -0.833 3.674 570 HB3 LYS 64 3HB LYS 64 11.230 -1.240 3.596 571 HG2 LYS 64 2HG LYS 64 10.334 1.642 3.520 572 HG3 LYS 64 3HG LYS 64 10.449 0.779 5.050 573 HD2 LYS 64 2HD LYS 64 12.845 0.367 4.658 574 HD3 LYS 64 3HD LYS 64 12.743 1.175 3.091 575 HE2 LYS 64 2HE LYS 64 12.118 3.283 4.246 576 HE3 LYS 64 3HE LYS 64 12.276 2.462 5.801 577 HZ1 LYS 64 3HZ LYS 64 14.615 2.046 5.268 578 HZ2 LYS 64 1HZ LYS 64 14.254 3.699 5.308 579 HZ3 LYS 64 2HZ LYS 64 14.444 2.911 3.823 580 H GLN 65 H GLN 65 12.348 -2.081 1.657 581 HA GLN 65 HA GLN 65 14.452 -0.213 1.054 582 HB2 GLN 65 2HB GLN 65 14.492 -3.247 1.323 583 HB3 GLN 65 3HB GLN 65 15.931 -2.252 1.110 584 HG2 GLN 65 2HG GLN 65 15.432 -1.097 3.266 585 HG3 GLN 65 3HG GLN 65 14.021 -2.135 3.471 586 HE21 GLN 65 1HE2 GLN 65 14.741 -3.075 5.366 587 HE22 GLN 65 2HE2 GLN 65 16.101 -4.139 5.446 588 H GLU 66 H GLU 66 13.014 -2.972 -0.734 589 HA GLU 66 HA GLU 66 14.733 -2.825 -2.965 590 HB2 GLU 66 2HB GLU 66 11.952 -4.062 -2.756 591 HB3 GLU 66 3HB GLU 66 13.045 -4.293 -4.116 592 HG2 GLU 66 2HG GLU 66 13.415 -5.252 -1.268 593 HG3 GLU 66 3HG GLU 66 13.183 -6.232 -2.712 594 H ALA 67 H ALA 67 11.442 -1.438 -2.490 595 HA ALA 67 HA ALA 67 11.469 -0.200 -5.131 596 HB1 ALA 67 3HB ALA 67 9.272 0.689 -4.525 597 HB2 ALA 67 1HB ALA 67 9.488 0.140 -2.856 598 HB3 ALA 67 2HB ALA 67 9.372 -1.034 -4.166 599 H ASN 68 H ASN 68 12.341 0.660 -1.888 600 HA ASN 68 HA ASN 68 13.122 2.476 -0.824 601 HB2 ASN 68 2HB ASN 68 14.935 2.119 -2.540 602 HB3 ASN 68 3HB ASN 68 14.173 3.342 -3.555 603 HD21 ASN 68 1HD2 ASN 68 14.384 5.532 -2.957 604 HD22 ASN 68 2HD2 ASN 68 15.496 6.066 -1.744 605 H VAL 69 H VAL 69 10.737 2.845 -0.738 606 HA VAL 69 HA VAL 69 9.988 5.525 -1.766 607 HB VAL 69 HB VAL 69 7.615 4.710 -2.003 608 HG11 VAL 69 1HG1 VAL 69 9.041 4.914 -4.000 609 HG12 VAL 69 2HG1 VAL 69 7.910 3.576 -4.164 610 HG13 VAL 69 3HG1 VAL 69 9.603 3.252 -3.787 611 HG21 VAL 69 3HG2 VAL 69 8.820 1.934 -1.618 612 HG22 VAL 69 1HG2 VAL 69 7.161 2.264 -2.134 613 HG23 VAL 69 2HG2 VAL 69 7.696 2.742 -0.524 614 H GLN 70 H GLN 70 8.262 6.574 -0.468 615 HA GLN 70 HA GLN 70 8.816 6.366 2.345 616 HB2 GLN 70 2HB GLN 70 6.681 7.995 0.900 617 HB3 GLN 70 3HB GLN 70 7.183 8.223 2.570 618 HG2 GLN 70 2HG GLN 70 8.889 8.686 0.106 619 HG3 GLN 70 3HG GLN 70 8.176 9.928 1.129 620 HE21 GLN 70 1HE2 GLN 70 10.986 9.427 0.429 621 HE22 GLN 70 2HE2 GLN 70 11.828 9.237 1.924 622 H VAL 71 H VAL 71 7.954 4.827 3.585 623 HA VAL 71 HA VAL 71 5.430 3.499 2.813 624 HB VAL 71 HB VAL 71 7.807 2.609 4.501 625 HG11 VAL 71 1HG1 VAL 71 5.161 1.140 4.198 626 HG12 VAL 71 2HG1 VAL 71 5.808 1.833 5.686 627 HG13 VAL 71 3HG1 VAL 71 6.627 0.473 4.923 628 HG21 VAL 71 3HG2 VAL 71 6.562 1.485 1.958 629 HG22 VAL 71 1HG2 VAL 71 7.966 0.816 2.796 630 HG23 VAL 71 2HG2 VAL 71 8.058 2.416 2.059 631 H TYR 72 H TYR 72 3.651 3.826 3.959 632 HA TYR 72 HA TYR 72 3.793 4.890 6.725 633 HB2 TYR 72 2HB TYR 72 1.617 5.206 4.599 634 HB3 TYR 72 3HB TYR 72 1.467 5.757 6.266 635 HD1 TYR 72 HD2 TYR 72 3.283 6.324 3.057 636 HD2 TYR 72 HD1 TYR 72 2.503 7.821 6.990 637 HE1 TYR 72 HE2 TYR 72 4.311 8.471 2.453 638 HE2 TYR 72 HE1 TYR 72 3.534 9.960 6.371 639 HH TYR 72 HH TYR 72 5.090 10.851 4.779 640 H ARG 73 H ARG 73 3.713 3.045 7.932 641 HA ARG 73 HA ARG 73 1.923 0.849 7.311 642 HB2 ARG 73 2HB ARG 73 4.023 0.303 8.437 643 HB3 ARG 73 3HB ARG 73 3.656 1.402 9.766 644 HG2 ARG 73 2HG ARG 73 1.684 -0.038 10.351 645 HG3 ARG 73 3HG ARG 73 2.169 -1.165 9.085 646 HD2 ARG 73 2HD ARG 73 4.272 -1.622 10.280 647 HD3 ARG 73 3HD ARG 73 3.844 -0.427 11.505 648 HE ARG 73 HE ARG 73 2.277 -1.873 12.404 649 HH11 ARG 73 1HH1 ARG 73 3.732 -3.354 9.571 650 HH12 ARG 73 2HH1 ARG 73 3.108 -4.935 9.927 651 HH21 ARG 73 1HH2 ARG 73 1.443 -3.926 12.850 652 HH22 ARG 73 2HH2 ARG 73 1.811 -5.260 11.787 653 H VAL 74 H VAL 74 -0.196 1.068 7.641 654 HA VAL 74 HA VAL 74 -1.161 2.461 10.081 655 HB VAL 74 HB VAL 74 -3.107 3.260 8.980 656 HG11 VAL 74 1HG1 VAL 74 -0.804 3.727 7.041 657 HG12 VAL 74 2HG1 VAL 74 -1.134 4.645 8.511 658 HG13 VAL 74 3HG1 VAL 74 -2.268 4.711 7.164 659 HG21 VAL 74 3HG2 VAL 74 -3.718 1.314 7.639 660 HG22 VAL 74 1HG2 VAL 74 -2.390 1.625 6.519 661 HG23 VAL 74 2HG2 VAL 74 -3.738 2.762 6.633 662 H THR 75 H THR 75 -2.749 1.427 11.255 663 HA THR 75 HA THR 75 -3.814 -1.172 10.306 664 HB THR 75 HB THR 75 -3.777 -1.937 12.740 665 HG1 THR 75 HG1 THR 75 -2.281 0.474 12.976 666 HG21 THR 75 3HG2 THR 75 -1.392 -2.548 12.806 667 HG22 THR 75 1HG2 THR 75 -1.035 -1.361 11.550 668 HG23 THR 75 2HG2 THR 75 -2.040 -2.765 11.180 669 H SER 76 H SER 76 -4.566 1.933 11.021 670 HA SER 76 HA SER 76 -7.367 1.304 11.722 671 HB2 SER 76 2HB SER 76 -5.686 3.552 12.935 672 HB3 SER 76 3HB SER 76 -7.421 3.327 13.197 673 HG SER 76 HG SER 76 -6.080 1.040 13.725 674 H ASN 77 H ASN 77 -8.901 2.884 11.019 675 HA ASN 77 HA ASN 77 -8.579 3.895 8.409 676 HB2 ASN 77 2HB ASN 77 -10.705 4.512 10.514 677 HB3 ASN 77 3HB ASN 77 -10.829 4.996 8.823 678 HD21 ASN 77 1HD2 ASN 77 -12.445 3.138 10.530 679 HD22 ASN 77 2HD2 ASN 77 -12.531 1.672 9.622 680 H ASP 78 H ASP 78 -8.364 5.435 11.567 681 HA ASP 78 HA ASP 78 -8.394 8.133 10.961 682 HB2 ASP 78 2HB ASP 78 -6.684 6.709 13.054 683 HB3 ASP 78 3HB ASP 78 -6.945 8.448 13.005 684 H GLU 79 H GLU 79 -5.622 5.945 10.992 685 HA GLU 79 HA GLU 79 -3.617 7.866 10.348 686 HB2 GLU 79 2HB GLU 79 -3.519 4.836 10.054 687 HB3 GLU 79 3HB GLU 79 -2.141 5.922 10.209 688 HG2 GLU 79 2HG GLU 79 -2.711 6.411 12.522 689 HG3 GLU 79 3HG GLU 79 -4.219 5.502 12.383 690 H LEU 80 H LEU 80 -5.272 5.298 8.534 691 HA LEU 80 HA LEU 80 -4.050 5.385 6.061 692 HB2 LEU 80 2HB LEU 80 -5.586 3.625 6.765 693 HB3 LEU 80 3HB LEU 80 -6.926 4.740 6.837 694 HG LEU 80 HG LEU 80 -6.815 3.026 4.873 695 HD11 LEU 80 1HD1 LEU 80 -7.385 5.914 4.198 696 HD12 LEU 80 2HD1 LEU 80 -8.498 4.769 4.949 697 HD13 LEU 80 3HD1 LEU 80 -7.943 4.498 3.299 698 HD21 LEU 80 3HD2 LEU 80 -5.603 3.674 2.862 699 HD22 LEU 80 1HD2 LEU 80 -4.472 3.441 4.197 700 HD23 LEU 80 2HD2 LEU 80 -4.913 5.074 3.686 701 H GLU 81 H GLU 81 -6.966 7.151 7.080 702 HA GLU 81 HA GLU 81 -7.404 8.463 4.608 703 HB2 GLU 81 2HB GLU 81 -8.475 9.110 7.386 704 HB3 GLU 81 3HB GLU 81 -9.090 9.795 5.881 705 HG2 GLU 81 2HG GLU 81 -9.692 7.487 5.120 706 HG3 GLU 81 3HG GLU 81 -9.149 6.864 6.670 707 H GLN 82 H GLN 82 -5.591 9.351 7.528 708 HA GLN 82 HA GLN 82 -5.161 12.084 6.878 709 HB2 GLN 82 2HB GLN 82 -3.672 10.147 8.679 710 HB3 GLN 82 3HB GLN 82 -3.069 11.779 8.414 711 HG2 GLN 82 2HG GLN 82 -5.760 11.056 9.597 712 HG3 GLN 82 3HG GLN 82 -4.351 11.623 10.485 713 HE21 GLN 82 1HE2 GLN 82 -3.605 13.690 8.580 714 HE22 GLN 82 2HE2 GLN 82 -4.800 14.928 8.694 715 H VAL 83 H VAL 83 -3.386 9.119 6.032 716 HA VAL 83 HA VAL 83 -1.226 10.447 4.712 717 HB VAL 83 HB VAL 83 -2.216 7.616 4.153 718 HG11 VAL 83 1HG1 VAL 83 0.519 8.878 3.697 719 HG12 VAL 83 2HG1 VAL 83 -0.653 8.448 2.449 720 HG13 VAL 83 3HG1 VAL 83 0.105 7.184 3.415 721 HG21 VAL 83 3HG2 VAL 83 -1.793 7.853 6.557 722 HG22 VAL 83 1HG2 VAL 83 -0.186 8.506 6.238 723 HG23 VAL 83 2HG2 VAL 83 -0.562 6.833 5.817 724 H VAL 84 H VAL 84 -4.391 9.183 3.602 725 HA VAL 84 HA VAL 84 -3.990 9.643 0.829 726 HB VAL 84 HB VAL 84 -6.677 9.667 2.285 727 HG11 VAL 84 1HG1 VAL 84 -6.852 10.593 0.021 728 HG12 VAL 84 2HG1 VAL 84 -7.614 9.005 0.072 729 HG13 VAL 84 3HG1 VAL 84 -6.017 9.190 -0.652 730 HG21 VAL 84 3HG2 VAL 84 -5.234 7.299 1.028 731 HG22 VAL 84 1HG2 VAL 84 -6.855 7.271 1.729 732 HG23 VAL 84 2HG2 VAL 84 -5.454 7.574 2.755 733 H LYS 85 H LYS 85 -5.239 11.707 3.428 734 HA LYS 85 HA LYS 85 -5.996 13.955 1.824 735 HB2 LYS 85 2HB LYS 85 -5.315 13.708 4.780 736 HB3 LYS 85 3HB LYS 85 -5.920 15.189 4.044 737 HG2 LYS 85 2HG LYS 85 -8.046 14.152 3.521 738 HG3 LYS 85 3HG LYS 85 -7.445 12.566 4.023 739 HD2 LYS 85 2HD LYS 85 -8.880 13.541 5.767 740 HD3 LYS 85 3HD LYS 85 -7.224 13.371 6.349 741 HE2 LYS 85 2HE LYS 85 -8.199 15.520 7.041 742 HE3 LYS 85 3HE LYS 85 -6.834 15.775 5.956 743 HZ1 LYS 85 3HZ LYS 85 -9.706 15.899 5.211 744 HZ2 LYS 85 1HZ LYS 85 -8.416 16.120 4.142 745 HZ3 LYS 85 2HZ LYS 85 -8.671 17.221 5.399 746 H ASP 86 H ASP 86 -3.042 12.929 3.371 747 HA ASP 86 HA ASP 86 -1.513 15.317 3.193 748 HB2 ASP 86 2HB ASP 86 -0.820 13.696 4.798 749 HB3 ASP 86 3HB ASP 86 -0.868 12.376 3.636 750 H VAL 87 H VAL 87 -1.542 12.357 1.185 751 HA VAL 87 HA VAL 87 0.306 13.377 -0.771 752 HB VAL 87 HB VAL 87 0.139 10.946 -0.221 753 HG11 VAL 87 1HG1 VAL 87 -1.698 9.572 -1.068 754 HG12 VAL 87 2HG1 VAL 87 -2.526 11.009 -1.668 755 HG13 VAL 87 3HG1 VAL 87 -2.293 10.784 0.067 756 HG21 VAL 87 3HG2 VAL 87 -0.429 11.525 -3.156 757 HG22 VAL 87 1HG2 VAL 87 0.318 10.057 -2.516 758 HG23 VAL 87 2HG2 VAL 87 1.149 11.606 -2.374 759 H LYS 88 H LYS 88 -3.179 13.277 -0.424 760 HA LYS 88 HA LYS 88 -3.594 14.667 -2.986 761 HB2 LYS 88 2HB LYS 88 -4.036 12.209 -3.313 762 HB3 LYS 88 3HB LYS 88 -5.263 12.281 -2.051 763 HG2 LYS 88 2HG LYS 88 -6.321 12.323 -4.244 764 HG3 LYS 88 3HG LYS 88 -6.571 13.880 -3.447 765 HD2 LYS 88 2HD LYS 88 -4.657 14.814 -4.759 766 HD3 LYS 88 3HD LYS 88 -4.497 13.269 -5.592 767 HE2 LYS 88 2HE LYS 88 -6.897 15.117 -5.700 768 HE3 LYS 88 3HE LYS 88 -5.693 14.907 -6.966 769 HZ1 LYS 88 3HZ LYS 88 -7.670 13.651 -7.451 770 HZ2 LYS 88 1HZ LYS 88 -7.562 12.828 -5.978 771 HZ3 LYS 88 2HZ LYS 88 -6.386 12.597 -7.168 772 H GLY 89 H GLY 89 -4.145 16.600 -2.138 773 HA2 GLY 89 2HA GLY 89 -5.595 17.080 0.237 774 HA3 GLY 89 3HA GLY 89 -5.296 18.247 -1.041 775 H SER 90 H SER 90 -6.731 16.179 -2.885 776 HA SER 90 HA SER 90 -9.478 17.082 -2.462 777 HB2 SER 90 2HB SER 90 -8.277 15.355 -4.668 778 HB3 SER 90 3HB SER 90 -9.904 16.038 -4.669 779 HG SER 90 HG SER 90 -7.994 17.936 -4.242 780 H GLY 91 H GLY 91 -8.092 15.081 -0.619 781 HA2 GLY 91 2HA GLY 91 -9.589 12.613 -0.832 782 HA3 GLY 91 3HA GLY 91 -8.588 13.152 0.512 783 H LEU 92 H LEU 92 -11.374 14.774 -0.975 784 HA LEU 92 HA LEU 92 -12.687 15.110 1.603 785 HB2 LEU 92 2HB LEU 92 -13.258 16.175 -1.188 786 HB3 LEU 92 3HB LEU 92 -14.422 16.341 0.113 787 HG LEU 92 HG LEU 92 -12.716 17.663 1.417 788 HD11 LEU 92 1HD1 LEU 92 -11.094 17.604 -1.136 789 HD12 LEU 92 2HD1 LEU 92 -10.659 16.857 0.403 790 HD13 LEU 92 3HD1 LEU 92 -10.770 18.610 0.279 791 HD21 LEU 92 3HD2 LEU 92 -13.476 18.806 -1.292 792 HD22 LEU 92 1HD2 LEU 92 -12.998 19.741 0.128 793 HD23 LEU 92 2HD2 LEU 92 -14.482 18.796 0.159 794 H GLU 93 H GLU 93 -13.429 13.105 2.160 795 HA GLU 93 HA GLU 93 -15.187 11.584 0.421 796 HB2 GLU 93 2HB GLU 93 -13.594 10.963 2.690 797 HB3 GLU 93 3HB GLU 93 -15.240 10.793 3.269 798 HG2 GLU 93 2HG GLU 93 -14.112 9.420 0.817 799 HG3 GLU 93 3HG GLU 93 -14.265 8.688 2.403 800 H HIS 94 H HIS 94 -17.358 11.824 0.341 801 HA HIS 94 HA HIS 94 -18.585 14.069 1.614 802 HB2 HIS 94 2HB HIS 94 -20.671 13.380 0.425 803 HB3 HIS 94 3HB HIS 94 -19.282 13.488 -0.642 804 HD1 HIS 94 HD1 HIS 94 -21.884 11.161 0.544 805 HD2 HIS 94 HD2 HIS 94 -18.335 10.952 -1.611 806 HE1 HIS 94 HE1 HIS 94 -21.897 8.910 -0.577 807 HE2 HIS 94 HE2 HIS 94 -19.703 8.772 -1.790 808 H HIS 95 H HIS 95 -20.761 13.873 2.722 809 HA HIS 95 HA HIS 95 -20.076 13.111 5.299 810 HB2 HIS 95 2HB HIS 95 -21.688 14.959 4.651 811 HB3 HIS 95 3HB HIS 95 -22.908 13.727 4.341 812 HD1 HIS 95 HD1 HIS 95 -23.650 12.297 6.496 813 HD2 HIS 95 HD2 HIS 95 -21.446 15.728 7.281 814 HE1 HIS 95 HE1 HIS 95 -24.003 12.778 8.924 815 HE2 HIS 95 HE2 HIS 95 -22.855 14.973 9.311 816 H HIS 96 H HIS 96 -20.413 11.395 6.548 817 HA HIS 96 HA HIS 96 -21.347 8.903 5.278 818 HB2 HIS 96 2HB HIS 96 -19.725 9.269 7.850 819 HB3 HIS 96 3HB HIS 96 -19.934 7.780 6.930 820 HD1 HIS 96 HD1 HIS 96 -18.008 10.983 6.978 821 HD2 HIS 96 HD2 HIS 96 -18.292 7.564 4.641 822 HE1 HIS 96 HE1 HIS 96 -16.051 11.058 5.421 823 HE2 HIS 96 HE2 HIS 96 -16.321 9.054 3.944 824 H HIS 97 H HIS 97 -21.954 7.313 7.416 825 HA HIS 97 HA HIS 97 -24.429 8.336 8.499 826 HB2 HIS 97 2HB HIS 97 -22.942 5.770 9.225 827 HB3 HIS 97 3HB HIS 97 -24.616 6.146 9.615 828 HD1 HIS 97 HD1 HIS 97 -22.841 4.109 7.392 829 HD2 HIS 97 HD2 HIS 97 -26.044 6.709 6.903 830 HE1 HIS 97 HE1 HIS 97 -24.002 3.364 5.294 831 HE2 HIS 97 HE2 HIS 97 -25.961 4.920 5.044 832 H HIS 98 H HIS 98 -23.952 10.100 9.804 833 HA HIS 98 HA HIS 98 -21.757 10.112 11.676 834 HB2 HIS 98 2HB HIS 98 -22.441 12.181 10.518 835 HB3 HIS 98 3HB HIS 98 -24.014 12.124 11.304 836 HD1 HIS 98 HD1 HIS 98 -24.172 13.508 13.371 837 HD2 HIS 98 HD2 HIS 98 -20.239 12.479 12.524 838 HE1 HIS 98 HE1 HIS 98 -22.786 14.642 15.126 839 HE2 HIS 98 HE2 HIS 98 -20.410 14.119 14.514 840 H HIS 99 H HIS 99 -21.969 8.732 13.323 841 HA HIS 99 HA HIS 99 -24.352 8.374 14.892 842 HB2 HIS 99 2HB HIS 99 -21.457 7.557 15.412 843 HB3 HIS 99 3HB HIS 99 -22.803 7.111 16.453 844 HD1 HIS 99 HD1 HIS 99 -24.184 5.108 15.764 845 HD2 HIS 99 HD2 HIS 99 -21.507 6.287 12.812 846 HE1 HIS 99 HE1 HIS 99 -24.213 3.273 14.050 847 HE2 HIS 99 HE2 HIS 99 -22.686 4.065 12.227 Start of MODEL 9 1 H1 MET 1 1H MET 1 4.981 13.626 -11.507 2 H2 MET 1 2H MET 1 5.692 12.221 -10.900 3 H3 MET 1 3H MET 1 5.588 13.602 -9.930 4 HA MET 1 HA MET 1 3.221 13.485 -9.896 5 HB2 MET 1 2HB MET 1 2.907 12.446 -12.124 6 HB3 MET 1 3HB MET 1 3.593 10.942 -11.532 7 HG2 MET 1 2HG MET 1 1.672 10.783 -9.913 8 HG3 MET 1 3HG MET 1 0.972 12.202 -10.690 9 HE1 MET 1 3HE MET 1 2.940 9.184 -12.368 10 HE2 MET 1 1HE MET 1 1.591 8.139 -12.811 11 HE3 MET 1 2HE MET 1 1.968 8.411 -11.112 12 H GLY 2 H GLY 2 3.501 13.285 -7.716 13 HA2 GLY 2 2HA GLY 2 4.426 10.805 -6.474 14 HA3 GLY 2 3HA GLY 2 3.897 12.272 -5.657 15 H ARG 3 H ARG 3 2.685 9.558 -7.594 16 HA ARG 3 HA ARG 3 -0.060 9.876 -6.663 17 HB2 ARG 3 2HB ARG 3 0.499 9.187 -9.016 18 HB3 ARG 3 3HB ARG 3 1.155 7.673 -8.402 19 HG2 ARG 3 2HG ARG 3 -1.037 6.959 -7.643 20 HG3 ARG 3 3HG ARG 3 -1.729 8.545 -7.995 21 HD2 ARG 3 2HD ARG 3 -0.613 6.616 -10.051 22 HD3 ARG 3 3HD ARG 3 -2.324 6.873 -9.707 23 HE ARG 3 HE ARG 3 -0.505 8.906 -10.857 24 HH11 ARG 3 1HH1 ARG 3 -3.734 7.536 -10.581 25 HH12 ARG 3 2HH1 ARG 3 -4.427 8.630 -11.736 26 HH21 ARG 3 1HH2 ARG 3 -1.406 10.331 -12.353 27 HH22 ARG 3 2HH2 ARG 3 -3.088 10.225 -12.744 28 H LEU 4 H LEU 4 -1.215 8.067 -5.580 29 HA LEU 4 HA LEU 4 0.488 6.801 -3.522 30 HB2 LEU 4 2HB LEU 4 -1.380 8.492 -2.963 31 HB3 LEU 4 3HB LEU 4 -2.519 7.243 -3.426 32 HG LEU 4 HG LEU 4 -1.538 5.764 -1.619 33 HD11 LEU 4 1HD1 LEU 4 0.672 6.775 -1.415 34 HD12 LEU 4 2HD1 LEU 4 -0.157 6.789 0.137 35 HD13 LEU 4 3HD1 LEU 4 -0.039 8.275 -0.809 36 HD21 LEU 4 3HD2 LEU 4 -2.678 8.405 -0.658 37 HD22 LEU 4 1HD2 LEU 4 -2.663 6.884 0.241 38 HD23 LEU 4 2HD2 LEU 4 -3.611 7.022 -1.236 39 H VAL 5 H VAL 5 0.588 4.619 -3.317 40 HA VAL 5 HA VAL 5 -1.595 2.914 -4.388 41 HB VAL 5 HB VAL 5 1.389 2.256 -4.243 42 HG11 VAL 5 1HG1 VAL 5 0.827 -0.050 -4.990 43 HG12 VAL 5 2HG1 VAL 5 -0.889 0.310 -4.784 44 HG13 VAL 5 3HG1 VAL 5 0.182 0.290 -3.381 45 HG21 VAL 5 3HG2 VAL 5 -0.563 2.181 -6.571 46 HG22 VAL 5 1HG2 VAL 5 1.152 1.764 -6.649 47 HG23 VAL 5 2HG2 VAL 5 0.660 3.421 -6.289 48 H VAL 6 H VAL 6 -2.661 1.811 -2.884 49 HA VAL 6 HA VAL 6 -1.690 1.783 -0.094 50 HB VAL 6 HB VAL 6 -4.520 1.423 -1.190 51 HG11 VAL 6 1HG1 VAL 6 -5.260 1.586 1.170 52 HG12 VAL 6 2HG1 VAL 6 -3.574 1.592 1.694 53 HG13 VAL 6 3HG1 VAL 6 -4.243 0.170 0.889 54 HG21 VAL 6 3HG2 VAL 6 -3.301 3.820 0.237 55 HG22 VAL 6 1HG2 VAL 6 -4.995 3.653 -0.231 56 HG23 VAL 6 2HG2 VAL 6 -3.742 3.742 -1.471 57 H VAL 7 H VAL 7 -0.527 -0.063 0.097 58 HA VAL 7 HA VAL 7 -1.361 -2.610 -1.032 59 HB VAL 7 HB VAL 7 0.900 -2.025 0.930 60 HG11 VAL 7 1HG1 VAL 7 1.896 -4.128 0.112 61 HG12 VAL 7 2HG1 VAL 7 0.488 -4.401 -0.916 62 HG13 VAL 7 3HG1 VAL 7 0.311 -4.407 0.839 63 HG21 VAL 7 3HG2 VAL 7 1.213 -0.659 -1.062 64 HG22 VAL 7 1HG2 VAL 7 1.009 -2.072 -2.099 65 HG23 VAL 7 2HG2 VAL 7 2.407 -1.957 -1.025 66 H VAL 8 H VAL 8 -2.787 -3.857 -0.029 67 HA VAL 8 HA VAL 8 -3.090 -3.855 2.924 68 HB VAL 8 HB VAL 8 -5.469 -4.511 2.580 69 HG11 VAL 8 1HG1 VAL 8 -6.366 -2.331 1.822 70 HG12 VAL 8 2HG1 VAL 8 -4.781 -1.900 1.170 71 HG13 VAL 8 3HG1 VAL 8 -4.992 -2.123 2.909 72 HG21 VAL 8 3HG2 VAL 8 -4.967 -4.027 -0.387 73 HG22 VAL 8 1HG2 VAL 8 -6.533 -4.367 0.352 74 HG23 VAL 8 2HG2 VAL 8 -5.268 -5.593 0.370 75 H THR 9 H THR 9 -3.471 -5.967 3.846 76 HA THR 9 HA THR 9 -2.751 -8.268 2.126 77 HB THR 9 HB THR 9 -2.413 -9.426 4.414 78 HG1 THR 9 HG1 THR 9 -1.871 -7.112 5.728 79 HG21 THR 9 3HG2 THR 9 -0.586 -7.083 3.744 80 HG22 THR 9 1HG2 THR 9 -0.495 -8.697 3.031 81 HG23 THR 9 2HG2 THR 9 -0.168 -8.471 4.750 82 H SER 10 H SER 10 -5.544 -6.811 3.000 83 HA SER 10 HA SER 10 -7.031 -9.358 3.168 84 HB2 SER 10 2HB SER 10 -7.522 -6.967 4.995 85 HB3 SER 10 3HB SER 10 -8.475 -8.448 4.955 86 HG SER 10 HG SER 10 -6.007 -9.239 5.268 87 H GLU 11 H GLU 11 -8.877 -9.431 2.014 88 HA GLU 11 HA GLU 11 -9.582 -7.585 0.036 89 HB2 GLU 11 2HB GLU 11 -10.915 -10.004 1.251 90 HB3 GLU 11 3HB GLU 11 -11.896 -8.974 0.219 91 HG2 GLU 11 2HG GLU 11 -9.259 -10.164 -0.676 92 HG3 GLU 11 3HG GLU 11 -10.813 -10.966 -0.899 93 H GLN 12 H GLN 12 -10.899 -8.014 3.295 94 HA GLN 12 HA GLN 12 -13.075 -6.258 3.180 95 HB2 GLN 12 2HB GLN 12 -12.941 -6.198 5.659 96 HB3 GLN 12 3HB GLN 12 -12.772 -7.832 5.029 97 HG2 GLN 12 2HG GLN 12 -10.311 -7.680 5.343 98 HG3 GLN 12 3HG GLN 12 -10.510 -6.073 6.032 99 HE21 GLN 12 1HE2 GLN 12 -11.063 -9.489 6.527 100 HE22 GLN 12 2HE2 GLN 12 -11.321 -9.395 8.232 101 H LEU 13 H LEU 13 -9.649 -5.624 3.725 102 HA LEU 13 HA LEU 13 -9.955 -2.815 4.359 103 HB2 LEU 13 2HB LEU 13 -7.457 -4.401 3.648 104 HB3 LEU 13 3HB LEU 13 -7.481 -2.786 4.340 105 HG LEU 13 HG LEU 13 -8.514 -5.276 5.755 106 HD11 LEU 13 1HD1 LEU 13 -5.883 -3.824 6.173 107 HD12 LEU 13 2HD1 LEU 13 -6.088 -5.410 5.428 108 HD13 LEU 13 3HD1 LEU 13 -6.491 -5.181 7.127 109 HD21 LEU 13 3HD2 LEU 13 -9.640 -3.240 6.514 110 HD22 LEU 13 1HD2 LEU 13 -8.082 -2.460 6.809 111 HD23 LEU 13 2HD2 LEU 13 -8.571 -3.860 7.768 112 H LYS 14 H LYS 14 -9.270 -4.781 1.525 113 HA LYS 14 HA LYS 14 -8.261 -2.770 -0.185 114 HB2 LYS 14 2HB LYS 14 -7.878 -5.104 -0.673 115 HB3 LYS 14 3HB LYS 14 -9.601 -5.433 -0.785 116 HG2 LYS 14 2HG LYS 14 -9.794 -4.422 -2.895 117 HG3 LYS 14 3HG LYS 14 -8.317 -3.475 -2.698 118 HD2 LYS 14 2HD LYS 14 -6.924 -5.238 -3.304 119 HD3 LYS 14 3HD LYS 14 -8.040 -6.476 -2.722 120 HE2 LYS 14 2HE LYS 14 -8.508 -4.822 -5.225 121 HE3 LYS 14 3HE LYS 14 -7.772 -6.428 -5.211 122 HZ1 LYS 14 3HZ LYS 14 -10.487 -5.797 -4.186 123 HZ2 LYS 14 1HZ LYS 14 -9.779 -7.329 -4.245 124 HZ3 LYS 14 2HZ LYS 14 -10.153 -6.512 -5.675 125 H GLU 15 H GLU 15 -11.528 -4.241 -0.080 126 HA GLU 15 HA GLU 15 -12.797 -2.429 -1.820 127 HB2 GLU 15 2HB GLU 15 -14.921 -3.294 -0.897 128 HB3 GLU 15 3HB GLU 15 -13.790 -4.594 -1.253 129 HG2 GLU 15 2HG GLU 15 -13.221 -4.775 1.139 130 HG3 GLU 15 3HG GLU 15 -14.318 -3.446 1.499 131 H GLU 16 H GLU 16 -12.012 -2.172 1.565 132 HA GLU 16 HA GLU 16 -13.751 -0.148 2.463 133 HB2 GLU 16 2HB GLU 16 -11.915 -1.752 3.643 134 HB3 GLU 16 3HB GLU 16 -10.886 -0.351 3.462 135 HG2 GLU 16 2HG GLU 16 -13.493 -0.454 4.993 136 HG3 GLU 16 3HG GLU 16 -11.888 -0.570 5.706 137 H VAL 17 H VAL 17 -10.340 0.089 1.410 138 HA VAL 17 HA VAL 17 -10.220 2.911 1.355 139 HB VAL 17 HB VAL 17 -8.379 1.039 -0.191 140 HG11 VAL 17 1HG1 VAL 17 -8.114 3.415 -0.779 141 HG12 VAL 17 2HG1 VAL 17 -6.700 2.838 0.103 142 HG13 VAL 17 3HG1 VAL 17 -7.904 3.832 0.925 143 HG21 VAL 17 3HG2 VAL 17 -8.104 1.907 2.708 144 HG22 VAL 17 1HG2 VAL 17 -6.924 0.963 1.792 145 HG23 VAL 17 2HG2 VAL 17 -8.512 0.286 2.153 146 H ARG 18 H ARG 18 -10.706 0.508 -1.293 147 HA ARG 18 HA ARG 18 -10.685 2.363 -3.429 148 HB2 ARG 18 2HB ARG 18 -12.052 -0.362 -3.304 149 HB3 ARG 18 3HB ARG 18 -11.783 0.568 -4.777 150 HG2 ARG 18 2HG ARG 18 -9.312 0.418 -4.352 151 HG3 ARG 18 3HG ARG 18 -9.659 -0.637 -2.983 152 HD2 ARG 18 2HD ARG 18 -9.067 -2.045 -4.822 153 HD3 ARG 18 3HD ARG 18 -10.815 -2.203 -4.603 154 HE ARG 18 HE ARG 18 -10.149 -0.175 -6.508 155 HH11 ARG 18 1HH1 ARG 18 -10.513 -3.676 -6.208 156 HH12 ARG 18 2HH1 ARG 18 -10.825 -3.901 -7.899 157 HH21 ARG 18 1HH2 ARG 18 -10.517 -0.484 -8.701 158 HH22 ARG 18 2HH2 ARG 18 -10.826 -2.082 -9.321 159 H LYS 19 H LYS 19 -13.255 1.315 -1.257 160 HA LYS 19 HA LYS 19 -15.533 2.329 -2.583 161 HB2 LYS 19 2HB LYS 19 -15.735 0.865 -0.626 162 HB3 LYS 19 3HB LYS 19 -14.926 2.050 0.393 163 HG2 LYS 19 2HG LYS 19 -16.913 3.611 -0.106 164 HG3 LYS 19 3HG LYS 19 -17.715 2.198 -0.789 165 HD2 LYS 19 2HD LYS 19 -16.724 2.488 2.070 166 HD3 LYS 19 3HD LYS 19 -18.407 2.564 1.549 167 HE2 LYS 19 2HE LYS 19 -18.242 0.196 0.787 168 HE3 LYS 19 3HE LYS 19 -16.580 0.140 1.382 169 HZ1 LYS 19 3HZ LYS 19 -18.944 0.720 3.079 170 HZ2 LYS 19 1HZ LYS 19 -17.355 0.493 3.601 171 HZ3 LYS 19 2HZ LYS 19 -18.217 -0.798 2.944 172 H LYS 20 H LYS 20 -13.497 3.758 -0.027 173 HA LYS 20 HA LYS 20 -14.859 6.305 -0.098 174 HB2 LYS 20 2HB LYS 20 -12.307 5.387 1.280 175 HB3 LYS 20 3HB LYS 20 -13.083 6.943 1.564 176 HG2 LYS 20 2HG LYS 20 -14.828 6.032 2.786 177 HG3 LYS 20 3HG LYS 20 -14.790 4.500 1.908 178 HD2 LYS 20 2HD LYS 20 -14.092 4.121 4.187 179 HD3 LYS 20 3HD LYS 20 -12.724 3.879 3.106 180 HE2 LYS 20 2HE LYS 20 -11.753 5.996 3.774 181 HE3 LYS 20 3HE LYS 20 -13.183 6.392 4.732 182 HZ1 LYS 20 3HZ LYS 20 -11.377 4.082 5.247 183 HZ2 LYS 20 1HZ LYS 20 -12.725 4.521 6.166 184 HZ3 LYS 20 2HZ LYS 20 -11.378 5.540 6.115 185 H PHE 21 H PHE 21 -12.036 4.964 -1.673 186 HA PHE 21 HA PHE 21 -11.341 7.527 -2.943 187 HB2 PHE 21 2HB PHE 21 -9.163 5.736 -1.774 188 HB3 PHE 21 3HB PHE 21 -8.988 7.354 -2.439 189 HD1 PHE 21 HD1 PHE 21 -10.109 9.318 -1.139 190 HD2 PHE 21 HD2 PHE 21 -9.480 5.432 0.552 191 HE1 PHE 21 HE1 PHE 21 -10.403 10.239 1.131 192 HE2 PHE 21 HE2 PHE 21 -9.777 6.374 2.800 193 HZ PHE 21 HZ PHE 21 -10.237 8.751 3.093 194 HA PRO 22 HA PRO 22 -11.280 4.090 -6.105 195 HB2 PRO 22 2HB PRO 22 -12.772 5.340 -8.000 196 HB3 PRO 22 3HB PRO 22 -13.531 4.553 -6.599 197 HG2 PRO 22 2HG PRO 22 -12.915 7.475 -6.993 198 HG3 PRO 22 3HG PRO 22 -14.419 6.717 -6.421 199 HD2 PRO 22 2HD PRO 22 -12.571 7.771 -4.708 200 HD3 PRO 22 3HD PRO 22 -13.593 6.381 -4.276 201 H GLN 23 H GLN 23 -10.016 7.218 -5.808 202 HA GLN 23 HA GLN 23 -8.897 7.507 -8.479 203 HB2 GLN 23 2HB GLN 23 -7.965 9.616 -7.733 204 HB3 GLN 23 3HB GLN 23 -9.631 9.528 -7.195 205 HG2 GLN 23 2HG GLN 23 -7.450 8.724 -5.279 206 HG3 GLN 23 3HG GLN 23 -7.716 10.434 -5.600 207 HE21 GLN 23 1HE2 GLN 23 -8.209 10.596 -3.336 208 HE22 GLN 23 2HE2 GLN 23 -9.772 10.161 -2.751 209 H VAL 24 H VAL 24 -7.935 6.129 -5.457 210 HA VAL 24 HA VAL 24 -5.074 6.049 -6.204 211 HB VAL 24 HB VAL 24 -4.580 5.360 -3.918 212 HG11 VAL 24 1HG1 VAL 24 -5.255 7.376 -2.666 213 HG12 VAL 24 2HG1 VAL 24 -6.466 7.745 -3.898 214 HG13 VAL 24 3HG1 VAL 24 -4.751 7.772 -4.309 215 HG21 VAL 24 3HG2 VAL 24 -6.528 3.962 -3.414 216 HG22 VAL 24 1HG2 VAL 24 -7.574 5.385 -3.370 217 HG23 VAL 24 2HG2 VAL 24 -6.313 5.173 -2.150 218 H GLU 25 H GLU 25 -3.957 4.037 -6.319 219 HA GLU 25 HA GLU 25 -5.650 1.752 -7.040 220 HB2 GLU 25 2HB GLU 25 -2.702 2.334 -7.513 221 HB3 GLU 25 3HB GLU 25 -3.425 0.772 -7.882 222 HG2 GLU 25 2HG GLU 25 -4.167 3.441 -9.115 223 HG3 GLU 25 3HG GLU 25 -3.301 2.129 -9.904 224 H VAL 26 H VAL 26 -6.143 0.354 -5.533 225 HA VAL 26 HA VAL 26 -4.406 -0.050 -3.182 226 HB VAL 26 HB VAL 26 -7.331 -0.835 -3.568 227 HG11 VAL 26 1HG1 VAL 26 -6.211 -2.242 -1.895 228 HG12 VAL 26 2HG1 VAL 26 -7.356 -1.153 -1.109 229 HG13 VAL 26 3HG1 VAL 26 -5.626 -0.804 -1.052 230 HG21 VAL 26 3HG2 VAL 26 -6.180 1.554 -2.087 231 HG22 VAL 26 1HG2 VAL 26 -7.885 1.102 -2.148 232 HG23 VAL 26 2HG2 VAL 26 -7.054 1.616 -3.619 233 H ARG 27 H ARG 27 -3.162 -1.800 -3.225 234 HA ARG 27 HA ARG 27 -3.778 -4.048 -5.037 235 HB2 ARG 27 2HB ARG 27 -1.141 -3.041 -3.904 236 HB3 ARG 27 3HB ARG 27 -1.301 -4.513 -4.849 237 HG2 ARG 27 2HG ARG 27 -1.860 -1.698 -5.829 238 HG3 ARG 27 3HG ARG 27 -0.452 -2.690 -6.218 239 HD2 ARG 27 2HD ARG 27 -1.807 -2.943 -8.108 240 HD3 ARG 27 3HD ARG 27 -2.193 -4.386 -7.176 241 HE ARG 27 HE ARG 27 -4.293 -3.416 -6.582 242 HH11 ARG 27 1HH1 ARG 27 -2.541 -1.547 -8.995 243 HH12 ARG 27 2HH1 ARG 27 -3.953 -0.677 -9.515 244 HH21 ARG 27 1HH2 ARG 27 -6.108 -2.199 -7.228 245 HH22 ARG 27 2HH2 ARG 27 -5.959 -1.045 -8.518 246 H LEU 28 H LEU 28 -4.159 -5.993 -4.216 247 HA LEU 28 HA LEU 28 -4.085 -6.487 -1.350 248 HB2 LEU 28 2HB LEU 28 -6.018 -7.187 -2.765 249 HB3 LEU 28 3HB LEU 28 -4.967 -8.257 -3.671 250 HG LEU 28 HG LEU 28 -4.584 -9.610 -1.599 251 HD11 LEU 28 1HD1 LEU 28 -5.968 -9.255 0.386 252 HD12 LEU 28 2HD1 LEU 28 -6.637 -7.784 -0.326 253 HD13 LEU 28 3HD1 LEU 28 -4.919 -7.873 0.078 254 HD21 LEU 28 3HD2 LEU 28 -6.335 -10.297 -3.161 255 HD22 LEU 28 1HD2 LEU 28 -7.508 -9.275 -2.327 256 HD23 LEU 28 2HD2 LEU 28 -6.800 -10.666 -1.502 257 H VAL 29 H VAL 29 -2.719 -7.953 -0.342 258 HA VAL 29 HA VAL 29 -0.797 -9.504 -1.981 259 HB VAL 29 HB VAL 29 -0.303 -8.209 0.744 260 HG11 VAL 29 1HG1 VAL 29 1.971 -9.192 0.651 261 HG12 VAL 29 2HG1 VAL 29 1.529 -10.084 -0.806 262 HG13 VAL 29 3HG1 VAL 29 0.728 -10.443 0.726 263 HG21 VAL 29 3HG2 VAL 29 -0.063 -6.641 -1.130 264 HG22 VAL 29 1HG2 VAL 29 1.037 -7.756 -1.949 265 HG23 VAL 29 2HG2 VAL 29 1.516 -6.996 -0.427 266 H THR 30 H THR 30 -1.696 -11.439 -2.009 267 HA THR 30 HA THR 30 -2.725 -12.755 0.410 268 HB THR 30 HB THR 30 -3.328 -14.609 -1.201 269 HG1 THR 30 HG1 THR 30 -2.637 -12.798 -3.292 270 HG21 THR 30 3HG2 THR 30 -5.013 -12.863 -0.722 271 HG22 THR 30 1HG2 THR 30 -5.140 -13.436 -2.387 272 HG23 THR 30 2HG2 THR 30 -4.377 -11.883 -2.044 273 H THR 31 H THR 31 -0.222 -13.007 -2.066 274 HA THR 31 HA THR 31 1.312 -15.003 -0.488 275 HB THR 31 HB THR 31 2.100 -15.921 -2.690 276 HG1 THR 31 HG1 THR 31 0.003 -14.582 -4.015 277 HG21 THR 31 3HG2 THR 31 0.031 -17.111 -3.340 278 HG22 THR 31 1HG2 THR 31 -0.933 -15.963 -2.409 279 HG23 THR 31 2HG2 THR 31 0.190 -17.047 -1.584 280 H GLU 32 H GLU 32 3.709 -15.003 -1.206 281 HA GLU 32 HA GLU 32 4.947 -12.504 -0.906 282 HB2 GLU 32 2HB GLU 32 6.227 -14.477 -0.375 283 HB3 GLU 32 3HB GLU 32 6.016 -15.135 -1.997 284 HG2 GLU 32 2HG GLU 32 7.371 -13.171 -2.872 285 HG3 GLU 32 3HG GLU 32 7.702 -12.733 -1.206 286 H GLU 33 H GLU 33 4.511 -14.517 -3.814 287 HA GLU 33 HA GLU 33 5.830 -12.781 -5.605 288 HB2 GLU 33 2HB GLU 33 3.758 -14.937 -6.183 289 HB3 GLU 33 3HB GLU 33 4.759 -14.148 -7.402 290 HG2 GLU 33 2HG GLU 33 6.801 -15.022 -6.214 291 HG3 GLU 33 3HG GLU 33 5.737 -15.900 -5.123 292 H ASP 34 H ASP 34 2.525 -12.853 -4.420 293 HA ASP 34 HA ASP 34 1.361 -11.049 -6.274 294 HB2 ASP 34 2HB ASP 34 0.148 -12.560 -4.584 295 HB3 ASP 34 3HB ASP 34 0.542 -11.373 -3.352 296 H ALA 35 H ALA 35 2.981 -10.607 -3.127 297 HA ALA 35 HA ALA 35 2.881 -7.796 -2.971 298 HB1 ALA 35 3HB ALA 35 5.019 -9.649 -1.865 299 HB2 ALA 35 1HB ALA 35 3.513 -9.213 -1.061 300 HB3 ALA 35 2HB ALA 35 4.733 -7.978 -1.370 301 H LYS 36 H LYS 36 5.199 -9.981 -4.577 302 HA LYS 36 HA LYS 36 7.133 -8.067 -5.349 303 HB2 LYS 36 2HB LYS 36 6.380 -10.719 -6.652 304 HB3 LYS 36 3HB LYS 36 7.815 -9.783 -7.061 305 HG2 LYS 36 2HG LYS 36 8.705 -10.094 -4.784 306 HG3 LYS 36 3HG LYS 36 7.238 -10.965 -4.319 307 HD2 LYS 36 2HD LYS 36 9.067 -12.553 -4.798 308 HD3 LYS 36 3HD LYS 36 7.758 -12.745 -5.967 309 HE2 LYS 36 2HE LYS 36 9.074 -11.344 -7.584 310 HE3 LYS 36 3HE LYS 36 10.392 -11.296 -6.415 311 HZ1 LYS 36 3HZ LYS 36 10.750 -12.985 -8.089 312 HZ2 LYS 36 1HZ LYS 36 9.307 -13.756 -7.681 313 HZ3 LYS 36 2HZ LYS 36 10.572 -13.694 -6.571 314 H GLN 37 H GLN 37 4.132 -9.158 -6.897 315 HA GLN 37 HA GLN 37 4.283 -7.769 -9.348 316 HB2 GLN 37 2HB GLN 37 1.778 -8.349 -7.700 317 HB3 GLN 37 3HB GLN 37 1.804 -7.932 -9.408 318 HG2 GLN 37 2HG GLN 37 2.850 -10.043 -9.972 319 HG3 GLN 37 3HG GLN 37 3.056 -10.436 -8.266 320 HE21 GLN 37 1HE2 GLN 37 1.811 -12.295 -8.252 321 HE22 GLN 37 2HE2 GLN 37 0.109 -12.300 -8.552 322 H VAL 38 H VAL 38 2.915 -6.869 -6.198 323 HA VAL 38 HA VAL 38 2.005 -4.295 -6.752 324 HB VAL 38 HB VAL 38 3.142 -5.326 -4.111 325 HG11 VAL 38 1HG1 VAL 38 1.261 -3.002 -4.643 326 HG12 VAL 38 2HG1 VAL 38 2.934 -2.887 -4.088 327 HG13 VAL 38 3HG1 VAL 38 1.706 -3.612 -3.049 328 HG21 VAL 38 3HG2 VAL 38 0.274 -5.391 -5.119 329 HG22 VAL 38 1HG2 VAL 38 0.810 -5.884 -3.508 330 HG23 VAL 38 2HG2 VAL 38 1.337 -6.782 -4.930 331 H ILE 39 H ILE 39 5.217 -5.352 -5.584 332 HA ILE 39 HA ILE 39 6.366 -2.865 -4.993 333 HB ILE 39 HB ILE 39 7.693 -5.479 -5.866 334 HG12 ILE 39 2HG1 ILE 39 7.407 -4.266 -3.078 335 HG13 ILE 39 3HG1 ILE 39 6.374 -5.528 -3.723 336 HG21 ILE 39 1HG2 ILE 39 9.057 -3.040 -4.660 337 HG22 ILE 39 2HG2 ILE 39 9.266 -3.641 -6.307 338 HG23 ILE 39 3HG2 ILE 39 9.817 -4.609 -4.940 339 HD11 ILE 39 3HD1 ILE 39 8.310 -7.025 -3.876 340 HD12 ILE 39 1HD1 ILE 39 8.015 -6.457 -2.234 341 HD13 ILE 39 2HD1 ILE 39 9.330 -5.762 -3.181 342 H LYS 40 H LYS 40 6.396 -4.731 -8.026 343 HA LYS 40 HA LYS 40 8.088 -2.952 -9.482 344 HB2 LYS 40 2HB LYS 40 6.133 -5.060 -10.481 345 HB3 LYS 40 3HB LYS 40 7.317 -4.235 -11.493 346 HG2 LYS 40 2HG LYS 40 9.152 -5.207 -10.187 347 HG3 LYS 40 3HG LYS 40 7.992 -5.996 -9.112 348 HD2 LYS 40 2HD LYS 40 7.130 -7.309 -11.055 349 HD3 LYS 40 3HD LYS 40 8.346 -6.550 -12.088 350 HE2 LYS 40 2HE LYS 40 10.138 -7.564 -10.782 351 HE3 LYS 40 3HE LYS 40 8.968 -8.232 -9.640 352 HZ1 LYS 40 3HZ LYS 40 9.651 -9.923 -11.165 353 HZ2 LYS 40 1HZ LYS 40 9.261 -8.963 -12.504 354 HZ3 LYS 40 2HZ LYS 40 8.039 -9.539 -11.490 355 H GLU 41 H GLU 41 4.588 -3.189 -9.007 356 HA GLU 41 HA GLU 41 3.814 -1.347 -11.037 357 HB2 GLU 41 2HB GLU 41 2.257 -3.014 -9.991 358 HB3 GLU 41 3HB GLU 41 2.282 -2.072 -8.498 359 HG2 GLU 41 2HG GLU 41 1.460 -0.101 -9.850 360 HG3 GLU 41 3HG GLU 41 1.239 -1.195 -11.208 361 H ILE 42 H ILE 42 4.463 -1.008 -7.572 362 HA ILE 42 HA ILE 42 3.979 1.690 -7.130 363 HB ILE 42 HB ILE 42 6.123 -0.140 -5.951 364 HG12 ILE 42 2HG1 ILE 42 3.464 0.757 -4.735 365 HG13 ILE 42 3HG1 ILE 42 3.706 -0.784 -5.544 366 HG21 ILE 42 1HG2 ILE 42 5.268 2.580 -4.929 367 HG22 ILE 42 2HG2 ILE 42 6.828 2.194 -5.652 368 HG23 ILE 42 3HG2 ILE 42 6.371 1.477 -4.104 369 HD11 ILE 42 3HD1 ILE 42 3.763 -1.059 -3.149 370 HD12 ILE 42 1HD1 ILE 42 5.069 0.118 -3.007 371 HD13 ILE 42 2HD1 ILE 42 5.348 -1.418 -3.832 372 H GLN 43 H GLN 43 6.906 0.080 -8.340 373 HA GLN 43 HA GLN 43 8.493 2.411 -8.686 374 HB2 GLN 43 2HB GLN 43 8.737 -0.366 -9.911 375 HB3 GLN 43 3HB GLN 43 9.976 0.883 -10.034 376 HG2 GLN 43 2HG GLN 43 10.249 0.884 -7.585 377 HG3 GLN 43 3HG GLN 43 8.967 -0.318 -7.437 378 HE21 GLN 43 1HE2 GLN 43 10.369 -1.732 -6.381 379 HE22 GLN 43 2HE2 GLN 43 11.606 -2.596 -7.214 380 H LYS 44 H LYS 44 6.227 0.699 -10.768 381 HA LYS 44 HA LYS 44 6.802 1.910 -13.243 382 HB2 LYS 44 2HB LYS 44 5.385 -0.096 -13.048 383 HB3 LYS 44 3HB LYS 44 4.167 0.809 -12.157 384 HG2 LYS 44 2HG LYS 44 3.384 0.485 -14.417 385 HG3 LYS 44 3HG LYS 44 3.763 2.197 -14.213 386 HD2 LYS 44 2HD LYS 44 5.911 1.863 -15.386 387 HD3 LYS 44 3HD LYS 44 5.560 0.141 -15.568 388 HE2 LYS 44 2HE LYS 44 5.082 1.347 -17.646 389 HE3 LYS 44 3HE LYS 44 3.594 0.692 -16.967 390 HZ1 LYS 44 3HZ LYS 44 4.516 3.509 -16.794 391 HZ2 LYS 44 1HZ LYS 44 3.125 2.904 -16.057 392 HZ3 LYS 44 2HZ LYS 44 3.245 2.924 -17.739 393 H LYS 45 H LYS 45 4.396 2.805 -10.735 394 HA LYS 45 HA LYS 45 3.566 5.214 -12.089 395 HB2 LYS 45 2HB LYS 45 2.769 3.738 -9.638 396 HB3 LYS 45 3HB LYS 45 2.672 5.478 -9.443 397 HG2 LYS 45 2HG LYS 45 0.522 4.663 -10.108 398 HG3 LYS 45 3HG LYS 45 1.200 5.594 -11.446 399 HD2 LYS 45 2HD LYS 45 0.172 3.639 -12.375 400 HD3 LYS 45 3HD LYS 45 1.917 3.404 -12.484 401 HE2 LYS 45 2HE LYS 45 0.849 1.354 -11.780 402 HE3 LYS 45 3HE LYS 45 1.821 1.987 -10.454 403 HZ1 LYS 45 3HZ LYS 45 -0.309 1.187 -9.669 404 HZ2 LYS 45 1HZ LYS 45 -1.131 2.222 -10.726 405 HZ3 LYS 45 2HZ LYS 45 -0.218 2.861 -9.457 406 H GLY 46 H GLY 46 6.123 4.409 -9.916 407 HA2 GLY 46 2HA GLY 46 7.806 5.675 -8.973 408 HA3 GLY 46 3HA GLY 46 7.201 7.073 -9.852 409 H VAL 47 H VAL 47 5.773 4.934 -7.438 410 HA VAL 47 HA VAL 47 4.389 7.077 -6.079 411 HB VAL 47 HB VAL 47 4.610 4.090 -5.494 412 HG11 VAL 47 1HG1 VAL 47 4.024 5.274 -3.424 413 HG12 VAL 47 2HG1 VAL 47 2.656 4.336 -4.022 414 HG13 VAL 47 3HG1 VAL 47 2.691 6.084 -4.251 415 HG21 VAL 47 3HG2 VAL 47 2.381 5.652 -6.818 416 HG22 VAL 47 1HG2 VAL 47 2.369 3.927 -6.454 417 HG23 VAL 47 2HG2 VAL 47 3.516 4.565 -7.627 418 H GLN 48 H GLN 48 5.544 8.323 -4.772 419 HA GLN 48 HA GLN 48 8.076 7.601 -3.649 420 HB2 GLN 48 2HB GLN 48 6.289 10.039 -3.219 421 HB3 GLN 48 3HB GLN 48 7.931 9.893 -2.611 422 HG2 GLN 48 2HG GLN 48 7.175 9.813 -5.552 423 HG3 GLN 48 3HG GLN 48 7.773 11.240 -4.707 424 HE21 GLN 48 1HE2 GLN 48 8.910 9.698 -7.000 425 HE22 GLN 48 2HE2 GLN 48 10.509 9.279 -6.512 426 H LYS 49 H LYS 49 4.806 7.970 -2.394 427 HA LYS 49 HA LYS 49 5.614 6.936 0.271 428 HB2 LYS 49 2HB LYS 49 3.401 8.877 -0.538 429 HB3 LYS 49 3HB LYS 49 3.595 8.220 1.087 430 HG2 LYS 49 2HG LYS 49 5.693 9.350 1.402 431 HG3 LYS 49 3HG LYS 49 5.781 9.805 -0.300 432 HD2 LYS 49 2HD LYS 49 3.694 10.824 1.667 433 HD3 LYS 49 3HD LYS 49 5.142 11.703 1.172 434 HE2 LYS 49 2HE LYS 49 4.282 11.500 -1.229 435 HE3 LYS 49 3HE LYS 49 2.758 10.946 -0.532 436 HZ1 LYS 49 3HZ LYS 49 2.614 13.042 0.684 437 HZ2 LYS 49 1HZ LYS 49 2.717 13.307 -0.983 438 HZ3 LYS 49 2HZ LYS 49 4.070 13.556 -0.006 439 H VAL 50 H VAL 50 4.886 4.907 0.595 440 HA VAL 50 HA VAL 50 2.452 3.950 -0.807 441 HB VAL 50 HB VAL 50 4.835 2.362 0.264 442 HG11 VAL 50 1HG1 VAL 50 2.785 1.032 0.471 443 HG12 VAL 50 2HG1 VAL 50 3.793 0.395 -0.830 444 HG13 VAL 50 3HG1 VAL 50 2.371 1.369 -1.213 445 HG21 VAL 50 3HG2 VAL 50 5.371 3.628 -1.777 446 HG22 VAL 50 1HG2 VAL 50 3.976 2.917 -2.595 447 HG23 VAL 50 2HG2 VAL 50 5.329 1.894 -2.106 448 H VAL 51 H VAL 51 0.755 3.279 0.398 449 HA VAL 51 HA VAL 51 0.844 3.460 3.316 450 HB VAL 51 HB VAL 51 -1.549 2.802 1.537 451 HG11 VAL 51 1HG1 VAL 51 -2.905 3.515 3.457 452 HG12 VAL 51 2HG1 VAL 51 -1.444 3.826 4.392 453 HG13 VAL 51 3HG1 VAL 51 -1.841 2.180 3.899 454 HG21 VAL 51 3HG2 VAL 51 -0.654 4.993 0.886 455 HG22 VAL 51 1HG2 VAL 51 -0.728 5.531 2.564 456 HG23 VAL 51 2HG2 VAL 51 -2.215 5.157 1.691 457 H LEU 52 H LEU 52 1.640 1.621 4.256 458 HA LEU 52 HA LEU 52 0.897 -1.039 3.237 459 HB2 LEU 52 2HB LEU 52 2.968 -0.117 5.270 460 HB3 LEU 52 3HB LEU 52 2.681 -1.798 4.855 461 HG LEU 52 HG LEU 52 3.675 0.335 2.913 462 HD11 LEU 52 1HD1 LEU 52 5.388 -0.253 4.556 463 HD12 LEU 52 2HD1 LEU 52 5.819 -0.833 2.956 464 HD13 LEU 52 3HD1 LEU 52 5.201 -1.959 4.167 465 HD21 LEU 52 3HD2 LEU 52 3.298 -2.643 2.496 466 HD22 LEU 52 1HD2 LEU 52 4.065 -1.532 1.355 467 HD23 LEU 52 2HD2 LEU 52 2.361 -1.344 1.753 468 H VAL 53 H VAL 53 -1.184 -1.276 3.919 469 HA VAL 53 HA VAL 53 -2.045 -0.737 6.635 470 HB VAL 53 HB VAL 53 -3.640 -1.958 4.336 471 HG11 VAL 53 1HG1 VAL 53 -4.606 -0.705 6.936 472 HG12 VAL 53 2HG1 VAL 53 -4.648 -2.423 6.533 473 HG13 VAL 53 3HG1 VAL 53 -5.642 -1.283 5.626 474 HG21 VAL 53 3HG2 VAL 53 -4.593 0.283 3.963 475 HG22 VAL 53 1HG2 VAL 53 -2.846 0.276 3.701 476 HG23 VAL 53 2HG2 VAL 53 -3.513 0.953 5.188 477 H GLY 54 H GLY 54 -1.223 -2.187 8.024 478 HA2 GLY 54 2HA GLY 54 -1.080 -4.075 9.284 479 HA3 GLY 54 3HA GLY 54 -2.543 -4.594 8.462 480 H VAL 55 H VAL 55 0.632 -4.026 6.979 481 HA VAL 55 HA VAL 55 0.698 -6.776 5.957 482 HB VAL 55 HB VAL 55 2.480 -6.089 4.477 483 HG11 VAL 55 1HG1 VAL 55 1.450 -4.245 3.186 484 HG12 VAL 55 2HG1 VAL 55 0.416 -3.853 4.562 485 HG13 VAL 55 3HG1 VAL 55 0.242 -5.406 3.744 486 HG21 VAL 55 3HG2 VAL 55 3.535 -3.840 4.509 487 HG22 VAL 55 1HG2 VAL 55 3.863 -4.756 5.982 488 HG23 VAL 55 2HG2 VAL 55 2.664 -3.462 5.999 489 H SER 56 H SER 56 2.408 -8.240 6.445 490 HA SER 56 HA SER 56 3.525 -8.190 9.024 491 HB2 SER 56 2HB SER 56 3.205 -10.270 7.679 492 HB3 SER 56 3HB SER 56 4.499 -9.760 6.591 493 HG SER 56 HG SER 56 4.659 -10.517 9.317 494 H GLU 57 H GLU 57 5.736 -7.851 9.718 495 HA GLU 57 HA GLU 57 6.900 -5.467 8.728 496 HB2 GLU 57 2HB GLU 57 8.025 -7.536 10.657 497 HB3 GLU 57 3HB GLU 57 8.732 -5.943 10.382 498 HG2 GLU 57 2HG GLU 57 6.722 -4.858 11.254 499 HG3 GLU 57 3HG GLU 57 5.923 -6.421 11.429 500 H LYS 58 H LYS 58 7.562 -8.829 7.991 501 HA LYS 58 HA LYS 58 10.036 -8.471 6.647 502 HB2 LYS 58 2HB LYS 58 9.581 -10.651 5.567 503 HB3 LYS 58 3HB LYS 58 9.312 -10.705 7.303 504 HG2 LYS 58 2HG LYS 58 6.911 -10.701 7.008 505 HG3 LYS 58 3HG LYS 58 7.073 -10.392 5.276 506 HD2 LYS 58 2HD LYS 58 6.517 -12.758 5.712 507 HD3 LYS 58 3HD LYS 58 8.102 -12.607 4.953 508 HE2 LYS 58 2HE LYS 58 9.178 -12.922 7.163 509 HE3 LYS 58 3HE LYS 58 7.588 -13.066 7.915 510 HZ1 LYS 58 3HZ LYS 58 7.177 -15.026 6.539 511 HZ2 LYS 58 1HZ LYS 58 8.539 -15.230 7.516 512 HZ3 LYS 58 2HZ LYS 58 8.723 -14.901 5.875 513 H LEU 59 H LEU 59 6.657 -8.217 5.563 514 HA LEU 59 HA LEU 59 7.238 -7.727 2.782 515 HB2 LEU 59 2HB LEU 59 4.715 -7.189 4.418 516 HB3 LEU 59 3HB LEU 59 4.814 -7.081 2.667 517 HG LEU 59 HG LEU 59 5.197 -9.644 4.273 518 HD11 LEU 59 1HD1 LEU 59 2.862 -8.854 4.357 519 HD12 LEU 59 2HD1 LEU 59 3.005 -10.332 3.407 520 HD13 LEU 59 3HD1 LEU 59 2.815 -8.776 2.593 521 HD21 LEU 59 3HD2 LEU 59 6.498 -9.667 2.202 522 HD22 LEU 59 1HD2 LEU 59 5.069 -9.210 1.268 523 HD23 LEU 59 2HD2 LEU 59 5.135 -10.777 2.082 524 H LEU 60 H LEU 60 6.723 -5.814 5.673 525 HA LEU 60 HA LEU 60 6.322 -3.262 4.595 526 HB2 LEU 60 2HB LEU 60 5.826 -3.906 6.905 527 HB3 LEU 60 3HB LEU 60 7.526 -4.146 7.250 528 HG LEU 60 HG LEU 60 6.522 -1.376 6.490 529 HD11 LEU 60 1HD1 LEU 60 6.414 -2.545 9.293 530 HD12 LEU 60 2HD1 LEU 60 5.024 -2.133 8.285 531 HD13 LEU 60 3HD1 LEU 60 6.103 -0.862 8.852 532 HD21 LEU 60 3HD2 LEU 60 8.973 -1.696 6.639 533 HD22 LEU 60 1HD2 LEU 60 8.803 -2.278 8.295 534 HD23 LEU 60 2HD2 LEU 60 8.399 -0.604 7.897 535 H GLN 61 H GLN 61 9.302 -4.774 5.792 536 HA GLN 61 HA GLN 61 11.065 -2.671 4.975 537 HB2 GLN 61 2HB GLN 61 11.615 -5.532 5.863 538 HB3 GLN 61 3HB GLN 61 12.849 -4.283 5.698 539 HG2 GLN 61 2HG GLN 61 11.913 -3.002 7.513 540 HG3 GLN 61 3HG GLN 61 10.470 -4.009 7.559 541 HE21 GLN 61 1HE2 GLN 61 10.705 -4.522 9.716 542 HE22 GLN 61 2HE2 GLN 61 11.953 -5.548 10.322 543 H LYS 62 H LYS 62 9.696 -5.381 3.314 544 HA LYS 62 HA LYS 62 11.786 -5.748 1.358 545 HB2 LYS 62 2HB LYS 62 10.301 -7.601 2.078 546 HB3 LYS 62 3HB LYS 62 8.916 -6.775 1.368 547 HG2 LYS 62 2HG LYS 62 9.826 -7.052 -0.866 548 HG3 LYS 62 3HG LYS 62 11.340 -7.692 -0.215 549 HD2 LYS 62 2HD LYS 62 10.094 -9.639 0.711 550 HD3 LYS 62 3HD LYS 62 8.606 -9.011 -0.001 551 HE2 LYS 62 2HE LYS 62 9.459 -9.343 -2.236 552 HE3 LYS 62 3HE LYS 62 11.068 -9.725 -1.618 553 HZ1 LYS 62 3HZ LYS 62 9.797 -11.701 -2.255 554 HZ2 LYS 62 1HZ LYS 62 8.647 -11.343 -1.069 555 HZ3 LYS 62 2HZ LYS 62 10.233 -11.713 -0.628 556 H ILE 63 H ILE 63 8.450 -4.456 1.226 557 HA ILE 63 HA ILE 63 8.508 -3.338 -1.345 558 HB ILE 63 HB ILE 63 6.860 -2.791 1.143 559 HG12 ILE 63 2HG1 ILE 63 4.932 -3.401 -0.370 560 HG13 ILE 63 3HG1 ILE 63 6.068 -3.635 -1.687 561 HG21 ILE 63 1HG2 ILE 63 6.657 -1.041 -1.330 562 HG22 ILE 63 2HG2 ILE 63 7.145 -0.522 0.285 563 HG23 ILE 63 3HG2 ILE 63 5.493 -1.067 -0.003 564 HD11 ILE 63 3HD1 ILE 63 5.374 -5.751 -0.778 565 HD12 ILE 63 1HD1 ILE 63 5.879 -5.266 0.841 566 HD13 ILE 63 2HD1 ILE 63 7.085 -5.504 -0.426 567 H LYS 64 H LYS 64 9.644 -2.111 1.770 568 HA LYS 64 HA LYS 64 10.310 0.533 1.073 569 HB2 LYS 64 2HB LYS 64 10.109 -0.413 3.397 570 HB3 LYS 64 3HB LYS 64 11.619 -1.266 3.166 571 HG2 LYS 64 2HG LYS 64 11.525 1.746 2.936 572 HG3 LYS 64 3HG LYS 64 11.570 0.972 4.515 573 HD2 LYS 64 2HD LYS 64 13.695 -0.199 3.803 574 HD3 LYS 64 3HD LYS 64 13.669 0.768 2.325 575 HE2 LYS 64 2HE LYS 64 15.174 1.778 3.961 576 HE3 LYS 64 3HE LYS 64 13.784 2.834 3.707 577 HZ1 LYS 64 3HZ LYS 64 14.046 0.928 5.973 578 HZ2 LYS 64 1HZ LYS 64 12.838 2.087 5.762 579 HZ3 LYS 64 2HZ LYS 64 14.426 2.573 6.064 580 H GLN 65 H GLN 65 12.353 -2.427 1.139 581 HA GLN 65 HA GLN 65 14.756 -1.005 0.501 582 HB2 GLN 65 2HB GLN 65 15.892 -3.143 0.536 583 HB3 GLN 65 3HB GLN 65 14.759 -3.062 1.876 584 HG2 GLN 65 2HG GLN 65 13.160 -4.455 0.534 585 HG3 GLN 65 3HG GLN 65 14.406 -4.629 -0.695 586 HE21 GLN 65 1HE2 GLN 65 13.453 -5.497 2.558 587 HE22 GLN 65 2HE2 GLN 65 14.585 -6.787 2.748 588 H GLU 66 H GLU 66 12.435 -2.831 -1.433 589 HA GLU 66 HA GLU 66 14.136 -2.881 -3.798 590 HB2 GLU 66 2HB GLU 66 11.289 -3.842 -3.326 591 HB3 GLU 66 3HB GLU 66 12.123 -3.978 -4.871 592 HG2 GLU 66 2HG GLU 66 13.890 -5.355 -3.704 593 HG3 GLU 66 3HG GLU 66 12.862 -5.333 -2.270 594 H ALA 67 H ALA 67 10.995 -1.372 -2.886 595 HA ALA 67 HA ALA 67 10.843 0.060 -5.401 596 HB1 ALA 67 3HB ALA 67 8.815 -0.847 -4.359 597 HB2 ALA 67 1HB ALA 67 8.702 0.897 -4.597 598 HB3 ALA 67 2HB ALA 67 9.018 0.244 -2.987 599 H ASN 68 H ASN 68 12.127 0.735 -2.253 600 HA ASN 68 HA ASN 68 13.417 2.439 -1.456 601 HB2 ASN 68 2HB ASN 68 13.304 3.379 -4.356 602 HB3 ASN 68 3HB ASN 68 14.212 4.241 -3.125 603 HD21 ASN 68 1HD2 ASN 68 14.109 0.716 -3.111 604 HD22 ASN 68 2HD2 ASN 68 15.738 0.511 -3.624 605 H VAL 69 H VAL 69 10.998 2.621 -0.551 606 HA VAL 69 HA VAL 69 9.830 5.264 -1.244 607 HB VAL 69 HB VAL 69 7.566 4.242 -0.926 608 HG11 VAL 69 1HG1 VAL 69 9.219 2.917 -3.101 609 HG12 VAL 69 2HG1 VAL 69 8.477 4.516 -3.189 610 HG13 VAL 69 3HG1 VAL 69 7.461 3.078 -3.086 611 HG21 VAL 69 3HG2 VAL 69 8.157 2.334 0.505 612 HG22 VAL 69 1HG2 VAL 69 9.074 1.595 -0.810 613 HG23 VAL 69 2HG2 VAL 69 7.320 1.761 -0.939 614 H GLN 70 H GLN 70 8.509 6.249 0.345 615 HA GLN 70 HA GLN 70 9.252 5.913 3.096 616 HB2 GLN 70 2HB GLN 70 7.134 7.644 1.741 617 HB3 GLN 70 3HB GLN 70 7.363 7.620 3.487 618 HG2 GLN 70 2HG GLN 70 8.487 9.553 2.645 619 HG3 GLN 70 3HG GLN 70 9.735 8.397 3.115 620 HE21 GLN 70 1HE2 GLN 70 11.016 7.468 1.487 621 HE22 GLN 70 2HE2 GLN 70 11.056 8.087 -0.120 622 H VAL 71 H VAL 71 8.257 4.684 4.585 623 HA VAL 71 HA VAL 71 5.994 2.978 3.815 624 HB VAL 71 HB VAL 71 8.052 2.832 6.060 625 HG11 VAL 71 1HG1 VAL 71 6.978 0.699 6.790 626 HG12 VAL 71 2HG1 VAL 71 5.621 1.044 5.718 627 HG13 VAL 71 3HG1 VAL 71 5.961 2.112 7.076 628 HG21 VAL 71 3HG2 VAL 71 8.809 2.061 3.847 629 HG22 VAL 71 1HG2 VAL 71 7.444 0.944 3.756 630 HG23 VAL 71 2HG2 VAL 71 8.700 0.706 4.975 631 H TYR 72 H TYR 72 3.997 3.360 4.583 632 HA TYR 72 HA TYR 72 3.659 4.806 7.148 633 HB2 TYR 72 2HB TYR 72 1.849 4.780 4.685 634 HB3 TYR 72 3HB TYR 72 1.415 5.510 6.233 635 HD1 TYR 72 HD2 TYR 72 3.661 5.794 3.295 636 HD2 TYR 72 HD1 TYR 72 2.430 7.630 6.955 637 HE1 TYR 72 HE2 TYR 72 4.880 7.830 2.693 638 HE2 TYR 72 HE1 TYR 72 3.663 9.669 6.343 639 HH TYR 72 HH TYR 72 5.546 10.307 4.893 640 H ARG 73 H ARG 73 3.577 3.154 8.492 641 HA ARG 73 HA ARG 73 2.161 0.690 8.074 642 HB2 ARG 73 2HB ARG 73 4.100 0.641 9.515 643 HB3 ARG 73 3HB ARG 73 3.486 1.955 10.511 644 HG2 ARG 73 2HG ARG 73 3.305 -0.166 11.702 645 HG3 ARG 73 3HG ARG 73 1.700 0.477 11.363 646 HD2 ARG 73 2HD ARG 73 1.603 -1.094 9.364 647 HD3 ARG 73 3HD ARG 73 3.107 -1.822 9.958 648 HE ARG 73 HE ARG 73 0.923 -1.666 11.866 649 HH11 ARG 73 1HH1 ARG 73 2.551 -3.707 9.528 650 HH12 ARG 73 2HH1 ARG 73 1.910 -5.174 10.185 651 HH21 ARG 73 1HH2 ARG 73 0.112 -3.594 12.730 652 HH22 ARG 73 2HH2 ARG 73 0.528 -5.112 11.997 653 H VAL 74 H VAL 74 0.034 0.701 8.007 654 HA VAL 74 HA VAL 74 -1.577 2.561 9.665 655 HB VAL 74 HB VAL 74 -1.966 1.578 6.800 656 HG11 VAL 74 1HG1 VAL 74 -4.090 2.813 6.723 657 HG12 VAL 74 2HG1 VAL 74 -3.964 3.157 8.448 658 HG13 VAL 74 3HG1 VAL 74 -4.154 1.493 7.891 659 HG21 VAL 74 3HG2 VAL 74 -1.659 4.392 7.919 660 HG22 VAL 74 1HG2 VAL 74 -1.941 3.990 6.222 661 HG23 VAL 74 2HG2 VAL 74 -0.441 3.493 7.010 662 H THR 75 H THR 75 -2.919 1.562 11.041 663 HA THR 75 HA THR 75 -4.269 -0.946 10.270 664 HB THR 75 HB THR 75 -4.158 -1.659 12.738 665 HG1 THR 75 HG1 THR 75 -3.343 -0.154 13.970 666 HG21 THR 75 3HG2 THR 75 -1.487 -1.610 11.270 667 HG22 THR 75 1HG2 THR 75 -2.762 -2.812 11.038 668 HG23 THR 75 2HG2 THR 75 -1.928 -2.698 12.588 669 H SER 76 H SER 76 -4.829 2.070 10.465 670 HA SER 76 HA SER 76 -7.450 1.862 11.806 671 HB2 SER 76 2HB SER 76 -5.912 3.069 13.361 672 HB3 SER 76 3HB SER 76 -5.566 4.253 12.100 673 HG SER 76 HG SER 76 -7.188 5.201 13.146 674 H ASN 77 H ASN 77 -9.082 3.120 10.846 675 HA ASN 77 HA ASN 77 -9.029 3.698 8.115 676 HB2 ASN 77 2HB ASN 77 -10.872 4.944 10.220 677 HB3 ASN 77 3HB ASN 77 -11.159 4.940 8.483 678 HD21 ASN 77 1HD2 ASN 77 -11.170 3.009 11.385 679 HD22 ASN 77 2HD2 ASN 77 -12.017 1.659 10.717 680 H ASP 78 H ASP 78 -8.578 5.764 10.928 681 HA ASP 78 HA ASP 78 -8.408 8.301 9.842 682 HB2 ASP 78 2HB ASP 78 -6.736 7.207 12.154 683 HB3 ASP 78 3HB ASP 78 -7.060 8.907 11.835 684 H GLU 79 H GLU 79 -5.784 5.957 10.411 685 HA GLU 79 HA GLU 79 -3.604 7.517 9.580 686 HB2 GLU 79 2HB GLU 79 -4.027 4.508 9.749 687 HB3 GLU 79 3HB GLU 79 -2.483 5.211 9.292 688 HG2 GLU 79 2HG GLU 79 -3.908 5.663 11.918 689 HG3 GLU 79 3HG GLU 79 -2.537 4.587 11.655 690 H LEU 80 H LEU 80 -5.490 5.077 7.852 691 HA LEU 80 HA LEU 80 -4.233 5.064 5.384 692 HB2 LEU 80 2HB LEU 80 -5.864 3.406 6.098 693 HB3 LEU 80 3HB LEU 80 -7.134 4.604 6.185 694 HG LEU 80 HG LEU 80 -7.118 2.892 4.215 695 HD11 LEU 80 1HD1 LEU 80 -7.541 5.802 3.543 696 HD12 LEU 80 2HD1 LEU 80 -8.710 4.722 4.309 697 HD13 LEU 80 3HD1 LEU 80 -8.175 4.409 2.661 698 HD21 LEU 80 3HD2 LEU 80 -4.766 3.210 3.548 699 HD22 LEU 80 1HD2 LEU 80 -5.135 4.863 3.049 700 HD23 LEU 80 2HD2 LEU 80 -5.884 3.496 2.217 701 H GLU 81 H GLU 81 -7.018 7.007 6.456 702 HA GLU 81 HA GLU 81 -7.423 8.417 4.031 703 HB2 GLU 81 2HB GLU 81 -8.340 9.045 6.871 704 HB3 GLU 81 3HB GLU 81 -8.941 9.856 5.425 705 HG2 GLU 81 2HG GLU 81 -9.908 7.787 4.594 706 HG3 GLU 81 3HG GLU 81 -9.180 6.876 5.912 707 H GLN 82 H GLN 82 -5.454 9.062 6.891 708 HA GLN 82 HA GLN 82 -4.995 11.830 6.380 709 HB2 GLN 82 2HB GLN 82 -3.541 9.844 8.174 710 HB3 GLN 82 3HB GLN 82 -3.006 11.511 8.002 711 HG2 GLN 82 2HG GLN 82 -5.673 10.591 9.097 712 HG3 GLN 82 3HG GLN 82 -4.333 11.265 10.019 713 HE21 GLN 82 1HE2 GLN 82 -7.081 12.212 9.855 714 HE22 GLN 82 2HE2 GLN 82 -7.006 13.836 9.281 715 H VAL 83 H VAL 83 -3.230 8.850 5.510 716 HA VAL 83 HA VAL 83 -1.024 10.244 4.305 717 HB VAL 83 HB VAL 83 -1.889 7.358 3.817 718 HG11 VAL 83 1HG1 VAL 83 -0.318 8.165 2.095 719 HG12 VAL 83 2HG1 VAL 83 0.471 6.986 3.144 720 HG13 VAL 83 3HG1 VAL 83 0.810 8.707 3.346 721 HG21 VAL 83 3HG2 VAL 83 -0.260 6.730 5.555 722 HG22 VAL 83 1HG2 VAL 83 -1.505 7.788 6.223 723 HG23 VAL 83 2HG2 VAL 83 0.097 8.433 5.861 724 H VAL 84 H VAL 84 -4.166 9.139 3.148 725 HA VAL 84 HA VAL 84 -3.825 9.726 0.379 726 HB VAL 84 HB VAL 84 -6.377 9.829 2.062 727 HG11 VAL 84 1HG1 VAL 84 -6.689 11.069 -0.038 728 HG12 VAL 84 2HG1 VAL 84 -7.613 9.569 -0.065 729 HG13 VAL 84 3HG1 VAL 84 -6.099 9.685 -0.963 730 HG21 VAL 84 3HG2 VAL 84 -5.301 7.608 2.108 731 HG22 VAL 84 1HG2 VAL 84 -5.298 7.565 0.344 732 HG23 VAL 84 2HG2 VAL 84 -6.829 7.554 1.226 733 H LYS 85 H LYS 85 -4.574 11.713 3.202 734 HA LYS 85 HA LYS 85 -4.933 14.174 1.705 735 HB2 LYS 85 2HB LYS 85 -4.603 13.695 4.703 736 HB3 LYS 85 3HB LYS 85 -5.050 15.232 3.972 737 HG2 LYS 85 2HG LYS 85 -7.127 14.199 3.074 738 HG3 LYS 85 3HG LYS 85 -6.678 12.673 3.834 739 HD2 LYS 85 2HD LYS 85 -8.315 13.757 5.248 740 HD3 LYS 85 3HD LYS 85 -6.756 13.832 6.072 741 HE2 LYS 85 2HE LYS 85 -6.478 16.168 5.327 742 HE3 LYS 85 3HE LYS 85 -8.018 16.082 4.472 743 HZ1 LYS 85 3HZ LYS 85 -8.245 17.155 6.616 744 HZ2 LYS 85 1HZ LYS 85 -7.668 15.774 7.401 745 HZ3 LYS 85 2HZ LYS 85 -9.132 15.720 6.568 746 H ASP 86 H ASP 86 -2.266 12.436 3.173 747 HA ASP 86 HA ASP 86 -0.417 14.669 3.254 748 HB2 ASP 86 2HB ASP 86 -0.020 11.666 3.640 749 HB3 ASP 86 3HB ASP 86 1.323 12.803 3.699 750 H VAL 87 H VAL 87 -1.337 12.217 0.919 751 HA VAL 87 HA VAL 87 1.096 12.274 -0.572 752 HB VAL 87 HB VAL 87 -0.544 10.363 -0.674 753 HG11 VAL 87 1HG1 VAL 87 -2.126 12.136 -2.556 754 HG12 VAL 87 2HG1 VAL 87 -2.647 11.577 -0.967 755 HG13 VAL 87 3HG1 VAL 87 -2.409 10.415 -2.272 756 HG21 VAL 87 3HG2 VAL 87 1.322 10.533 -2.247 757 HG22 VAL 87 1HG2 VAL 87 0.336 11.502 -3.345 758 HG23 VAL 87 2HG2 VAL 87 -0.084 9.817 -3.036 759 H LYS 88 H LYS 88 -1.955 14.032 -0.837 760 HA LYS 88 HA LYS 88 -0.991 15.713 -3.026 761 HB2 LYS 88 2HB LYS 88 -3.224 16.786 -2.862 762 HB3 LYS 88 3HB LYS 88 -3.348 15.037 -3.001 763 HG2 LYS 88 2HG LYS 88 -3.602 14.983 -0.449 764 HG3 LYS 88 3HG LYS 88 -3.794 16.735 -0.531 765 HD2 LYS 88 2HD LYS 88 -5.990 15.677 -0.456 766 HD3 LYS 88 3HD LYS 88 -5.759 16.422 -2.042 767 HE2 LYS 88 2HE LYS 88 -5.229 14.234 -3.016 768 HE3 LYS 88 3HE LYS 88 -5.351 13.472 -1.429 769 HZ1 LYS 88 3HZ LYS 88 -7.350 13.125 -2.696 770 HZ2 LYS 88 1HZ LYS 88 -7.566 14.791 -2.902 771 HZ3 LYS 88 2HZ LYS 88 -7.687 14.104 -1.364 772 H GLY 89 H GLY 89 -1.365 15.813 0.471 773 HA2 GLY 89 2HA GLY 89 -0.723 18.662 0.703 774 HA3 GLY 89 3HA GLY 89 -1.143 17.558 2.002 775 H SER 90 H SER 90 0.589 18.207 3.305 776 HA SER 90 HA SER 90 3.244 17.199 2.583 777 HB2 SER 90 2HB SER 90 2.769 20.136 3.263 778 HB3 SER 90 3HB SER 90 4.350 19.381 3.056 779 HG SER 90 HG SER 90 3.117 18.781 0.882 780 H GLY 91 H GLY 91 1.199 16.499 4.569 781 HA2 GLY 91 2HA GLY 91 2.071 17.327 7.173 782 HA3 GLY 91 3HA GLY 91 1.049 15.944 6.806 783 H LEU 92 H LEU 92 1.984 13.911 6.437 784 HA LEU 92 HA LEU 92 3.455 12.201 6.345 785 HB2 LEU 92 2HB LEU 92 5.426 14.420 5.725 786 HB3 LEU 92 3HB LEU 92 5.929 12.745 5.816 787 HG LEU 92 HG LEU 92 4.356 12.209 3.921 788 HD11 LEU 92 1HD1 LEU 92 4.023 15.205 3.655 789 HD12 LEU 92 2HD1 LEU 92 2.771 14.059 4.132 790 HD13 LEU 92 3HD1 LEU 92 3.452 13.985 2.507 791 HD21 LEU 92 3HD2 LEU 92 6.726 12.538 3.502 792 HD22 LEU 92 1HD2 LEU 92 6.484 14.279 3.327 793 HD23 LEU 92 2HD2 LEU 92 5.773 13.163 2.159 794 H GLU 93 H GLU 93 3.412 14.294 8.876 795 HA GLU 93 HA GLU 93 5.715 13.139 10.344 796 HB2 GLU 93 2HB GLU 93 4.393 15.875 10.630 797 HB3 GLU 93 3HB GLU 93 5.671 15.273 11.684 798 HG2 GLU 93 2HG GLU 93 7.215 15.170 9.774 799 HG3 GLU 93 3HG GLU 93 5.943 15.738 8.699 800 H HIS 94 H HIS 94 3.062 11.892 10.188 801 HA HIS 94 HA HIS 94 1.799 11.981 12.713 802 HB2 HIS 94 2HB HIS 94 0.717 10.629 11.055 803 HB3 HIS 94 3HB HIS 94 2.184 9.721 10.709 804 HD1 HIS 94 HD1 HIS 94 2.314 7.487 11.755 805 HD2 HIS 94 HD2 HIS 94 -0.279 9.978 13.836 806 HE1 HIS 94 HE1 HIS 94 1.424 6.105 13.644 807 HE2 HIS 94 HE2 HIS 94 -0.142 7.622 14.884 808 H HIS 95 H HIS 95 4.714 10.362 11.571 809 HA HIS 95 HA HIS 95 5.406 9.047 13.999 810 HB2 HIS 95 2HB HIS 95 7.508 8.524 12.931 811 HB3 HIS 95 3HB HIS 95 6.253 8.401 11.702 812 HD1 HIS 95 HD1 HIS 95 6.190 10.404 9.901 813 HD2 HIS 95 HD2 HIS 95 9.540 10.287 12.355 814 HE1 HIS 95 HE1 HIS 95 7.894 11.883 8.807 815 HE2 HIS 95 HE2 HIS 95 9.952 11.636 10.206 816 H HIS 96 H HIS 96 7.365 9.536 15.246 817 HA HIS 96 HA HIS 96 7.877 12.432 15.639 818 HB2 HIS 96 2HB HIS 96 7.717 10.187 17.699 819 HB3 HIS 96 3HB HIS 96 8.323 11.800 18.065 820 HD1 HIS 96 HD1 HIS 96 6.619 13.663 18.383 821 HD2 HIS 96 HD2 HIS 96 4.884 10.051 17.273 822 HE1 HIS 96 HE1 HIS 96 4.147 13.986 18.663 823 HE2 HIS 96 HE2 HIS 96 3.133 11.757 18.117 824 H HIS 97 H HIS 97 10.053 12.976 16.390 825 HA HIS 97 HA HIS 97 12.036 11.288 15.041 826 HB2 HIS 97 2HB HIS 97 13.437 13.191 14.872 827 HB3 HIS 97 3HB HIS 97 11.813 13.799 14.585 828 HD1 HIS 97 HD1 HIS 97 14.650 13.934 17.020 829 HD2 HIS 97 HD2 HIS 97 10.932 15.702 16.466 830 HE1 HIS 97 HE1 HIS 97 14.581 15.873 18.608 831 HE2 HIS 97 HE2 HIS 97 12.419 17.044 18.090 832 H HIS 98 H HIS 98 13.921 10.520 16.016 833 HA HIS 98 HA HIS 98 13.707 9.862 18.821 834 HB2 HIS 98 2HB HIS 98 14.471 8.246 16.994 835 HB3 HIS 98 3HB HIS 98 15.966 9.167 16.883 836 HD1 HIS 98 HD1 HIS 98 14.331 6.466 18.767 837 HD2 HIS 98 HD2 HIS 98 17.625 8.947 19.260 838 HE1 HIS 98 HE1 HIS 98 15.709 5.417 20.583 839 HE2 HIS 98 HE2 HIS 98 17.560 7.059 21.013 840 H HIS 99 H HIS 99 14.706 10.909 20.456 841 HA HIS 99 HA HIS 99 16.573 13.090 19.964 842 HB2 HIS 99 2HB HIS 99 15.276 12.026 22.502 843 HB3 HIS 99 3HB HIS 99 16.541 13.247 22.551 844 HD1 HIS 99 HD1 HIS 99 15.680 15.559 22.623 845 HD2 HIS 99 HD2 HIS 99 13.012 13.008 20.712 846 HE1 HIS 99 HE1 HIS 99 13.704 16.979 22.009 847 HE2 HIS 99 HE2 HIS 99 12.103 15.417 20.864 Start of MODEL 10 1 H1 MET 1 1H MET 1 3.209 16.488 -6.099 2 H2 MET 1 2H MET 1 3.668 15.527 -4.793 3 H3 MET 1 3H MET 1 2.565 16.783 -4.564 4 HA MET 1 HA MET 1 1.478 14.650 -4.574 5 HB2 MET 1 2HB MET 1 0.845 16.462 -6.938 6 HB3 MET 1 3HB MET 1 -0.207 15.147 -6.434 7 HG2 MET 1 2HG MET 1 -0.506 16.240 -4.238 8 HG3 MET 1 3HG MET 1 0.545 17.555 -4.758 9 HE1 MET 1 3HE MET 1 -2.173 15.691 -6.992 10 HE2 MET 1 1HE MET 1 -3.579 16.712 -6.692 11 HE3 MET 1 2HE MET 1 -2.911 15.731 -5.390 12 H GLY 2 H GLY 2 2.972 12.961 -4.916 13 HA2 GLY 2 2HA GLY 2 3.156 11.838 -7.636 14 HA3 GLY 2 3HA GLY 2 3.922 11.209 -6.180 15 H ARG 3 H ARG 3 2.535 9.475 -7.828 16 HA ARG 3 HA ARG 3 -0.206 9.167 -7.052 17 HB2 ARG 3 2HB ARG 3 1.668 7.181 -8.405 18 HB3 ARG 3 3HB ARG 3 -0.078 6.979 -8.247 19 HG2 ARG 3 2HG ARG 3 -0.437 9.006 -9.628 20 HG3 ARG 3 3HG ARG 3 1.311 9.203 -9.789 21 HD2 ARG 3 2HD ARG 3 1.428 6.993 -10.907 22 HD3 ARG 3 3HD ARG 3 -0.328 6.855 -10.793 23 HE ARG 3 HE ARG 3 0.062 9.205 -12.129 24 HH11 ARG 3 1HH1 ARG 3 1.128 5.906 -12.677 25 HH12 ARG 3 2HH1 ARG 3 1.201 6.075 -14.397 26 HH21 ARG 3 1HH2 ARG 3 0.177 9.414 -14.406 27 HH22 ARG 3 2HH2 ARG 3 0.664 8.062 -15.374 28 H LEU 4 H LEU 4 -1.102 7.940 -5.476 29 HA LEU 4 HA LEU 4 0.676 6.722 -3.454 30 HB2 LEU 4 2HB LEU 4 -0.851 8.612 -2.753 31 HB3 LEU 4 3HB LEU 4 -2.229 7.615 -3.187 32 HG LEU 4 HG LEU 4 -1.485 5.935 -1.425 33 HD11 LEU 4 1HD1 LEU 4 0.099 6.665 0.300 34 HD12 LEU 4 2HD1 LEU 4 0.462 8.114 -0.639 35 HD13 LEU 4 3HD1 LEU 4 0.866 6.521 -1.280 36 HD21 LEU 4 3HD2 LEU 4 -2.061 8.702 -0.331 37 HD22 LEU 4 1HD2 LEU 4 -2.355 7.161 0.479 38 HD23 LEU 4 2HD2 LEU 4 -3.275 7.587 -0.964 39 H VAL 5 H VAL 5 0.737 4.543 -3.420 40 HA VAL 5 HA VAL 5 -1.585 2.951 -4.385 41 HB VAL 5 HB VAL 5 1.361 2.140 -4.159 42 HG11 VAL 5 1HG1 VAL 5 -0.985 0.420 -5.065 43 HG12 VAL 5 2HG1 VAL 5 -0.063 0.209 -3.575 44 HG13 VAL 5 3HG1 VAL 5 0.718 -0.042 -5.137 45 HG21 VAL 5 3HG2 VAL 5 1.264 1.920 -6.624 46 HG22 VAL 5 1HG2 VAL 5 0.891 3.568 -6.108 47 HG23 VAL 5 2HG2 VAL 5 -0.409 2.483 -6.611 48 H VAL 6 H VAL 6 -2.719 1.904 -2.878 49 HA VAL 6 HA VAL 6 -1.680 1.642 -0.121 50 HB VAL 6 HB VAL 6 -4.546 1.420 -1.178 51 HG11 VAL 6 1HG1 VAL 6 -5.249 1.359 1.193 52 HG12 VAL 6 2HG1 VAL 6 -3.560 1.330 1.699 53 HG13 VAL 6 3HG1 VAL 6 -4.230 -0.026 0.789 54 HG21 VAL 6 3HG2 VAL 6 -4.949 3.561 -0.003 55 HG22 VAL 6 1HG2 VAL 6 -3.718 3.737 -1.259 56 HG23 VAL 6 2HG2 VAL 6 -3.242 3.643 0.439 57 H VAL 7 H VAL 7 -1.082 -0.341 0.524 58 HA VAL 7 HA VAL 7 -1.889 -2.757 -0.957 59 HB VAL 7 HB VAL 7 0.447 -2.277 0.941 60 HG11 VAL 7 1HG1 VAL 7 -0.225 -4.774 -0.641 61 HG12 VAL 7 2HG1 VAL 7 -0.278 -4.599 1.114 62 HG13 VAL 7 3HG1 VAL 7 1.267 -4.511 0.263 63 HG21 VAL 7 3HG2 VAL 7 0.462 -2.634 -2.075 64 HG22 VAL 7 1HG2 VAL 7 1.888 -2.463 -1.046 65 HG23 VAL 7 2HG2 VAL 7 0.751 -1.123 -1.205 66 H VAL 8 H VAL 8 -3.240 -4.107 0.037 67 HA VAL 8 HA VAL 8 -3.587 -4.090 2.988 68 HB VAL 8 HB VAL 8 -5.997 -4.696 2.611 69 HG11 VAL 8 1HG1 VAL 8 -5.457 -2.345 3.084 70 HG12 VAL 8 2HG1 VAL 8 -6.831 -2.456 1.982 71 HG13 VAL 8 3HG1 VAL 8 -5.234 -2.027 1.361 72 HG21 VAL 8 3HG2 VAL 8 -7.021 -4.372 0.373 73 HG22 VAL 8 1HG2 VAL 8 -5.818 -5.659 0.359 74 HG23 VAL 8 2HG2 VAL 8 -5.426 -4.077 -0.316 75 H THR 9 H THR 9 -3.995 -6.228 3.873 76 HA THR 9 HA THR 9 -3.352 -8.498 2.057 77 HB THR 9 HB THR 9 -2.804 -9.787 4.101 78 HG1 THR 9 HG1 THR 9 -3.143 -7.384 5.589 79 HG21 THR 9 3HG2 THR 9 -0.769 -8.578 4.817 80 HG22 THR 9 1HG2 THR 9 -1.366 -7.098 4.053 81 HG23 THR 9 2HG2 THR 9 -0.955 -8.501 3.065 82 H SER 10 H SER 10 -5.985 -6.961 3.260 83 HA SER 10 HA SER 10 -7.640 -9.393 3.560 84 HB2 SER 10 2HB SER 10 -7.780 -6.833 5.225 85 HB3 SER 10 3HB SER 10 -8.863 -8.221 5.374 86 HG SER 10 HG SER 10 -6.657 -9.362 5.651 87 H GLU 11 H GLU 11 -9.518 -9.370 2.435 88 HA GLU 11 HA GLU 11 -9.993 -7.458 0.398 89 HB2 GLU 11 2HB GLU 11 -11.865 -9.645 1.378 90 HB3 GLU 11 3HB GLU 11 -11.965 -8.795 -0.165 91 HG2 GLU 11 2HG GLU 11 -9.775 -9.760 -0.831 92 HG3 GLU 11 3HG GLU 11 -9.705 -10.629 0.702 93 H GLN 12 H GLN 12 -11.367 -7.848 3.627 94 HA GLN 12 HA GLN 12 -13.540 -6.025 3.316 95 HB2 GLN 12 2HB GLN 12 -12.048 -6.863 5.835 96 HB3 GLN 12 3HB GLN 12 -13.543 -5.932 5.826 97 HG2 GLN 12 2HG GLN 12 -14.726 -7.808 4.776 98 HG3 GLN 12 3HG GLN 12 -13.232 -8.746 4.738 99 HE21 GLN 12 1HE2 GLN 12 -12.379 -9.529 6.738 100 HE22 GLN 12 2HE2 GLN 12 -13.367 -9.654 8.150 101 H LEU 13 H LEU 13 -10.145 -5.637 4.304 102 HA LEU 13 HA LEU 13 -10.260 -2.793 4.692 103 HB2 LEU 13 2HB LEU 13 -7.874 -4.622 4.189 104 HB3 LEU 13 3HB LEU 13 -7.746 -2.929 4.639 105 HG LEU 13 HG LEU 13 -8.918 -5.143 6.374 106 HD11 LEU 13 1HD1 LEU 13 -6.485 -5.313 6.194 107 HD12 LEU 13 2HD1 LEU 13 -6.963 -4.823 7.815 108 HD13 LEU 13 3HD1 LEU 13 -6.307 -3.628 6.693 109 HD21 LEU 13 3HD2 LEU 13 -10.083 -3.042 6.813 110 HD22 LEU 13 1HD2 LEU 13 -8.546 -2.201 7.036 111 HD23 LEU 13 2HD2 LEU 13 -9.044 -3.459 8.170 112 H LYS 14 H LYS 14 -9.737 -4.901 1.932 113 HA LYS 14 HA LYS 14 -8.630 -3.059 0.100 114 HB2 LYS 14 2HB LYS 14 -8.533 -5.470 -0.302 115 HB3 LYS 14 3HB LYS 14 -10.288 -5.569 -0.371 116 HG2 LYS 14 2HG LYS 14 -10.268 -4.173 -2.426 117 HG3 LYS 14 3HG LYS 14 -8.501 -4.148 -2.373 118 HD2 LYS 14 2HD LYS 14 -8.371 -6.525 -2.795 119 HD3 LYS 14 3HD LYS 14 -10.106 -6.733 -2.528 120 HE2 LYS 14 2HE LYS 14 -10.616 -5.484 -4.552 121 HE3 LYS 14 3HE LYS 14 -8.909 -5.110 -4.798 122 HZ1 LYS 14 3HZ LYS 14 -8.478 -7.455 -5.116 123 HZ2 LYS 14 1HZ LYS 14 -9.644 -6.914 -6.209 124 HZ3 LYS 14 2HZ LYS 14 -10.108 -7.823 -4.865 125 H GLU 15 H GLU 15 -12.014 -4.265 0.285 126 HA GLU 15 HA GLU 15 -13.139 -2.433 -1.523 127 HB2 GLU 15 2HB GLU 15 -15.330 -3.126 -0.641 128 HB3 GLU 15 3HB GLU 15 -14.279 -4.517 -0.871 129 HG2 GLU 15 2HG GLU 15 -13.833 -4.630 1.535 130 HG3 GLU 15 3HG GLU 15 -14.797 -3.179 1.805 131 H GLU 16 H GLU 16 -12.386 -2.146 1.860 132 HA GLU 16 HA GLU 16 -13.962 0.044 2.597 133 HB2 GLU 16 2HB GLU 16 -12.791 -1.435 4.186 134 HB3 GLU 16 3HB GLU 16 -11.233 -0.885 3.588 135 HG2 GLU 16 2HG GLU 16 -11.764 0.118 5.752 136 HG3 GLU 16 3HG GLU 16 -11.648 1.351 4.495 137 H VAL 17 H VAL 17 -10.485 -0.003 1.698 138 HA VAL 17 HA VAL 17 -10.227 2.822 1.581 139 HB VAL 17 HB VAL 17 -8.383 0.741 0.318 140 HG11 VAL 17 1HG1 VAL 17 -7.922 3.011 -0.501 141 HG12 VAL 17 2HG1 VAL 17 -6.623 2.476 0.564 142 HG13 VAL 17 3HG1 VAL 17 -7.834 3.614 1.156 143 HG21 VAL 17 3HG2 VAL 17 -8.720 0.263 2.720 144 HG22 VAL 17 1HG2 VAL 17 -8.269 1.921 3.123 145 HG23 VAL 17 2HG2 VAL 17 -7.075 0.827 2.418 146 H ARG 18 H ARG 18 -10.970 0.385 -0.918 147 HA ARG 18 HA ARG 18 -10.732 2.066 -3.187 148 HB2 ARG 18 2HB ARG 18 -12.385 -0.464 -2.788 149 HB3 ARG 18 3HB ARG 18 -12.205 0.349 -4.342 150 HG2 ARG 18 2HG ARG 18 -9.744 -0.038 -4.216 151 HG3 ARG 18 3HG ARG 18 -9.992 -0.942 -2.720 152 HD2 ARG 18 2HD ARG 18 -11.084 -1.646 -5.465 153 HD3 ARG 18 3HD ARG 18 -9.789 -2.481 -4.603 154 HE ARG 18 HE ARG 18 -11.610 -2.942 -2.855 155 HH11 ARG 18 1HH1 ARG 18 -12.303 -2.744 -6.315 156 HH12 ARG 18 2HH1 ARG 18 -13.674 -3.801 -6.213 157 HH21 ARG 18 1HH2 ARG 18 -13.392 -4.357 -2.766 158 HH22 ARG 18 2HH2 ARG 18 -14.290 -4.711 -4.207 159 H LYS 19 H LYS 19 -13.441 1.470 -0.968 160 HA LYS 19 HA LYS 19 -15.421 2.718 -2.664 161 HB2 LYS 19 2HB LYS 19 -15.974 0.912 -1.008 162 HB3 LYS 19 3HB LYS 19 -15.585 2.022 0.291 163 HG2 LYS 19 2HG LYS 19 -18.004 1.876 0.015 164 HG3 LYS 19 3HG LYS 19 -17.447 3.502 -0.387 165 HD2 LYS 19 2HD LYS 19 -19.161 2.748 -1.970 166 HD3 LYS 19 3HD LYS 19 -17.619 2.970 -2.796 167 HE2 LYS 19 2HE LYS 19 -18.811 0.924 -3.538 168 HE3 LYS 19 3HE LYS 19 -17.252 0.542 -2.809 169 HZ1 LYS 19 3HZ LYS 19 -18.994 -0.963 -2.073 170 HZ2 LYS 19 1HZ LYS 19 -19.896 0.333 -1.462 171 HZ3 LYS 19 2HZ LYS 19 -18.404 -0.064 -0.770 172 H LYS 20 H LYS 20 -13.695 3.617 0.323 173 HA LYS 20 HA LYS 20 -14.645 6.270 0.545 174 HB2 LYS 20 2HB LYS 20 -12.207 4.815 1.609 175 HB3 LYS 20 3HB LYS 20 -12.335 6.556 1.823 176 HG2 LYS 20 2HG LYS 20 -14.425 6.281 3.081 177 HG3 LYS 20 3HG LYS 20 -14.369 4.534 2.833 178 HD2 LYS 20 2HD LYS 20 -12.470 4.277 4.249 179 HD3 LYS 20 3HD LYS 20 -12.098 6.004 4.219 180 HE2 LYS 20 2HE LYS 20 -13.063 5.230 6.387 181 HE3 LYS 20 3HE LYS 20 -14.007 6.502 5.622 182 HZ1 LYS 20 3HZ LYS 20 -14.642 3.605 5.681 183 HZ2 LYS 20 1HZ LYS 20 -15.521 4.751 4.807 184 HZ3 LYS 20 2HZ LYS 20 -15.460 4.836 6.492 185 H PHE 21 H PHE 21 -11.813 4.884 -1.129 186 HA PHE 21 HA PHE 21 -11.379 7.414 -2.600 187 HB2 PHE 21 2HB PHE 21 -9.087 5.735 -1.483 188 HB3 PHE 21 3HB PHE 21 -8.962 7.274 -2.324 189 HD1 PHE 21 HD1 PHE 21 -9.893 9.377 -1.162 190 HD2 PHE 21 HD2 PHE 21 -9.306 5.661 0.877 191 HE1 PHE 21 HE1 PHE 21 -9.933 10.543 1.010 192 HE2 PHE 21 HE2 PHE 21 -9.352 6.842 3.027 193 HZ PHE 21 HZ PHE 21 -9.651 9.258 3.103 194 HA PRO 22 HA PRO 22 -11.254 4.049 -5.812 195 HB2 PRO 22 2HB PRO 22 -12.705 5.452 -7.685 196 HB3 PRO 22 3HB PRO 22 -13.466 4.426 -6.450 197 HG2 PRO 22 2HG PRO 22 -13.123 7.408 -6.456 198 HG3 PRO 22 3HG PRO 22 -14.543 6.441 -5.997 199 HD2 PRO 22 2HD PRO 22 -12.830 7.488 -4.147 200 HD3 PRO 22 3HD PRO 22 -13.705 5.964 -3.880 201 H GLN 23 H GLN 23 -10.159 7.193 -5.253 202 HA GLN 23 HA GLN 23 -8.787 7.739 -7.721 203 HB2 GLN 23 2HB GLN 23 -7.766 9.615 -6.445 204 HB3 GLN 23 3HB GLN 23 -9.519 9.574 -6.301 205 HG2 GLN 23 2HG GLN 23 -9.286 8.515 -4.062 206 HG3 GLN 23 3HG GLN 23 -7.534 8.635 -4.212 207 HE21 GLN 23 1HE2 GLN 23 -7.425 9.940 -2.363 208 HE22 GLN 23 2HE2 GLN 23 -7.954 11.582 -2.345 209 H VAL 24 H VAL 24 -7.914 6.083 -4.720 210 HA VAL 24 HA VAL 24 -5.083 5.876 -5.547 211 HB VAL 24 HB VAL 24 -4.602 4.959 -3.320 212 HG11 VAL 24 1HG1 VAL 24 -4.564 7.397 -3.570 213 HG12 VAL 24 2HG1 VAL 24 -5.076 6.953 -1.942 214 HG13 VAL 24 3HG1 VAL 24 -6.271 7.495 -3.126 215 HG21 VAL 24 3HG2 VAL 24 -6.328 4.826 -1.538 216 HG22 VAL 24 1HG2 VAL 24 -6.660 3.710 -2.865 217 HG23 VAL 24 2HG2 VAL 24 -7.577 5.211 -2.726 218 H GLU 25 H GLU 25 -4.124 3.898 -5.950 219 HA GLU 25 HA GLU 25 -5.902 1.726 -6.801 220 HB2 GLU 25 2HB GLU 25 -2.926 2.233 -7.205 221 HB3 GLU 25 3HB GLU 25 -3.767 0.807 -7.814 222 HG2 GLU 25 2HG GLU 25 -5.186 2.183 -9.243 223 HG3 GLU 25 3HG GLU 25 -4.515 3.657 -8.553 224 H VAL 26 H VAL 26 -6.402 0.201 -5.394 225 HA VAL 26 HA VAL 26 -4.699 -0.319 -3.048 226 HB VAL 26 HB VAL 26 -7.620 -1.105 -3.486 227 HG11 VAL 26 1HG1 VAL 26 -7.656 -1.533 -1.050 228 HG12 VAL 26 2HG1 VAL 26 -5.940 -1.137 -0.949 229 HG13 VAL 26 3HG1 VAL 26 -6.462 -2.557 -1.856 230 HG21 VAL 26 3HG2 VAL 26 -8.195 0.774 -1.987 231 HG22 VAL 26 1HG2 VAL 26 -7.368 1.351 -3.439 232 HG23 VAL 26 2HG2 VAL 26 -6.494 1.240 -1.908 233 H ARG 27 H ARG 27 -3.318 -1.912 -3.434 234 HA ARG 27 HA ARG 27 -3.919 -4.207 -5.137 235 HB2 ARG 27 2HB ARG 27 -1.377 -3.084 -3.875 236 HB3 ARG 27 3HB ARG 27 -1.405 -4.652 -4.675 237 HG2 ARG 27 2HG ARG 27 -2.115 -2.012 -6.004 238 HG3 ARG 27 3HG ARG 27 -0.565 -2.848 -6.158 239 HD2 ARG 27 2HD ARG 27 -1.718 -4.792 -7.171 240 HD3 ARG 27 3HD ARG 27 -3.265 -3.959 -7.005 241 HE ARG 27 HE ARG 27 -1.277 -2.537 -8.560 242 HH11 ARG 27 1HH1 ARG 27 -3.906 -4.905 -8.693 243 HH12 ARG 27 2HH1 ARG 27 -4.210 -4.642 -10.378 244 HH21 ARG 27 1HH2 ARG 27 -1.706 -2.221 -10.765 245 HH22 ARG 27 2HH2 ARG 27 -2.961 -3.118 -11.552 246 H LEU 28 H LEU 28 -4.557 -6.081 -4.278 247 HA LEU 28 HA LEU 28 -4.431 -6.602 -1.410 248 HB2 LEU 28 2HB LEU 28 -6.501 -7.124 -2.720 249 HB3 LEU 28 3HB LEU 28 -5.593 -8.286 -3.674 250 HG LEU 28 HG LEU 28 -5.167 -9.607 -1.542 251 HD11 LEU 28 1HD1 LEU 28 -7.167 -7.697 -0.313 252 HD12 LEU 28 2HD1 LEU 28 -5.453 -7.833 0.090 253 HD13 LEU 28 3HD1 LEU 28 -6.544 -9.173 0.432 254 HD21 LEU 28 3HD2 LEU 28 -8.088 -9.240 -2.269 255 HD22 LEU 28 1HD2 LEU 28 -7.390 -10.625 -1.422 256 HD23 LEU 28 2HD2 LEU 28 -6.933 -10.294 -3.090 257 H VAL 29 H VAL 29 -2.717 -7.572 -0.589 258 HA VAL 29 HA VAL 29 -1.058 -9.429 -2.168 259 HB VAL 29 HB VAL 29 -0.251 -7.476 0.042 260 HG11 VAL 29 1HG1 VAL 29 2.072 -8.298 -0.211 261 HG12 VAL 29 2HG1 VAL 29 1.506 -9.569 -1.296 262 HG13 VAL 29 3HG1 VAL 29 0.999 -9.560 0.396 263 HG21 VAL 29 3HG2 VAL 29 -0.491 -6.430 -2.168 264 HG22 VAL 29 1HG2 VAL 29 0.598 -7.628 -2.874 265 HG23 VAL 29 2HG2 VAL 29 1.207 -6.474 -1.686 266 H THR 30 H THR 30 -1.835 -11.379 -1.574 267 HA THR 30 HA THR 30 -2.102 -12.040 1.304 268 HB THR 30 HB THR 30 -3.256 -14.138 0.469 269 HG1 THR 30 HG1 THR 30 -3.376 -12.804 -2.043 270 HG21 THR 30 3HG2 THR 30 -4.635 -12.216 1.200 271 HG22 THR 30 1HG2 THR 30 -5.397 -13.062 -0.152 272 HG23 THR 30 2HG2 THR 30 -4.558 -11.534 -0.427 273 H THR 31 H THR 31 -0.407 -12.753 -1.684 274 HA THR 31 HA THR 31 1.486 -14.564 -0.273 275 HB THR 31 HB THR 31 2.105 -15.491 -2.489 276 HG1 THR 31 HG1 THR 31 0.007 -13.849 -3.508 277 HG21 THR 31 3HG2 THR 31 -0.895 -15.622 -2.027 278 HG22 THR 31 1HG2 THR 31 0.306 -16.645 -1.240 279 HG23 THR 31 2HG2 THR 31 0.051 -16.765 -2.985 280 H GLU 32 H GLU 32 3.726 -14.435 -1.092 281 HA GLU 32 HA GLU 32 4.781 -11.800 -0.971 282 HB2 GLU 32 2HB GLU 32 5.977 -13.803 -0.119 283 HB3 GLU 32 3HB GLU 32 6.136 -14.417 -1.762 284 HG2 GLU 32 2HG GLU 32 7.542 -12.443 -2.342 285 HG3 GLU 32 3HG GLU 32 7.418 -11.882 -0.673 286 H GLU 33 H GLU 33 4.072 -14.026 -3.642 287 HA GLU 33 HA GLU 33 5.413 -12.766 -5.757 288 HB2 GLU 33 2HB GLU 33 2.854 -14.417 -5.733 289 HB3 GLU 33 3HB GLU 33 3.612 -13.860 -7.222 290 HG2 GLU 33 2HG GLU 33 5.674 -15.116 -6.615 291 HG3 GLU 33 3HG GLU 33 4.853 -15.714 -5.173 292 H ASP 34 H ASP 34 2.225 -12.086 -4.337 293 HA ASP 34 HA ASP 34 1.358 -10.083 -6.134 294 HB2 ASP 34 2HB ASP 34 0.764 -10.355 -3.154 295 HB3 ASP 34 3HB ASP 34 -0.077 -9.252 -4.235 296 H ALA 35 H ALA 35 3.123 -9.883 -3.038 297 HA ALA 35 HA ALA 35 3.466 -7.112 -2.853 298 HB1 ALA 35 3HB ALA 35 3.903 -8.632 -0.963 299 HB2 ALA 35 1HB ALA 35 5.292 -7.590 -1.267 300 HB3 ALA 35 2HB ALA 35 5.321 -9.278 -1.790 301 H LYS 36 H LYS 36 5.426 -9.573 -4.499 302 HA LYS 36 HA LYS 36 7.592 -7.988 -5.301 303 HB2 LYS 36 2HB LYS 36 6.359 -10.450 -6.607 304 HB3 LYS 36 3HB LYS 36 7.877 -9.721 -7.129 305 HG2 LYS 36 2HG LYS 36 8.828 -10.152 -4.857 306 HG3 LYS 36 3HG LYS 36 7.322 -10.962 -4.418 307 HD2 LYS 36 2HD LYS 36 8.990 -12.635 -5.048 308 HD3 LYS 36 3HD LYS 36 7.690 -12.620 -6.239 309 HE2 LYS 36 2HE LYS 36 9.096 -11.297 -7.777 310 HE3 LYS 36 3HE LYS 36 10.388 -11.250 -6.577 311 HZ1 LYS 36 3HZ LYS 36 10.616 -13.633 -6.750 312 HZ2 LYS 36 1HZ LYS 36 10.770 -12.928 -8.276 313 HZ3 LYS 36 2HZ LYS 36 9.337 -13.723 -7.857 314 H GLN 37 H GLN 37 4.551 -8.801 -7.076 315 HA GLN 37 HA GLN 37 5.073 -7.271 -9.392 316 HB2 GLN 37 2HB GLN 37 2.411 -8.127 -8.169 317 HB3 GLN 37 3HB GLN 37 2.525 -7.277 -9.709 318 HG2 GLN 37 2HG GLN 37 3.895 -9.141 -10.607 319 HG3 GLN 37 3HG GLN 37 3.687 -10.002 -9.082 320 HE21 GLN 37 1HE2 GLN 37 2.079 -8.924 -12.012 321 HE22 GLN 37 2HE2 GLN 37 0.672 -9.911 -11.821 322 H VAL 38 H VAL 38 3.568 -6.353 -6.307 323 HA VAL 38 HA VAL 38 2.782 -3.733 -7.000 324 HB VAL 38 HB VAL 38 3.587 -4.817 -4.250 325 HG11 VAL 38 1HG1 VAL 38 2.009 -2.302 -4.934 326 HG12 VAL 38 2HG1 VAL 38 3.642 -2.350 -4.264 327 HG13 VAL 38 3HG1 VAL 38 2.280 -2.935 -3.309 328 HG21 VAL 38 3HG2 VAL 38 1.713 -6.069 -5.251 329 HG22 VAL 38 1HG2 VAL 38 0.835 -4.568 -5.528 330 HG23 VAL 38 2HG2 VAL 38 1.152 -5.114 -3.879 331 H ILE 39 H ILE 39 5.801 -4.983 -5.531 332 HA ILE 39 HA ILE 39 7.198 -2.578 -5.189 333 HB ILE 39 HB ILE 39 8.079 -5.462 -5.536 334 HG12 ILE 39 2HG1 ILE 39 8.276 -3.547 -3.170 335 HG13 ILE 39 3HG1 ILE 39 7.014 -4.750 -3.396 336 HG21 ILE 39 1HG2 ILE 39 10.418 -4.882 -5.000 337 HG22 ILE 39 2HG2 ILE 39 10.021 -3.169 -5.120 338 HG23 ILE 39 3HG2 ILE 39 9.918 -4.196 -6.551 339 HD11 ILE 39 3HD1 ILE 39 8.619 -5.511 -1.790 340 HD12 ILE 39 1HD1 ILE 39 9.942 -5.300 -2.939 341 HD13 ILE 39 2HD1 ILE 39 8.701 -6.523 -3.231 342 H LYS 40 H LYS 40 7.076 -4.761 -8.020 343 HA LYS 40 HA LYS 40 8.911 -3.341 -9.659 344 HB2 LYS 40 2HB LYS 40 6.593 -5.099 -10.579 345 HB3 LYS 40 3HB LYS 40 8.002 -4.657 -11.536 346 HG2 LYS 40 2HG LYS 40 7.947 -6.441 -9.093 347 HG3 LYS 40 3HG LYS 40 8.188 -6.952 -10.759 348 HD2 LYS 40 2HD LYS 40 10.081 -5.178 -9.175 349 HD3 LYS 40 3HD LYS 40 10.283 -6.906 -9.441 350 HE2 LYS 40 2HE LYS 40 10.505 -6.548 -11.851 351 HE3 LYS 40 3HE LYS 40 10.217 -4.818 -11.639 352 HZ1 LYS 40 3HZ LYS 40 12.224 -4.798 -10.183 353 HZ2 LYS 40 1HZ LYS 40 12.542 -5.140 -11.809 354 HZ3 LYS 40 2HZ LYS 40 12.540 -6.384 -10.667 355 H GLU 41 H GLU 41 5.392 -3.209 -9.261 356 HA GLU 41 HA GLU 41 4.723 -1.396 -11.310 357 HB2 GLU 41 2HB GLU 41 3.030 -2.768 -10.213 358 HB3 GLU 41 3HB GLU 41 3.365 -2.030 -8.653 359 HG2 GLU 41 2HG GLU 41 2.488 0.119 -9.475 360 HG3 GLU 41 3HG GLU 41 2.163 -0.605 -11.048 361 H ILE 42 H ILE 42 5.604 -0.911 -7.915 362 HA ILE 42 HA ILE 42 5.166 1.825 -7.626 363 HB ILE 42 HB ILE 42 7.153 -0.029 -6.243 364 HG12 ILE 42 2HG1 ILE 42 4.580 1.154 -5.109 365 HG13 ILE 42 3HG1 ILE 42 4.625 -0.398 -5.929 366 HG21 ILE 42 1HG2 ILE 42 8.010 2.270 -6.033 367 HG22 ILE 42 2HG2 ILE 42 7.432 1.670 -4.478 368 HG23 ILE 42 3HG2 ILE 42 6.450 2.798 -5.408 369 HD11 ILE 42 3HD1 ILE 42 6.177 -1.249 -4.229 370 HD12 ILE 42 1HD1 ILE 42 4.653 -0.698 -3.536 371 HD13 ILE 42 2HD1 ILE 42 6.098 0.303 -3.389 372 H GLN 43 H GLN 43 8.011 0.048 -8.778 373 HA GLN 43 HA GLN 43 9.743 2.301 -9.113 374 HB2 GLN 43 2HB GLN 43 9.867 -0.494 -10.323 375 HB3 GLN 43 3HB GLN 43 11.182 0.681 -10.360 376 HG2 GLN 43 2HG GLN 43 11.329 0.636 -7.905 377 HG3 GLN 43 3HG GLN 43 9.967 -0.481 -7.830 378 HE21 GLN 43 1HE2 GLN 43 11.121 -2.092 -6.791 379 HE22 GLN 43 2HE2 GLN 43 12.364 -3.007 -7.563 380 H LYS 44 H LYS 44 7.687 0.446 -11.332 381 HA LYS 44 HA LYS 44 8.430 1.735 -13.751 382 HB2 LYS 44 2HB LYS 44 6.008 0.068 -12.970 383 HB3 LYS 44 3HB LYS 44 6.276 0.635 -14.615 384 HG2 LYS 44 2HG LYS 44 8.231 -1.124 -13.099 385 HG3 LYS 44 3HG LYS 44 6.971 -1.744 -14.164 386 HD2 LYS 44 2HD LYS 44 9.207 0.128 -15.040 387 HD3 LYS 44 3HD LYS 44 9.207 -1.622 -15.256 388 HE2 LYS 44 2HE LYS 44 7.244 0.336 -16.492 389 HE3 LYS 44 3HE LYS 44 8.526 -0.533 -17.330 390 HZ1 LYS 44 3HZ LYS 44 6.168 -1.781 -16.022 391 HZ2 LYS 44 1HZ LYS 44 7.399 -2.610 -16.828 392 HZ3 LYS 44 2HZ LYS 44 6.382 -1.566 -17.683 393 H LYS 45 H LYS 45 5.856 2.341 -11.436 394 HA LYS 45 HA LYS 45 4.464 4.299 -13.071 395 HB2 LYS 45 2HB LYS 45 3.269 2.625 -11.693 396 HB3 LYS 45 3HB LYS 45 4.009 3.271 -10.237 397 HG2 LYS 45 2HG LYS 45 2.777 5.384 -10.554 398 HG3 LYS 45 3HG LYS 45 2.035 4.738 -12.022 399 HD2 LYS 45 2HD LYS 45 1.710 3.611 -9.211 400 HD3 LYS 45 3HD LYS 45 0.507 4.556 -10.081 401 HE2 LYS 45 2HE LYS 45 0.205 2.785 -11.705 402 HE3 LYS 45 3HE LYS 45 1.566 1.880 -11.043 403 HZ1 LYS 45 3HZ LYS 45 -0.673 1.074 -10.373 404 HZ2 LYS 45 1HZ LYS 45 -0.885 2.506 -9.499 405 HZ3 LYS 45 2HZ LYS 45 0.350 1.432 -9.072 406 H GLY 46 H GLY 46 6.847 4.199 -10.536 407 HA2 GLY 46 2HA GLY 46 8.235 5.891 -9.751 408 HA3 GLY 46 3HA GLY 46 7.302 7.068 -10.665 409 H VAL 47 H VAL 47 6.097 4.756 -8.305 410 HA VAL 47 HA VAL 47 4.475 6.647 -6.912 411 HB VAL 47 HB VAL 47 5.300 3.828 -6.093 412 HG11 VAL 47 1HG1 VAL 47 2.930 5.448 -5.124 413 HG12 VAL 47 2HG1 VAL 47 4.378 5.072 -4.189 414 HG13 VAL 47 3HG1 VAL 47 3.291 3.776 -4.689 415 HG21 VAL 47 3HG2 VAL 47 4.242 3.824 -8.298 416 HG22 VAL 47 1HG2 VAL 47 2.843 4.681 -7.640 417 HG23 VAL 47 2HG2 VAL 47 3.218 3.043 -7.093 418 H GLN 48 H GLN 48 4.922 7.758 -5.060 419 HA GLN 48 HA GLN 48 7.706 7.771 -4.085 420 HB2 GLN 48 2HB GLN 48 5.452 9.804 -3.768 421 HB3 GLN 48 3HB GLN 48 7.097 10.012 -3.166 422 HG2 GLN 48 2HG GLN 48 7.974 9.943 -5.465 423 HG3 GLN 48 3HG GLN 48 6.345 9.689 -6.093 424 HE21 GLN 48 1HE2 GLN 48 8.210 11.826 -6.716 425 HE22 GLN 48 2HE2 GLN 48 7.408 13.301 -6.300 426 H LYS 49 H LYS 49 4.369 7.726 -2.874 427 HA LYS 49 HA LYS 49 5.290 6.648 -0.270 428 HB2 LYS 49 2HB LYS 49 2.896 8.421 -0.924 429 HB3 LYS 49 3HB LYS 49 3.170 7.680 0.653 430 HG2 LYS 49 2HG LYS 49 5.235 8.954 0.936 431 HG3 LYS 49 3HG LYS 49 5.065 9.644 -0.682 432 HD2 LYS 49 2HD LYS 49 3.168 10.941 -0.052 433 HD3 LYS 49 3HD LYS 49 2.933 10.034 1.448 434 HE2 LYS 49 2HE LYS 49 3.893 12.267 1.861 435 HE3 LYS 49 3HE LYS 49 4.979 10.982 2.371 436 HZ1 LYS 49 3HZ LYS 49 5.203 12.513 -0.163 437 HZ2 LYS 49 1HZ LYS 49 6.276 11.323 0.367 438 HZ3 LYS 49 2HZ LYS 49 6.139 12.776 1.216 439 H VAL 50 H VAL 50 4.430 4.758 0.394 440 HA VAL 50 HA VAL 50 2.093 3.583 -1.006 441 HB VAL 50 HB VAL 50 4.572 2.075 -0.008 442 HG11 VAL 50 1HG1 VAL 50 2.549 0.703 0.261 443 HG12 VAL 50 2HG1 VAL 50 3.554 0.064 -1.041 444 HG13 VAL 50 3HG1 VAL 50 2.104 0.996 -1.424 445 HG21 VAL 50 3HG2 VAL 50 3.647 2.564 -2.862 446 HG22 VAL 50 1HG2 VAL 50 5.042 1.600 -2.376 447 HG23 VAL 50 2HG2 VAL 50 5.027 3.339 -2.081 448 H VAL 51 H VAL 51 0.443 3.303 0.385 449 HA VAL 51 HA VAL 51 0.848 3.386 3.286 450 HB VAL 51 HB VAL 51 -1.785 3.150 1.748 451 HG11 VAL 51 1HG1 VAL 51 -2.824 3.919 3.849 452 HG12 VAL 51 2HG1 VAL 51 -1.247 3.935 4.633 453 HG13 VAL 51 3HG1 VAL 51 -1.942 2.408 4.088 454 HG21 VAL 51 3HG2 VAL 51 -2.089 5.559 2.123 455 HG22 VAL 51 1HG2 VAL 51 -0.662 5.240 1.132 456 HG23 VAL 51 2HG2 VAL 51 -0.477 5.660 2.836 457 H LEU 52 H LEU 52 1.380 1.469 4.180 458 HA LEU 52 HA LEU 52 0.393 -1.076 3.085 459 HB2 LEU 52 2HB LEU 52 2.491 -0.416 5.185 460 HB3 LEU 52 3HB LEU 52 2.102 -2.042 4.644 461 HG LEU 52 HG LEU 52 3.193 0.128 2.802 462 HD11 LEU 52 1HD1 LEU 52 5.346 -1.014 2.927 463 HD12 LEU 52 2HD1 LEU 52 4.704 -2.127 4.140 464 HD13 LEU 52 3HD1 LEU 52 4.850 -0.406 4.506 465 HD21 LEU 52 3HD2 LEU 52 3.673 -1.721 1.262 466 HD22 LEU 52 1HD2 LEU 52 1.951 -1.584 1.610 467 HD23 LEU 52 2HD2 LEU 52 2.901 -2.859 2.375 468 H VAL 53 H VAL 53 -1.723 -1.114 3.785 469 HA VAL 53 HA VAL 53 -2.453 -0.762 6.577 470 HB VAL 53 HB VAL 53 -4.250 -1.577 4.246 471 HG11 VAL 53 1HG1 VAL 53 -6.117 -0.803 5.675 472 HG12 VAL 53 2HG1 VAL 53 -4.980 -0.450 6.977 473 HG13 VAL 53 3HG1 VAL 53 -5.224 -2.116 6.450 474 HG21 VAL 53 3HG2 VAL 53 -3.217 0.606 3.771 475 HG22 VAL 53 1HG2 VAL 53 -3.751 1.214 5.340 476 HG23 VAL 53 2HG2 VAL 53 -4.941 0.791 4.107 477 H GLY 54 H GLY 54 -1.832 -2.383 7.820 478 HA2 GLY 54 2HA GLY 54 -1.922 -4.364 8.928 479 HA3 GLY 54 3HA GLY 54 -3.271 -4.797 7.891 480 H VAL 55 H VAL 55 0.213 -4.253 7.238 481 HA VAL 55 HA VAL 55 0.360 -6.901 5.896 482 HB VAL 55 HB VAL 55 2.324 -6.107 4.704 483 HG11 VAL 55 1HG1 VAL 55 1.374 -4.269 3.346 484 HG12 VAL 55 2HG1 VAL 55 0.147 -3.980 4.584 485 HG13 VAL 55 3HG1 VAL 55 0.166 -5.508 3.702 486 HG21 VAL 55 3HG2 VAL 55 3.242 -3.803 4.973 487 HG22 VAL 55 1HG2 VAL 55 3.408 -4.770 6.442 488 HG23 VAL 55 2HG2 VAL 55 2.148 -3.539 6.336 489 H SER 56 H SER 56 2.531 -8.051 6.184 490 HA SER 56 HA SER 56 3.393 -8.076 8.955 491 HB2 SER 56 2HB SER 56 4.928 -9.890 8.220 492 HB3 SER 56 3HB SER 56 3.281 -10.207 7.679 493 HG SER 56 HG SER 56 4.278 -10.475 5.835 494 H GLU 57 H GLU 57 5.545 -7.542 9.634 495 HA GLU 57 HA GLU 57 6.641 -5.161 8.567 496 HB2 GLU 57 2HB GLU 57 7.864 -7.117 10.552 497 HB3 GLU 57 3HB GLU 57 8.468 -5.492 10.224 498 HG2 GLU 57 2HG GLU 57 6.275 -4.562 11.006 499 HG3 GLU 57 3HG GLU 57 5.781 -6.202 11.439 500 H LYS 58 H LYS 58 7.328 -8.508 7.934 501 HA LYS 58 HA LYS 58 9.833 -8.249 6.629 502 HB2 LYS 58 2HB LYS 58 7.615 -10.315 6.277 503 HB3 LYS 58 3HB LYS 58 9.200 -10.438 5.517 504 HG2 LYS 58 2HG LYS 58 10.276 -10.546 7.730 505 HG3 LYS 58 3HG LYS 58 8.705 -10.401 8.520 506 HD2 LYS 58 2HD LYS 58 9.474 -12.677 6.643 507 HD3 LYS 58 3HD LYS 58 9.603 -12.762 8.400 508 HE2 LYS 58 2HE LYS 58 7.002 -12.272 6.901 509 HE3 LYS 58 3HE LYS 58 7.539 -13.845 7.490 510 HZ1 LYS 58 3HZ LYS 58 7.559 -12.918 9.746 511 HZ2 LYS 58 1HZ LYS 58 6.022 -12.871 9.049 512 HZ3 LYS 58 2HZ LYS 58 6.944 -11.463 9.155 513 H LEU 59 H LEU 59 6.448 -8.149 5.419 514 HA LEU 59 HA LEU 59 7.116 -7.606 2.694 515 HB2 LEU 59 2HB LEU 59 4.541 -7.051 4.231 516 HB3 LEU 59 3HB LEU 59 4.713 -6.841 2.494 517 HG LEU 59 HG LEU 59 4.939 -9.481 3.978 518 HD11 LEU 59 1HD1 LEU 59 2.719 -8.472 2.175 519 HD12 LEU 59 2HD1 LEU 59 2.637 -8.642 3.930 520 HD13 LEU 59 3HD1 LEU 59 2.812 -10.074 2.918 521 HD21 LEU 59 3HD2 LEU 59 6.398 -9.499 2.030 522 HD22 LEU 59 1HD2 LEU 59 5.076 -8.943 0.995 523 HD23 LEU 59 2HD2 LEU 59 5.004 -10.536 1.751 524 H LEU 60 H LEU 60 6.497 -5.567 5.529 525 HA LEU 60 HA LEU 60 6.277 -3.080 4.248 526 HB2 LEU 60 2HB LEU 60 5.598 -3.395 6.558 527 HB3 LEU 60 3HB LEU 60 7.242 -3.766 7.042 528 HG LEU 60 HG LEU 60 6.921 -1.059 5.793 529 HD11 LEU 60 1HD1 LEU 60 5.939 0.010 7.738 530 HD12 LEU 60 2HD1 LEU 60 5.674 -1.562 8.500 531 HD13 LEU 60 3HD1 LEU 60 4.818 -1.140 7.012 532 HD21 LEU 60 3HD2 LEU 60 8.279 -1.946 8.365 533 HD22 LEU 60 1HD2 LEU 60 8.408 -0.348 7.620 534 HD23 LEU 60 2HD2 LEU 60 9.062 -1.760 6.796 535 H GLN 61 H GLN 61 9.077 -4.663 5.732 536 HA GLN 61 HA GLN 61 10.991 -2.717 4.970 537 HB2 GLN 61 2HB GLN 61 11.317 -5.609 5.870 538 HB3 GLN 61 3HB GLN 61 12.676 -4.519 5.589 539 HG2 GLN 61 2HG GLN 61 11.835 -2.991 7.339 540 HG3 GLN 61 3HG GLN 61 10.449 -4.050 7.601 541 HE21 GLN 61 1HE2 GLN 61 10.975 -4.348 9.782 542 HE22 GLN 61 2HE2 GLN 61 12.326 -5.305 10.293 543 H LYS 62 H LYS 62 9.696 -5.567 3.379 544 HA LYS 62 HA LYS 62 11.642 -5.928 1.374 545 HB2 LYS 62 2HB LYS 62 9.698 -7.501 2.055 546 HB3 LYS 62 3HB LYS 62 8.675 -6.521 1.010 547 HG2 LYS 62 2HG LYS 62 10.140 -7.085 -0.917 548 HG3 LYS 62 3HG LYS 62 11.136 -8.077 0.154 549 HD2 LYS 62 2HD LYS 62 9.010 -9.424 0.659 550 HD3 LYS 62 3HD LYS 62 8.255 -8.555 -0.683 551 HE2 LYS 62 2HE LYS 62 10.768 -10.237 -0.894 552 HE3 LYS 62 3HE LYS 62 9.158 -10.775 -1.347 553 HZ1 LYS 62 3HZ LYS 62 10.601 -8.494 -2.575 554 HZ2 LYS 62 1HZ LYS 62 9.098 -9.096 -3.055 555 HZ3 LYS 62 2HZ LYS 62 10.486 -10.047 -3.237 556 H ILE 63 H ILE 63 8.643 -3.988 1.431 557 HA ILE 63 HA ILE 63 8.830 -2.960 -1.213 558 HB ILE 63 HB ILE 63 7.150 -2.233 1.203 559 HG12 ILE 63 2HG1 ILE 63 5.237 -2.591 -0.411 560 HG13 ILE 63 3HG1 ILE 63 6.400 -2.939 -1.680 561 HG21 ILE 63 1HG2 ILE 63 6.058 -0.349 0.003 562 HG22 ILE 63 2HG2 ILE 63 7.274 -0.470 -1.269 563 HG23 ILE 63 3HG2 ILE 63 7.756 -0.010 0.363 564 HD11 ILE 63 3HD1 ILE 63 5.401 -4.966 -0.852 565 HD12 ILE 63 1HD1 ILE 63 5.896 -4.583 0.797 566 HD13 ILE 63 2HD1 ILE 63 7.113 -4.940 -0.429 567 H LYS 64 H LYS 64 9.775 -1.488 1.986 568 HA LYS 64 HA LYS 64 10.707 0.930 0.794 569 HB2 LYS 64 2HB LYS 64 11.594 1.569 2.984 570 HB3 LYS 64 3HB LYS 64 9.975 0.926 3.115 571 HG2 LYS 64 2HG LYS 64 11.004 0.035 4.982 572 HG3 LYS 64 3HG LYS 64 11.134 -1.289 3.826 573 HD2 LYS 64 2HD LYS 64 13.488 -0.681 3.375 574 HD3 LYS 64 3HD LYS 64 13.357 0.702 4.463 575 HE2 LYS 64 2HE LYS 64 12.986 -0.818 6.358 576 HE3 LYS 64 3HE LYS 64 13.073 -2.209 5.278 577 HZ1 LYS 64 3HZ LYS 64 15.156 -1.909 6.392 578 HZ2 LYS 64 1HZ LYS 64 15.266 -0.300 5.879 579 HZ3 LYS 64 2HZ LYS 64 15.368 -1.554 4.755 580 H GLN 65 H GLN 65 12.260 -2.163 1.094 581 HA GLN 65 HA GLN 65 14.964 -1.142 0.665 582 HB2 GLN 65 2HB GLN 65 13.775 -3.940 0.750 583 HB3 GLN 65 3HB GLN 65 15.454 -3.664 0.304 584 HG2 GLN 65 2HG GLN 65 15.996 -2.822 2.469 585 HG3 GLN 65 3HG GLN 65 14.301 -2.711 2.932 586 HE21 GLN 65 1HE2 GLN 65 13.539 -5.344 1.925 587 HE22 GLN 65 2HE2 GLN 65 14.263 -6.508 2.978 588 H GLU 66 H GLU 66 12.757 -3.251 -1.270 589 HA GLU 66 HA GLU 66 14.481 -3.080 -3.588 590 HB2 GLU 66 2HB GLU 66 11.873 -4.541 -3.051 591 HB3 GLU 66 3HB GLU 66 12.629 -4.539 -4.647 592 HG2 GLU 66 2HG GLU 66 14.645 -5.576 -3.713 593 HG3 GLU 66 3HG GLU 66 13.930 -5.547 -2.099 594 H ALA 67 H ALA 67 11.104 -2.031 -2.904 595 HA ALA 67 HA ALA 67 10.851 -0.573 -5.381 596 HB1 ALA 67 3HB ALA 67 8.875 -1.472 -4.238 597 HB2 ALA 67 1HB ALA 67 8.760 0.279 -4.409 598 HB3 ALA 67 2HB ALA 67 9.180 -0.430 -2.847 599 H ASN 68 H ASN 68 11.957 0.065 -2.143 600 HA ASN 68 HA ASN 68 13.129 1.683 -1.144 601 HB2 ASN 68 2HB ASN 68 14.685 1.168 -3.045 602 HB3 ASN 68 3HB ASN 68 13.974 2.494 -3.953 603 HD21 ASN 68 1HD2 ASN 68 15.929 1.668 -1.147 604 HD22 ASN 68 2HD2 ASN 68 16.637 3.231 -0.935 605 H VAL 69 H VAL 69 10.924 2.461 -0.618 606 HA VAL 69 HA VAL 69 10.506 5.269 -1.382 607 HB VAL 69 HB VAL 69 8.009 4.844 -1.681 608 HG11 VAL 69 1HG1 VAL 69 9.809 3.546 -3.752 609 HG12 VAL 69 2HG1 VAL 69 9.462 5.271 -3.612 610 HG13 VAL 69 3HG1 VAL 69 8.169 4.145 -4.023 611 HG21 VAL 69 3HG2 VAL 69 7.264 2.553 -2.296 612 HG22 VAL 69 1HG2 VAL 69 7.851 2.626 -0.631 613 HG23 VAL 69 2HG2 VAL 69 8.867 1.927 -1.893 614 H GLN 70 H GLN 70 8.620 6.204 -0.113 615 HA GLN 70 HA GLN 70 9.099 5.792 2.696 616 HB2 GLN 70 2HB GLN 70 7.284 7.681 1.144 617 HB3 GLN 70 3HB GLN 70 7.344 7.659 2.907 618 HG2 GLN 70 2HG GLN 70 9.721 8.248 2.871 619 HG3 GLN 70 3HG GLN 70 9.738 8.179 1.110 620 HE21 GLN 70 1HE2 GLN 70 10.484 10.322 0.990 621 HE22 GLN 70 2HE2 GLN 70 9.442 11.667 1.291 622 H VAL 71 H VAL 71 8.130 4.271 3.819 623 HA VAL 71 HA VAL 71 5.570 3.082 2.977 624 HB VAL 71 HB VAL 71 6.091 1.355 4.814 625 HG11 VAL 71 1HG1 VAL 71 8.099 1.588 2.550 626 HG12 VAL 71 2HG1 VAL 71 6.478 0.892 2.442 627 HG13 VAL 71 3HG1 VAL 71 7.700 0.120 3.453 628 HG21 VAL 71 3HG2 VAL 71 8.855 2.645 4.770 629 HG22 VAL 71 1HG2 VAL 71 8.415 1.155 5.612 630 HG23 VAL 71 2HG2 VAL 71 7.723 2.696 6.128 631 H TYR 72 H TYR 72 3.740 3.441 4.038 632 HA TYR 72 HA TYR 72 3.805 4.709 6.721 633 HB2 TYR 72 2HB TYR 72 1.863 5.136 4.394 634 HB3 TYR 72 3HB TYR 72 1.523 5.671 6.040 635 HD1 TYR 72 HD2 TYR 72 3.841 6.164 3.149 636 HD2 TYR 72 HD1 TYR 72 2.557 7.662 6.942 637 HE1 TYR 72 HE2 TYR 72 5.150 8.206 2.788 638 HE2 TYR 72 HE1 TYR 72 3.871 9.709 6.574 639 HH TYR 72 HH TYR 72 5.947 10.338 5.192 640 H ARG 73 H ARG 73 3.730 2.903 7.871 641 HA ARG 73 HA ARG 73 2.014 0.675 7.503 642 HB2 ARG 73 2HB ARG 73 4.134 0.655 8.862 643 HB3 ARG 73 3HB ARG 73 3.342 1.649 10.079 644 HG2 ARG 73 2HG ARG 73 1.713 -0.179 10.503 645 HG3 ARG 73 3HG ARG 73 2.514 -1.166 9.278 646 HD2 ARG 73 2HD ARG 73 4.605 -1.103 10.640 647 HD3 ARG 73 3HD ARG 73 3.742 -0.181 11.876 648 HE ARG 73 HE ARG 73 2.431 -2.648 11.245 649 HH11 ARG 73 1HH1 ARG 73 5.054 -1.326 13.194 650 HH12 ARG 73 2HH1 ARG 73 5.009 -2.623 14.342 651 HH21 ARG 73 1HH2 ARG 73 2.409 -4.348 12.745 652 HH22 ARG 73 2HH2 ARG 73 3.509 -4.334 14.086 653 H VAL 74 H VAL 74 -0.068 0.488 7.946 654 HA VAL 74 HA VAL 74 -1.489 2.366 9.730 655 HB VAL 74 HB VAL 74 -2.184 1.648 6.837 656 HG11 VAL 74 1HG1 VAL 74 -4.337 2.812 7.116 657 HG12 VAL 74 2HG1 VAL 74 -4.031 2.987 8.842 658 HG13 VAL 74 3HG1 VAL 74 -4.247 1.380 8.144 659 HG21 VAL 74 3HG2 VAL 74 -2.293 4.109 6.529 660 HG22 VAL 74 1HG2 VAL 74 -0.699 3.589 7.086 661 HG23 VAL 74 2HG2 VAL 74 -1.831 4.339 8.214 662 H THR 75 H THR 75 -2.815 1.310 11.097 663 HA THR 75 HA THR 75 -3.698 -1.469 10.510 664 HB THR 75 HB THR 75 -3.559 -1.893 12.983 665 HG1 THR 75 HG1 THR 75 -3.683 0.183 13.822 666 HG21 THR 75 3HG2 THR 75 -0.899 -0.951 11.818 667 HG22 THR 75 1HG2 THR 75 -1.610 -2.550 11.571 668 HG23 THR 75 2HG2 THR 75 -1.097 -2.051 13.183 669 H SER 76 H SER 76 -4.842 1.520 10.501 670 HA SER 76 HA SER 76 -7.560 0.783 11.152 671 HB2 SER 76 2HB SER 76 -6.683 1.467 13.393 672 HB3 SER 76 3HB SER 76 -6.231 3.039 12.731 673 HG SER 76 HG SER 76 -8.185 3.582 13.279 674 H ASN 77 H ASN 77 -9.095 2.224 10.263 675 HA ASN 77 HA ASN 77 -8.546 3.278 7.769 676 HB2 ASN 77 2HB ASN 77 -10.868 3.865 9.652 677 HB3 ASN 77 3HB ASN 77 -10.818 4.468 7.997 678 HD21 ASN 77 1HD2 ASN 77 -12.814 3.279 7.812 679 HD22 ASN 77 2HD2 ASN 77 -12.766 1.596 7.447 680 H ASP 78 H ASP 78 -8.575 4.940 10.870 681 HA ASP 78 HA ASP 78 -8.680 7.616 10.265 682 HB2 ASP 78 2HB ASP 78 -6.892 6.264 12.345 683 HB3 ASP 78 3HB ASP 78 -7.314 7.974 12.344 684 H GLU 79 H GLU 79 -5.750 5.612 10.463 685 HA GLU 79 HA GLU 79 -3.908 7.688 9.856 686 HB2 GLU 79 2HB GLU 79 -3.414 4.684 9.675 687 HB3 GLU 79 3HB GLU 79 -2.208 5.950 9.894 688 HG2 GLU 79 2HG GLU 79 -4.292 5.022 11.877 689 HG3 GLU 79 3HG GLU 79 -2.544 4.857 12.004 690 H LEU 80 H LEU 80 -5.407 5.112 7.994 691 HA LEU 80 HA LEU 80 -4.102 5.240 5.552 692 HB2 LEU 80 2HB LEU 80 -5.698 3.490 6.137 693 HB3 LEU 80 3HB LEU 80 -7.003 4.638 6.280 694 HG LEU 80 HG LEU 80 -6.985 3.051 4.243 695 HD11 LEU 80 1HD1 LEU 80 -8.539 4.889 4.394 696 HD12 LEU 80 2HD1 LEU 80 -8.007 4.617 2.737 697 HD13 LEU 80 3HD1 LEU 80 -7.355 5.974 3.663 698 HD21 LEU 80 3HD2 LEU 80 -5.721 3.694 2.275 699 HD22 LEU 80 1HD2 LEU 80 -4.624 3.336 3.607 700 HD23 LEU 80 2HD2 LEU 80 -4.950 5.012 3.162 701 H GLU 81 H GLU 81 -6.939 7.063 6.677 702 HA GLU 81 HA GLU 81 -7.355 8.567 4.299 703 HB2 GLU 81 2HB GLU 81 -8.348 9.037 7.138 704 HB3 GLU 81 3HB GLU 81 -8.987 9.826 5.696 705 HG2 GLU 81 2HG GLU 81 -9.816 7.714 4.823 706 HG3 GLU 81 3HG GLU 81 -9.015 6.817 6.109 707 H GLN 82 H GLN 82 -5.532 9.178 7.288 708 HA GLN 82 HA GLN 82 -5.023 11.939 6.945 709 HB2 GLN 82 2HB GLN 82 -3.262 9.865 8.333 710 HB3 GLN 82 3HB GLN 82 -3.070 11.607 8.478 711 HG2 GLN 82 2HG GLN 82 -5.423 9.976 9.453 712 HG3 GLN 82 3HG GLN 82 -4.164 10.678 10.452 713 HE21 GLN 82 1HE2 GLN 82 -7.076 11.305 8.640 714 HE22 GLN 82 2HE2 GLN 82 -7.325 12.918 9.208 715 H VAL 83 H VAL 83 -3.186 9.061 5.885 716 HA VAL 83 HA VAL 83 -0.989 10.492 4.750 717 HB VAL 83 HB VAL 83 -1.877 7.641 4.103 718 HG11 VAL 83 1HG1 VAL 83 -0.280 8.500 2.429 719 HG12 VAL 83 2HG1 VAL 83 0.480 7.262 3.428 720 HG13 VAL 83 3HG1 VAL 83 0.843 8.964 3.713 721 HG21 VAL 83 3HG2 VAL 83 -0.269 6.909 5.826 722 HG22 VAL 83 1HG2 VAL 83 -1.504 7.955 6.529 723 HG23 VAL 83 2HG2 VAL 83 0.108 8.590 6.207 724 H VAL 84 H VAL 84 -4.099 9.432 3.440 725 HA VAL 84 HA VAL 84 -3.612 10.043 0.702 726 HB VAL 84 HB VAL 84 -6.288 10.071 2.180 727 HG11 VAL 84 1HG1 VAL 84 -5.703 9.961 -0.806 728 HG12 VAL 84 2HG1 VAL 84 -6.452 11.301 0.065 729 HG13 VAL 84 3HG1 VAL 84 -7.299 9.762 -0.079 730 HG21 VAL 84 3HG2 VAL 84 -4.984 7.833 0.579 731 HG22 VAL 84 1HG2 VAL 84 -6.604 7.784 1.282 732 HG23 VAL 84 2HG2 VAL 84 -5.187 7.870 2.330 733 H LYS 85 H LYS 85 -4.803 11.989 3.435 734 HA LYS 85 HA LYS 85 -5.267 14.411 1.986 735 HB2 LYS 85 2HB LYS 85 -4.710 13.958 4.948 736 HB3 LYS 85 3HB LYS 85 -5.277 15.481 4.257 737 HG2 LYS 85 2HG LYS 85 -7.381 14.498 3.610 738 HG3 LYS 85 3HG LYS 85 -6.809 12.874 4.006 739 HD2 LYS 85 2HD LYS 85 -6.631 13.598 6.417 740 HD3 LYS 85 3HD LYS 85 -7.366 15.141 5.960 741 HE2 LYS 85 2HE LYS 85 -8.644 12.394 5.708 742 HE3 LYS 85 3HE LYS 85 -9.059 13.640 6.887 743 HZ1 LYS 85 3HZ LYS 85 -10.645 13.707 5.133 744 HZ2 LYS 85 1HZ LYS 85 -9.443 13.768 3.949 745 HZ3 LYS 85 2HZ LYS 85 -9.675 15.078 4.986 746 H ASP 86 H ASP 86 -2.454 12.947 3.464 747 HA ASP 86 HA ASP 86 -0.765 15.248 3.535 748 HB2 ASP 86 2HB ASP 86 -0.380 13.254 4.960 749 HB3 ASP 86 3HB ASP 86 -0.059 12.277 3.531 750 H VAL 87 H VAL 87 -1.259 12.611 1.188 751 HA VAL 87 HA VAL 87 0.841 13.496 -0.586 752 HB VAL 87 HB VAL 87 0.199 11.083 -0.357 753 HG11 VAL 87 1HG1 VAL 87 -1.749 10.176 -1.549 754 HG12 VAL 87 2HG1 VAL 87 -2.285 11.814 -1.931 755 HG13 VAL 87 3HG1 VAL 87 -2.233 11.274 -0.253 756 HG21 VAL 87 3HG2 VAL 87 0.028 12.157 -3.189 757 HG22 VAL 87 1HG2 VAL 87 0.410 10.490 -2.744 758 HG23 VAL 87 2HG2 VAL 87 1.505 11.798 -2.293 759 H LYS 88 H LYS 88 -2.671 13.934 -0.388 760 HA LYS 88 HA LYS 88 -2.603 16.089 -2.343 761 HB2 LYS 88 2HB LYS 88 -4.406 15.160 -3.763 762 HB3 LYS 88 3HB LYS 88 -2.950 14.175 -3.834 763 HG2 LYS 88 2HG LYS 88 -3.934 12.461 -2.452 764 HG3 LYS 88 3HG LYS 88 -5.329 13.472 -2.073 765 HD2 LYS 88 2HD LYS 88 -4.643 12.395 -4.842 766 HD3 LYS 88 3HD LYS 88 -5.860 11.717 -3.756 767 HE2 LYS 88 2HE LYS 88 -7.146 13.814 -3.855 768 HE3 LYS 88 3HE LYS 88 -5.918 14.536 -4.898 769 HZ1 LYS 88 3HZ LYS 88 -7.642 12.211 -5.563 770 HZ2 LYS 88 1HZ LYS 88 -6.408 12.808 -6.552 771 HZ3 LYS 88 2HZ LYS 88 -7.760 13.768 -6.206 772 H GLY 89 H GLY 89 -4.287 17.543 -2.136 773 HA2 GLY 89 2HA GLY 89 -6.369 18.359 -1.450 774 HA3 GLY 89 3HA GLY 89 -6.568 16.984 -0.378 775 H SER 90 H SER 90 -3.853 17.361 0.718 776 HA SER 90 HA SER 90 -2.764 18.261 2.430 777 HB2 SER 90 2HB SER 90 -4.261 20.844 1.799 778 HB3 SER 90 3HB SER 90 -2.893 20.702 2.910 779 HG SER 90 HG SER 90 -1.983 19.590 0.799 780 H GLY 91 H GLY 91 -3.088 17.630 4.475 781 HA2 GLY 91 2HA GLY 91 -5.656 17.493 5.735 782 HA3 GLY 91 3HA GLY 91 -4.100 17.181 6.490 783 H LEU 92 H LEU 92 -5.993 19.885 5.206 784 HA LEU 92 HA LEU 92 -4.928 22.020 6.643 785 HB2 LEU 92 2HB LEU 92 -6.948 23.259 6.083 786 HB3 LEU 92 3HB LEU 92 -6.446 22.305 4.706 787 HG LEU 92 HG LEU 92 -8.735 21.476 6.555 788 HD11 LEU 92 1HD1 LEU 92 -9.315 23.609 5.506 789 HD12 LEU 92 2HD1 LEU 92 -10.301 22.298 4.865 790 HD13 LEU 92 3HD1 LEU 92 -8.963 22.944 3.908 791 HD21 LEU 92 3HD2 LEU 92 -7.984 20.485 3.784 792 HD22 LEU 92 1HD2 LEU 92 -9.420 20.005 4.697 793 HD23 LEU 92 2HD2 LEU 92 -7.817 19.598 5.301 794 H GLU 93 H GLU 93 -7.282 19.633 7.581 795 HA GLU 93 HA GLU 93 -8.185 20.576 10.040 796 HB2 GLU 93 2HB GLU 93 -8.478 18.131 10.606 797 HB3 GLU 93 3HB GLU 93 -9.162 18.585 9.046 798 HG2 GLU 93 2HG GLU 93 -7.264 17.606 7.869 799 HG3 GLU 93 3HG GLU 93 -6.454 17.273 9.400 800 H HIS 94 H HIS 94 -7.300 20.694 12.047 801 HA HIS 94 HA HIS 94 -4.444 20.389 12.392 802 HB2 HIS 94 2HB HIS 94 -6.629 21.247 14.339 803 HB3 HIS 94 3HB HIS 94 -4.903 21.272 14.699 804 HD1 HIS 94 HD1 HIS 94 -7.481 23.470 13.581 805 HD2 HIS 94 HD2 HIS 94 -3.473 22.938 12.607 806 HE1 HIS 94 HE1 HIS 94 -6.767 25.587 12.427 807 HE2 HIS 94 HE2 HIS 94 -4.388 25.180 11.734 808 H HIS 95 H HIS 95 -3.432 18.658 13.210 809 HA HIS 95 HA HIS 95 -5.051 16.242 13.657 810 HB2 HIS 95 2HB HIS 95 -2.049 16.489 13.170 811 HB3 HIS 95 3HB HIS 95 -3.000 15.009 13.104 812 HD1 HIS 95 HD1 HIS 95 -4.913 15.045 11.103 813 HD2 HIS 95 HD2 HIS 95 -1.729 17.685 10.751 814 HE1 HIS 95 HE1 HIS 95 -4.851 15.717 8.688 815 HE2 HIS 95 HE2 HIS 95 -2.980 17.384 8.528 816 H HIS 96 H HIS 96 -5.261 17.819 15.796 817 HA HIS 96 HA HIS 96 -5.373 17.732 18.028 818 HB2 HIS 96 2HB HIS 96 -3.868 15.111 17.699 819 HB3 HIS 96 3HB HIS 96 -4.377 15.720 19.270 820 HD1 HIS 96 HD1 HIS 96 -6.468 14.616 20.005 821 HD2 HIS 96 HD2 HIS 96 -6.385 15.107 15.881 822 HE1 HIS 96 HE1 HIS 96 -8.622 13.647 19.168 823 HE2 HIS 96 HE2 HIS 96 -8.417 13.736 16.664 824 H HIS 97 H HIS 97 -4.290 18.369 19.904 825 HA HIS 97 HA HIS 97 -1.457 18.602 20.152 826 HB2 HIS 97 2HB HIS 97 -1.224 21.063 19.986 827 HB3 HIS 97 3HB HIS 97 -1.798 20.415 18.450 828 HD1 HIS 97 HD1 HIS 97 -2.706 22.732 21.197 829 HD2 HIS 97 HD2 HIS 97 -4.561 21.059 17.872 830 HE1 HIS 97 HE1 HIS 97 -4.806 24.054 20.857 831 HE2 HIS 97 HE2 HIS 97 -5.983 22.927 18.947 832 H HIS 98 H HIS 98 -0.870 19.851 22.131 833 HA HIS 98 HA HIS 98 -2.662 19.272 24.313 834 HB2 HIS 98 2HB HIS 98 0.072 20.625 24.213 835 HB3 HIS 98 3HB HIS 98 -0.806 20.371 25.716 836 HD1 HIS 98 HD1 HIS 98 -0.514 18.141 26.839 837 HD2 HIS 98 HD2 HIS 98 0.885 18.147 22.928 838 HE1 HIS 98 HE1 HIS 98 0.672 15.947 26.537 839 HE2 HIS 98 HE2 HIS 98 1.368 15.913 24.122 840 H HIS 99 H HIS 99 -3.368 20.831 25.906 841 HA HIS 99 HA HIS 99 -3.826 23.582 24.892 842 HB2 HIS 99 2HB HIS 99 -5.652 21.874 26.650 843 HB3 HIS 99 3HB HIS 99 -5.920 23.581 26.303 844 HD1 HIS 99 HD1 HIS 99 -6.387 20.194 24.903 845 HD2 HIS 99 HD2 HIS 99 -6.673 24.122 23.570 846 HE1 HIS 99 HE1 HIS 99 -7.600 20.080 22.709 847 HE2 HIS 99 HE2 HIS 99 -7.940 22.479 22.038 Start of MODEL 11 1 H1 MET 1 1H MET 1 4.487 12.623 -11.924 2 H2 MET 1 2H MET 1 4.543 11.042 -11.343 3 H3 MET 1 3H MET 1 5.528 12.228 -10.655 4 HA MET 1 HA MET 1 3.679 13.379 -9.767 5 HB2 MET 1 2HB MET 1 2.100 12.860 -11.644 6 HB3 MET 1 3HB MET 1 1.980 11.202 -11.075 7 HG2 MET 1 2HG MET 1 0.978 12.039 -8.952 8 HG3 MET 1 3HG MET 1 1.031 13.679 -9.606 9 HE1 MET 1 3HE MET 1 -2.808 12.793 -9.736 10 HE2 MET 1 1HE MET 1 -1.603 13.928 -9.133 11 HE3 MET 1 2HE MET 1 -1.664 12.283 -8.495 12 H GLY 2 H GLY 2 3.760 12.937 -7.612 13 HA2 GLY 2 2HA GLY 2 4.521 10.293 -6.652 14 HA3 GLY 2 3HA GLY 2 4.380 11.768 -5.709 15 H ARG 3 H ARG 3 2.443 9.270 -7.331 16 HA ARG 3 HA ARG 3 0.030 9.879 -5.825 17 HB2 ARG 3 2HB ARG 3 0.641 7.635 -7.789 18 HB3 ARG 3 3HB ARG 3 -0.929 7.873 -7.020 19 HG2 ARG 3 2HG ARG 3 -1.028 10.153 -8.061 20 HG3 ARG 3 3HG ARG 3 0.461 9.779 -8.934 21 HD2 ARG 3 2HD ARG 3 -2.121 8.199 -9.146 22 HD3 ARG 3 3HD ARG 3 -1.618 9.445 -10.288 23 HE ARG 3 HE ARG 3 0.449 7.888 -10.537 24 HH11 ARG 3 1HH1 ARG 3 -2.852 6.755 -10.081 25 HH12 ARG 3 2HH1 ARG 3 -2.593 5.281 -10.954 26 HH21 ARG 3 1HH2 ARG 3 0.726 6.005 -11.774 27 HH22 ARG 3 2HH2 ARG 3 -0.574 4.862 -11.910 28 H LEU 4 H LEU 4 -1.141 8.086 -4.699 29 HA LEU 4 HA LEU 4 0.664 6.769 -2.776 30 HB2 LEU 4 2HB LEU 4 -1.009 8.410 -1.926 31 HB3 LEU 4 3HB LEU 4 -2.302 7.426 -2.588 32 HG LEU 4 HG LEU 4 -1.707 5.584 -1.007 33 HD11 LEU 4 1HD1 LEU 4 0.333 7.538 0.098 34 HD12 LEU 4 2HD1 LEU 4 0.675 6.026 -0.747 35 HD13 LEU 4 3HD1 LEU 4 -0.118 5.992 0.822 36 HD21 LEU 4 3HD2 LEU 4 -2.187 8.239 0.383 37 HD22 LEU 4 1HD2 LEU 4 -2.528 6.637 1.045 38 HD23 LEU 4 2HD2 LEU 4 -3.425 7.219 -0.357 39 H VAL 5 H VAL 5 0.783 4.591 -2.692 40 HA VAL 5 HA VAL 5 -1.394 2.910 -3.821 41 HB VAL 5 HB VAL 5 1.548 2.203 -3.379 42 HG11 VAL 5 1HG1 VAL 5 -0.703 0.364 -4.280 43 HG12 VAL 5 2HG1 VAL 5 0.171 0.258 -2.750 44 HG13 VAL 5 3HG1 VAL 5 1.013 -0.057 -4.268 45 HG21 VAL 5 3HG2 VAL 5 -0.094 2.283 -5.934 46 HG22 VAL 5 1HG2 VAL 5 1.607 1.827 -5.813 47 HG23 VAL 5 2HG2 VAL 5 1.105 3.481 -5.447 48 H VAL 6 H VAL 6 -2.461 1.595 -2.421 49 HA VAL 6 HA VAL 6 -1.607 1.495 0.409 50 HB VAL 6 HB VAL 6 -4.426 1.142 -0.721 51 HG11 VAL 6 1HG1 VAL 6 -3.482 1.415 2.156 52 HG12 VAL 6 2HG1 VAL 6 -4.104 -0.053 1.402 53 HG13 VAL 6 3HG1 VAL 6 -5.169 1.336 1.638 54 HG21 VAL 6 3HG2 VAL 6 -4.928 3.391 0.202 55 HG22 VAL 6 1HG2 VAL 6 -3.692 3.465 -1.059 56 HG23 VAL 6 2HG2 VAL 6 -3.229 3.587 0.640 57 H VAL 7 H VAL 7 -0.481 -0.385 0.561 58 HA VAL 7 HA VAL 7 -1.264 -2.819 -0.808 59 HB VAL 7 HB VAL 7 0.925 -2.310 1.260 60 HG11 VAL 7 1HG1 VAL 7 1.847 -4.521 0.617 61 HG12 VAL 7 2HG1 VAL 7 0.442 -4.807 -0.412 62 HG13 VAL 7 3HG1 VAL 7 0.242 -4.678 1.336 63 HG21 VAL 7 3HG2 VAL 7 1.116 -2.655 -1.754 64 HG22 VAL 7 1HG2 VAL 7 2.480 -2.448 -0.650 65 HG23 VAL 7 2HG2 VAL 7 1.318 -1.138 -0.871 66 H VAL 8 H VAL 8 -2.853 -3.988 -0.067 67 HA VAL 8 HA VAL 8 -3.466 -4.191 2.826 68 HB VAL 8 HB VAL 8 -5.826 -4.633 2.192 69 HG11 VAL 8 1HG1 VAL 8 -6.468 -2.354 1.468 70 HG12 VAL 8 2HG1 VAL 8 -4.796 -2.027 1.000 71 HG13 VAL 8 3HG1 VAL 8 -5.200 -2.308 2.697 72 HG21 VAL 8 3HG2 VAL 8 -4.964 -4.063 -0.674 73 HG22 VAL 8 1HG2 VAL 8 -6.628 -4.287 -0.129 74 HG23 VAL 8 2HG2 VAL 8 -5.486 -5.625 -0.039 75 H THR 9 H THR 9 -3.937 -6.289 3.567 76 HA THR 9 HA THR 9 -3.107 -8.517 1.815 77 HB THR 9 HB THR 9 -2.928 -9.795 3.988 78 HG1 THR 9 HG1 THR 9 -2.825 -8.147 5.844 79 HG21 THR 9 3HG2 THR 9 -1.311 -7.214 3.877 80 HG22 THR 9 1HG2 THR 9 -0.923 -8.708 3.015 81 HG23 THR 9 2HG2 THR 9 -0.877 -8.667 4.778 82 H SER 10 H SER 10 -5.929 -7.033 2.697 83 HA SER 10 HA SER 10 -7.532 -9.522 2.572 84 HB2 SER 10 2HB SER 10 -7.647 -8.702 4.870 85 HB3 SER 10 3HB SER 10 -8.009 -7.064 4.322 86 HG SER 10 HG SER 10 -9.719 -8.965 4.886 87 H GLU 11 H GLU 11 -9.145 -9.506 1.134 88 HA GLU 11 HA GLU 11 -9.550 -7.551 -0.849 89 HB2 GLU 11 2HB GLU 11 -11.417 -9.795 0.042 90 HB3 GLU 11 3HB GLU 11 -11.588 -8.871 -1.451 91 HG2 GLU 11 2HG GLU 11 -9.329 -9.726 -2.159 92 HG3 GLU 11 3HG GLU 11 -9.323 -10.757 -0.728 93 H GLN 12 H GLN 12 -10.937 -7.953 2.324 94 HA GLN 12 HA GLN 12 -13.224 -6.271 2.028 95 HB2 GLN 12 2HB GLN 12 -11.693 -7.126 4.524 96 HB3 GLN 12 3HB GLN 12 -13.199 -6.216 4.557 97 HG2 GLN 12 2HG GLN 12 -13.791 -8.472 4.987 98 HG3 GLN 12 3HG GLN 12 -14.296 -8.144 3.336 99 HE21 GLN 12 1HE2 GLN 12 -12.007 -9.828 5.354 100 HE22 GLN 12 2HE2 GLN 12 -11.450 -10.942 4.159 101 H LEU 13 H LEU 13 -9.888 -5.735 3.111 102 HA LEU 13 HA LEU 13 -10.199 -2.949 3.722 103 HB2 LEU 13 2HB LEU 13 -7.699 -4.583 3.145 104 HB3 LEU 13 3HB LEU 13 -7.693 -2.937 3.762 105 HG LEU 13 HG LEU 13 -8.866 -5.330 5.240 106 HD11 LEU 13 1HD1 LEU 13 -6.435 -5.532 5.059 107 HD12 LEU 13 2HD1 LEU 13 -6.917 -5.187 6.718 108 HD13 LEU 13 3HD1 LEU 13 -6.233 -3.906 5.714 109 HD21 LEU 13 3HD2 LEU 13 -8.990 -3.819 7.179 110 HD22 LEU 13 1HD2 LEU 13 -9.978 -3.229 5.845 111 HD23 LEU 13 2HD2 LEU 13 -8.418 -2.476 6.185 112 H LYS 14 H LYS 14 -9.213 -4.803 0.889 113 HA LYS 14 HA LYS 14 -8.330 -2.788 -0.834 114 HB2 LYS 14 2HB LYS 14 -7.918 -5.014 -1.517 115 HB3 LYS 14 3HB LYS 14 -9.579 -5.513 -1.245 116 HG2 LYS 14 2HG LYS 14 -10.318 -4.399 -3.264 117 HG3 LYS 14 3HG LYS 14 -8.723 -3.684 -3.514 118 HD2 LYS 14 2HD LYS 14 -7.753 -5.761 -4.125 119 HD3 LYS 14 3HD LYS 14 -9.062 -6.699 -3.403 120 HE2 LYS 14 2HE LYS 14 -9.103 -6.701 -5.908 121 HE3 LYS 14 3HE LYS 14 -10.579 -6.065 -5.186 122 HZ1 LYS 14 3HZ LYS 14 -9.863 -4.742 -7.064 123 HZ2 LYS 14 1HZ LYS 14 -8.375 -4.437 -6.325 124 HZ3 LYS 14 2HZ LYS 14 -9.796 -3.827 -5.645 125 H GLU 15 H GLU 15 -11.611 -4.218 -0.658 126 HA GLU 15 HA GLU 15 -12.811 -2.467 -2.518 127 HB2 GLU 15 2HB GLU 15 -14.946 -3.413 -1.807 128 HB3 GLU 15 3HB GLU 15 -13.743 -4.696 -1.910 129 HG2 GLU 15 2HG GLU 15 -13.443 -4.516 0.585 130 HG3 GLU 15 3HG GLU 15 -14.791 -3.384 0.618 131 H GLU 16 H GLU 16 -12.264 -2.182 0.952 132 HA GLU 16 HA GLU 16 -14.197 -0.155 1.501 133 HB2 GLU 16 2HB GLU 16 -13.184 -1.642 3.249 134 HB3 GLU 16 3HB GLU 16 -11.654 -0.792 3.049 135 HG2 GLU 16 2HG GLU 16 -13.046 1.358 3.606 136 HG3 GLU 16 3HG GLU 16 -14.247 0.228 4.225 137 H VAL 17 H VAL 17 -10.623 -0.006 1.186 138 HA VAL 17 HA VAL 17 -10.368 2.788 1.337 139 HB VAL 17 HB VAL 17 -8.495 0.800 -0.036 140 HG11 VAL 17 1HG1 VAL 17 -8.003 3.102 -0.773 141 HG12 VAL 17 2HG1 VAL 17 -6.718 2.502 0.277 142 HG13 VAL 17 3HG1 VAL 17 -7.915 3.635 0.908 143 HG21 VAL 17 3HG2 VAL 17 -8.864 0.275 2.363 144 HG22 VAL 17 1HG2 VAL 17 -8.376 1.916 2.795 145 HG23 VAL 17 2HG2 VAL 17 -7.207 0.809 2.066 146 H ARG 18 H ARG 18 -10.985 0.655 -1.448 147 HA ARG 18 HA ARG 18 -10.844 2.812 -3.378 148 HB2 ARG 18 2HB ARG 18 -11.839 -0.038 -3.712 149 HB3 ARG 18 3HB ARG 18 -11.564 1.114 -5.021 150 HG2 ARG 18 2HG ARG 18 -9.136 1.234 -4.215 151 HG3 ARG 18 3HG ARG 18 -9.503 -0.168 -3.208 152 HD2 ARG 18 2HD ARG 18 -8.449 -0.868 -5.300 153 HD3 ARG 18 3HD ARG 18 -10.118 -1.439 -5.246 154 HE ARG 18 HE ARG 18 -10.635 -0.094 -7.021 155 HH11 ARG 18 1HH1 ARG 18 -7.488 0.951 -5.804 156 HH12 ARG 18 2HH1 ARG 18 -7.202 2.022 -7.137 157 HH21 ARG 18 1HH2 ARG 18 -10.240 1.328 -8.732 158 HH22 ARG 18 2HH2 ARG 18 -8.760 2.231 -8.793 159 H LYS 19 H LYS 19 -13.318 1.646 -1.284 160 HA LYS 19 HA LYS 19 -15.572 2.627 -2.818 161 HB2 LYS 19 2HB LYS 19 -15.813 0.800 -1.125 162 HB3 LYS 19 3HB LYS 19 -15.355 1.921 0.142 163 HG2 LYS 19 2HG LYS 19 -17.651 1.906 0.408 164 HG3 LYS 19 3HG LYS 19 -17.474 3.282 -0.673 165 HD2 LYS 19 2HD LYS 19 -18.178 0.465 -1.596 166 HD3 LYS 19 3HD LYS 19 -19.370 1.710 -1.242 167 HE2 LYS 19 2HE LYS 19 -18.446 3.108 -3.063 168 HE3 LYS 19 3HE LYS 19 -17.252 1.858 -3.416 169 HZ1 LYS 19 3HZ LYS 19 -20.198 1.528 -3.614 170 HZ2 LYS 19 1HZ LYS 19 -19.044 0.343 -3.967 171 HZ3 LYS 19 2HZ LYS 19 -19.140 1.740 -4.914 172 H LYS 20 H LYS 20 -13.651 3.696 -0.061 173 HA LYS 20 HA LYS 20 -15.019 6.194 0.355 174 HB2 LYS 20 2HB LYS 20 -12.357 5.156 1.424 175 HB3 LYS 20 3HB LYS 20 -13.220 6.563 2.042 176 HG2 LYS 20 2HG LYS 20 -15.001 5.205 2.916 177 HG3 LYS 20 3HG LYS 20 -14.427 3.779 2.048 178 HD2 LYS 20 2HD LYS 20 -13.864 3.605 4.430 179 HD3 LYS 20 3HD LYS 20 -12.402 3.716 3.453 180 HE2 LYS 20 2HE LYS 20 -12.158 6.089 4.071 181 HE3 LYS 20 3HE LYS 20 -13.653 6.005 5.010 182 HZ1 LYS 20 3HZ LYS 20 -11.223 4.379 5.549 183 HZ2 LYS 20 1HZ LYS 20 -12.642 4.402 6.468 184 HZ3 LYS 20 2HZ LYS 20 -11.665 5.777 6.395 185 H PHE 21 H PHE 21 -11.952 5.149 -1.093 186 HA PHE 21 HA PHE 21 -11.530 7.805 -2.347 187 HB2 PHE 21 2HB PHE 21 -9.224 6.054 -1.386 188 HB3 PHE 21 3HB PHE 21 -9.168 7.737 -1.890 189 HD1 PHE 21 HD1 PHE 21 -10.210 9.512 -0.356 190 HD2 PHE 21 HD2 PHE 21 -9.550 5.480 0.912 191 HE1 PHE 21 HE1 PHE 21 -10.381 10.217 1.991 192 HE2 PHE 21 HE2 PHE 21 -9.728 6.201 3.257 193 HZ PHE 21 HZ PHE 21 -10.135 8.561 3.798 194 HA PRO 22 HA PRO 22 -11.639 4.372 -5.509 195 HB2 PRO 22 2HB PRO 22 -13.033 5.686 -7.448 196 HB3 PRO 22 3HB PRO 22 -13.839 5.012 -6.015 197 HG2 PRO 22 2HG PRO 22 -12.985 7.860 -6.512 198 HG3 PRO 22 3HG PRO 22 -14.540 7.246 -5.901 199 HD2 PRO 22 2HD PRO 22 -12.601 8.193 -4.230 200 HD3 PRO 22 3HD PRO 22 -13.715 6.893 -3.749 201 H GLN 23 H GLN 23 -10.212 7.448 -5.434 202 HA GLN 23 HA GLN 23 -9.133 7.445 -8.151 203 HB2 GLN 23 2HB GLN 23 -8.329 9.712 -7.619 204 HB3 GLN 23 3HB GLN 23 -10.047 9.550 -7.272 205 HG2 GLN 23 2HG GLN 23 -9.596 9.381 -4.875 206 HG3 GLN 23 3HG GLN 23 -7.857 9.406 -5.170 207 HE21 GLN 23 1HE2 GLN 23 -9.523 11.216 -3.575 208 HE22 GLN 23 2HE2 GLN 23 -9.244 12.798 -4.212 209 H VAL 24 H VAL 24 -8.154 6.271 -5.104 210 HA VAL 24 HA VAL 24 -5.272 6.694 -5.591 211 HB VAL 24 HB VAL 24 -4.859 5.798 -3.356 212 HG11 VAL 24 1HG1 VAL 24 -5.981 7.505 -1.972 213 HG12 VAL 24 2HG1 VAL 24 -7.125 7.822 -3.281 214 HG13 VAL 24 3HG1 VAL 24 -5.410 8.180 -3.500 215 HG21 VAL 24 3HG2 VAL 24 -6.669 5.093 -1.820 216 HG22 VAL 24 1HG2 VAL 24 -6.594 4.050 -3.241 217 HG23 VAL 24 2HG2 VAL 24 -7.852 5.281 -3.115 218 H GLU 25 H GLU 25 -3.786 4.865 -5.466 219 HA GLU 25 HA GLU 25 -4.778 2.480 -6.827 220 HB2 GLU 25 2HB GLU 25 -1.932 3.208 -6.003 221 HB3 GLU 25 3HB GLU 25 -2.396 1.875 -7.055 222 HG2 GLU 25 2HG GLU 25 -2.599 4.840 -7.637 223 HG3 GLU 25 3HG GLU 25 -1.535 3.669 -8.413 224 H VAL 26 H VAL 26 -4.941 0.500 -5.897 225 HA VAL 26 HA VAL 26 -3.885 0.017 -3.166 226 HB VAL 26 HB VAL 26 -6.673 -0.772 -4.167 227 HG11 VAL 26 1HG1 VAL 26 -5.366 -1.466 -1.508 228 HG12 VAL 26 2HG1 VAL 26 -5.733 -2.603 -2.806 229 HG13 VAL 26 3HG1 VAL 26 -7.046 -1.800 -1.944 230 HG21 VAL 26 3HG2 VAL 26 -6.561 1.577 -3.443 231 HG22 VAL 26 1HG2 VAL 26 -5.856 1.085 -1.901 232 HG23 VAL 26 2HG2 VAL 26 -7.514 0.629 -2.299 233 H ARG 27 H ARG 27 -2.845 -1.924 -2.961 234 HA ARG 27 HA ARG 27 -2.954 -3.879 -5.192 235 HB2 ARG 27 2HB ARG 27 -0.584 -3.027 -3.471 236 HB3 ARG 27 3HB ARG 27 -0.555 -4.424 -4.538 237 HG2 ARG 27 2HG ARG 27 -1.008 -1.571 -5.480 238 HG3 ARG 27 3HG ARG 27 0.556 -2.386 -5.472 239 HD2 ARG 27 2HD ARG 27 -0.271 -2.552 -7.696 240 HD3 ARG 27 3HD ARG 27 -0.475 -4.150 -6.979 241 HE ARG 27 HE ARG 27 -2.775 -2.338 -6.933 242 HH11 ARG 27 1HH1 ARG 27 -1.241 -5.104 -8.452 243 HH12 ARG 27 2HH1 ARG 27 -2.701 -5.642 -9.219 244 HH21 ARG 27 1HH2 ARG 27 -4.698 -3.078 -7.928 245 HH22 ARG 27 2HH2 ARG 27 -4.650 -4.500 -8.925 246 H LEU 28 H LEU 28 -3.619 -5.845 -4.615 247 HA LEU 28 HA LEU 28 -4.008 -6.533 -1.789 248 HB2 LEU 28 2HB LEU 28 -5.901 -6.823 -3.343 249 HB3 LEU 28 3HB LEU 28 -4.938 -7.892 -4.349 250 HG LEU 28 HG LEU 28 -4.840 -9.542 -2.446 251 HD11 LEU 28 1HD1 LEU 28 -5.136 -8.019 -0.571 252 HD12 LEU 28 2HD1 LEU 28 -6.353 -9.291 -0.536 253 HD13 LEU 28 3HD1 LEU 28 -6.791 -7.671 -1.082 254 HD21 LEU 28 3HD2 LEU 28 -6.505 -9.825 -4.213 255 HD22 LEU 28 1HD2 LEU 28 -7.643 -8.799 -3.334 256 HD23 LEU 28 2HD2 LEU 28 -7.145 -10.354 -2.659 257 H VAL 29 H VAL 29 -2.611 -7.842 -0.749 258 HA VAL 29 HA VAL 29 -0.845 -9.661 -2.263 259 HB VAL 29 HB VAL 29 -0.240 -8.245 0.372 260 HG11 VAL 29 1HG1 VAL 29 2.020 -9.253 0.213 261 HG12 VAL 29 2HG1 VAL 29 1.516 -10.166 -1.211 262 HG13 VAL 29 3HG1 VAL 29 0.774 -10.493 0.357 263 HG21 VAL 29 3HG2 VAL 29 -0.067 -6.723 -1.559 264 HG22 VAL 29 1HG2 VAL 29 1.022 -7.854 -2.369 265 HG23 VAL 29 2HG2 VAL 29 1.527 -7.055 -0.878 266 H THR 30 H THR 30 -1.824 -11.575 -2.115 267 HA THR 30 HA THR 30 -2.753 -12.590 0.510 268 HB THR 30 HB THR 30 -3.951 -14.346 -0.830 269 HG1 THR 30 HG1 THR 30 -3.039 -12.798 -3.059 270 HG21 THR 30 3HG2 THR 30 -4.651 -11.499 -1.655 271 HG22 THR 30 1HG2 THR 30 -5.191 -12.306 -0.173 272 HG23 THR 30 2HG2 THR 30 -5.727 -12.893 -1.747 273 H THR 31 H THR 31 -0.502 -13.091 -2.125 274 HA THR 31 HA THR 31 0.852 -15.277 -0.647 275 HB THR 31 HB THR 31 1.501 -16.300 -2.806 276 HG1 THR 31 HG1 THR 31 -0.149 -14.284 -3.951 277 HG21 THR 31 3HG2 THR 31 -0.593 -17.126 -1.784 278 HG22 THR 31 1HG2 THR 31 -0.688 -17.174 -3.547 279 HG23 THR 31 2HG2 THR 31 -1.506 -15.890 -2.654 280 H GLU 32 H GLU 32 3.177 -15.503 -1.497 281 HA GLU 32 HA GLU 32 4.628 -13.103 -1.265 282 HB2 GLU 32 2HB GLU 32 5.597 -15.299 -0.669 283 HB3 GLU 32 3HB GLU 32 5.528 -15.808 -2.352 284 HG2 GLU 32 2HG GLU 32 7.817 -15.197 -1.687 285 HG3 GLU 32 3HG GLU 32 7.221 -14.127 -2.956 286 H GLU 33 H GLU 33 3.538 -14.950 -4.090 287 HA GLU 33 HA GLU 33 4.989 -13.716 -6.116 288 HB2 GLU 33 2HB GLU 33 2.160 -14.834 -6.211 289 HB3 GLU 33 3HB GLU 33 3.094 -14.395 -7.640 290 HG2 GLU 33 2HG GLU 33 3.713 -16.589 -5.645 291 HG3 GLU 33 3HG GLU 33 3.216 -16.789 -7.322 292 H ASP 34 H ASP 34 1.947 -12.687 -4.592 293 HA ASP 34 HA ASP 34 1.377 -10.441 -6.184 294 HB2 ASP 34 2HB ASP 34 0.776 -10.932 -3.235 295 HB3 ASP 34 3HB ASP 34 0.162 -9.549 -4.131 296 H ALA 35 H ALA 35 3.147 -10.646 -3.064 297 HA ALA 35 HA ALA 35 3.737 -7.947 -2.690 298 HB1 ALA 35 3HB ALA 35 4.009 -9.655 -0.937 299 HB2 ALA 35 1HB ALA 35 5.481 -8.698 -1.126 300 HB3 ALA 35 2HB ALA 35 5.395 -10.331 -1.795 301 H LYS 36 H LYS 36 5.644 -10.421 -4.371 302 HA LYS 36 HA LYS 36 7.900 -8.977 -5.133 303 HB2 LYS 36 2HB LYS 36 6.408 -11.230 -6.534 304 HB3 LYS 36 3HB LYS 36 8.012 -10.677 -7.016 305 HG2 LYS 36 2HG LYS 36 9.013 -11.452 -5.004 306 HG3 LYS 36 3HG LYS 36 7.452 -11.635 -4.199 307 HD2 LYS 36 2HD LYS 36 8.413 -13.824 -4.830 308 HD3 LYS 36 3HD LYS 36 6.876 -13.522 -5.638 309 HE2 LYS 36 2HE LYS 36 8.052 -12.968 -7.720 310 HE3 LYS 36 3HE LYS 36 9.611 -13.160 -6.915 311 HZ1 LYS 36 3HZ LYS 36 9.035 -15.122 -8.187 312 HZ2 LYS 36 1HZ LYS 36 7.595 -15.312 -7.320 313 HZ3 LYS 36 2HZ LYS 36 9.086 -15.492 -6.540 314 H GLN 37 H GLN 37 4.830 -9.448 -6.923 315 HA GLN 37 HA GLN 37 5.521 -7.832 -9.172 316 HB2 GLN 37 2HB GLN 37 2.798 -8.733 -8.146 317 HB3 GLN 37 3HB GLN 37 3.066 -7.965 -9.711 318 HG2 GLN 37 2HG GLN 37 4.490 -9.852 -10.404 319 HG3 GLN 37 3HG GLN 37 4.251 -10.614 -8.832 320 HE21 GLN 37 1HE2 GLN 37 2.713 -9.749 -11.860 321 HE22 GLN 37 2HE2 GLN 37 1.356 -10.805 -11.690 322 H VAL 38 H VAL 38 3.991 -7.104 -6.089 323 HA VAL 38 HA VAL 38 2.880 -4.577 -6.696 324 HB VAL 38 HB VAL 38 3.689 -5.850 -4.041 325 HG11 VAL 38 1HG1 VAL 38 2.167 -3.249 -4.440 326 HG12 VAL 38 2HG1 VAL 38 3.766 -3.415 -3.715 327 HG13 VAL 38 3HG1 VAL 38 2.353 -4.087 -2.898 328 HG21 VAL 38 3HG2 VAL 38 0.961 -5.398 -5.308 329 HG22 VAL 38 1HG2 VAL 38 1.250 -6.158 -3.740 330 HG23 VAL 38 2HG2 VAL 38 1.809 -6.940 -5.219 331 H ILE 39 H ILE 39 6.011 -5.523 -5.229 332 HA ILE 39 HA ILE 39 7.229 -3.072 -4.778 333 HB ILE 39 HB ILE 39 8.448 -5.663 -5.838 334 HG12 ILE 39 2HG1 ILE 39 8.468 -4.493 -3.018 335 HG13 ILE 39 3HG1 ILE 39 7.396 -5.773 -3.568 336 HG21 ILE 39 1HG2 ILE 39 9.978 -3.835 -6.432 337 HG22 ILE 39 2HG2 ILE 39 10.674 -4.828 -5.153 338 HG23 ILE 39 3HG2 ILE 39 9.968 -3.259 -4.763 339 HD11 ILE 39 3HD1 ILE 39 10.398 -5.929 -3.332 340 HD12 ILE 39 1HD1 ILE 39 9.358 -7.208 -3.971 341 HD13 ILE 39 2HD1 ILE 39 9.199 -6.697 -2.293 342 H LYS 40 H LYS 40 7.023 -4.895 -7.794 343 HA LYS 40 HA LYS 40 8.653 -3.166 -9.381 344 HB2 LYS 40 2HB LYS 40 6.624 -5.247 -10.284 345 HB3 LYS 40 3HB LYS 40 7.951 -4.589 -11.243 346 HG2 LYS 40 2HG LYS 40 9.580 -5.641 -9.748 347 HG3 LYS 40 3HG LYS 40 8.270 -6.252 -8.729 348 HD2 LYS 40 2HD LYS 40 7.426 -7.570 -10.702 349 HD3 LYS 40 3HD LYS 40 8.840 -7.034 -11.619 350 HE2 LYS 40 2HE LYS 40 10.288 -8.085 -9.871 351 HE3 LYS 40 3HE LYS 40 8.835 -8.718 -9.097 352 HZ1 LYS 40 3HZ LYS 40 9.792 -9.350 -11.828 353 HZ2 LYS 40 1HZ LYS 40 8.359 -9.923 -11.147 354 HZ3 LYS 40 2HZ LYS 40 9.844 -10.372 -10.484 355 H GLU 41 H GLU 41 5.178 -3.589 -8.862 356 HA GLU 41 HA GLU 41 4.204 -2.071 -11.029 357 HB2 GLU 41 2HB GLU 41 2.899 -3.794 -9.715 358 HB3 GLU 41 3HB GLU 41 2.808 -2.653 -8.379 359 HG2 GLU 41 2HG GLU 41 0.716 -2.598 -9.592 360 HG3 GLU 41 3HG GLU 41 1.558 -1.072 -9.857 361 H ILE 42 H ILE 42 4.720 -1.283 -7.619 362 HA ILE 42 HA ILE 42 3.939 1.371 -7.474 363 HB ILE 42 HB ILE 42 6.170 -0.134 -6.035 364 HG12 ILE 42 2HG1 ILE 42 3.400 0.632 -4.992 365 HG13 ILE 42 3HG1 ILE 42 3.761 -0.926 -5.723 366 HG21 ILE 42 1HG2 ILE 42 5.028 2.574 -5.302 367 HG22 ILE 42 2HG2 ILE 42 6.665 2.259 -5.882 368 HG23 ILE 42 3HG2 ILE 42 6.149 1.634 -4.315 369 HD11 ILE 42 3HD1 ILE 42 3.751 -1.036 -3.293 370 HD12 ILE 42 1HD1 ILE 42 5.047 0.155 -3.216 371 HD13 ILE 42 2HD1 ILE 42 5.341 -1.423 -3.947 372 H GLN 43 H GLN 43 7.086 0.014 -8.463 373 HA GLN 43 HA GLN 43 8.475 2.468 -8.837 374 HB2 GLN 43 2HB GLN 43 9.005 -0.310 -9.971 375 HB3 GLN 43 3HB GLN 43 10.134 1.040 -10.097 376 HG2 GLN 43 2HG GLN 43 10.309 1.138 -7.653 377 HG3 GLN 43 3HG GLN 43 9.156 -0.186 -7.502 378 HE21 GLN 43 1HE2 GLN 43 9.844 -2.297 -7.995 379 HE22 GLN 43 2HE2 GLN 43 11.512 -2.708 -8.163 380 H LYS 44 H LYS 44 6.538 0.421 -10.979 381 HA LYS 44 HA LYS 44 7.166 1.835 -13.402 382 HB2 LYS 44 2HB LYS 44 4.947 -0.163 -12.788 383 HB3 LYS 44 3HB LYS 44 5.304 0.462 -14.401 384 HG2 LYS 44 2HG LYS 44 7.177 -1.163 -12.656 385 HG3 LYS 44 3HG LYS 44 6.326 -1.741 -14.089 386 HD2 LYS 44 2HD LYS 44 7.643 -0.325 -15.541 387 HD3 LYS 44 3HD LYS 44 8.328 0.558 -14.176 388 HE2 LYS 44 2HE LYS 44 9.974 -0.996 -15.097 389 HE3 LYS 44 3HE LYS 44 9.528 -1.483 -13.465 390 HZ1 LYS 44 3HZ LYS 44 9.658 -3.369 -14.948 391 HZ2 LYS 44 1HZ LYS 44 8.503 -2.688 -15.976 392 HZ3 LYS 44 2HZ LYS 44 8.074 -3.157 -14.414 393 H LYS 45 H LYS 45 4.721 2.177 -10.932 394 HA LYS 45 HA LYS 45 3.179 4.175 -12.357 395 HB2 LYS 45 2HB LYS 45 3.112 2.922 -9.623 396 HB3 LYS 45 3HB LYS 45 2.428 4.526 -9.759 397 HG2 LYS 45 2HG LYS 45 0.714 2.801 -9.873 398 HG3 LYS 45 3HG LYS 45 0.769 3.762 -11.341 399 HD2 LYS 45 2HD LYS 45 2.228 1.120 -11.272 400 HD3 LYS 45 3HD LYS 45 0.475 1.120 -11.430 401 HE2 LYS 45 2HE LYS 45 0.738 2.614 -13.451 402 HE3 LYS 45 3HE LYS 45 2.482 2.380 -13.327 403 HZ1 LYS 45 3HZ LYS 45 2.153 0.013 -13.619 404 HZ2 LYS 45 1HZ LYS 45 1.483 0.869 -14.916 405 HZ3 LYS 45 2HZ LYS 45 0.479 0.227 -13.716 406 H GLY 46 H GLY 46 6.042 4.119 -10.370 407 HA2 GLY 46 2HA GLY 46 7.536 5.780 -9.792 408 HA3 GLY 46 3HA GLY 46 6.592 6.928 -10.731 409 H VAL 47 H VAL 47 5.818 4.876 -7.969 410 HA VAL 47 HA VAL 47 4.345 7.016 -6.644 411 HB VAL 47 HB VAL 47 4.558 4.013 -6.246 412 HG11 VAL 47 1HG1 VAL 47 2.997 5.885 -4.438 413 HG12 VAL 47 2HG1 VAL 47 4.414 4.950 -3.969 414 HG13 VAL 47 3HG1 VAL 47 2.918 4.124 -4.409 415 HG21 VAL 47 3HG2 VAL 47 2.172 5.774 -6.881 416 HG22 VAL 47 1HG2 VAL 47 2.203 4.010 -6.829 417 HG23 VAL 47 2HG2 VAL 47 3.114 4.867 -8.066 418 H GLN 48 H GLN 48 4.768 7.683 -4.552 419 HA GLN 48 HA GLN 48 7.599 7.421 -3.725 420 HB2 GLN 48 2HB GLN 48 5.780 9.840 -3.385 421 HB3 GLN 48 3HB GLN 48 7.497 9.754 -3.013 422 HG2 GLN 48 2HG GLN 48 6.240 9.583 -5.769 423 HG3 GLN 48 3HG GLN 48 7.147 10.947 -5.120 424 HE21 GLN 48 1HE2 GLN 48 7.587 9.265 -7.530 425 HE22 GLN 48 2HE2 GLN 48 9.206 8.683 -7.386 426 H LYS 49 H LYS 49 4.245 7.713 -2.575 427 HA LYS 49 HA LYS 49 5.106 6.830 0.131 428 HB2 LYS 49 2HB LYS 49 2.594 8.325 -0.744 429 HB3 LYS 49 3HB LYS 49 2.884 7.735 0.893 430 HG2 LYS 49 2HG LYS 49 4.861 9.220 1.057 431 HG3 LYS 49 3HG LYS 49 4.510 9.845 -0.560 432 HD2 LYS 49 2HD LYS 49 2.364 10.742 0.208 433 HD3 LYS 49 3HD LYS 49 2.591 10.017 1.805 434 HE2 LYS 49 2HE LYS 49 3.098 12.417 1.851 435 HE3 LYS 49 3HE LYS 49 4.543 11.463 2.182 436 HZ1 LYS 49 3HZ LYS 49 3.862 12.647 -0.454 437 HZ2 LYS 49 1HZ LYS 49 5.288 11.826 -0.067 438 HZ3 LYS 49 2HZ LYS 49 4.945 13.318 0.656 439 H VAL 50 H VAL 50 4.439 4.867 0.807 440 HA VAL 50 HA VAL 50 2.082 3.606 -0.456 441 HB VAL 50 HB VAL 50 4.714 2.238 0.258 442 HG11 VAL 50 1HG1 VAL 50 2.869 0.781 1.001 443 HG12 VAL 50 2HG1 VAL 50 3.649 0.098 -0.426 444 HG13 VAL 50 3HG1 VAL 50 2.098 0.926 -0.580 445 HG21 VAL 50 3HG2 VAL 50 3.210 2.431 -2.382 446 HG22 VAL 50 1HG2 VAL 50 4.749 1.601 -2.124 447 HG23 VAL 50 2HG2 VAL 50 4.653 3.354 -1.956 448 H VAL 51 H VAL 51 0.567 3.186 0.920 449 HA VAL 51 HA VAL 51 0.943 3.165 3.800 450 HB VAL 51 HB VAL 51 -1.514 3.171 1.999 451 HG11 VAL 51 1HG1 VAL 51 -2.110 1.758 3.868 452 HG12 VAL 51 2HG1 VAL 51 -2.885 3.327 4.086 453 HG13 VAL 51 3HG1 VAL 51 -1.443 2.919 5.012 454 HG21 VAL 51 3HG2 VAL 51 -0.506 5.199 4.031 455 HG22 VAL 51 1HG2 VAL 51 -1.972 5.353 3.056 456 HG23 VAL 51 2HG2 VAL 51 -0.389 5.347 2.277 457 H LEU 52 H LEU 52 1.588 1.299 4.598 458 HA LEU 52 HA LEU 52 0.825 -1.313 3.527 459 HB2 LEU 52 2HB LEU 52 2.791 -0.438 5.681 460 HB3 LEU 52 3HB LEU 52 2.595 -2.092 5.123 461 HG LEU 52 HG LEU 52 3.413 0.143 3.222 462 HD11 LEU 52 1HD1 LEU 52 5.752 -0.523 3.494 463 HD12 LEU 52 2HD1 LEU 52 5.297 -1.634 4.789 464 HD13 LEU 52 3HD1 LEU 52 5.082 0.105 5.000 465 HD21 LEU 52 3HD2 LEU 52 4.293 -1.695 1.847 466 HD22 LEU 52 1HD2 LEU 52 2.568 -1.887 2.154 467 HD23 LEU 52 2HD2 LEU 52 3.735 -2.871 3.042 468 H VAL 53 H VAL 53 -1.225 -1.793 4.222 469 HA VAL 53 HA VAL 53 -1.975 -1.485 7.067 470 HB VAL 53 HB VAL 53 -3.808 -2.070 4.691 471 HG11 VAL 53 1HG1 VAL 53 -5.664 -1.506 6.237 472 HG12 VAL 53 2HG1 VAL 53 -4.505 -1.305 7.553 473 HG13 VAL 53 3HG1 VAL 53 -4.738 -2.892 6.818 474 HG21 VAL 53 3HG2 VAL 53 -4.572 0.271 4.854 475 HG22 VAL 53 1HG2 VAL 53 -2.851 0.181 4.466 476 HG23 VAL 53 2HG2 VAL 53 -3.366 0.581 6.106 477 H GLY 54 H GLY 54 -1.872 -3.241 8.290 478 HA2 GLY 54 2HA GLY 54 -2.080 -5.366 9.090 479 HA3 GLY 54 3HA GLY 54 -3.180 -5.661 7.755 480 H VAL 55 H VAL 55 0.217 -4.793 7.357 481 HA VAL 55 HA VAL 55 0.632 -7.258 5.799 482 HB VAL 55 HB VAL 55 2.618 -6.166 4.859 483 HG11 VAL 55 1HG1 VAL 55 1.559 -4.289 3.651 484 HG12 VAL 55 2HG1 VAL 55 0.237 -4.270 4.821 485 HG13 VAL 55 3HG1 VAL 55 0.468 -5.673 3.774 486 HG21 VAL 55 3HG2 VAL 55 3.418 -4.938 6.832 487 HG22 VAL 55 1HG2 VAL 55 2.039 -3.837 6.739 488 HG23 VAL 55 2HG2 VAL 55 3.259 -3.841 5.462 489 H SER 56 H SER 56 2.847 -8.262 5.953 490 HA SER 56 HA SER 56 3.732 -8.729 8.642 491 HB2 SER 56 2HB SER 56 3.881 -10.511 6.934 492 HB3 SER 56 3HB SER 56 4.964 -9.516 5.958 493 HG SER 56 HG SER 56 5.445 -10.855 8.380 494 H GLU 57 H GLU 57 5.619 -7.967 9.601 495 HA GLU 57 HA GLU 57 6.718 -5.456 8.929 496 HB2 GLU 57 2HB GLU 57 8.351 -5.932 10.728 497 HB3 GLU 57 3HB GLU 57 6.711 -6.346 11.224 498 HG2 GLU 57 2HG GLU 57 7.188 -8.738 10.709 499 HG3 GLU 57 3HG GLU 57 8.851 -8.297 10.317 500 H LYS 58 H LYS 58 7.547 -8.713 8.023 501 HA LYS 58 HA LYS 58 10.131 -8.363 6.942 502 HB2 LYS 58 2HB LYS 58 9.140 -10.571 7.432 503 HB3 LYS 58 3HB LYS 58 7.911 -10.319 6.201 504 HG2 LYS 58 2HG LYS 58 9.628 -11.844 5.389 505 HG3 LYS 58 3HG LYS 58 9.654 -10.345 4.454 506 HD2 LYS 58 2HD LYS 58 11.603 -9.553 5.737 507 HD3 LYS 58 3HD LYS 58 11.562 -11.007 6.739 508 HE2 LYS 58 2HE LYS 58 12.031 -10.975 3.736 509 HE3 LYS 58 3HE LYS 58 13.298 -11.105 4.956 510 HZ1 LYS 58 3HZ LYS 58 11.088 -13.051 4.570 511 HZ2 LYS 58 1HZ LYS 58 12.335 -13.179 5.704 512 HZ3 LYS 58 2HZ LYS 58 12.683 -13.259 4.052 513 H LEU 59 H LEU 59 6.880 -8.116 5.517 514 HA LEU 59 HA LEU 59 7.807 -7.413 2.875 515 HB2 LEU 59 2HB LEU 59 5.020 -7.383 4.102 516 HB3 LEU 59 3HB LEU 59 5.359 -7.041 2.412 517 HG LEU 59 HG LEU 59 5.782 -9.704 3.829 518 HD11 LEU 59 1HD1 LEU 59 3.432 -9.222 3.320 519 HD12 LEU 59 2HD1 LEU 59 4.038 -10.546 2.329 520 HD13 LEU 59 3HD1 LEU 59 3.840 -8.937 1.625 521 HD21 LEU 59 3HD2 LEU 59 7.586 -9.373 2.209 522 HD22 LEU 59 1HD2 LEU 59 6.418 -8.969 0.947 523 HD23 LEU 59 2HD2 LEU 59 6.464 -10.598 1.626 524 H LEU 60 H LEU 60 6.848 -5.701 5.762 525 HA LEU 60 HA LEU 60 6.352 -3.139 4.755 526 HB2 LEU 60 2HB LEU 60 5.868 -3.784 7.062 527 HB3 LEU 60 3HB LEU 60 7.566 -4.021 7.402 528 HG LEU 60 HG LEU 60 6.672 -1.243 6.605 529 HD11 LEU 60 1HD1 LEU 60 6.239 -2.345 9.397 530 HD12 LEU 60 2HD1 LEU 60 4.975 -1.892 8.251 531 HD13 LEU 60 3HD1 LEU 60 6.054 -0.659 8.896 532 HD21 LEU 60 3HD2 LEU 60 9.077 -1.649 6.987 533 HD22 LEU 60 1HD2 LEU 60 8.735 -2.209 8.626 534 HD23 LEU 60 2HD2 LEU 60 8.432 -0.526 8.179 535 H GLN 61 H GLN 61 9.383 -4.572 5.936 536 HA GLN 61 HA GLN 61 11.068 -2.400 5.168 537 HB2 GLN 61 2HB GLN 61 11.818 -5.277 5.825 538 HB3 GLN 61 3HB GLN 61 12.931 -3.908 5.785 539 HG2 GLN 61 2HG GLN 61 11.774 -2.873 7.677 540 HG3 GLN 61 3HG GLN 61 10.573 -4.165 7.683 541 HE21 GLN 61 1HE2 GLN 61 11.020 -4.821 9.792 542 HE22 GLN 61 2HE2 GLN 61 12.498 -5.589 10.248 543 H LYS 62 H LYS 62 10.254 -5.528 3.680 544 HA LYS 62 HA LYS 62 12.203 -5.612 1.672 545 HB2 LYS 62 2HB LYS 62 10.867 -7.571 2.277 546 HB3 LYS 62 3HB LYS 62 9.398 -6.796 1.692 547 HG2 LYS 62 2HG LYS 62 10.283 -6.845 -0.614 548 HG3 LYS 62 3HG LYS 62 11.771 -7.600 -0.027 549 HD2 LYS 62 2HD LYS 62 10.472 -9.564 0.743 550 HD3 LYS 62 3HD LYS 62 8.980 -8.809 0.173 551 HE2 LYS 62 2HE LYS 62 9.769 -8.910 -2.131 552 HE3 LYS 62 3HE LYS 62 11.333 -9.529 -1.599 553 HZ1 LYS 62 3HZ LYS 62 10.250 -11.513 -0.806 554 HZ2 LYS 62 1HZ LYS 62 9.890 -11.275 -2.439 555 HZ3 LYS 62 2HZ LYS 62 8.738 -10.915 -1.257 556 H ILE 63 H ILE 63 8.812 -4.498 1.419 557 HA ILE 63 HA ILE 63 8.877 -3.693 -1.272 558 HB ILE 63 HB ILE 63 6.991 -3.184 1.033 559 HG12 ILE 63 2HG1 ILE 63 5.300 -4.205 -0.497 560 HG13 ILE 63 3HG1 ILE 63 6.497 -4.276 -1.781 561 HG21 ILE 63 1HG2 ILE 63 6.731 -1.667 -1.582 562 HG22 ILE 63 2HG2 ILE 63 7.036 -0.965 0.008 563 HG23 ILE 63 3HG2 ILE 63 5.494 -1.755 -0.322 564 HD11 ILE 63 3HD1 ILE 63 6.126 -6.447 -0.784 565 HD12 ILE 63 1HD1 ILE 63 6.567 -5.823 0.804 566 HD13 ILE 63 2HD1 ILE 63 7.778 -5.909 -0.478 567 H LYS 64 H LYS 64 9.495 -1.790 1.735 568 HA LYS 64 HA LYS 64 9.616 0.704 0.347 569 HB2 LYS 64 2HB LYS 64 10.298 1.708 2.434 570 HB3 LYS 64 3HB LYS 64 9.031 0.539 2.741 571 HG2 LYS 64 2HG LYS 64 10.420 0.084 4.515 572 HG3 LYS 64 3HG LYS 64 11.057 -1.062 3.340 573 HD2 LYS 64 2HD LYS 64 12.876 0.556 2.780 574 HD3 LYS 64 3HD LYS 64 12.232 1.676 3.983 575 HE2 LYS 64 2HE LYS 64 12.730 0.097 5.770 576 HE3 LYS 64 3HE LYS 64 13.251 -1.117 4.599 577 HZ1 LYS 64 3HZ LYS 64 14.563 1.500 5.117 578 HZ2 LYS 64 1HZ LYS 64 15.052 0.388 3.937 579 HZ3 LYS 64 2HZ LYS 64 15.142 -0.021 5.574 580 H GLN 65 H GLN 65 12.061 -1.719 1.086 581 HA GLN 65 HA GLN 65 14.358 -0.126 0.478 582 HB2 GLN 65 2HB GLN 65 13.967 -3.149 0.474 583 HB3 GLN 65 3HB GLN 65 15.526 -2.377 0.186 584 HG2 GLN 65 2HG GLN 65 15.488 -1.393 2.416 585 HG3 GLN 65 3HG GLN 65 13.891 -2.070 2.719 586 HE21 GLN 65 1HE2 GLN 65 13.706 -4.357 2.985 587 HE22 GLN 65 2HE2 GLN 65 15.065 -5.316 3.440 588 H GLU 66 H GLU 66 12.625 -2.620 -1.429 589 HA GLU 66 HA GLU 66 14.353 -2.203 -3.719 590 HB2 GLU 66 2HB GLU 66 11.977 -4.070 -3.350 591 HB3 GLU 66 3HB GLU 66 13.110 -4.109 -4.703 592 HG2 GLU 66 2HG GLU 66 14.961 -4.584 -3.094 593 HG3 GLU 66 3HG GLU 66 13.777 -4.639 -1.788 594 H ALA 67 H ALA 67 10.893 -1.620 -3.007 595 HA ALA 67 HA ALA 67 10.342 -0.427 -5.563 596 HB1 ALA 67 3HB ALA 67 8.545 -1.461 -4.232 597 HB2 ALA 67 1HB ALA 67 8.179 0.221 -4.626 598 HB3 ALA 67 2HB ALA 67 8.732 -0.208 -3.004 599 H ASN 68 H ASN 68 11.728 0.685 -2.595 600 HA ASN 68 HA ASN 68 12.708 2.596 -1.922 601 HB2 ASN 68 2HB ASN 68 12.602 3.310 -4.886 602 HB3 ASN 68 3HB ASN 68 13.435 4.282 -3.679 603 HD21 ASN 68 1HD2 ASN 68 13.462 1.240 -5.417 604 HD22 ASN 68 2HD2 ASN 68 15.096 0.828 -5.046 605 H VAL 69 H VAL 69 10.562 2.764 -0.857 606 HA VAL 69 HA VAL 69 9.187 5.296 -1.546 607 HB VAL 69 HB VAL 69 6.968 4.219 -0.962 608 HG11 VAL 69 1HG1 VAL 69 8.362 3.057 -3.394 609 HG12 VAL 69 2HG1 VAL 69 7.583 4.640 -3.298 610 HG13 VAL 69 3HG1 VAL 69 6.617 3.172 -3.147 611 HG21 VAL 69 3HG2 VAL 69 6.765 1.743 -1.083 612 HG22 VAL 69 1HG2 VAL 69 7.779 2.248 0.272 613 HG23 VAL 69 2HG2 VAL 69 8.523 1.605 -1.194 614 H GLN 70 H GLN 70 7.795 6.086 0.187 615 HA GLN 70 HA GLN 70 9.061 6.056 2.762 616 HB2 GLN 70 2HB GLN 70 6.416 7.339 1.927 617 HB3 GLN 70 3HB GLN 70 7.356 7.731 3.364 618 HG2 GLN 70 2HG GLN 70 8.193 8.231 0.492 619 HG3 GLN 70 3HG GLN 70 7.604 9.446 1.624 620 HE21 GLN 70 1HE2 GLN 70 10.172 9.226 0.164 621 HE22 GLN 70 2HE2 GLN 70 11.398 9.329 1.378 622 H VAL 71 H VAL 71 8.203 5.245 4.671 623 HA VAL 71 HA VAL 71 6.358 2.976 4.407 624 HB VAL 71 HB VAL 71 8.106 3.772 6.793 625 HG11 VAL 71 1HG1 VAL 71 6.587 1.181 6.269 626 HG12 VAL 71 2HG1 VAL 71 6.156 2.401 7.467 627 HG13 VAL 71 3HG1 VAL 71 7.655 1.486 7.645 628 HG21 VAL 71 3HG2 VAL 71 9.485 3.174 4.846 629 HG22 VAL 71 1HG2 VAL 71 8.609 1.651 4.683 630 HG23 VAL 71 2HG2 VAL 71 9.610 1.945 6.108 631 H TYR 72 H TYR 72 4.255 3.470 4.780 632 HA TYR 72 HA TYR 72 3.632 4.921 7.293 633 HB2 TYR 72 2HB TYR 72 2.004 4.804 4.705 634 HB3 TYR 72 3HB TYR 72 1.422 5.504 6.218 635 HD1 TYR 72 HD1 TYR 72 2.582 7.539 7.175 636 HD2 TYR 72 HD2 TYR 72 3.490 6.075 3.260 637 HE1 TYR 72 HE1 TYR 72 3.673 9.672 6.630 638 HE2 TYR 72 HE2 TYR 72 4.575 8.206 2.722 639 HH TYR 72 HH TYR 72 5.397 10.514 5.042 640 H ARG 73 H ARG 73 3.571 3.163 8.619 641 HA ARG 73 HA ARG 73 1.952 0.828 7.917 642 HB2 ARG 73 2HB ARG 73 3.976 0.327 9.180 643 HB3 ARG 73 3HB ARG 73 3.548 1.488 10.433 644 HG2 ARG 73 2HG ARG 73 3.104 -0.779 11.226 645 HG3 ARG 73 3HG ARG 73 1.585 0.102 11.054 646 HD2 ARG 73 2HD ARG 73 1.454 -1.049 8.704 647 HD3 ARG 73 3HD ARG 73 2.680 -2.145 9.344 648 HE ARG 73 HE ARG 73 0.107 -1.738 10.741 649 HH11 ARG 73 1HH1 ARG 73 2.390 -3.939 9.221 650 HH12 ARG 73 2HH1 ARG 73 1.531 -5.357 9.713 651 HH21 ARG 73 1HH2 ARG 73 -1.044 -3.599 11.311 652 HH22 ARG 73 2HH2 ARG 73 -0.422 -5.156 10.900 653 H VAL 74 H VAL 74 -0.116 1.253 7.949 654 HA VAL 74 HA VAL 74 -1.339 3.035 9.939 655 HB VAL 74 HB VAL 74 -2.382 1.665 7.423 656 HG11 VAL 74 1HG1 VAL 74 -4.469 2.968 7.688 657 HG12 VAL 74 2HG1 VAL 74 -3.900 3.543 9.256 658 HG13 VAL 74 3HG1 VAL 74 -4.240 1.829 9.017 659 HG21 VAL 74 3HG2 VAL 74 -0.841 3.530 6.980 660 HG22 VAL 74 1HG2 VAL 74 -1.786 4.586 8.032 661 HG23 VAL 74 2HG2 VAL 74 -2.485 3.989 6.528 662 H THR 75 H THR 75 -2.267 2.205 11.696 663 HA THR 75 HA THR 75 -3.276 -0.580 11.693 664 HB THR 75 HB THR 75 -2.096 0.710 14.189 665 HG1 THR 75 HG1 THR 75 -0.299 0.725 12.970 666 HG21 THR 75 3HG2 THR 75 -1.720 -1.645 14.848 667 HG22 THR 75 1HG2 THR 75 -2.387 -2.185 13.302 668 HG23 THR 75 2HG2 THR 75 -3.423 -1.368 14.475 669 H SER 76 H SER 76 -4.032 2.666 11.972 670 HA SER 76 HA SER 76 -6.768 1.953 12.808 671 HB2 SER 76 2HB SER 76 -6.927 4.257 13.896 672 HB3 SER 76 3HB SER 76 -5.898 3.111 14.750 673 HG SER 76 HG SER 76 -5.184 5.373 13.241 674 H ASN 77 H ASN 77 -8.370 3.079 11.693 675 HA ASN 77 HA ASN 77 -8.072 3.403 8.994 676 HB2 ASN 77 2HB ASN 77 -10.332 4.407 8.982 677 HB3 ASN 77 3HB ASN 77 -10.256 3.065 10.115 678 HD21 ASN 77 1HD2 ASN 77 -12.008 5.538 9.952 679 HD22 ASN 77 2HD2 ASN 77 -11.906 6.240 11.527 680 H ASP 78 H ASP 78 -7.712 5.893 11.435 681 HA ASP 78 HA ASP 78 -8.140 8.181 9.841 682 HB2 ASP 78 2HB ASP 78 -8.375 8.079 12.338 683 HB3 ASP 78 3HB ASP 78 -6.625 7.962 12.486 684 H GLU 79 H GLU 79 -5.281 6.226 10.420 685 HA GLU 79 HA GLU 79 -3.337 8.199 9.713 686 HB2 GLU 79 2HB GLU 79 -2.853 5.218 9.413 687 HB3 GLU 79 3HB GLU 79 -1.702 6.481 9.822 688 HG2 GLU 79 2HG GLU 79 -3.788 5.190 11.575 689 HG3 GLU 79 3HG GLU 79 -2.039 5.190 11.784 690 H LEU 80 H LEU 80 -4.824 5.467 7.986 691 HA LEU 80 HA LEU 80 -3.674 5.754 5.454 692 HB2 LEU 80 2HB LEU 80 -4.893 3.759 6.054 693 HB3 LEU 80 3HB LEU 80 -6.352 4.653 6.393 694 HG LEU 80 HG LEU 80 -6.211 3.138 4.247 695 HD11 LEU 80 1HD1 LEU 80 -7.354 5.918 3.971 696 HD12 LEU 80 2HD1 LEU 80 -8.144 4.534 4.728 697 HD13 LEU 80 3HD1 LEU 80 -7.780 4.501 3.006 698 HD21 LEU 80 3HD2 LEU 80 -4.885 5.614 3.118 699 HD22 LEU 80 1HD2 LEU 80 -5.434 4.207 2.203 700 HD23 LEU 80 2HD2 LEU 80 -4.112 4.049 3.353 701 H GLU 81 H GLU 81 -6.706 7.062 6.755 702 HA GLU 81 HA GLU 81 -7.600 8.505 4.525 703 HB2 GLU 81 2HB GLU 81 -8.097 8.897 7.502 704 HB3 GLU 81 3HB GLU 81 -8.992 9.755 6.251 705 HG2 GLU 81 2HG GLU 81 -9.900 7.666 5.397 706 HG3 GLU 81 3HG GLU 81 -8.907 6.739 6.522 707 H GLN 82 H GLN 82 -5.320 9.410 7.059 708 HA GLN 82 HA GLN 82 -5.230 12.209 6.461 709 HB2 GLN 82 2HB GLN 82 -4.643 11.281 8.705 710 HB3 GLN 82 3HB GLN 82 -3.228 10.504 8.006 711 HG2 GLN 82 2HG GLN 82 -2.610 12.566 9.190 712 HG3 GLN 82 3HG GLN 82 -2.261 12.704 7.465 713 HE21 GLN 82 1HE2 GLN 82 -2.342 14.947 7.402 714 HE22 GLN 82 2HE2 GLN 82 -3.786 15.857 7.649 715 H VAL 83 H VAL 83 -3.221 9.402 5.574 716 HA VAL 83 HA VAL 83 -1.177 10.886 4.234 717 HB VAL 83 HB VAL 83 -1.889 7.932 3.900 718 HG11 VAL 83 1HG1 VAL 83 -0.478 8.719 2.035 719 HG12 VAL 83 2HG1 VAL 83 0.439 7.642 3.090 720 HG13 VAL 83 3HG1 VAL 83 0.691 9.387 3.182 721 HG21 VAL 83 3HG2 VAL 83 0.182 9.211 5.724 722 HG22 VAL 83 1HG2 VAL 83 -0.094 7.476 5.526 723 HG23 VAL 83 2HG2 VAL 83 -1.343 8.495 6.245 724 H VAL 84 H VAL 84 -4.262 9.492 3.175 725 HA VAL 84 HA VAL 84 -3.952 9.781 0.377 726 HB VAL 84 HB VAL 84 -6.545 9.978 1.985 727 HG11 VAL 84 1HG1 VAL 84 -6.842 10.897 -0.280 728 HG12 VAL 84 2HG1 VAL 84 -7.683 9.355 -0.139 729 HG13 VAL 84 3HG1 VAL 84 -6.138 9.439 -0.986 730 HG21 VAL 84 3HG2 VAL 84 -5.385 7.829 2.358 731 HG22 VAL 84 1HG2 VAL 84 -5.304 7.557 0.618 732 HG23 VAL 84 2HG2 VAL 84 -6.870 7.589 1.438 733 H LYS 85 H LYS 85 -4.972 12.051 2.886 734 HA LYS 85 HA LYS 85 -5.651 14.193 1.091 735 HB2 LYS 85 2HB LYS 85 -5.107 14.190 4.086 736 HB3 LYS 85 3HB LYS 85 -5.739 15.569 3.183 737 HG2 LYS 85 2HG LYS 85 -7.743 14.284 2.575 738 HG3 LYS 85 3HG LYS 85 -7.109 12.867 3.414 739 HD2 LYS 85 2HD LYS 85 -8.777 13.964 4.809 740 HD3 LYS 85 3HD LYS 85 -7.189 14.119 5.558 741 HE2 LYS 85 2HE LYS 85 -7.024 16.438 4.826 742 HE3 LYS 85 3HE LYS 85 -8.522 16.289 3.904 743 HZ1 LYS 85 3HZ LYS 85 -8.842 17.400 6.037 744 HZ2 LYS 85 1HZ LYS 85 -8.313 16.014 6.852 745 HZ3 LYS 85 2HZ LYS 85 -9.734 15.968 5.939 746 H ASP 86 H ASP 86 -2.770 13.289 2.981 747 HA ASP 86 HA ASP 86 -1.347 15.734 2.582 748 HB2 ASP 86 2HB ASP 86 -0.838 14.247 4.494 749 HB3 ASP 86 3HB ASP 86 -0.267 12.998 3.390 750 H VAL 87 H VAL 87 -1.328 12.609 0.896 751 HA VAL 87 HA VAL 87 0.914 13.025 -0.760 752 HB VAL 87 HB VAL 87 -0.222 10.801 -0.329 753 HG11 VAL 87 1HG1 VAL 87 -2.560 11.434 -0.703 754 HG12 VAL 87 2HG1 VAL 87 -2.107 10.088 -1.744 755 HG13 VAL 87 3HG1 VAL 87 -2.233 11.716 -2.413 756 HG21 VAL 87 3HG2 VAL 87 0.247 9.838 -2.543 757 HG22 VAL 87 1HG2 VAL 87 1.484 11.008 -2.078 758 HG23 VAL 87 2HG2 VAL 87 0.244 11.454 -3.251 759 H LYS 88 H LYS 88 -2.371 14.132 -0.979 760 HA LYS 88 HA LYS 88 -2.032 15.298 -3.666 761 HB2 LYS 88 2HB LYS 88 -4.464 14.904 -1.885 762 HB3 LYS 88 3HB LYS 88 -4.513 15.792 -3.400 763 HG2 LYS 88 2HG LYS 88 -3.776 13.739 -4.602 764 HG3 LYS 88 3HG LYS 88 -3.826 12.852 -3.078 765 HD2 LYS 88 2HD LYS 88 -6.266 14.283 -4.194 766 HD3 LYS 88 3HD LYS 88 -5.861 12.636 -4.666 767 HE2 LYS 88 2HE LYS 88 -7.543 12.616 -2.903 768 HE3 LYS 88 3HE LYS 88 -6.042 11.926 -2.297 769 HZ1 LYS 88 3HZ LYS 88 -5.600 13.924 -1.099 770 HZ2 LYS 88 1HZ LYS 88 -7.172 13.430 -0.733 771 HZ3 LYS 88 2HZ LYS 88 -6.919 14.719 -1.797 772 H GLY 89 H GLY 89 -1.489 16.159 -0.507 773 HA2 GLY 89 2HA GLY 89 -0.692 18.182 0.299 774 HA3 GLY 89 3HA GLY 89 -1.293 18.995 -1.136 775 H SER 90 H SER 90 -2.038 17.916 2.097 776 HA SER 90 HA SER 90 -4.798 18.288 2.254 777 HB2 SER 90 2HB SER 90 -2.709 18.719 4.433 778 HB3 SER 90 3HB SER 90 -4.436 18.465 4.707 779 HG SER 90 HG SER 90 -2.687 16.618 4.644 780 H GLY 91 H GLY 91 -2.186 20.625 2.879 781 HA2 GLY 91 2HA GLY 91 -4.129 22.865 2.981 782 HA3 GLY 91 3HA GLY 91 -2.529 22.866 3.708 783 H LEU 92 H LEU 92 -2.851 21.497 0.545 784 HA LEU 92 HA LEU 92 -1.644 23.900 -0.705 785 HB2 LEU 92 2HB LEU 92 -1.590 20.978 -1.570 786 HB3 LEU 92 3HB LEU 92 -0.971 22.297 -2.552 787 HG LEU 92 HG LEU 92 0.128 21.453 0.163 788 HD11 LEU 92 1HD1 LEU 92 1.299 21.093 -2.614 789 HD12 LEU 92 2HD1 LEU 92 0.648 19.817 -1.580 790 HD13 LEU 92 3HD1 LEU 92 2.097 20.690 -1.090 791 HD21 LEU 92 3HD2 LEU 92 1.961 23.050 -0.303 792 HD22 LEU 92 1HD2 LEU 92 0.403 23.862 -0.154 793 HD23 LEU 92 2HD2 LEU 92 1.112 23.603 -1.750 794 H GLU 93 H GLU 93 -2.602 24.843 -2.428 795 HA GLU 93 HA GLU 93 -5.371 24.315 -3.056 796 HB2 GLU 93 2HB GLU 93 -4.555 26.630 -2.964 797 HB3 GLU 93 3HB GLU 93 -3.347 26.290 -4.200 798 HG2 GLU 93 2HG GLU 93 -5.212 25.851 -5.825 799 HG3 GLU 93 3HG GLU 93 -6.359 26.339 -4.579 800 H HIS 94 H HIS 94 -6.114 23.107 -4.745 801 HA HIS 94 HA HIS 94 -4.203 22.094 -6.792 802 HB2 HIS 94 2HB HIS 94 -5.195 20.408 -5.134 803 HB3 HIS 94 3HB HIS 94 -6.765 20.721 -5.863 804 HD1 HIS 94 HD1 HIS 94 -7.331 19.384 -7.918 805 HD2 HIS 94 HD2 HIS 94 -3.285 19.231 -7.012 806 HE1 HIS 94 HE1 HIS 94 -6.336 17.744 -9.530 807 HE2 HIS 94 HE2 HIS 94 -3.926 17.546 -8.844 808 H HIS 95 H HIS 95 -5.799 24.588 -6.846 809 HA HIS 95 HA HIS 95 -8.050 24.186 -8.609 810 HB2 HIS 95 2HB HIS 95 -8.056 25.998 -6.929 811 HB3 HIS 95 3HB HIS 95 -6.680 26.764 -7.713 812 HD1 HIS 95 HD1 HIS 95 -7.194 28.394 -9.561 813 HD2 HIS 95 HD2 HIS 95 -10.487 26.062 -8.568 814 HE1 HIS 95 HE1 HIS 95 -9.107 29.321 -10.892 815 HE2 HIS 95 HE2 HIS 95 -11.110 28.002 -10.144 816 H HIS 96 H HIS 96 -4.691 24.377 -9.142 817 HA HIS 96 HA HIS 96 -4.572 25.853 -11.561 818 HB2 HIS 96 2HB HIS 96 -2.577 25.452 -10.162 819 HB3 HIS 96 3HB HIS 96 -2.638 23.735 -10.540 820 HD1 HIS 96 HD1 HIS 96 -1.668 22.987 -12.795 821 HD2 HIS 96 HD2 HIS 96 -1.688 27.111 -12.312 822 HE1 HIS 96 HE1 HIS 96 -0.310 23.900 -14.697 823 HE2 HIS 96 HE2 HIS 96 -0.499 26.396 -14.480 824 H HIS 97 H HIS 97 -6.359 25.013 -12.712 825 HA HIS 97 HA HIS 97 -5.686 22.730 -14.466 826 HB2 HIS 97 2HB HIS 97 -7.635 22.088 -13.102 827 HB3 HIS 97 3HB HIS 97 -8.447 23.603 -13.472 828 HD1 HIS 97 HD1 HIS 97 -9.936 23.613 -15.502 829 HD2 HIS 97 HD2 HIS 97 -7.401 20.321 -15.433 830 HE1 HIS 97 HE1 HIS 97 -10.645 22.171 -17.434 831 HE2 HIS 97 HE2 HIS 97 -9.154 20.146 -17.316 832 H HIS 98 H HIS 98 -5.308 23.482 -16.474 833 HA HIS 98 HA HIS 98 -5.107 26.220 -16.899 834 HB2 HIS 98 2HB HIS 98 -4.124 25.745 -18.981 835 HB3 HIS 98 3HB HIS 98 -3.815 24.271 -18.074 836 HD1 HIS 98 HD1 HIS 98 -5.835 25.628 -20.942 837 HD2 HIS 98 HD2 HIS 98 -5.079 21.964 -19.124 838 HE1 HIS 98 HE1 HIS 98 -6.792 23.896 -22.483 839 HE2 HIS 98 HE2 HIS 98 -6.440 21.704 -21.300 840 H HIS 99 H HIS 99 -6.274 27.701 -17.989 841 HA HIS 99 HA HIS 99 -8.789 26.927 -19.348 842 HB2 HIS 99 2HB HIS 99 -8.352 29.357 -17.538 843 HB3 HIS 99 3HB HIS 99 -9.793 29.075 -18.508 844 HD1 HIS 99 HD1 HIS 99 -9.006 28.979 -15.162 845 HD2 HIS 99 HD2 HIS 99 -10.662 26.115 -17.681 846 HE1 HIS 99 HE1 HIS 99 -10.230 27.379 -13.661 847 HE2 HIS 99 HE2 HIS 99 -11.357 25.770 -15.222 Start of MODEL 12 1 H1 MET 1 1H MET 1 4.831 15.168 -9.342 2 H2 MET 1 2H MET 1 5.204 13.594 -8.853 3 H3 MET 1 3H MET 1 5.052 14.821 -7.702 4 HA MET 1 HA MET 1 2.724 15.077 -8.209 5 HB2 MET 1 2HB MET 1 3.264 12.774 -10.141 6 HB3 MET 1 3HB MET 1 1.643 13.245 -9.642 7 HG2 MET 1 2HG MET 1 1.942 15.445 -10.650 8 HG3 MET 1 3HG MET 1 3.599 15.047 -11.093 9 HE1 MET 1 3HE MET 1 3.096 12.332 -13.859 10 HE2 MET 1 1HE MET 1 3.459 12.102 -12.149 11 HE3 MET 1 2HE MET 1 4.259 13.387 -13.058 12 H GLY 2 H GLY 2 1.770 14.380 -6.370 13 HA2 GLY 2 2HA GLY 2 2.886 12.187 -4.848 14 HA3 GLY 2 3HA GLY 2 1.589 13.267 -4.359 15 H ARG 3 H ARG 3 2.206 10.633 -6.713 16 HA ARG 3 HA ARG 3 -0.480 9.604 -6.587 17 HB2 ARG 3 2HB ARG 3 0.724 9.157 -8.617 18 HB3 ARG 3 3HB ARG 3 2.106 8.491 -7.752 19 HG2 ARG 3 2HG ARG 3 0.880 6.486 -7.175 20 HG3 ARG 3 3HG ARG 3 -0.641 7.180 -7.735 21 HD2 ARG 3 2HD ARG 3 1.731 6.529 -9.519 22 HD3 ARG 3 3HD ARG 3 0.307 5.504 -9.312 23 HE ARG 3 HE ARG 3 -1.006 7.469 -10.183 24 HH11 ARG 3 1HH1 ARG 3 2.362 7.053 -11.144 25 HH12 ARG 3 2HH1 ARG 3 2.164 7.912 -12.627 26 HH21 ARG 3 1HH2 ARG 3 -1.250 8.558 -12.131 27 HH22 ARG 3 2HH2 ARG 3 0.093 8.771 -13.194 28 H LEU 4 H LEU 4 -1.278 8.235 -5.121 29 HA LEU 4 HA LEU 4 0.511 6.938 -3.163 30 HB2 LEU 4 2HB LEU 4 -1.242 8.572 -2.344 31 HB3 LEU 4 3HB LEU 4 -2.474 7.478 -2.952 32 HG LEU 4 HG LEU 4 -1.569 5.697 -1.375 33 HD11 LEU 4 1HD1 LEU 4 0.687 6.570 -1.057 34 HD12 LEU 4 2HD1 LEU 4 -0.138 6.392 0.485 35 HD13 LEU 4 3HD1 LEU 4 0.045 7.992 -0.232 36 HD21 LEU 4 3HD2 LEU 4 -2.581 8.240 -0.077 37 HD22 LEU 4 1HD2 LEU 4 -2.621 6.623 0.632 38 HD23 LEU 4 2HD2 LEU 4 -3.570 6.974 -0.809 39 H VAL 5 H VAL 5 0.632 4.769 -3.170 40 HA VAL 5 HA VAL 5 -1.536 3.158 -4.402 41 HB VAL 5 HB VAL 5 1.408 2.450 -3.961 42 HG11 VAL 5 1HG1 VAL 5 0.916 0.234 -4.956 43 HG12 VAL 5 2HG1 VAL 5 -0.805 0.628 -4.981 44 HG13 VAL 5 3HG1 VAL 5 0.039 0.469 -3.440 45 HG21 VAL 5 3HG2 VAL 5 1.492 2.203 -6.411 46 HG22 VAL 5 1HG2 VAL 5 0.967 3.830 -5.965 47 HG23 VAL 5 2HG2 VAL 5 -0.213 2.643 -6.524 48 H VAL 6 H VAL 6 -2.906 2.461 -2.850 49 HA VAL 6 HA VAL 6 -1.870 1.980 -0.118 50 HB VAL 6 HB VAL 6 -4.790 2.010 -1.011 51 HG11 VAL 6 1HG1 VAL 6 -4.404 0.622 0.985 52 HG12 VAL 6 2HG1 VAL 6 -5.274 2.093 1.426 53 HG13 VAL 6 3HG1 VAL 6 -3.549 1.954 1.771 54 HG21 VAL 6 3HG2 VAL 6 -3.218 4.190 0.412 55 HG22 VAL 6 1HG2 VAL 6 -4.961 4.200 0.128 56 HG23 VAL 6 2HG2 VAL 6 -3.844 4.266 -1.237 57 H VAL 7 H VAL 7 -0.935 0.058 -0.252 58 HA VAL 7 HA VAL 7 -2.174 -2.272 -1.452 59 HB VAL 7 HB VAL 7 0.290 -2.071 0.325 60 HG11 VAL 7 1HG1 VAL 7 0.956 -4.225 -0.663 61 HG12 VAL 7 2HG1 VAL 7 -0.557 -4.278 -1.570 62 HG13 VAL 7 3HG1 VAL 7 -0.584 -4.354 0.193 63 HG21 VAL 7 3HG2 VAL 7 1.654 -2.052 -1.707 64 HG22 VAL 7 1HG2 VAL 7 0.569 -0.659 -1.679 65 HG23 VAL 7 2HG2 VAL 7 0.198 -2.045 -2.710 66 H VAL 8 H VAL 8 -3.170 -3.884 -0.335 67 HA VAL 8 HA VAL 8 -3.431 -3.816 2.609 68 HB VAL 8 HB VAL 8 -5.826 -4.528 2.372 69 HG11 VAL 8 1HG1 VAL 8 -5.244 -1.846 1.052 70 HG12 VAL 8 2HG1 VAL 8 -5.369 -2.152 2.786 71 HG13 VAL 8 3HG1 VAL 8 -6.789 -2.331 1.758 72 HG21 VAL 8 3HG2 VAL 8 -5.704 -5.503 0.104 73 HG22 VAL 8 1HG2 VAL 8 -5.484 -3.894 -0.589 74 HG23 VAL 8 2HG2 VAL 8 -7.000 -4.316 0.212 75 H THR 9 H THR 9 -3.875 -5.958 3.494 76 HA THR 9 HA THR 9 -3.077 -8.202 1.717 77 HB THR 9 HB THR 9 -2.512 -9.381 3.917 78 HG1 THR 9 HG1 THR 9 -2.077 -7.259 5.426 79 HG21 THR 9 3HG2 THR 9 -0.742 -8.369 2.489 80 HG22 THR 9 1HG2 THR 9 -0.347 -8.235 4.205 81 HG23 THR 9 2HG2 THR 9 -0.951 -6.829 3.328 82 H SER 10 H SER 10 -5.803 -6.852 2.901 83 HA SER 10 HA SER 10 -7.258 -9.423 3.079 84 HB2 SER 10 2HB SER 10 -7.340 -8.394 5.273 85 HB3 SER 10 3HB SER 10 -7.758 -6.823 4.592 86 HG SER 10 HG SER 10 -9.346 -9.155 4.809 87 H GLU 11 H GLU 11 -8.886 -9.671 1.668 88 HA GLU 11 HA GLU 11 -9.503 -7.883 -0.433 89 HB2 GLU 11 2HB GLU 11 -11.125 -10.239 0.641 90 HB3 GLU 11 3HB GLU 11 -11.315 -9.500 -0.950 91 HG2 GLU 11 2HG GLU 11 -9.096 -10.245 -1.624 92 HG3 GLU 11 3HG GLU 11 -8.760 -10.842 -0.002 93 H GLN 12 H GLN 12 -10.893 -8.416 2.752 94 HA GLN 12 HA GLN 12 -13.230 -6.812 2.528 95 HB2 GLN 12 2HB GLN 12 -11.583 -7.514 4.992 96 HB3 GLN 12 3HB GLN 12 -13.202 -6.822 5.027 97 HG2 GLN 12 2HG GLN 12 -14.127 -8.828 4.012 98 HG3 GLN 12 3HG GLN 12 -12.518 -9.517 3.818 99 HE21 GLN 12 1HE2 GLN 12 -11.606 -8.622 6.487 100 HE22 GLN 12 2HE2 GLN 12 -12.395 -9.657 7.619 101 H LEU 13 H LEU 13 -9.862 -6.076 3.296 102 HA LEU 13 HA LEU 13 -10.397 -3.284 3.882 103 HB2 LEU 13 2HB LEU 13 -7.825 -4.876 3.635 104 HB3 LEU 13 3HB LEU 13 -7.839 -3.145 3.934 105 HG LEU 13 HG LEU 13 -9.037 -5.258 5.777 106 HD11 LEU 13 1HD1 LEU 13 -6.581 -5.306 5.783 107 HD12 LEU 13 2HD1 LEU 13 -7.213 -4.710 7.315 108 HD13 LEU 13 3HD1 LEU 13 -6.537 -3.577 6.141 109 HD21 LEU 13 3HD2 LEU 13 -8.853 -2.243 6.119 110 HD22 LEU 13 1HD2 LEU 13 -9.355 -3.383 7.371 111 HD23 LEU 13 2HD2 LEU 13 -10.325 -3.198 5.914 112 H LYS 14 H LYS 14 -9.607 -5.188 1.054 113 HA LYS 14 HA LYS 14 -8.617 -3.088 -0.595 114 HB2 LYS 14 2HB LYS 14 -8.341 -5.492 -1.177 115 HB3 LYS 14 3HB LYS 14 -10.080 -5.639 -1.425 116 HG2 LYS 14 2HG LYS 14 -9.927 -3.993 -3.297 117 HG3 LYS 14 3HG LYS 14 -8.176 -3.917 -3.062 118 HD2 LYS 14 2HD LYS 14 -7.985 -6.321 -3.625 119 HD3 LYS 14 3HD LYS 14 -9.739 -6.423 -3.817 120 HE2 LYS 14 2HE LYS 14 -9.588 -4.757 -5.673 121 HE3 LYS 14 3HE LYS 14 -7.832 -4.779 -5.516 122 HZ1 LYS 14 3HZ LYS 14 -7.868 -7.141 -6.066 123 HZ2 LYS 14 1HZ LYS 14 -8.570 -6.214 -7.297 124 HZ3 LYS 14 2HZ LYS 14 -9.547 -7.095 -6.236 125 H GLU 15 H GLU 15 -11.868 -4.539 -0.272 126 HA GLU 15 HA GLU 15 -13.245 -2.753 -1.967 127 HB2 GLU 15 2HB GLU 15 -15.314 -3.630 -0.914 128 HB3 GLU 15 3HB GLU 15 -14.202 -4.923 -1.353 129 HG2 GLU 15 2HG GLU 15 -13.492 -5.148 0.980 130 HG3 GLU 15 3HG GLU 15 -14.528 -3.804 1.449 131 H GLU 16 H GLU 16 -12.288 -2.512 1.390 132 HA GLU 16 HA GLU 16 -13.999 -0.395 2.197 133 HB2 GLU 16 2HB GLU 16 -12.856 -1.947 3.766 134 HB3 GLU 16 3HB GLU 16 -11.299 -1.270 3.308 135 HG2 GLU 16 2HG GLU 16 -12.075 -0.418 5.486 136 HG3 GLU 16 3HG GLU 16 -11.884 0.875 4.305 137 H VAL 17 H VAL 17 -10.544 -0.421 1.228 138 HA VAL 17 HA VAL 17 -10.243 2.401 1.323 139 HB VAL 17 HB VAL 17 -8.480 0.342 -0.074 140 HG11 VAL 17 1HG1 VAL 17 -8.079 2.634 -0.940 141 HG12 VAL 17 2HG1 VAL 17 -6.706 2.041 -0.015 142 HG13 VAL 17 3HG1 VAL 17 -7.810 3.209 0.709 143 HG21 VAL 17 3HG2 VAL 17 -7.063 0.456 1.941 144 HG22 VAL 17 1HG2 VAL 17 -8.697 -0.061 2.366 145 HG23 VAL 17 2HG2 VAL 17 -8.184 1.598 2.687 146 H ARG 18 H ARG 18 -10.981 0.190 -1.435 147 HA ARG 18 HA ARG 18 -10.790 2.178 -3.456 148 HB2 ARG 18 2HB ARG 18 -12.478 -0.364 -3.489 149 HB3 ARG 18 3HB ARG 18 -12.171 0.658 -4.889 150 HG2 ARG 18 2HG ARG 18 -9.649 0.178 -4.365 151 HG3 ARG 18 3HG ARG 18 -10.274 -1.172 -3.425 152 HD2 ARG 18 2HD ARG 18 -10.741 -0.694 -6.390 153 HD3 ARG 18 3HD ARG 18 -9.593 -1.839 -5.703 154 HE ARG 18 HE ARG 18 -12.191 -2.426 -4.754 155 HH11 ARG 18 1HH1 ARG 18 -10.316 -2.646 -7.750 156 HH12 ARG 18 2HH1 ARG 18 -11.240 -3.975 -8.365 157 HH21 ARG 18 1HH2 ARG 18 -13.398 -4.158 -5.612 158 HH22 ARG 18 2HH2 ARG 18 -12.988 -4.832 -7.152 159 H LYS 19 H LYS 19 -13.362 1.248 -1.263 160 HA LYS 19 HA LYS 19 -15.520 2.728 -2.376 161 HB2 LYS 19 2HB LYS 19 -15.810 0.890 -0.755 162 HB3 LYS 19 3HB LYS 19 -14.976 1.827 0.474 163 HG2 LYS 19 2HG LYS 19 -16.880 3.524 0.311 164 HG3 LYS 19 3HG LYS 19 -17.718 2.355 -0.715 165 HD2 LYS 19 2HD LYS 19 -18.466 2.204 1.655 166 HD3 LYS 19 3HD LYS 19 -17.718 0.699 1.110 167 HE2 LYS 19 2HE LYS 19 -15.637 1.282 2.269 168 HE3 LYS 19 3HE LYS 19 -16.298 2.849 2.726 169 HZ1 LYS 19 3HZ LYS 19 -17.329 0.220 3.627 170 HZ2 LYS 19 1HZ LYS 19 -17.940 1.727 4.080 171 HZ3 LYS 19 2HZ LYS 19 -16.377 1.273 4.544 172 H LYS 20 H LYS 20 -13.170 3.452 0.207 173 HA LYS 20 HA LYS 20 -14.097 6.060 0.852 174 HB2 LYS 20 2HB LYS 20 -11.534 4.523 1.379 175 HB3 LYS 20 3HB LYS 20 -11.634 6.223 1.817 176 HG2 LYS 20 2HG LYS 20 -13.510 5.748 3.323 177 HG3 LYS 20 3HG LYS 20 -13.465 4.040 2.874 178 HD2 LYS 20 2HD LYS 20 -11.496 3.630 4.066 179 HD3 LYS 20 3HD LYS 20 -10.926 5.293 3.928 180 HE2 LYS 20 2HE LYS 20 -11.521 4.719 6.250 181 HE3 LYS 20 3HE LYS 20 -12.540 6.014 5.625 182 HZ1 LYS 20 3HZ LYS 20 -13.323 3.157 5.828 183 HZ2 LYS 20 1HZ LYS 20 -14.313 4.416 5.286 184 HZ3 LYS 20 2HZ LYS 20 -13.788 4.374 6.897 185 H PHE 21 H PHE 21 -11.366 4.957 -1.161 186 HA PHE 21 HA PHE 21 -11.171 7.553 -2.530 187 HB2 PHE 21 2HB PHE 21 -8.707 6.086 -1.490 188 HB3 PHE 21 3HB PHE 21 -8.751 7.655 -2.277 189 HD1 PHE 21 HD1 PHE 21 -9.840 9.623 -1.017 190 HD2 PHE 21 HD2 PHE 21 -8.879 5.903 0.869 191 HE1 PHE 21 HE1 PHE 21 -9.917 10.704 1.198 192 HE2 PHE 21 HE2 PHE 21 -8.967 7.001 3.060 193 HZ PHE 21 HZ PHE 21 -9.466 9.374 3.236 194 HA PRO 22 HA PRO 22 -10.649 4.255 -5.769 195 HB2 PRO 22 2HB PRO 22 -12.256 5.372 -7.656 196 HB3 PRO 22 3HB PRO 22 -12.927 4.426 -6.311 197 HG2 PRO 22 2HG PRO 22 -12.764 7.413 -6.600 198 HG3 PRO 22 3HG PRO 22 -14.118 6.412 -6.027 199 HD2 PRO 22 2HD PRO 22 -12.380 7.712 -4.325 200 HD3 PRO 22 3HD PRO 22 -13.252 6.227 -3.885 201 H GLN 23 H GLN 23 -9.896 7.502 -5.308 202 HA GLN 23 HA GLN 23 -8.705 8.199 -7.825 203 HB2 GLN 23 2HB GLN 23 -7.832 10.168 -6.598 204 HB3 GLN 23 3HB GLN 23 -9.548 9.927 -6.285 205 HG2 GLN 23 2HG GLN 23 -9.019 8.914 -4.100 206 HG3 GLN 23 3HG GLN 23 -7.296 9.115 -4.419 207 HE21 GLN 23 1HE2 GLN 23 -7.005 10.398 -2.604 208 HE22 GLN 23 2HE2 GLN 23 -7.597 12.015 -2.487 209 H VAL 24 H VAL 24 -7.638 6.306 -5.146 210 HA VAL 24 HA VAL 24 -4.777 6.577 -5.877 211 HB VAL 24 HB VAL 24 -4.232 5.585 -3.701 212 HG11 VAL 24 1HG1 VAL 24 -4.526 8.025 -3.771 213 HG12 VAL 24 2HG1 VAL 24 -5.006 7.386 -2.200 214 HG13 VAL 24 3HG1 VAL 24 -6.239 7.854 -3.376 215 HG21 VAL 24 3HG2 VAL 24 -5.972 5.088 -1.997 216 HG22 VAL 24 1HG2 VAL 24 -6.117 4.045 -3.414 217 HG23 VAL 24 2HG2 VAL 24 -7.230 5.396 -3.197 218 H GLU 25 H GLU 25 -3.509 4.642 -6.196 219 HA GLU 25 HA GLU 25 -4.941 2.461 -7.460 220 HB2 GLU 25 2HB GLU 25 -1.952 2.832 -6.979 221 HB3 GLU 25 3HB GLU 25 -2.668 1.552 -7.951 222 HG2 GLU 25 2HG GLU 25 -2.769 4.520 -8.548 223 HG3 GLU 25 3HG GLU 25 -1.760 3.331 -9.358 224 H VAL 26 H VAL 26 -5.953 1.099 -6.083 225 HA VAL 26 HA VAL 26 -4.745 0.333 -3.516 226 HB VAL 26 HB VAL 26 -7.511 -0.374 -4.597 227 HG11 VAL 26 1HG1 VAL 26 -8.073 -0.882 -2.237 228 HG12 VAL 26 2HG1 VAL 26 -6.407 -0.534 -1.766 229 HG13 VAL 26 3HG1 VAL 26 -6.755 -1.906 -2.820 230 HG21 VAL 26 3HG2 VAL 26 -7.288 2.071 -4.413 231 HG22 VAL 26 1HG2 VAL 26 -6.739 1.907 -2.742 232 HG23 VAL 26 2HG2 VAL 26 -8.388 1.451 -3.177 233 H ARG 27 H ARG 27 -3.635 -1.522 -3.351 234 HA ARG 27 HA ARG 27 -3.964 -3.642 -5.410 235 HB2 ARG 27 2HB ARG 27 -1.438 -2.737 -3.954 236 HB3 ARG 27 3HB ARG 27 -1.527 -4.154 -4.996 237 HG2 ARG 27 2HG ARG 27 -1.911 -1.262 -5.841 238 HG3 ARG 27 3HG ARG 27 -0.549 -2.314 -6.238 239 HD2 ARG 27 2HD ARG 27 -1.995 -3.747 -7.580 240 HD3 ARG 27 3HD ARG 27 -3.418 -2.825 -7.094 241 HE ARG 27 HE ARG 27 -1.274 -1.912 -8.889 242 HH11 ARG 27 1HH1 ARG 27 -4.519 -1.458 -7.609 243 HH12 ARG 27 2HH1 ARG 27 -4.940 -0.259 -8.788 244 HH21 ARG 27 1HH2 ARG 27 -1.837 -0.411 -10.455 245 HH22 ARG 27 2HH2 ARG 27 -3.399 0.339 -10.420 246 H LEU 28 H LEU 28 -3.955 -5.760 -4.749 247 HA LEU 28 HA LEU 28 -4.328 -6.282 -1.864 248 HB2 LEU 28 2HB LEU 28 -6.185 -6.915 -3.354 249 HB3 LEU 28 3HB LEU 28 -5.107 -7.917 -4.310 250 HG LEU 28 HG LEU 28 -4.788 -9.425 -2.322 251 HD11 LEU 28 1HD1 LEU 28 -6.900 -7.698 -0.998 252 HD12 LEU 28 2HD1 LEU 28 -5.205 -7.833 -0.521 253 HD13 LEU 28 3HD1 LEU 28 -6.272 -9.227 -0.376 254 HD21 LEU 28 3HD2 LEU 28 -6.456 -9.975 -4.024 255 HD22 LEU 28 1HD2 LEU 28 -7.676 -9.041 -3.155 256 HD23 LEU 28 2HD2 LEU 28 -6.990 -10.497 -2.428 257 H VAL 29 H VAL 29 -3.103 -7.771 -0.794 258 HA VAL 29 HA VAL 29 -1.027 -9.305 -2.230 259 HB VAL 29 HB VAL 29 -0.730 -7.688 0.337 260 HG11 VAL 29 1HG1 VAL 29 1.506 -8.716 0.678 261 HG12 VAL 29 2HG1 VAL 29 1.172 -9.863 -0.620 262 HG13 VAL 29 3HG1 VAL 29 0.211 -9.902 0.859 263 HG21 VAL 29 3HG2 VAL 29 0.919 -7.784 -2.213 264 HG22 VAL 29 1HG2 VAL 29 1.234 -6.741 -0.822 265 HG23 VAL 29 2HG2 VAL 29 -0.236 -6.522 -1.774 266 H THR 30 H THR 30 -1.868 -11.262 -2.192 267 HA THR 30 HA THR 30 -3.202 -12.449 0.091 268 HB THR 30 HB THR 30 -3.219 -14.518 -1.371 269 HG1 THR 30 HG1 THR 30 -2.151 -12.856 -3.427 270 HG21 THR 30 3HG2 THR 30 -4.208 -12.002 -2.766 271 HG22 THR 30 1HG2 THR 30 -5.097 -12.911 -1.542 272 HG23 THR 30 2HG2 THR 30 -4.744 -13.649 -3.107 273 H THR 31 H THR 31 -0.093 -12.552 -1.519 274 HA THR 31 HA THR 31 1.166 -14.121 0.642 275 HB THR 31 HB THR 31 2.440 -15.425 -1.148 276 HG1 THR 31 HG1 THR 31 0.383 -14.378 -2.844 277 HG21 THR 31 3HG2 THR 31 0.671 -17.066 -1.627 278 HG22 THR 31 1HG2 THR 31 -0.569 -15.899 -1.167 279 HG23 THR 31 2HG2 THR 31 0.556 -16.518 0.046 280 H GLU 32 H GLU 32 3.613 -14.070 0.353 281 HA GLU 32 HA GLU 32 4.673 -11.492 0.006 282 HB2 GLU 32 2HB GLU 32 5.792 -13.125 1.405 283 HB3 GLU 32 3HB GLU 32 6.012 -14.226 0.048 284 HG2 GLU 32 2HG GLU 32 7.565 -12.612 -1.004 285 HG3 GLU 32 3HG GLU 32 7.339 -11.511 0.353 286 H GLU 33 H GLU 33 4.462 -14.270 -2.217 287 HA GLU 33 HA GLU 33 5.904 -13.380 -4.434 288 HB2 GLU 33 2HB GLU 33 3.278 -14.936 -4.386 289 HB3 GLU 33 3HB GLU 33 4.342 -14.815 -5.785 290 HG2 GLU 33 2HG GLU 33 6.100 -16.047 -4.589 291 HG3 GLU 33 3HG GLU 33 5.106 -16.095 -3.134 292 H ASP 34 H ASP 34 2.529 -12.762 -3.549 293 HA ASP 34 HA ASP 34 1.779 -11.214 -5.796 294 HB2 ASP 34 2HB ASP 34 0.268 -12.451 -4.136 295 HB3 ASP 34 3HB ASP 34 0.531 -11.124 -3.014 296 H ALA 35 H ALA 35 3.114 -10.426 -2.619 297 HA ALA 35 HA ALA 35 2.925 -7.609 -2.715 298 HB1 ALA 35 3HB ALA 35 4.607 -7.608 -0.922 299 HB2 ALA 35 1HB ALA 35 4.959 -9.313 -1.237 300 HB3 ALA 35 2HB ALA 35 3.374 -8.834 -0.631 301 H LYS 36 H LYS 36 5.469 -9.860 -3.769 302 HA LYS 36 HA LYS 36 7.432 -7.979 -4.542 303 HB2 LYS 36 2HB LYS 36 6.937 -10.849 -5.460 304 HB3 LYS 36 3HB LYS 36 8.387 -9.927 -5.853 305 HG2 LYS 36 2HG LYS 36 9.052 -9.822 -3.529 306 HG3 LYS 36 3HG LYS 36 7.512 -10.489 -3.001 307 HD2 LYS 36 2HD LYS 36 9.044 -12.284 -2.802 308 HD3 LYS 36 3HD LYS 36 8.156 -12.625 -4.284 309 HE2 LYS 36 2HE LYS 36 10.909 -11.341 -4.179 310 HE3 LYS 36 3HE LYS 36 10.615 -13.057 -4.440 311 HZ1 LYS 36 3HZ LYS 36 9.359 -12.444 -6.453 312 HZ2 LYS 36 1HZ LYS 36 10.987 -12.004 -6.523 313 HZ3 LYS 36 2HZ LYS 36 9.812 -10.829 -6.227 314 H GLN 37 H GLN 37 4.746 -9.485 -6.306 315 HA GLN 37 HA GLN 37 5.248 -8.366 -8.855 316 HB2 GLN 37 2HB GLN 37 2.622 -9.245 -7.588 317 HB3 GLN 37 3HB GLN 37 2.816 -8.847 -9.295 318 HG2 GLN 37 2HG GLN 37 4.403 -10.696 -9.574 319 HG3 GLN 37 3HG GLN 37 4.284 -11.082 -7.858 320 HE21 GLN 37 1HE2 GLN 37 2.428 -12.131 -7.099 321 HE22 GLN 37 2HE2 GLN 37 1.272 -12.864 -8.152 322 H VAL 38 H VAL 38 3.402 -7.121 -6.055 323 HA VAL 38 HA VAL 38 2.460 -4.739 -7.250 324 HB VAL 38 HB VAL 38 3.041 -5.299 -4.303 325 HG11 VAL 38 1HG1 VAL 38 1.360 -3.080 -5.530 326 HG12 VAL 38 2HG1 VAL 38 2.897 -2.875 -4.686 327 HG13 VAL 38 3HG1 VAL 38 1.476 -3.441 -3.806 328 HG21 VAL 38 3HG2 VAL 38 0.425 -5.503 -5.846 329 HG22 VAL 38 1HG2 VAL 38 0.621 -5.774 -4.112 330 HG23 VAL 38 2HG2 VAL 38 1.386 -6.863 -5.269 331 H ILE 39 H ILE 39 5.497 -5.476 -5.525 332 HA ILE 39 HA ILE 39 6.582 -2.922 -5.202 333 HB ILE 39 HB ILE 39 7.978 -5.595 -5.651 334 HG12 ILE 39 2HG1 ILE 39 7.509 -4.025 -3.077 335 HG13 ILE 39 3HG1 ILE 39 6.575 -5.420 -3.595 336 HG21 ILE 39 1HG2 ILE 39 9.278 -3.015 -4.708 337 HG22 ILE 39 2HG2 ILE 39 9.563 -3.816 -6.254 338 HG23 ILE 39 3HG2 ILE 39 10.050 -4.603 -4.754 339 HD11 ILE 39 3HD1 ILE 39 8.581 -6.820 -3.429 340 HD12 ILE 39 1HD1 ILE 39 8.173 -6.041 -1.902 341 HD13 ILE 39 2HD1 ILE 39 9.505 -5.421 -2.876 342 H LYS 40 H LYS 40 6.768 -5.113 -8.002 343 HA LYS 40 HA LYS 40 8.491 -3.700 -9.697 344 HB2 LYS 40 2HB LYS 40 6.031 -5.325 -10.475 345 HB3 LYS 40 3HB LYS 40 7.319 -4.853 -11.579 346 HG2 LYS 40 2HG LYS 40 8.910 -6.258 -10.302 347 HG3 LYS 40 3HG LYS 40 7.596 -6.747 -9.220 348 HD2 LYS 40 2HD LYS 40 6.383 -7.746 -11.139 349 HD3 LYS 40 3HD LYS 40 7.673 -7.236 -12.232 350 HE2 LYS 40 2HE LYS 40 9.253 -8.701 -11.002 351 HE3 LYS 40 3HE LYS 40 7.924 -9.239 -9.969 352 HZ1 LYS 40 3HZ LYS 40 6.818 -10.126 -11.927 353 HZ2 LYS 40 1HZ LYS 40 8.357 -10.802 -11.758 354 HZ3 LYS 40 2HZ LYS 40 8.082 -9.603 -12.916 355 H GLU 41 H GLU 41 4.972 -3.513 -9.307 356 HA GLU 41 HA GLU 41 4.481 -1.697 -11.428 357 HB2 GLU 41 2HB GLU 41 2.824 -3.348 -10.619 358 HB3 GLU 41 3HB GLU 41 2.709 -2.490 -9.085 359 HG2 GLU 41 2HG GLU 41 1.732 -0.559 -10.173 360 HG3 GLU 41 3HG GLU 41 2.023 -1.250 -11.763 361 H ILE 42 H ILE 42 4.861 -1.294 -7.926 362 HA ILE 42 HA ILE 42 4.214 1.386 -7.584 363 HB ILE 42 HB ILE 42 6.335 -0.311 -6.186 364 HG12 ILE 42 2HG1 ILE 42 3.552 0.522 -5.228 365 HG13 ILE 42 3HG1 ILE 42 3.924 -1.041 -5.941 366 HG21 ILE 42 1HG2 ILE 42 5.302 2.414 -5.330 367 HG22 ILE 42 2HG2 ILE 42 6.936 2.052 -5.890 368 HG23 ILE 42 3HG2 ILE 42 6.355 1.373 -4.369 369 HD11 ILE 42 3HD1 ILE 42 5.453 -1.508 -4.061 370 HD12 ILE 42 1HD1 ILE 42 3.791 -1.226 -3.546 371 HD13 ILE 42 2HD1 ILE 42 5.002 0.037 -3.334 372 H GLN 43 H GLN 43 7.309 -0.056 -8.589 373 HA GLN 43 HA GLN 43 8.773 2.379 -8.801 374 HB2 GLN 43 2HB GLN 43 9.299 -0.289 -10.169 375 HB3 GLN 43 3HB GLN 43 10.465 1.020 -9.985 376 HG2 GLN 43 2HG GLN 43 10.463 0.731 -7.563 377 HG3 GLN 43 3HG GLN 43 9.196 -0.490 -7.685 378 HE21 GLN 43 1HE2 GLN 43 10.404 -2.102 -6.732 379 HE22 GLN 43 2HE2 GLN 43 11.782 -2.827 -7.478 380 H LYS 44 H LYS 44 6.950 0.395 -11.122 381 HA LYS 44 HA LYS 44 7.794 1.751 -13.469 382 HB2 LYS 44 2HB LYS 44 6.850 -0.607 -13.324 383 HB3 LYS 44 3HB LYS 44 5.249 0.104 -13.151 384 HG2 LYS 44 2HG LYS 44 5.670 -0.634 -15.461 385 HG3 LYS 44 3HG LYS 44 5.437 1.116 -15.392 386 HD2 LYS 44 2HD LYS 44 7.884 1.456 -15.523 387 HD3 LYS 44 3HD LYS 44 8.141 -0.291 -15.526 388 HE2 LYS 44 2HE LYS 44 8.344 0.603 -17.791 389 HE3 LYS 44 3HE LYS 44 6.931 -0.446 -17.688 390 HZ1 LYS 44 3HZ LYS 44 6.876 2.523 -17.570 391 HZ2 LYS 44 1HZ LYS 44 5.528 1.504 -17.538 392 HZ3 LYS 44 2HZ LYS 44 6.491 1.591 -18.923 393 H LYS 45 H LYS 45 5.009 2.187 -11.351 394 HA LYS 45 HA LYS 45 3.690 4.194 -12.925 395 HB2 LYS 45 2HB LYS 45 3.374 3.042 -10.160 396 HB3 LYS 45 3HB LYS 45 2.617 4.587 -10.486 397 HG2 LYS 45 2HG LYS 45 1.066 2.699 -10.674 398 HG3 LYS 45 3HG LYS 45 1.184 3.627 -12.157 399 HD2 LYS 45 2HD LYS 45 2.857 1.132 -11.896 400 HD3 LYS 45 3HD LYS 45 1.124 0.954 -12.152 401 HE2 LYS 45 2HE LYS 45 3.019 2.477 -13.968 402 HE3 LYS 45 3HE LYS 45 2.371 0.866 -14.275 403 HZ1 LYS 45 3HZ LYS 45 1.177 2.689 -15.433 404 HZ2 LYS 45 1HZ LYS 45 0.674 3.282 -13.933 405 HZ3 LYS 45 2HZ LYS 45 0.182 1.752 -14.446 406 H GLY 46 H GLY 46 6.347 4.192 -10.696 407 HA2 GLY 46 2HA GLY 46 7.827 5.870 -10.120 408 HA3 GLY 46 3HA GLY 46 6.875 7.010 -11.065 409 H VAL 47 H VAL 47 6.028 4.925 -8.326 410 HA VAL 47 HA VAL 47 4.536 7.060 -7.039 411 HB VAL 47 HB VAL 47 4.995 4.200 -6.072 412 HG11 VAL 47 1HG1 VAL 47 2.936 4.521 -4.753 413 HG12 VAL 47 2HG1 VAL 47 2.818 6.187 -5.324 414 HG13 VAL 47 3HG1 VAL 47 4.169 5.702 -4.295 415 HG21 VAL 47 3HG2 VAL 47 4.001 4.201 -8.329 416 HG22 VAL 47 1HG2 VAL 47 2.703 5.253 -7.760 417 HG23 VAL 47 2HG2 VAL 47 2.861 3.618 -7.119 418 H GLN 48 H GLN 48 5.025 7.930 -5.050 419 HA GLN 48 HA GLN 48 7.847 7.766 -4.175 420 HB2 GLN 48 2HB GLN 48 5.737 9.890 -3.588 421 HB3 GLN 48 3HB GLN 48 7.444 9.979 -3.154 422 HG2 GLN 48 2HG GLN 48 8.072 10.096 -5.505 423 HG3 GLN 48 3HG GLN 48 6.389 9.883 -5.995 424 HE21 GLN 48 1HE2 GLN 48 4.924 11.596 -5.656 425 HE22 GLN 48 2HE2 GLN 48 5.462 13.214 -5.394 426 H LYS 49 H LYS 49 4.525 7.943 -2.978 427 HA LYS 49 HA LYS 49 5.340 6.974 -0.299 428 HB2 LYS 49 2HB LYS 49 2.980 8.768 -1.052 429 HB3 LYS 49 3HB LYS 49 3.495 8.339 0.581 430 HG2 LYS 49 2HG LYS 49 5.508 9.650 0.400 431 HG3 LYS 49 3HG LYS 49 5.301 9.851 -1.340 432 HD2 LYS 49 2HD LYS 49 4.735 11.933 -0.301 433 HD3 LYS 49 3HD LYS 49 3.235 11.203 -0.870 434 HE2 LYS 49 2HE LYS 49 2.791 12.090 1.303 435 HE3 LYS 49 3HE LYS 49 2.890 10.342 1.499 436 HZ1 LYS 49 3HZ LYS 49 4.079 11.502 3.242 437 HZ2 LYS 49 1HZ LYS 49 5.055 12.284 2.105 438 HZ3 LYS 49 2HZ LYS 49 5.164 10.610 2.297 439 H VAL 50 H VAL 50 4.605 4.980 0.128 440 HA VAL 50 HA VAL 50 2.119 3.961 -1.141 441 HB VAL 50 HB VAL 50 4.648 2.403 -0.381 442 HG11 VAL 50 1HG1 VAL 50 2.079 1.343 -1.620 443 HG12 VAL 50 2HG1 VAL 50 2.643 1.019 0.022 444 HG13 VAL 50 3HG1 VAL 50 3.559 0.414 -1.360 445 HG21 VAL 50 3HG2 VAL 50 4.886 1.977 -2.799 446 HG22 VAL 50 1HG2 VAL 50 4.933 3.708 -2.445 447 HG23 VAL 50 2HG2 VAL 50 3.471 2.983 -3.119 448 H VAL 51 H VAL 51 0.581 3.307 0.274 449 HA VAL 51 HA VAL 51 1.173 3.120 3.149 450 HB VAL 51 HB VAL 51 -1.510 2.911 1.696 451 HG11 VAL 51 1HG1 VAL 51 -1.531 1.732 3.852 452 HG12 VAL 51 2HG1 VAL 51 -2.524 3.188 3.929 453 HG13 VAL 51 3HG1 VAL 51 -0.918 3.177 4.663 454 HG21 VAL 51 3HG2 VAL 51 -0.568 5.172 1.476 455 HG22 VAL 51 1HG2 VAL 51 -0.363 5.266 3.227 456 HG23 VAL 51 2HG2 VAL 51 -1.983 5.173 2.529 457 H LEU 52 H LEU 52 1.481 1.154 4.070 458 HA LEU 52 HA LEU 52 0.548 -1.296 2.685 459 HB2 LEU 52 2HB LEU 52 2.857 -0.847 4.613 460 HB3 LEU 52 3HB LEU 52 2.290 -2.441 4.156 461 HG LEU 52 HG LEU 52 3.547 -0.390 2.285 462 HD11 LEU 52 1HD1 LEU 52 5.154 -1.502 3.786 463 HD12 LEU 52 2HD1 LEU 52 5.392 -1.960 2.107 464 HD13 LEU 52 3HD1 LEU 52 4.597 -3.079 3.219 465 HD21 LEU 52 3HD2 LEU 52 2.522 -3.166 1.654 466 HD22 LEU 52 1HD2 LEU 52 3.480 -2.153 0.566 467 HD23 LEU 52 2HD2 LEU 52 1.874 -1.634 1.064 468 H VAL 53 H VAL 53 -1.490 -1.454 3.505 469 HA VAL 53 HA VAL 53 -2.105 -1.031 6.301 470 HB VAL 53 HB VAL 53 -3.983 -1.951 4.078 471 HG11 VAL 53 1HG1 VAL 53 -4.619 -0.818 6.829 472 HG12 VAL 53 2HG1 VAL 53 -4.863 -2.489 6.315 473 HG13 VAL 53 3HG1 VAL 53 -5.807 -1.193 5.577 474 HG21 VAL 53 3HG2 VAL 53 -3.053 0.261 3.541 475 HG22 VAL 53 1HG2 VAL 53 -3.545 0.863 5.126 476 HG23 VAL 53 2HG2 VAL 53 -4.767 0.381 3.946 477 H GLY 54 H GLY 54 -1.806 -2.587 7.737 478 HA2 GLY 54 2HA GLY 54 -2.146 -4.520 8.895 479 HA3 GLY 54 3HA GLY 54 -3.170 -5.073 7.580 480 H VAL 55 H VAL 55 0.248 -4.176 7.296 481 HA VAL 55 HA VAL 55 0.834 -6.890 6.286 482 HB VAL 55 HB VAL 55 2.872 -5.945 5.317 483 HG11 VAL 55 1HG1 VAL 55 0.452 -4.222 4.661 484 HG12 VAL 55 2HG1 VAL 55 0.839 -5.795 3.963 485 HG13 VAL 55 3HG1 VAL 55 1.886 -4.412 3.645 486 HG21 VAL 55 3HG2 VAL 55 2.077 -3.291 6.584 487 HG22 VAL 55 1HG2 VAL 55 3.417 -3.530 5.457 488 HG23 VAL 55 2HG2 VAL 55 3.452 -4.297 7.044 489 H SER 56 H SER 56 2.956 -7.794 6.839 490 HA SER 56 HA SER 56 3.605 -7.655 9.663 491 HB2 SER 56 2HB SER 56 5.260 -9.446 9.075 492 HB3 SER 56 3HB SER 56 3.626 -9.838 8.545 493 HG SER 56 HG SER 56 4.777 -10.245 6.779 494 H GLU 57 H GLU 57 5.969 -7.450 10.302 495 HA GLU 57 HA GLU 57 7.150 -5.029 9.464 496 HB2 GLU 57 2HB GLU 57 7.536 -6.017 11.703 497 HB3 GLU 57 3HB GLU 57 8.405 -7.365 10.976 498 HG2 GLU 57 2HG GLU 57 10.126 -5.754 10.140 499 HG3 GLU 57 3HG GLU 57 9.270 -4.451 10.962 500 H LYS 58 H LYS 58 7.578 -8.362 8.484 501 HA LYS 58 HA LYS 58 9.858 -8.230 6.878 502 HB2 LYS 58 2HB LYS 58 8.764 -10.355 7.532 503 HB3 LYS 58 3HB LYS 58 7.365 -9.958 6.549 504 HG2 LYS 58 2HG LYS 58 8.572 -11.568 5.311 505 HG3 LYS 58 3HG LYS 58 8.907 -10.037 4.513 506 HD2 LYS 58 2HD LYS 58 10.820 -11.225 6.556 507 HD3 LYS 58 3HD LYS 58 10.864 -11.709 4.866 508 HE2 LYS 58 2HE LYS 58 11.354 -9.400 4.194 509 HE3 LYS 58 3HE LYS 58 11.255 -8.876 5.876 510 HZ1 LYS 58 3HZ LYS 58 13.236 -10.773 4.744 511 HZ2 LYS 58 1HZ LYS 58 13.112 -10.360 6.379 512 HZ3 LYS 58 2HZ LYS 58 13.534 -9.185 5.244 513 H LEU 59 H LEU 59 6.417 -7.967 5.854 514 HA LEU 59 HA LEU 59 6.932 -7.411 3.130 515 HB2 LEU 59 2HB LEU 59 4.473 -6.807 4.826 516 HB3 LEU 59 3HB LEU 59 4.512 -6.715 3.073 517 HG LEU 59 HG LEU 59 4.900 -9.259 4.706 518 HD11 LEU 59 1HD1 LEU 59 2.688 -9.937 3.880 519 HD12 LEU 59 2HD1 LEU 59 2.500 -8.382 3.066 520 HD13 LEU 59 3HD1 LEU 59 2.588 -8.452 4.827 521 HD21 LEU 59 3HD2 LEU 59 6.157 -9.372 2.613 522 HD22 LEU 59 1HD2 LEU 59 4.716 -8.923 1.694 523 HD23 LEU 59 2HD2 LEU 59 4.772 -10.459 2.563 524 H LEU 60 H LEU 60 6.468 -5.335 5.949 525 HA LEU 60 HA LEU 60 6.249 -2.803 4.828 526 HB2 LEU 60 2HB LEU 60 5.948 -3.408 7.219 527 HB3 LEU 60 3HB LEU 60 7.679 -3.604 7.392 528 HG LEU 60 HG LEU 60 6.401 -0.914 6.702 529 HD11 LEU 60 1HD1 LEU 60 6.547 -0.338 9.074 530 HD12 LEU 60 2HD1 LEU 60 7.095 -1.971 9.458 531 HD13 LEU 60 3HD1 LEU 60 5.470 -1.708 8.821 532 HD21 LEU 60 3HD2 LEU 60 8.837 -1.016 6.258 533 HD22 LEU 60 1HD2 LEU 60 9.125 -1.548 7.915 534 HD23 LEU 60 2HD2 LEU 60 8.482 0.068 7.599 535 H GLN 61 H GLN 61 9.180 -4.510 5.871 536 HA GLN 61 HA GLN 61 10.983 -2.500 4.998 537 HB2 GLN 61 2HB GLN 61 11.442 -5.381 5.853 538 HB3 GLN 61 3HB GLN 61 12.752 -4.250 5.503 539 HG2 GLN 61 2HG GLN 61 11.879 -2.740 7.290 540 HG3 GLN 61 3HG GLN 61 10.646 -3.943 7.664 541 HE21 GLN 61 1HE2 GLN 61 11.449 -4.010 9.801 542 HE22 GLN 61 2HE2 GLN 61 12.899 -4.856 10.199 543 H LYS 62 H LYS 62 9.693 -5.393 3.430 544 HA LYS 62 HA LYS 62 11.583 -5.634 1.355 545 HB2 LYS 62 2HB LYS 62 8.681 -6.508 1.580 546 HB3 LYS 62 3HB LYS 62 9.661 -6.853 0.166 547 HG2 LYS 62 2HG LYS 62 11.265 -8.115 1.599 548 HG3 LYS 62 3HG LYS 62 10.215 -7.812 2.988 549 HD2 LYS 62 2HD LYS 62 9.820 -10.064 2.069 550 HD3 LYS 62 3HD LYS 62 8.383 -9.050 1.889 551 HE2 LYS 62 2HE LYS 62 8.827 -10.398 -0.142 552 HE3 LYS 62 3HE LYS 62 8.926 -8.673 -0.487 553 HZ1 LYS 62 3HZ LYS 62 10.727 -10.006 -1.492 554 HZ2 LYS 62 1HZ LYS 62 11.272 -10.416 0.053 555 HZ3 LYS 62 2HZ LYS 62 11.308 -8.803 -0.457 556 H ILE 63 H ILE 63 8.359 -4.000 1.369 557 HA ILE 63 HA ILE 63 8.506 -3.158 -1.331 558 HB ILE 63 HB ILE 63 6.751 -2.331 0.991 559 HG12 ILE 63 2HG1 ILE 63 4.901 -3.174 -0.498 560 HG13 ILE 63 3HG1 ILE 63 6.089 -3.563 -1.730 561 HG21 ILE 63 1HG2 ILE 63 7.078 -0.216 -0.191 562 HG22 ILE 63 2HG2 ILE 63 5.443 -0.812 -0.483 563 HG23 ILE 63 3HG2 ILE 63 6.682 -0.986 -1.729 564 HD11 ILE 63 3HD1 ILE 63 5.375 -5.548 -0.591 565 HD12 ILE 63 1HD1 ILE 63 5.803 -4.856 0.974 566 HD13 ILE 63 2HD1 ILE 63 7.066 -5.235 -0.199 567 H LYS 64 H LYS 64 9.585 -1.509 1.687 568 HA LYS 64 HA LYS 64 10.133 0.980 0.346 569 HB2 LYS 64 2HB LYS 64 11.178 1.731 2.448 570 HB3 LYS 64 3HB LYS 64 9.603 1.022 2.709 571 HG2 LYS 64 2HG LYS 64 10.722 0.110 4.482 572 HG3 LYS 64 3HG LYS 64 11.002 -1.149 3.279 573 HD2 LYS 64 2HD LYS 64 13.247 -0.194 2.805 574 HD3 LYS 64 3HD LYS 64 12.958 1.080 3.997 575 HE2 LYS 64 2HE LYS 64 12.759 -0.657 5.757 576 HE3 LYS 64 3HE LYS 64 13.118 -1.895 4.553 577 HZ1 LYS 64 3HZ LYS 64 15.277 -0.841 4.199 578 HZ2 LYS 64 1HZ LYS 64 15.076 -1.321 5.808 579 HZ3 LYS 64 2HZ LYS 64 14.924 0.309 5.386 580 H GLN 65 H GLN 65 12.132 -1.885 1.055 581 HA GLN 65 HA GLN 65 14.602 -0.501 0.362 582 HB2 GLN 65 2HB GLN 65 15.765 -2.550 0.843 583 HB3 GLN 65 3HB GLN 65 14.551 -2.304 2.091 584 HG2 GLN 65 2HG GLN 65 13.088 -3.959 0.945 585 HG3 GLN 65 3HG GLN 65 14.366 -4.246 -0.230 586 HE21 GLN 65 1HE2 GLN 65 14.885 -3.799 3.270 587 HE22 GLN 65 2HE2 GLN 65 15.429 -5.414 3.548 588 H GLU 66 H GLU 66 12.339 -2.670 -1.261 589 HA GLU 66 HA GLU 66 14.130 -3.083 -3.534 590 HB2 GLU 66 2HB GLU 66 11.336 -4.164 -3.003 591 HB3 GLU 66 3HB GLU 66 12.355 -4.612 -4.373 592 HG2 GLU 66 2HG GLU 66 14.063 -5.493 -2.769 593 HG3 GLU 66 3HG GLU 66 12.962 -5.121 -1.443 594 H ALA 67 H ALA 67 10.930 -1.539 -2.932 595 HA ALA 67 HA ALA 67 10.815 -0.488 -5.639 596 HB1 ALA 67 3HB ALA 67 8.750 -1.170 -4.495 597 HB2 ALA 67 1HB ALA 67 8.699 0.522 -4.988 598 HB3 ALA 67 2HB ALA 67 8.984 0.103 -3.296 599 H ASN 68 H ASN 68 12.127 0.537 -2.638 600 HA ASN 68 HA ASN 68 13.384 2.294 -1.990 601 HB2 ASN 68 2HB ASN 68 14.478 1.967 -4.250 602 HB3 ASN 68 3HB ASN 68 13.390 3.180 -4.915 603 HD21 ASN 68 1HD2 ASN 68 15.009 4.625 -5.489 604 HD22 ASN 68 2HD2 ASN 68 15.987 5.466 -4.342 605 H VAL 69 H VAL 69 10.912 2.554 -1.284 606 HA VAL 69 HA VAL 69 9.984 5.288 -1.957 607 HB VAL 69 HB VAL 69 7.614 4.483 -1.911 608 HG11 VAL 69 1HG1 VAL 69 8.740 4.828 -4.068 609 HG12 VAL 69 2HG1 VAL 69 7.578 3.506 -4.163 610 HG13 VAL 69 3HG1 VAL 69 9.304 3.154 -4.059 611 HG21 VAL 69 3HG2 VAL 69 8.827 1.687 -1.905 612 HG22 VAL 69 1HG2 VAL 69 7.116 2.062 -2.140 613 HG23 VAL 69 2HG2 VAL 69 7.894 2.421 -0.598 614 H GLN 70 H GLN 70 8.435 6.165 -0.409 615 HA GLN 70 HA GLN 70 9.200 5.675 2.347 616 HB2 GLN 70 2HB GLN 70 7.232 7.683 1.149 617 HB3 GLN 70 3HB GLN 70 7.819 7.692 2.809 618 HG2 GLN 70 2HG GLN 70 9.543 8.096 0.346 619 HG3 GLN 70 3HG GLN 70 8.930 9.386 1.373 620 HE21 GLN 70 1HE2 GLN 70 11.714 8.649 0.721 621 HE22 GLN 70 2HE2 GLN 70 12.494 8.350 2.236 622 H VAL 71 H VAL 71 8.172 4.117 3.455 623 HA VAL 71 HA VAL 71 5.474 3.226 2.673 624 HB VAL 71 HB VAL 71 7.727 1.920 4.237 625 HG11 VAL 71 1HG1 VAL 71 6.272 -0.046 4.674 626 HG12 VAL 71 2HG1 VAL 71 4.882 0.863 4.074 627 HG13 VAL 71 3HG1 VAL 71 5.712 1.389 5.539 628 HG21 VAL 71 3HG2 VAL 71 7.541 0.184 2.503 629 HG22 VAL 71 1HG2 VAL 71 7.767 1.777 1.766 630 HG23 VAL 71 2HG2 VAL 71 6.166 1.031 1.787 631 H TYR 72 H TYR 72 3.755 3.321 3.967 632 HA TYR 72 HA TYR 72 3.996 4.367 6.732 633 HB2 TYR 72 2HB TYR 72 1.881 5.043 4.620 634 HB3 TYR 72 3HB TYR 72 1.832 5.578 6.298 635 HD1 TYR 72 HD1 TYR 72 3.477 7.252 7.135 636 HD2 TYR 72 HD2 TYR 72 3.382 6.151 3.000 637 HE1 TYR 72 HE1 TYR 72 4.847 9.211 6.579 638 HE2 TYR 72 HE2 TYR 72 4.753 8.115 2.446 639 HH TYR 72 HH TYR 72 6.421 9.909 4.768 640 H ARG 73 H ARG 73 3.638 2.523 7.902 641 HA ARG 73 HA ARG 73 1.842 0.436 6.980 642 HB2 ARG 73 2HB ARG 73 3.932 -0.188 8.166 643 HB3 ARG 73 3HB ARG 73 3.354 0.628 9.618 644 HG2 ARG 73 2HG ARG 73 1.373 -0.969 9.623 645 HG3 ARG 73 3HG ARG 73 2.155 -1.840 8.305 646 HD2 ARG 73 2HD ARG 73 4.059 -2.356 9.760 647 HD3 ARG 73 3HD ARG 73 3.331 -1.425 11.073 648 HE ARG 73 HE ARG 73 2.597 -4.086 10.157 649 HH11 ARG 73 1HH1 ARG 73 1.599 -1.330 12.134 650 HH12 ARG 73 2HH1 ARG 73 0.483 -2.271 13.070 651 HH21 ARG 73 1HH2 ARG 73 1.129 -5.278 11.395 652 HH22 ARG 73 2HH2 ARG 73 0.219 -4.497 12.651 653 H VAL 74 H VAL 74 -0.239 0.711 7.195 654 HA VAL 74 HA VAL 74 -1.401 2.179 9.494 655 HB VAL 74 HB VAL 74 -2.287 1.826 6.602 656 HG11 VAL 74 1HG1 VAL 74 -4.368 3.008 7.097 657 HG12 VAL 74 2HG1 VAL 74 -3.981 3.013 8.816 658 HG13 VAL 74 3HG1 VAL 74 -4.292 1.487 7.986 659 HG21 VAL 74 3HG2 VAL 74 -0.689 3.656 7.027 660 HG22 VAL 74 1HG2 VAL 74 -1.762 4.326 8.262 661 HG23 VAL 74 2HG2 VAL 74 -2.267 4.302 6.571 662 H THR 75 H THR 75 -2.944 1.163 10.745 663 HA THR 75 HA THR 75 -4.165 -1.378 9.822 664 HB THR 75 HB THR 75 -4.070 -2.162 12.259 665 HG1 THR 75 HG1 THR 75 -2.610 -1.134 13.618 666 HG21 THR 75 3HG2 THR 75 -2.509 -3.130 10.595 667 HG22 THR 75 1HG2 THR 75 -1.744 -2.975 12.176 668 HG23 THR 75 2HG2 THR 75 -1.367 -1.817 10.900 669 H SER 76 H SER 76 -4.858 1.676 10.310 670 HA SER 76 HA SER 76 -7.516 1.270 11.531 671 HB2 SER 76 2HB SER 76 -6.071 2.054 13.369 672 HB3 SER 76 3HB SER 76 -5.485 3.393 12.384 673 HG SER 76 HG SER 76 -7.129 4.014 13.863 674 H ASN 77 H ASN 77 -9.112 2.692 10.687 675 HA ASN 77 HA ASN 77 -8.743 3.704 8.082 676 HB2 ASN 77 2HB ASN 77 -10.955 4.336 10.088 677 HB3 ASN 77 3HB ASN 77 -10.986 4.845 8.402 678 HD21 ASN 77 1HD2 ASN 77 -12.865 3.160 9.805 679 HD22 ASN 77 2HD2 ASN 77 -12.907 1.653 8.962 680 H ASP 78 H ASP 78 -8.708 5.308 11.254 681 HA ASP 78 HA ASP 78 -8.542 7.982 10.468 682 HB2 ASP 78 2HB ASP 78 -7.355 6.552 12.884 683 HB3 ASP 78 3HB ASP 78 -7.233 8.294 12.676 684 H GLU 79 H GLU 79 -5.894 5.642 11.019 685 HA GLU 79 HA GLU 79 -3.754 7.399 10.449 686 HB2 GLU 79 2HB GLU 79 -3.830 4.353 10.265 687 HB3 GLU 79 3HB GLU 79 -2.371 5.337 10.326 688 HG2 GLU 79 2HG GLU 79 -4.431 4.999 12.522 689 HG3 GLU 79 3HG GLU 79 -2.789 4.366 12.511 690 H LEU 80 H LEU 80 -5.667 5.228 8.439 691 HA LEU 80 HA LEU 80 -4.181 5.275 6.055 692 HB2 LEU 80 2HB LEU 80 -5.995 3.660 6.608 693 HB3 LEU 80 3HB LEU 80 -7.184 4.931 6.485 694 HG LEU 80 HG LEU 80 -6.926 3.199 4.534 695 HD11 LEU 80 1HD1 LEU 80 -7.111 6.118 3.846 696 HD12 LEU 80 2HD1 LEU 80 -8.431 5.073 4.376 697 HD13 LEU 80 3HD1 LEU 80 -7.630 4.764 2.838 698 HD21 LEU 80 3HD2 LEU 80 -4.484 3.412 4.258 699 HD22 LEU 80 1HD2 LEU 80 -4.695 5.085 3.734 700 HD23 LEU 80 2HD2 LEU 80 -5.354 3.762 2.767 701 H GLU 81 H GLU 81 -7.057 7.141 7.005 702 HA GLU 81 HA GLU 81 -7.234 8.780 4.736 703 HB2 GLU 81 2HB GLU 81 -8.297 9.170 7.566 704 HB3 GLU 81 3HB GLU 81 -8.779 10.160 6.188 705 HG2 GLU 81 2HG GLU 81 -9.840 8.282 5.097 706 HG3 GLU 81 3HG GLU 81 -9.151 7.144 6.253 707 H GLN 82 H GLN 82 -5.458 9.200 7.794 708 HA GLN 82 HA GLN 82 -4.719 11.911 7.508 709 HB2 GLN 82 2HB GLN 82 -3.363 9.615 8.980 710 HB3 GLN 82 3HB GLN 82 -2.744 11.260 9.036 711 HG2 GLN 82 2HG GLN 82 -5.501 10.423 9.976 712 HG3 GLN 82 3HG GLN 82 -4.104 10.634 11.024 713 HE21 GLN 82 1HE2 GLN 82 -6.493 12.273 9.070 714 HE22 GLN 82 2HE2 GLN 82 -6.211 13.855 9.704 715 H VAL 83 H VAL 83 -2.989 8.912 6.531 716 HA VAL 83 HA VAL 83 -0.767 10.237 5.350 717 HB VAL 83 HB VAL 83 -1.836 7.447 4.736 718 HG11 VAL 83 1HG1 VAL 83 0.914 8.625 4.149 719 HG12 VAL 83 2HG1 VAL 83 -0.315 8.218 2.949 720 HG13 VAL 83 3HG1 VAL 83 0.443 6.941 3.902 721 HG21 VAL 83 3HG2 VAL 83 -1.278 7.733 7.125 722 HG22 VAL 83 1HG2 VAL 83 0.334 8.308 6.693 723 HG23 VAL 83 2HG2 VAL 83 -0.135 6.643 6.342 724 H VAL 84 H VAL 84 -3.937 9.272 4.020 725 HA VAL 84 HA VAL 84 -3.340 9.783 1.280 726 HB VAL 84 HB VAL 84 -6.096 9.883 2.592 727 HG11 VAL 84 1HG1 VAL 84 -5.321 9.444 -0.323 728 HG12 VAL 84 2HG1 VAL 84 -6.098 10.882 0.339 729 HG13 VAL 84 3HG1 VAL 84 -6.960 9.344 0.326 730 HG21 VAL 84 3HG2 VAL 84 -6.351 7.526 1.957 731 HG22 VAL 84 1HG2 VAL 84 -4.959 7.721 3.019 732 HG23 VAL 84 2HG2 VAL 84 -4.718 7.507 1.290 733 H LYS 85 H LYS 85 -4.543 11.831 3.905 734 HA LYS 85 HA LYS 85 -5.055 14.207 2.416 735 HB2 LYS 85 2HB LYS 85 -4.331 13.795 5.348 736 HB3 LYS 85 3HB LYS 85 -4.803 15.352 4.676 737 HG2 LYS 85 2HG LYS 85 -7.039 14.543 4.184 738 HG3 LYS 85 3HG LYS 85 -6.585 12.895 4.617 739 HD2 LYS 85 2HD LYS 85 -7.874 13.871 6.435 740 HD3 LYS 85 3HD LYS 85 -6.209 13.633 6.968 741 HE2 LYS 85 2HE LYS 85 -7.041 15.783 7.762 742 HE3 LYS 85 3HE LYS 85 -5.771 16.058 6.572 743 HZ1 LYS 85 3HZ LYS 85 -8.689 16.180 6.005 744 HZ2 LYS 85 1HZ LYS 85 -7.444 16.542 4.921 745 HZ3 LYS 85 2HZ LYS 85 -7.701 17.523 6.273 746 H ASP 86 H ASP 86 -2.186 12.826 3.898 747 HA ASP 86 HA ASP 86 -0.495 15.124 3.807 748 HB2 ASP 86 2HB ASP 86 -0.145 13.325 5.441 749 HB3 ASP 86 3HB ASP 86 0.120 12.158 4.151 750 H VAL 87 H VAL 87 -0.776 12.220 1.753 751 HA VAL 87 HA VAL 87 1.302 12.985 -0.080 752 HB VAL 87 HB VAL 87 0.805 10.624 0.270 753 HG11 VAL 87 1HG1 VAL 87 -1.256 9.560 -0.509 754 HG12 VAL 87 2HG1 VAL 87 -1.907 11.134 -0.950 755 HG13 VAL 87 3HG1 VAL 87 -1.581 10.764 0.737 756 HG21 VAL 87 3HG2 VAL 87 1.747 11.203 -1.931 757 HG22 VAL 87 1HG2 VAL 87 0.120 11.385 -2.593 758 HG23 VAL 87 2HG2 VAL 87 0.682 9.800 -2.051 759 H LYS 88 H LYS 88 -2.176 13.549 0.068 760 HA LYS 88 HA LYS 88 -2.137 14.943 -2.540 761 HB2 LYS 88 2HB LYS 88 -4.379 13.972 -0.741 762 HB3 LYS 88 3HB LYS 88 -4.696 15.255 -1.896 763 HG2 LYS 88 2HG LYS 88 -5.402 13.183 -2.870 764 HG3 LYS 88 3HG LYS 88 -3.964 13.725 -3.741 765 HD2 LYS 88 2HD LYS 88 -2.594 12.139 -2.395 766 HD3 LYS 88 3HD LYS 88 -4.060 11.589 -1.578 767 HE2 LYS 88 2HE LYS 88 -3.427 10.018 -3.331 768 HE3 LYS 88 3HE LYS 88 -4.955 10.795 -3.744 769 HZ1 LYS 88 3HZ LYS 88 -3.724 12.291 -5.235 770 HZ2 LYS 88 1HZ LYS 88 -3.522 10.669 -5.662 771 HZ3 LYS 88 2HZ LYS 88 -2.282 11.491 -4.863 772 H GLY 89 H GLY 89 -0.758 15.914 -0.038 773 HA2 GLY 89 2HA GLY 89 -1.374 18.710 -0.385 774 HA3 GLY 89 3HA GLY 89 -1.864 18.110 1.201 775 H SER 90 H SER 90 0.904 17.291 -0.855 776 HA SER 90 HA SER 90 2.650 17.169 1.444 777 HB2 SER 90 2HB SER 90 4.285 16.292 -0.320 778 HB3 SER 90 3HB SER 90 2.801 15.361 -0.124 779 HG SER 90 HG SER 90 3.468 15.857 -2.346 780 H GLY 91 H GLY 91 2.962 19.307 2.125 781 HA2 GLY 91 2HA GLY 91 4.178 21.257 0.245 782 HA3 GLY 91 3HA GLY 91 3.427 21.629 1.786 783 H LEU 92 H LEU 92 6.147 19.775 0.442 784 HA LEU 92 HA LEU 92 7.711 19.820 2.854 785 HB2 LEU 92 2HB LEU 92 8.464 19.128 -0.017 786 HB3 LEU 92 3HB LEU 92 9.592 19.023 1.320 787 HG LEU 92 HG LEU 92 8.154 17.249 2.368 788 HD11 LEU 92 1HD1 LEU 92 6.557 17.358 -0.200 789 HD12 LEU 92 2HD1 LEU 92 5.989 17.838 1.399 790 HD13 LEU 92 3HD1 LEU 92 6.391 16.154 1.082 791 HD21 LEU 92 3HD2 LEU 92 10.081 16.621 1.002 792 HD22 LEU 92 1HD2 LEU 92 9.085 16.649 -0.457 793 HD23 LEU 92 2HD2 LEU 92 8.780 15.449 0.803 794 H GLU 93 H GLU 93 7.428 21.834 0.016 795 HA GLU 93 HA GLU 93 9.878 23.310 0.412 796 HB2 GLU 93 2HB GLU 93 7.589 24.053 -1.447 797 HB3 GLU 93 3HB GLU 93 9.266 24.569 -1.551 798 HG2 GLU 93 2HG GLU 93 9.114 22.983 -3.258 799 HG3 GLU 93 3HG GLU 93 9.801 22.045 -1.935 800 H HIS 94 H HIS 94 6.713 23.505 1.726 801 HA HIS 94 HA HIS 94 6.614 26.266 2.406 802 HB2 HIS 94 2HB HIS 94 4.657 24.744 2.705 803 HB3 HIS 94 3HB HIS 94 5.506 23.896 3.990 804 HD1 HIS 94 HD1 HIS 94 3.460 26.922 3.294 805 HD2 HIS 94 HD2 HIS 94 5.703 25.400 6.455 806 HE1 HIS 94 HE1 HIS 94 2.824 28.284 5.308 807 HE2 HIS 94 HE2 HIS 94 4.173 27.341 7.201 808 H HIS 95 H HIS 95 8.200 23.444 3.880 809 HA HIS 95 HA HIS 95 9.785 25.018 5.710 810 HB2 HIS 95 2HB HIS 95 10.324 22.242 4.556 811 HB3 HIS 95 3HB HIS 95 11.248 22.996 5.847 812 HD1 HIS 95 HD1 HIS 95 8.744 20.554 5.412 813 HD2 HIS 95 HD2 HIS 95 9.305 23.624 8.158 814 HE1 HIS 95 HE1 HIS 95 7.455 19.880 7.455 815 HE2 HIS 95 HE2 HIS 95 7.979 21.651 9.154 816 H HIS 96 H HIS 96 10.278 26.743 4.155 817 HA HIS 96 HA HIS 96 12.153 26.117 1.983 818 HB2 HIS 96 2HB HIS 96 10.198 27.710 1.642 819 HB3 HIS 96 3HB HIS 96 10.989 28.840 2.735 820 HD1 HIS 96 HD1 HIS 96 11.983 30.660 1.346 821 HD2 HIS 96 HD2 HIS 96 12.360 26.949 -0.494 822 HE1 HIS 96 HE1 HIS 96 13.216 31.085 -0.802 823 HE2 HIS 96 HE2 HIS 96 13.613 28.805 -1.775 824 H HIS 97 H HIS 97 13.732 25.383 3.496 825 HA HIS 97 HA HIS 97 15.044 27.345 5.272 826 HB2 HIS 97 2HB HIS 97 14.388 25.115 6.177 827 HB3 HIS 97 3HB HIS 97 15.396 24.324 4.981 828 HD1 HIS 97 HD1 HIS 97 17.756 23.837 5.682 829 HD2 HIS 97 HD2 HIS 97 15.923 26.615 8.163 830 HE1 HIS 97 HE1 HIS 97 19.302 24.126 7.632 831 HE2 HIS 97 HE2 HIS 97 18.066 25.642 9.204 832 H HIS 98 H HIS 98 17.126 28.038 4.916 833 HA HIS 98 HA HIS 98 18.288 27.766 2.317 834 HB2 HIS 98 2HB HIS 98 19.392 28.996 4.878 835 HB3 HIS 98 3HB HIS 98 20.240 29.047 3.335 836 HD1 HIS 98 HD1 HIS 98 19.623 30.937 1.769 837 HD2 HIS 98 HD2 HIS 98 16.887 30.466 4.856 838 HE1 HIS 98 HE1 HIS 98 18.076 32.908 1.621 839 HE2 HIS 98 HE2 HIS 98 16.563 32.685 3.603 840 H HIS 99 H HIS 99 20.127 26.703 1.677 841 HA HIS 99 HA HIS 99 21.592 24.917 3.420 842 HB2 HIS 99 2HB HIS 99 21.099 22.907 1.893 843 HB3 HIS 99 3HB HIS 99 19.813 23.386 2.990 844 HD1 HIS 99 HD1 HIS 99 17.699 24.512 1.927 845 HD2 HIS 99 HD2 HIS 99 20.434 23.048 -0.830 846 HE1 HIS 99 HE1 HIS 99 16.482 24.450 -0.262 847 HE2 HIS 99 HE2 HIS 99 18.082 23.330 -1.839 Start of MODEL 13 1 H1 MET 1 1H MET 1 3.580 14.436 -11.356 2 H2 MET 1 2H MET 1 4.459 13.788 -10.070 3 H3 MET 1 3H MET 1 3.125 14.768 -9.773 4 HA MET 1 HA MET 1 1.632 13.183 -10.669 5 HB2 MET 1 2HB MET 1 3.216 12.314 -12.397 6 HB3 MET 1 3HB MET 1 4.103 11.465 -11.145 7 HG2 MET 1 2HG MET 1 2.234 9.982 -10.743 8 HG3 MET 1 3HG MET 1 1.202 10.915 -11.829 9 HE1 MET 1 3HE MET 1 3.002 10.178 -15.313 10 HE2 MET 1 1HE MET 1 3.400 11.507 -14.226 11 HE3 MET 1 2HE MET 1 1.711 11.089 -14.529 12 H GLY 2 H GLY 2 1.239 13.669 -8.443 13 HA2 GLY 2 2HA GLY 2 2.491 12.131 -6.308 14 HA3 GLY 2 3HA GLY 2 1.218 13.334 -6.152 15 H ARG 3 H ARG 3 1.771 10.087 -7.461 16 HA ARG 3 HA ARG 3 -1.000 9.293 -6.962 17 HB2 ARG 3 2HB ARG 3 -0.210 7.087 -8.027 18 HB3 ARG 3 3HB ARG 3 -0.262 8.510 -9.054 19 HG2 ARG 3 2HG ARG 3 2.163 8.767 -8.907 20 HG3 ARG 3 3HG ARG 3 2.266 7.402 -7.791 21 HD2 ARG 3 2HD ARG 3 2.876 6.854 -10.174 22 HD3 ARG 3 3HD ARG 3 1.594 5.848 -9.500 23 HE ARG 3 HE ARG 3 0.274 7.889 -10.792 24 HH11 ARG 3 1HH1 ARG 3 2.588 5.441 -11.811 25 HH12 ARG 3 2HH1 ARG 3 1.966 5.350 -13.427 26 HH21 ARG 3 1HH2 ARG 3 -0.563 7.723 -12.892 27 HH22 ARG 3 2HH2 ARG 3 0.174 6.649 -14.039 28 H LEU 4 H LEU 4 -1.663 8.056 -5.311 29 HA LEU 4 HA LEU 4 0.310 6.951 -3.402 30 HB2 LEU 4 2HB LEU 4 -1.286 8.663 -2.523 31 HB3 LEU 4 3HB LEU 4 -2.626 7.634 -2.992 32 HG LEU 4 HG LEU 4 -1.825 5.889 -1.368 33 HD11 LEU 4 1HD1 LEU 4 -0.125 6.473 0.303 34 HD12 LEU 4 2HD1 LEU 4 0.194 7.993 -0.533 35 HD13 LEU 4 3HD1 LEU 4 0.551 6.456 -1.323 36 HD21 LEU 4 3HD2 LEU 4 -2.332 8.609 -0.118 37 HD22 LEU 4 1HD2 LEU 4 -2.541 7.044 0.673 38 HD23 LEU 4 2HD2 LEU 4 -3.569 7.485 -0.689 39 H VAL 5 H VAL 5 0.484 4.787 -3.299 40 HA VAL 5 HA VAL 5 -1.754 3.060 -4.207 41 HB VAL 5 HB VAL 5 1.182 2.297 -3.822 42 HG11 VAL 5 1HG1 VAL 5 0.563 0.131 -4.859 43 HG12 VAL 5 2HG1 VAL 5 -1.129 0.634 -4.910 44 HG13 VAL 5 3HG1 VAL 5 -0.326 0.396 -3.357 45 HG21 VAL 5 3HG2 VAL 5 1.288 2.099 -6.261 46 HG22 VAL 5 1HG2 VAL 5 0.840 3.741 -5.790 47 HG23 VAL 5 2HG2 VAL 5 -0.391 2.629 -6.392 48 H VAL 6 H VAL 6 -2.928 2.225 -2.576 49 HA VAL 6 HA VAL 6 -1.730 1.938 0.108 50 HB VAL 6 HB VAL 6 -4.655 1.645 -0.738 51 HG11 VAL 6 1HG1 VAL 6 -5.117 1.732 1.704 52 HG12 VAL 6 2HG1 VAL 6 -3.382 1.732 2.026 53 HG13 VAL 6 3HG1 VAL 6 -4.138 0.330 1.267 54 HG21 VAL 6 3HG2 VAL 6 -3.265 3.985 0.631 55 HG22 VAL 6 1HG2 VAL 6 -5.000 3.852 0.338 56 HG23 VAL 6 2HG2 VAL 6 -3.882 3.970 -1.023 57 H VAL 7 H VAL 7 -0.623 0.062 0.181 58 HA VAL 7 HA VAL 7 -1.534 -2.314 -1.259 59 HB VAL 7 HB VAL 7 0.937 -2.036 0.476 60 HG11 VAL 7 1HG1 VAL 7 1.812 -3.921 -0.852 61 HG12 VAL 7 2HG1 VAL 7 0.284 -4.006 -1.730 62 HG13 VAL 7 3HG1 VAL 7 0.326 -4.349 0.000 63 HG21 VAL 7 3HG2 VAL 7 2.250 -1.550 -1.539 64 HG22 VAL 7 1HG2 VAL 7 1.041 -0.297 -1.253 65 HG23 VAL 7 2HG2 VAL 7 0.771 -1.512 -2.508 66 H VAL 8 H VAL 8 -2.692 -3.839 -0.282 67 HA VAL 8 HA VAL 8 -2.934 -3.997 2.662 68 HB VAL 8 HB VAL 8 -5.299 -4.754 2.289 69 HG11 VAL 8 1HG1 VAL 8 -6.281 -2.549 1.723 70 HG12 VAL 8 2HG1 VAL 8 -4.712 -2.002 1.120 71 HG13 VAL 8 3HG1 VAL 8 -4.915 -2.391 2.831 72 HG21 VAL 8 3HG2 VAL 8 -6.365 -4.436 0.068 73 HG22 VAL 8 1HG2 VAL 8 -5.069 -5.629 0.000 74 HG23 VAL 8 2HG2 VAL 8 -4.803 -4.000 -0.623 75 H THR 9 H THR 9 -3.333 -6.151 3.477 76 HA THR 9 HA THR 9 -2.453 -8.348 1.678 77 HB THR 9 HB THR 9 -2.233 -8.298 4.724 78 HG1 THR 9 HG1 THR 9 -1.022 -6.567 3.948 79 HG21 THR 9 3HG2 THR 9 -1.940 -10.536 3.684 80 HG22 THR 9 1HG2 THR 9 -0.435 -9.945 4.392 81 HG23 THR 9 2HG2 THR 9 -0.673 -9.880 2.643 82 H SER 10 H SER 10 -5.218 -7.111 2.452 83 HA SER 10 HA SER 10 -6.661 -9.653 2.530 84 HB2 SER 10 2HB SER 10 -6.567 -9.048 4.905 85 HB3 SER 10 3HB SER 10 -7.088 -7.402 4.550 86 HG SER 10 HG SER 10 -8.565 -9.797 4.539 87 H GLU 11 H GLU 11 -8.485 -9.596 1.277 88 HA GLU 11 HA GLU 11 -9.105 -7.363 -0.401 89 HB2 GLU 11 2HB GLU 11 -10.717 -9.895 0.138 90 HB3 GLU 11 3HB GLU 11 -11.122 -8.700 -1.092 91 HG2 GLU 11 2HG GLU 11 -8.856 -9.161 -2.138 92 HG3 GLU 11 3HG GLU 11 -8.699 -10.514 -1.018 93 H GLN 12 H GLN 12 -10.248 -8.476 2.673 94 HA GLN 12 HA GLN 12 -12.662 -7.007 2.910 95 HB2 GLN 12 2HB GLN 12 -10.733 -8.004 5.057 96 HB3 GLN 12 3HB GLN 12 -12.364 -7.413 5.369 97 HG2 GLN 12 2HG GLN 12 -13.343 -9.253 4.156 98 HG3 GLN 12 3HG GLN 12 -11.759 -9.800 3.607 99 HE21 GLN 12 1HE2 GLN 12 -10.390 -10.873 5.075 100 HE22 GLN 12 2HE2 GLN 12 -10.968 -11.513 6.571 101 H LEU 13 H LEU 13 -9.281 -6.280 3.723 102 HA LEU 13 HA LEU 13 -9.779 -3.591 4.610 103 HB2 LEU 13 2HB LEU 13 -7.166 -4.899 3.739 104 HB3 LEU 13 3HB LEU 13 -7.303 -3.338 4.533 105 HG LEU 13 HG LEU 13 -7.999 -6.036 5.766 106 HD11 LEU 13 1HD1 LEU 13 -5.724 -4.126 6.396 107 HD12 LEU 13 2HD1 LEU 13 -5.585 -5.674 5.559 108 HD13 LEU 13 3HD1 LEU 13 -6.085 -5.631 7.247 109 HD21 LEU 13 3HD2 LEU 13 -8.386 -4.810 7.871 110 HD22 LEU 13 1HD2 LEU 13 -9.531 -4.326 6.620 111 HD23 LEU 13 2HD2 LEU 13 -8.173 -3.274 7.026 112 H LYS 14 H LYS 14 -9.003 -5.132 1.525 113 HA LYS 14 HA LYS 14 -8.111 -2.913 0.059 114 HB2 LYS 14 2HB LYS 14 -7.879 -5.248 -0.756 115 HB3 LYS 14 3HB LYS 14 -9.621 -5.356 -0.977 116 HG2 LYS 14 2HG LYS 14 -9.492 -3.556 -2.696 117 HG3 LYS 14 3HG LYS 14 -7.740 -3.508 -2.491 118 HD2 LYS 14 2HD LYS 14 -7.568 -5.841 -3.299 119 HD3 LYS 14 3HD LYS 14 -9.327 -5.927 -3.447 120 HE2 LYS 14 2HE LYS 14 -9.216 -4.045 -5.116 121 HE3 LYS 14 3HE LYS 14 -7.455 -4.141 -5.044 122 HZ1 LYS 14 3HZ LYS 14 -9.289 -6.307 -5.938 123 HZ2 LYS 14 1HZ LYS 14 -7.606 -6.433 -5.846 124 HZ3 LYS 14 2HZ LYS 14 -8.314 -5.351 -6.931 125 H GLU 15 H GLU 15 -11.400 -4.344 0.150 126 HA GLU 15 HA GLU 15 -12.634 -2.400 -1.496 127 HB2 GLU 15 2HB GLU 15 -14.780 -3.383 -0.766 128 HB3 GLU 15 3HB GLU 15 -13.616 -4.631 -1.192 129 HG2 GLU 15 2HG GLU 15 -13.168 -5.069 1.179 130 HG3 GLU 15 3HG GLU 15 -14.266 -3.771 1.643 131 H GLU 16 H GLU 16 -11.987 -2.495 1.944 132 HA GLU 16 HA GLU 16 -13.747 -0.453 2.791 133 HB2 GLU 16 2HB GLU 16 -12.669 -2.040 4.344 134 HB3 GLU 16 3HB GLU 16 -11.086 -1.381 3.958 135 HG2 GLU 16 2HG GLU 16 -11.920 -0.600 6.145 136 HG3 GLU 16 3HG GLU 16 -11.656 0.736 5.027 137 H VAL 17 H VAL 17 -10.261 -0.359 1.962 138 HA VAL 17 HA VAL 17 -9.879 2.406 2.145 139 HB VAL 17 HB VAL 17 -8.429 0.520 0.226 140 HG11 VAL 17 1HG1 VAL 17 -7.569 3.200 1.396 141 HG12 VAL 17 2HG1 VAL 17 -8.026 2.895 -0.284 142 HG13 VAL 17 3HG1 VAL 17 -6.575 2.154 0.383 143 HG21 VAL 17 3HG2 VAL 17 -7.728 1.207 3.106 144 HG22 VAL 17 1HG2 VAL 17 -6.749 0.227 2.013 145 HG23 VAL 17 2HG2 VAL 17 -8.333 -0.343 2.535 146 H ARG 18 H ARG 18 -10.840 0.434 -0.675 147 HA ARG 18 HA ARG 18 -10.842 2.530 -2.580 148 HB2 ARG 18 2HB ARG 18 -12.427 -0.070 -2.651 149 HB3 ARG 18 3HB ARG 18 -12.103 0.979 -4.032 150 HG2 ARG 18 2HG ARG 18 -9.683 0.515 -3.809 151 HG3 ARG 18 3HG ARG 18 -10.015 -0.532 -2.431 152 HD2 ARG 18 2HD ARG 18 -9.743 -1.990 -4.283 153 HD3 ARG 18 3HD ARG 18 -11.484 -1.913 -3.997 154 HE ARG 18 HE ARG 18 -10.458 -0.047 -5.961 155 HH11 ARG 18 1HH1 ARG 18 -11.894 -3.241 -5.495 156 HH12 ARG 18 2HH1 ARG 18 -12.415 -3.365 -7.148 157 HH21 ARG 18 1HH2 ARG 18 -11.062 -0.265 -8.120 158 HH22 ARG 18 2HH2 ARG 18 -11.940 -1.675 -8.633 159 H LYS 19 H LYS 19 -13.311 1.326 -0.362 160 HA LYS 19 HA LYS 19 -15.601 2.706 -1.267 161 HB2 LYS 19 2HB LYS 19 -15.734 0.976 0.486 162 HB3 LYS 19 3HB LYS 19 -14.731 1.938 1.560 163 HG2 LYS 19 2HG LYS 19 -16.800 2.423 2.464 164 HG3 LYS 19 3HG LYS 19 -16.708 3.718 1.277 165 HD2 LYS 19 2HD LYS 19 -18.902 2.773 1.112 166 HD3 LYS 19 3HD LYS 19 -18.013 2.225 -0.314 167 HE2 LYS 19 2HE LYS 19 -17.610 0.048 0.766 168 HE3 LYS 19 3HE LYS 19 -18.434 0.601 2.224 169 HZ1 LYS 19 3HZ LYS 19 -19.638 0.127 -0.443 170 HZ2 LYS 19 1HZ LYS 19 -20.444 0.899 0.823 171 HZ3 LYS 19 2HZ LYS 19 -19.948 -0.699 0.999 172 H LYS 20 H LYS 20 -13.173 3.579 1.166 173 HA LYS 20 HA LYS 20 -14.191 6.161 1.792 174 HB2 LYS 20 2HB LYS 20 -11.365 5.070 2.186 175 HB3 LYS 20 3HB LYS 20 -12.075 6.446 3.029 176 HG2 LYS 20 2HG LYS 20 -13.640 5.008 4.202 177 HG3 LYS 20 3HG LYS 20 -13.142 3.616 3.240 178 HD2 LYS 20 2HD LYS 20 -12.098 3.450 5.420 179 HD3 LYS 20 3HD LYS 20 -10.845 3.797 4.226 180 HE2 LYS 20 2HE LYS 20 -10.487 5.126 6.244 181 HE3 LYS 20 3HE LYS 20 -10.891 6.185 4.894 182 HZ1 LYS 20 3HZ LYS 20 -13.167 6.299 5.731 183 HZ2 LYS 20 1HZ LYS 20 -12.065 6.827 6.896 184 HZ3 LYS 20 2HZ LYS 20 -12.764 5.297 7.027 185 H PHE 21 H PHE 21 -11.743 4.986 -0.477 186 HA PHE 21 HA PHE 21 -11.440 7.649 -1.688 187 HB2 PHE 21 2HB PHE 21 -8.973 5.924 -1.381 188 HB3 PHE 21 3HB PHE 21 -9.083 7.658 -1.628 189 HD1 PHE 21 HD1 PHE 21 -9.970 9.078 0.384 190 HD2 PHE 21 HD2 PHE 21 -8.568 5.052 0.749 191 HE1 PHE 21 HE1 PHE 21 -9.611 9.403 2.796 192 HE2 PHE 21 HE2 PHE 21 -8.219 5.394 3.148 193 HZ PHE 21 HZ PHE 21 -8.736 7.551 4.165 194 HA PRO 22 HA PRO 22 -11.740 4.752 -5.316 195 HB2 PRO 22 2HB PRO 22 -13.436 6.989 -6.346 196 HB3 PRO 22 3HB PRO 22 -13.773 5.246 -6.314 197 HG2 PRO 22 2HG PRO 22 -15.095 6.937 -4.702 198 HG3 PRO 22 3HG PRO 22 -14.649 5.300 -4.159 199 HD2 PRO 22 2HD PRO 22 -13.275 7.925 -3.555 200 HD3 PRO 22 3HD PRO 22 -13.680 6.583 -2.454 201 H GLN 23 H GLN 23 -10.694 7.827 -4.368 202 HA GLN 23 HA GLN 23 -9.579 8.769 -6.830 203 HB2 GLN 23 2HB GLN 23 -8.614 10.563 -5.416 204 HB3 GLN 23 3HB GLN 23 -10.340 10.351 -5.161 205 HG2 GLN 23 2HG GLN 23 -9.777 8.995 -3.095 206 HG3 GLN 23 3HG GLN 23 -8.096 9.480 -3.317 207 HE21 GLN 23 1HE2 GLN 23 -9.897 10.042 -1.090 208 HE22 GLN 23 2HE2 GLN 23 -9.983 11.760 -0.953 209 H VAL 24 H VAL 24 -8.363 6.647 -4.275 210 HA VAL 24 HA VAL 24 -5.624 6.845 -5.419 211 HB VAL 24 HB VAL 24 -4.680 5.965 -3.393 212 HG11 VAL 24 1HG1 VAL 24 -5.237 7.719 -1.750 213 HG12 VAL 24 2HG1 VAL 24 -6.693 8.122 -2.666 214 HG13 VAL 24 3HG1 VAL 24 -5.101 8.374 -3.384 215 HG21 VAL 24 3HG2 VAL 24 -7.502 5.555 -2.332 216 HG22 VAL 24 1HG2 VAL 24 -6.031 5.391 -1.365 217 HG23 VAL 24 2HG2 VAL 24 -6.325 4.303 -2.723 218 H GLU 25 H GLU 25 -4.466 4.933 -5.869 219 HA GLU 25 HA GLU 25 -6.113 2.657 -6.699 220 HB2 GLU 25 2HB GLU 25 -3.912 1.903 -7.809 221 HB3 GLU 25 3HB GLU 25 -4.665 3.358 -8.447 222 HG2 GLU 25 2HG GLU 25 -3.059 4.754 -7.213 223 HG3 GLU 25 3HG GLU 25 -2.318 3.308 -6.524 224 H VAL 26 H VAL 26 -5.930 0.613 -5.840 225 HA VAL 26 HA VAL 26 -4.334 0.305 -3.355 226 HB VAL 26 HB VAL 26 -7.158 -0.748 -3.915 227 HG11 VAL 26 1HG1 VAL 26 -5.522 -0.940 -1.359 228 HG12 VAL 26 2HG1 VAL 26 -5.901 -2.280 -2.444 229 HG13 VAL 26 3HG1 VAL 26 -7.195 -1.469 -1.560 230 HG21 VAL 26 3HG2 VAL 26 -7.157 1.687 -3.554 231 HG22 VAL 26 1HG2 VAL 26 -6.269 1.477 -2.041 232 HG23 VAL 26 2HG2 VAL 26 -7.915 0.856 -2.194 233 H ARG 27 H ARG 27 -3.028 -1.460 -3.303 234 HA ARG 27 HA ARG 27 -3.364 -3.581 -5.342 235 HB2 ARG 27 2HB ARG 27 -0.964 -2.063 -4.417 236 HB3 ARG 27 3HB ARG 27 -0.703 -3.789 -4.575 237 HG2 ARG 27 2HG ARG 27 -1.693 -1.956 -6.793 238 HG3 ARG 27 3HG ARG 27 -0.054 -2.587 -6.614 239 HD2 ARG 27 2HD ARG 27 -0.909 -4.894 -6.844 240 HD3 ARG 27 3HD ARG 27 -2.548 -4.266 -7.026 241 HE ARG 27 HE ARG 27 -0.453 -3.515 -8.963 242 HH11 ARG 27 1HH1 ARG 27 -3.521 -5.126 -8.322 243 HH12 ARG 27 2HH1 ARG 27 -3.884 -5.349 -10.000 244 HH21 ARG 27 1HH2 ARG 27 -0.948 -3.833 -11.158 245 HH22 ARG 27 2HH2 ARG 27 -2.431 -4.618 -11.608 246 H LEU 28 H LEU 28 -3.535 -5.602 -4.678 247 HA LEU 28 HA LEU 28 -3.698 -6.245 -1.838 248 HB2 LEU 28 2HB LEU 28 -5.578 -6.801 -3.344 249 HB3 LEU 28 3HB LEU 28 -4.512 -7.778 -4.341 250 HG LEU 28 HG LEU 28 -4.183 -9.330 -2.371 251 HD11 LEU 28 1HD1 LEU 28 -5.741 -9.207 -0.480 252 HD12 LEU 28 2HD1 LEU 28 -6.377 -7.679 -1.091 253 HD13 LEU 28 3HD1 LEU 28 -4.698 -7.787 -0.553 254 HD21 LEU 28 3HD2 LEU 28 -7.050 -8.983 -3.289 255 HD22 LEU 28 1HD2 LEU 28 -6.354 -10.444 -2.584 256 HD23 LEU 28 2HD2 LEU 28 -5.786 -9.865 -4.147 257 H VAL 29 H VAL 29 -2.466 -7.856 -0.862 258 HA VAL 29 HA VAL 29 -0.415 -9.297 -2.453 259 HB VAL 29 HB VAL 29 -0.137 -8.115 0.352 260 HG11 VAL 29 1HG1 VAL 29 1.797 -10.010 -1.043 261 HG12 VAL 29 2HG1 VAL 29 0.855 -10.362 0.408 262 HG13 VAL 29 3HG1 VAL 29 2.120 -9.136 0.457 263 HG21 VAL 29 3HG2 VAL 29 1.477 -7.656 -2.185 264 HG22 VAL 29 1HG2 VAL 29 1.790 -6.911 -0.614 265 HG23 VAL 29 2HG2 VAL 29 0.303 -6.537 -1.486 266 H THR 30 H THR 30 -1.308 -11.247 -2.679 267 HA THR 30 HA THR 30 -2.613 -12.673 -0.469 268 HB THR 30 HB THR 30 -2.964 -14.473 -2.255 269 HG1 THR 30 HG1 THR 30 -2.109 -12.472 -4.091 270 HG21 THR 30 3HG2 THR 30 -4.745 -12.801 -1.815 271 HG22 THR 30 1HG2 THR 30 -4.687 -13.252 -3.519 272 HG23 THR 30 2HG2 THR 30 -4.006 -11.711 -2.994 273 H THR 31 H THR 31 0.188 -12.902 -2.584 274 HA THR 31 HA THR 31 1.561 -14.831 -0.791 275 HB THR 31 HB THR 31 2.743 -15.692 -2.839 276 HG1 THR 31 HG1 THR 31 0.803 -14.290 -4.375 277 HG21 THR 31 3HG2 THR 31 0.730 -16.934 -2.087 278 HG22 THR 31 1HG2 THR 31 0.905 -16.985 -3.843 279 HG23 THR 31 2HG2 THR 31 -0.278 -15.904 -3.107 280 H GLU 32 H GLU 32 4.016 -14.653 -1.069 281 HA GLU 32 HA GLU 32 4.989 -11.978 -1.056 282 HB2 GLU 32 2HB GLU 32 6.193 -13.801 0.127 283 HB3 GLU 32 3HB GLU 32 6.557 -14.578 -1.411 284 HG2 GLU 32 2HG GLU 32 7.906 -12.572 -2.069 285 HG3 GLU 32 3HG GLU 32 7.571 -11.855 -0.496 286 H GLU 33 H GLU 33 4.769 -14.514 -3.534 287 HA GLU 33 HA GLU 33 6.043 -13.351 -5.704 288 HB2 GLU 33 2HB GLU 33 3.484 -14.991 -5.558 289 HB3 GLU 33 3HB GLU 33 4.237 -14.564 -7.083 290 HG2 GLU 33 2HG GLU 33 5.682 -16.117 -4.927 291 HG3 GLU 33 3HG GLU 33 4.715 -16.890 -6.179 292 H ASP 34 H ASP 34 2.785 -12.742 -4.451 293 HA ASP 34 HA ASP 34 1.931 -10.958 -6.503 294 HB2 ASP 34 2HB ASP 34 0.468 -12.362 -4.906 295 HB3 ASP 34 3HB ASP 34 0.765 -11.132 -3.690 296 H ALA 35 H ALA 35 3.366 -10.583 -3.300 297 HA ALA 35 HA ALA 35 3.348 -7.778 -3.084 298 HB1 ALA 35 3HB ALA 35 5.153 -8.060 -1.437 299 HB2 ALA 35 1HB ALA 35 5.392 -9.735 -1.969 300 HB3 ALA 35 2HB ALA 35 3.888 -9.261 -1.184 301 H LYS 36 H LYS 36 5.662 -10.022 -4.604 302 HA LYS 36 HA LYS 36 7.698 -8.173 -5.259 303 HB2 LYS 36 2HB LYS 36 6.952 -10.850 -6.516 304 HB3 LYS 36 3HB LYS 36 8.427 -9.964 -6.900 305 HG2 LYS 36 2HG LYS 36 9.315 -10.272 -4.697 306 HG3 LYS 36 3HG LYS 36 7.758 -10.816 -4.070 307 HD2 LYS 36 2HD LYS 36 9.271 -12.720 -4.333 308 HD3 LYS 36 3HD LYS 36 7.910 -12.865 -5.445 309 HE2 LYS 36 2HE LYS 36 10.027 -13.494 -6.528 310 HE3 LYS 36 3HE LYS 36 9.335 -12.060 -7.294 311 HZ1 LYS 36 3HZ LYS 36 10.861 -10.704 -5.958 312 HZ2 LYS 36 1HZ LYS 36 11.685 -11.782 -6.963 313 HZ3 LYS 36 2HZ LYS 36 11.545 -12.107 -5.311 314 H GLN 37 H GLN 37 4.839 -9.325 -7.039 315 HA GLN 37 HA GLN 37 5.183 -7.953 -9.461 316 HB2 GLN 37 2HB GLN 37 2.550 -8.534 -8.028 317 HB3 GLN 37 3HB GLN 37 2.700 -8.029 -9.705 318 HG2 GLN 37 2HG GLN 37 3.964 -10.137 -10.168 319 HG3 GLN 37 3HG GLN 37 3.618 -10.655 -8.514 320 HE21 GLN 37 1HE2 GLN 37 1.413 -11.118 -7.953 321 HE22 GLN 37 2HE2 GLN 37 0.226 -11.445 -9.160 322 H VAL 38 H VAL 38 3.538 -6.949 -6.458 323 HA VAL 38 HA VAL 38 2.738 -4.378 -7.216 324 HB VAL 38 HB VAL 38 3.402 -5.424 -4.414 325 HG11 VAL 38 1HG1 VAL 38 1.827 -2.939 -5.199 326 HG12 VAL 38 2HG1 VAL 38 3.397 -2.965 -4.394 327 HG13 VAL 38 3HG1 VAL 38 1.970 -3.579 -3.560 328 HG21 VAL 38 3HG2 VAL 38 0.715 -5.213 -5.834 329 HG22 VAL 38 1HG2 VAL 38 0.970 -5.792 -4.183 330 HG23 VAL 38 2HG2 VAL 38 1.608 -6.704 -5.550 331 H ILE 39 H ILE 39 5.746 -5.461 -5.621 332 HA ILE 39 HA ILE 39 6.882 -2.968 -4.993 333 HB ILE 39 HB ILE 39 8.204 -5.666 -5.536 334 HG12 ILE 39 2HG1 ILE 39 7.708 -4.227 -2.890 335 HG13 ILE 39 3HG1 ILE 39 6.731 -5.548 -3.513 336 HG21 ILE 39 1HG2 ILE 39 9.861 -3.905 -5.967 337 HG22 ILE 39 2HG2 ILE 39 10.258 -4.788 -4.496 338 HG23 ILE 39 3HG2 ILE 39 9.529 -3.185 -4.392 339 HD11 ILE 39 3HD1 ILE 39 8.671 -7.041 -3.390 340 HD12 ILE 39 1HD1 ILE 39 8.266 -6.337 -1.825 341 HD13 ILE 39 2HD1 ILE 39 9.642 -5.716 -2.737 342 H LYS 40 H LYS 40 7.456 -5.113 -7.805 343 HA LYS 40 HA LYS 40 9.287 -3.388 -9.135 344 HB2 LYS 40 2HB LYS 40 7.604 -5.677 -10.226 345 HB3 LYS 40 3HB LYS 40 8.860 -4.849 -11.143 346 HG2 LYS 40 2HG LYS 40 10.540 -5.571 -9.438 347 HG3 LYS 40 3HG LYS 40 9.264 -6.474 -8.611 348 HD2 LYS 40 2HD LYS 40 10.563 -7.989 -10.041 349 HD3 LYS 40 3HD LYS 40 8.916 -7.844 -10.658 350 HE2 LYS 40 2HE LYS 40 9.754 -6.164 -12.333 351 HE3 LYS 40 3HE LYS 40 11.394 -6.464 -11.756 352 HZ1 LYS 40 3HZ LYS 40 10.973 -7.745 -13.719 353 HZ2 LYS 40 1HZ LYS 40 9.591 -8.446 -13.047 354 HZ3 LYS 40 2HZ LYS 40 11.114 -8.799 -12.411 355 H GLU 41 H GLU 41 5.777 -3.690 -9.196 356 HA GLU 41 HA GLU 41 5.324 -2.089 -11.527 357 HB2 GLU 41 2HB GLU 41 3.725 -3.827 -10.675 358 HB3 GLU 41 3HB GLU 41 3.367 -2.798 -9.290 359 HG2 GLU 41 2HG GLU 41 2.505 -1.060 -10.805 360 HG3 GLU 41 3HG GLU 41 2.879 -2.072 -12.195 361 H ILE 42 H ILE 42 5.529 -1.443 -8.068 362 HA ILE 42 HA ILE 42 4.692 1.239 -7.971 363 HB ILE 42 HB ILE 42 6.675 -0.335 -6.269 364 HG12 ILE 42 2HG1 ILE 42 3.926 0.760 -5.516 365 HG13 ILE 42 3HG1 ILE 42 4.184 -0.868 -6.127 366 HG21 ILE 42 1HG2 ILE 42 6.690 1.510 -4.624 367 HG22 ILE 42 2HG2 ILE 42 5.766 2.507 -5.746 368 HG23 ILE 42 3HG2 ILE 42 7.402 2.005 -6.164 369 HD11 ILE 42 3HD1 ILE 42 3.961 -0.865 -3.723 370 HD12 ILE 42 1HD1 ILE 42 5.314 0.259 -3.565 371 HD13 ILE 42 2HD1 ILE 42 5.585 -1.374 -4.183 372 H GLN 43 H GLN 43 7.867 -0.215 -8.606 373 HA GLN 43 HA GLN 43 9.320 2.224 -8.962 374 HB2 GLN 43 2HB GLN 43 9.970 -0.571 -9.990 375 HB3 GLN 43 3HB GLN 43 11.114 0.758 -9.813 376 HG2 GLN 43 2HG GLN 43 11.016 0.649 -7.422 377 HG3 GLN 43 3HG GLN 43 9.606 -0.412 -7.464 378 HE21 GLN 43 1HE2 GLN 43 10.593 -2.008 -6.252 379 HE22 GLN 43 2HE2 GLN 43 11.873 -2.996 -6.856 380 H LYS 44 H LYS 44 7.701 -0.035 -11.142 381 HA LYS 44 HA LYS 44 8.605 0.949 -13.628 382 HB2 LYS 44 2HB LYS 44 7.637 -1.316 -13.297 383 HB3 LYS 44 3HB LYS 44 6.068 -0.604 -12.942 384 HG2 LYS 44 2HG LYS 44 6.070 -1.477 -15.207 385 HG3 LYS 44 3HG LYS 44 5.962 0.284 -15.259 386 HD2 LYS 44 2HD LYS 44 8.433 0.372 -15.732 387 HD3 LYS 44 3HD LYS 44 8.450 -1.394 -15.795 388 HE2 LYS 44 2HE LYS 44 8.338 -0.432 -18.056 389 HE3 LYS 44 3HE LYS 44 6.863 -1.335 -17.700 390 HZ1 LYS 44 3HZ LYS 44 5.739 0.744 -17.228 391 HZ2 LYS 44 1HZ LYS 44 6.411 0.793 -18.779 392 HZ3 LYS 44 2HZ LYS 44 7.155 1.620 -17.506 393 H LYS 45 H LYS 45 5.661 1.602 -11.768 394 HA LYS 45 HA LYS 45 4.636 3.549 -13.657 395 HB2 LYS 45 2HB LYS 45 3.649 2.633 -10.927 396 HB3 LYS 45 3HB LYS 45 2.783 3.757 -11.975 397 HG2 LYS 45 2HG LYS 45 2.516 2.046 -13.690 398 HG3 LYS 45 3HG LYS 45 3.519 0.924 -12.765 399 HD2 LYS 45 2HD LYS 45 1.145 0.369 -12.514 400 HD3 LYS 45 3HD LYS 45 1.841 0.859 -10.971 401 HE2 LYS 45 2HE LYS 45 0.788 3.048 -11.150 402 HE3 LYS 45 3HE LYS 45 0.181 2.658 -12.763 403 HZ1 LYS 45 3HZ LYS 45 -0.559 1.197 -10.287 404 HZ2 LYS 45 1HZ LYS 45 -1.190 0.937 -11.829 405 HZ3 LYS 45 2HZ LYS 45 -1.501 2.386 -11.022 406 H GLY 46 H GLY 46 6.654 3.548 -10.881 407 HA2 GLY 46 2HA GLY 46 8.004 5.241 -10.070 408 HA3 GLY 46 3HA GLY 46 7.258 6.353 -11.204 409 H VAL 47 H VAL 47 5.901 4.409 -8.566 410 HA VAL 47 HA VAL 47 4.353 6.598 -7.508 411 HB VAL 47 HB VAL 47 4.789 3.824 -6.315 412 HG11 VAL 47 1HG1 VAL 47 3.875 5.464 -4.713 413 HG12 VAL 47 2HG1 VAL 47 2.694 4.215 -5.103 414 HG13 VAL 47 3HG1 VAL 47 2.552 5.818 -5.828 415 HG21 VAL 47 3HG2 VAL 47 3.910 3.633 -8.616 416 HG22 VAL 47 1HG2 VAL 47 2.571 4.705 -8.196 417 HG23 VAL 47 2HG2 VAL 47 2.713 3.123 -7.425 418 H GLN 48 H GLN 48 4.745 7.691 -5.595 419 HA GLN 48 HA GLN 48 7.517 7.683 -4.591 420 HB2 GLN 48 2HB GLN 48 6.435 9.777 -5.514 421 HB3 GLN 48 3HB GLN 48 5.271 9.717 -4.204 422 HG2 GLN 48 2HG GLN 48 6.974 11.367 -3.714 423 HG3 GLN 48 3HG GLN 48 7.112 10.027 -2.574 424 HE21 GLN 48 1HE2 GLN 48 9.273 10.702 -2.140 425 HE22 GLN 48 2HE2 GLN 48 10.558 10.361 -3.239 426 H LYS 49 H LYS 49 4.143 7.638 -3.490 427 HA LYS 49 HA LYS 49 4.958 7.055 -0.696 428 HB2 LYS 49 2HB LYS 49 2.339 8.252 -1.690 429 HB3 LYS 49 3HB LYS 49 2.945 8.237 -0.037 430 HG2 LYS 49 2HG LYS 49 4.484 9.975 -0.447 431 HG3 LYS 49 3HG LYS 49 4.472 9.703 -2.192 432 HD2 LYS 49 2HD LYS 49 2.161 10.574 -2.322 433 HD3 LYS 49 3HD LYS 49 2.164 10.850 -0.580 434 HE2 LYS 49 2HE LYS 49 4.052 12.183 -2.533 435 HE3 LYS 49 3HE LYS 49 2.571 12.910 -1.916 436 HZ1 LYS 49 3HZ LYS 49 4.534 13.646 -0.703 437 HZ2 LYS 49 1HZ LYS 49 4.873 12.056 -0.247 438 HZ3 LYS 49 2HZ LYS 49 3.472 12.813 0.308 439 H VAL 50 H VAL 50 4.281 5.066 0.117 440 HA VAL 50 HA VAL 50 1.808 3.858 -0.980 441 HB VAL 50 HB VAL 50 2.640 1.595 -0.591 442 HG11 VAL 50 1HG1 VAL 50 4.333 1.451 -2.386 443 HG12 VAL 50 2HG1 VAL 50 4.566 3.199 -2.304 444 HG13 VAL 50 3HG1 VAL 50 3.009 2.539 -2.808 445 HG21 VAL 50 3HG2 VAL 50 4.156 1.964 1.299 446 HG22 VAL 50 1HG2 VAL 50 5.279 2.855 0.268 447 HG23 VAL 50 2HG2 VAL 50 5.015 1.129 0.006 448 H VAL 51 H VAL 51 0.356 3.088 0.471 449 HA VAL 51 HA VAL 51 0.888 3.413 3.360 450 HB VAL 51 HB VAL 51 -1.797 3.195 1.910 451 HG11 VAL 51 1HG1 VAL 51 -1.208 3.872 4.810 452 HG12 VAL 51 2HG1 VAL 51 -1.885 2.353 4.221 453 HG13 VAL 51 3HG1 VAL 51 -2.800 3.851 4.053 454 HG21 VAL 51 3HG2 VAL 51 -0.670 5.320 1.378 455 HG22 VAL 51 1HG2 VAL 51 -0.506 5.671 3.101 456 HG23 VAL 51 2HG2 VAL 51 -2.108 5.577 2.364 457 H LEU 52 H LEU 52 1.695 1.457 4.014 458 HA LEU 52 HA LEU 52 0.651 -1.052 2.967 459 HB2 LEU 52 2HB LEU 52 2.789 -0.476 5.061 460 HB3 LEU 52 3HB LEU 52 2.332 -2.085 4.538 461 HG LEU 52 HG LEU 52 3.729 0.046 2.869 462 HD11 LEU 52 1HD1 LEU 52 4.659 -2.729 3.700 463 HD12 LEU 52 2HD1 LEU 52 5.194 -1.208 4.415 464 HD13 LEU 52 3HD1 LEU 52 5.566 -1.562 2.731 465 HD21 LEU 52 3HD2 LEU 52 2.715 -2.644 1.946 466 HD22 LEU 52 1HD2 LEU 52 3.784 -1.575 1.031 467 HD23 LEU 52 2HD2 LEU 52 2.151 -1.054 1.426 468 H VAL 53 H VAL 53 -1.454 -1.166 3.656 469 HA VAL 53 HA VAL 53 -2.146 -0.969 6.488 470 HB VAL 53 HB VAL 53 -3.964 -1.492 4.092 471 HG11 VAL 53 1HG1 VAL 53 -5.852 -1.046 5.627 472 HG12 VAL 53 2HG1 VAL 53 -4.727 -0.885 6.977 473 HG13 VAL 53 3HG1 VAL 53 -4.914 -2.442 6.168 474 HG21 VAL 53 3HG2 VAL 53 -4.743 0.825 4.384 475 HG22 VAL 53 1HG2 VAL 53 -3.013 0.774 4.033 476 HG23 VAL 53 2HG2 VAL 53 -3.571 1.066 5.682 477 H GLY 54 H GLY 54 -2.022 -2.685 7.745 478 HA2 GLY 54 2HA GLY 54 -2.221 -4.802 8.586 479 HA3 GLY 54 3HA GLY 54 -3.387 -5.091 7.308 480 H VAL 55 H VAL 55 0.081 -4.370 6.953 481 HA VAL 55 HA VAL 55 0.452 -6.887 5.475 482 HB VAL 55 HB VAL 55 2.570 -5.970 4.663 483 HG11 VAL 55 1HG1 VAL 55 1.745 -4.063 3.321 484 HG12 VAL 55 2HG1 VAL 55 0.340 -3.916 4.381 485 HG13 VAL 55 3HG1 VAL 55 0.552 -5.365 3.397 486 HG21 VAL 55 3HG2 VAL 55 3.333 -3.681 5.237 487 HG22 VAL 55 1HG2 VAL 55 3.309 -4.743 6.648 488 HG23 VAL 55 2HG2 VAL 55 2.030 -3.547 6.422 489 H SER 56 H SER 56 2.341 -8.214 5.891 490 HA SER 56 HA SER 56 2.860 -8.603 8.710 491 HB2 SER 56 2HB SER 56 2.483 -10.476 7.030 492 HB3 SER 56 3HB SER 56 4.073 -10.109 6.355 493 HG SER 56 HG SER 56 3.398 -11.435 8.651 494 H GLU 57 H GLU 57 5.078 -8.703 9.601 495 HA GLU 57 HA GLU 57 6.372 -6.223 9.173 496 HB2 GLU 57 2HB GLU 57 7.956 -6.978 10.962 497 HB3 GLU 57 3HB GLU 57 6.264 -7.180 11.401 498 HG2 GLU 57 2HG GLU 57 6.408 -9.588 10.848 499 HG3 GLU 57 3HG GLU 57 8.107 -9.379 10.432 500 H LYS 58 H LYS 58 7.269 -9.500 8.162 501 HA LYS 58 HA LYS 58 9.892 -8.969 7.211 502 HB2 LYS 58 2HB LYS 58 9.050 -11.242 7.647 503 HB3 LYS 58 3HB LYS 58 7.872 -11.083 6.353 504 HG2 LYS 58 2HG LYS 58 9.739 -10.960 4.705 505 HG3 LYS 58 3HG LYS 58 10.892 -11.170 6.029 506 HD2 LYS 58 2HD LYS 58 9.872 -13.384 6.547 507 HD3 LYS 58 3HD LYS 58 8.750 -13.174 5.202 508 HE2 LYS 58 2HE LYS 58 10.621 -13.194 3.612 509 HE3 LYS 58 3HE LYS 58 11.775 -13.318 4.942 510 HZ1 LYS 58 3HZ LYS 58 11.420 -15.470 4.004 511 HZ2 LYS 58 1HZ LYS 58 9.748 -15.351 4.166 512 HZ3 LYS 58 2HZ LYS 58 10.729 -15.457 5.539 513 H LEU 59 H LEU 59 6.718 -8.894 5.656 514 HA LEU 59 HA LEU 59 7.656 -8.240 3.019 515 HB2 LEU 59 2HB LEU 59 4.860 -8.142 4.222 516 HB3 LEU 59 3HB LEU 59 5.221 -7.944 2.516 517 HG LEU 59 HG LEU 59 5.663 -10.481 4.138 518 HD11 LEU 59 1HD1 LEU 59 3.857 -11.444 2.776 519 HD12 LEU 59 2HD1 LEU 59 3.626 -9.896 1.964 520 HD13 LEU 59 3HD1 LEU 59 3.287 -10.047 3.689 521 HD21 LEU 59 3HD2 LEU 59 6.178 -9.992 1.185 522 HD22 LEU 59 1HD2 LEU 59 6.252 -11.559 1.992 523 HD23 LEU 59 2HD2 LEU 59 7.397 -10.292 2.426 524 H LEU 60 H LEU 60 6.584 -6.440 5.828 525 HA LEU 60 HA LEU 60 6.022 -3.914 4.753 526 HB2 LEU 60 2HB LEU 60 5.562 -4.438 7.092 527 HB3 LEU 60 3HB LEU 60 7.262 -4.726 7.404 528 HG LEU 60 HG LEU 60 7.420 -2.113 6.608 529 HD11 LEU 60 1HD1 LEU 60 4.695 -2.276 7.897 530 HD12 LEU 60 2HD1 LEU 60 5.039 -1.847 6.220 531 HD13 LEU 60 3HD1 LEU 60 5.591 -0.801 7.523 532 HD21 LEU 60 3HD2 LEU 60 7.529 -1.482 8.962 533 HD22 LEU 60 1HD2 LEU 60 8.373 -3.001 8.650 534 HD23 LEU 60 2HD2 LEU 60 6.781 -3.014 9.423 535 H GLN 61 H GLN 61 9.020 -5.158 6.159 536 HA GLN 61 HA GLN 61 10.682 -2.946 5.528 537 HB2 GLN 61 2HB GLN 61 11.436 -5.816 6.220 538 HB3 GLN 61 3HB GLN 61 12.525 -4.431 6.278 539 HG2 GLN 61 2HG GLN 61 11.158 -3.427 8.075 540 HG3 GLN 61 3HG GLN 61 10.050 -4.797 7.996 541 HE21 GLN 61 1HE2 GLN 61 10.389 -5.447 10.109 542 HE22 GLN 61 2HE2 GLN 61 11.876 -6.114 10.673 543 H LYS 62 H LYS 62 9.563 -5.625 3.687 544 HA LYS 62 HA LYS 62 11.781 -5.692 1.829 545 HB2 LYS 62 2HB LYS 62 10.493 -7.742 2.439 546 HB3 LYS 62 3HB LYS 62 9.083 -7.096 1.603 547 HG2 LYS 62 2HG LYS 62 10.126 -7.293 -0.533 548 HG3 LYS 62 3HG LYS 62 11.730 -7.480 0.181 549 HD2 LYS 62 2HD LYS 62 10.975 -9.693 1.141 550 HD3 LYS 62 3HD LYS 62 9.464 -9.514 0.245 551 HE2 LYS 62 2HE LYS 62 10.583 -9.679 -1.860 552 HE3 LYS 62 3HE LYS 62 12.166 -9.440 -1.120 553 HZ1 LYS 62 3HZ LYS 62 11.932 -11.581 -0.017 554 HZ2 LYS 62 1HZ LYS 62 11.830 -11.744 -1.695 555 HZ3 LYS 62 2HZ LYS 62 10.435 -11.819 -0.752 556 H ILE 63 H ILE 63 8.368 -4.533 1.703 557 HA ILE 63 HA ILE 63 8.549 -3.411 -0.911 558 HB ILE 63 HB ILE 63 6.647 -2.962 1.415 559 HG12 ILE 63 2HG1 ILE 63 4.909 -3.689 -0.257 560 HG13 ILE 63 3HG1 ILE 63 6.164 -3.843 -1.477 561 HG21 ILE 63 1HG2 ILE 63 5.327 -1.314 0.089 562 HG22 ILE 63 2HG2 ILE 63 6.628 -1.251 -1.100 563 HG23 ILE 63 3HG2 ILE 63 6.917 -0.692 0.548 564 HD11 ILE 63 3HD1 ILE 63 5.876 -5.511 1.021 565 HD12 ILE 63 1HD1 ILE 63 7.179 -5.663 -0.161 566 HD13 ILE 63 2HD1 ILE 63 5.515 -6.004 -0.633 567 H LYS 64 H LYS 64 9.227 -2.166 2.322 568 HA LYS 64 HA LYS 64 9.883 0.492 1.939 569 HB2 LYS 64 2HB LYS 64 9.777 -0.490 4.147 570 HB3 LYS 64 3HB LYS 64 11.037 -1.646 3.761 571 HG2 LYS 64 2HG LYS 64 12.051 -0.112 5.213 572 HG3 LYS 64 3HG LYS 64 12.639 0.339 3.612 573 HD2 LYS 64 2HD LYS 64 11.013 2.201 3.538 574 HD3 LYS 64 3HD LYS 64 10.385 1.723 5.120 575 HE2 LYS 64 2HE LYS 64 12.674 2.115 6.078 576 HE3 LYS 64 3HE LYS 64 13.186 2.719 4.505 577 HZ1 LYS 64 3HZ LYS 64 12.587 4.470 6.093 578 HZ2 LYS 64 1HZ LYS 64 10.999 3.899 6.126 579 HZ3 LYS 64 2HZ LYS 64 11.643 4.525 4.697 580 H GLN 65 H GLN 65 12.210 -2.225 1.922 581 HA GLN 65 HA GLN 65 14.412 -0.634 1.023 582 HB2 GLN 65 2HB GLN 65 14.116 -3.663 1.116 583 HB3 GLN 65 3HB GLN 65 15.631 -2.803 0.849 584 HG2 GLN 65 2HG GLN 65 15.463 -1.786 3.086 585 HG3 GLN 65 3HG GLN 65 13.936 -2.624 3.356 586 HE21 GLN 65 1HE2 GLN 65 14.622 -3.825 5.098 587 HE22 GLN 65 2HE2 GLN 65 15.827 -5.059 4.997 588 H GLU 66 H GLU 66 12.471 -3.151 -0.652 589 HA GLU 66 HA GLU 66 14.111 -3.102 -2.983 590 HB2 GLU 66 2HB GLU 66 11.357 -4.356 -2.651 591 HB3 GLU 66 3HB GLU 66 12.496 -4.695 -3.949 592 HG2 GLU 66 2HG GLU 66 12.776 -5.392 -1.019 593 HG3 GLU 66 3HG GLU 66 12.578 -6.504 -2.371 594 H ALA 67 H ALA 67 10.889 -1.670 -2.266 595 HA ALA 67 HA ALA 67 10.646 -0.619 -4.988 596 HB1 ALA 67 3HB ALA 67 8.645 -1.467 -3.843 597 HB2 ALA 67 1HB ALA 67 8.468 0.239 -4.258 598 HB3 ALA 67 2HB ALA 67 8.821 -0.234 -2.592 599 H ASN 68 H ASN 68 11.796 0.426 -1.887 600 HA ASN 68 HA ASN 68 12.980 2.234 -1.189 601 HB2 ASN 68 2HB ASN 68 13.149 2.933 -4.161 602 HB3 ASN 68 3HB ASN 68 14.103 3.692 -2.888 603 HD21 ASN 68 1HD2 ASN 68 13.638 0.794 -4.764 604 HD22 ASN 68 2HD2 ASN 68 15.117 0.031 -4.313 605 H VAL 69 H VAL 69 10.304 2.471 -0.834 606 HA VAL 69 HA VAL 69 9.575 5.247 -1.623 607 HB VAL 69 HB VAL 69 7.151 4.441 -1.689 608 HG11 VAL 69 1HG1 VAL 69 7.308 3.580 -3.981 609 HG12 VAL 69 2HG1 VAL 69 9.029 3.258 -3.762 610 HG13 VAL 69 3HG1 VAL 69 8.429 4.919 -3.738 611 HG21 VAL 69 3HG2 VAL 69 7.417 2.327 -0.462 612 HG22 VAL 69 1HG2 VAL 69 8.475 1.695 -1.727 613 HG23 VAL 69 2HG2 VAL 69 6.770 2.004 -2.071 614 H GLN 70 H GLN 70 7.954 6.271 -0.267 615 HA GLN 70 HA GLN 70 8.582 6.053 2.510 616 HB2 GLN 70 2HB GLN 70 6.536 7.763 1.025 617 HB3 GLN 70 3HB GLN 70 6.788 7.855 2.766 618 HG2 GLN 70 2HG GLN 70 7.985 9.668 1.740 619 HG3 GLN 70 3HG GLN 70 9.161 8.513 2.352 620 HE21 GLN 70 1HE2 GLN 70 10.508 7.455 0.885 621 HE22 GLN 70 2HE2 GLN 70 10.578 7.864 -0.789 622 H VAL 71 H VAL 71 7.746 4.616 3.816 623 HA VAL 71 HA VAL 71 5.318 3.117 3.119 624 HB VAL 71 HB VAL 71 7.628 2.566 5.039 625 HG11 VAL 71 1HG1 VAL 71 6.593 0.360 5.501 626 HG12 VAL 71 2HG1 VAL 71 5.157 0.849 4.598 627 HG13 VAL 71 3HG1 VAL 71 5.590 1.690 6.085 628 HG21 VAL 71 3HG2 VAL 71 8.143 2.229 2.665 629 HG22 VAL 71 1HG2 VAL 71 6.733 1.180 2.483 630 HG23 VAL 71 2HG2 VAL 71 8.086 0.677 3.502 631 H TYR 72 H TYR 72 3.480 3.764 4.046 632 HA TYR 72 HA TYR 72 3.466 4.860 6.797 633 HB2 TYR 72 2HB TYR 72 1.371 5.079 4.577 634 HB3 TYR 72 3HB TYR 72 1.264 5.833 6.167 635 HD1 TYR 72 HD1 TYR 72 2.888 7.687 6.776 636 HD2 TYR 72 HD2 TYR 72 2.669 6.134 2.794 637 HE1 TYR 72 HE1 TYR 72 4.095 9.655 5.935 638 HE2 TYR 72 HE2 TYR 72 3.877 8.107 1.960 639 HH TYR 72 HH TYR 72 5.526 10.244 3.951 640 H ARG 73 H ARG 73 3.262 3.115 8.119 641 HA ARG 73 HA ARG 73 1.729 0.755 7.356 642 HB2 ARG 73 2HB ARG 73 3.975 0.837 8.745 643 HB3 ARG 73 3HB ARG 73 2.943 1.208 10.114 644 HG2 ARG 73 2HG ARG 73 2.790 -1.309 8.414 645 HG3 ARG 73 3HG ARG 73 3.563 -1.185 9.988 646 HD2 ARG 73 2HD ARG 73 0.598 -0.852 9.429 647 HD3 ARG 73 3HD ARG 73 1.366 -2.271 10.143 648 HE ARG 73 HE ARG 73 1.392 0.396 11.449 649 HH11 ARG 73 1HH1 ARG 73 0.900 -3.091 11.671 650 HH12 ARG 73 2HH1 ARG 73 0.609 -3.053 13.381 651 HH21 ARG 73 1HH2 ARG 73 0.955 0.416 13.689 652 HH22 ARG 73 2HH2 ARG 73 0.639 -1.079 14.516 653 H VAL 74 H VAL 74 -0.422 0.920 7.505 654 HA VAL 74 HA VAL 74 -1.667 2.460 9.716 655 HB VAL 74 HB VAL 74 -2.518 2.228 6.790 656 HG11 VAL 74 1HG1 VAL 74 -4.046 3.558 9.052 657 HG12 VAL 74 2HG1 VAL 74 -4.535 2.105 8.179 658 HG13 VAL 74 3HG1 VAL 74 -4.455 3.651 7.337 659 HG21 VAL 74 3HG2 VAL 74 -2.261 4.688 6.761 660 HG22 VAL 74 1HG2 VAL 74 -0.746 3.887 7.197 661 HG23 VAL 74 2HG2 VAL 74 -1.729 4.657 8.446 662 H THR 75 H THR 75 -3.355 1.514 10.768 663 HA THR 75 HA THR 75 -4.460 -1.085 9.872 664 HB THR 75 HB THR 75 -4.646 -1.652 12.363 665 HG1 THR 75 HG1 THR 75 -4.078 0.763 12.801 666 HG21 THR 75 3HG2 THR 75 -1.810 -1.322 11.288 667 HG22 THR 75 1HG2 THR 75 -2.868 -2.716 11.013 668 HG23 THR 75 2HG2 THR 75 -2.280 -2.357 12.634 669 H SER 76 H SER 76 -5.098 2.140 10.655 670 HA SER 76 HA SER 76 -7.924 1.629 11.405 671 HB2 SER 76 2HB SER 76 -6.133 3.774 12.640 672 HB3 SER 76 3HB SER 76 -7.805 3.418 13.075 673 HG SER 76 HG SER 76 -6.789 2.270 14.543 674 H ASN 77 H ASN 77 -9.385 3.405 10.856 675 HA ASN 77 HA ASN 77 -9.050 4.181 8.184 676 HB2 ASN 77 2HB ASN 77 -11.212 5.387 8.423 677 HB3 ASN 77 3HB ASN 77 -11.274 3.779 9.125 678 HD21 ASN 77 1HD2 ASN 77 -11.225 7.210 9.849 679 HD22 ASN 77 2HD2 ASN 77 -11.767 7.067 11.478 680 H ASP 78 H ASP 78 -8.524 6.006 11.147 681 HA ASP 78 HA ASP 78 -8.628 8.636 10.169 682 HB2 ASP 78 2HB ASP 78 -8.746 8.033 12.584 683 HB3 ASP 78 3HB ASP 78 -7.047 7.570 12.562 684 H GLU 79 H GLU 79 -5.789 6.541 10.791 685 HA GLU 79 HA GLU 79 -3.798 8.396 10.100 686 HB2 GLU 79 2HB GLU 79 -3.758 5.354 10.093 687 HB3 GLU 79 3HB GLU 79 -2.322 6.346 9.874 688 HG2 GLU 79 2HG GLU 79 -4.086 6.327 12.336 689 HG3 GLU 79 3HG GLU 79 -2.541 5.499 12.171 690 H LEU 80 H LEU 80 -5.518 6.000 8.174 691 HA LEU 80 HA LEU 80 -4.049 6.129 5.776 692 HB2 LEU 80 2HB LEU 80 -6.114 4.597 6.701 693 HB3 LEU 80 3HB LEU 80 -7.015 5.654 5.635 694 HG LEU 80 HG LEU 80 -4.840 3.662 4.913 695 HD11 LEU 80 1HD1 LEU 80 -7.057 2.752 5.175 696 HD12 LEU 80 2HD1 LEU 80 -6.602 2.732 3.474 697 HD13 LEU 80 3HD1 LEU 80 -7.724 3.957 4.074 698 HD21 LEU 80 3HD2 LEU 80 -4.322 5.623 3.565 699 HD22 LEU 80 1HD2 LEU 80 -6.004 5.761 3.048 700 HD23 LEU 80 2HD2 LEU 80 -5.031 4.375 2.544 701 H GLU 81 H GLU 81 -7.055 7.755 6.789 702 HA GLU 81 HA GLU 81 -7.522 9.360 4.542 703 HB2 GLU 81 2HB GLU 81 -8.275 9.761 7.465 704 HB3 GLU 81 3HB GLU 81 -8.863 10.810 6.176 705 HG2 GLU 81 2HG GLU 81 -10.027 8.960 5.126 706 HG3 GLU 81 3HG GLU 81 -9.317 7.819 6.260 707 H GLN 82 H GLN 82 -5.508 9.858 7.376 708 HA GLN 82 HA GLN 82 -4.919 12.604 6.971 709 HB2 GLN 82 2HB GLN 82 -3.451 10.461 8.560 710 HB3 GLN 82 3HB GLN 82 -3.006 12.160 8.577 711 HG2 GLN 82 2HG GLN 82 -5.612 10.984 9.555 712 HG3 GLN 82 3HG GLN 82 -4.307 11.615 10.551 713 HE21 GLN 82 1HE2 GLN 82 -7.008 12.416 8.525 714 HE22 GLN 82 2HE2 GLN 82 -7.057 14.100 8.901 715 H VAL 83 H VAL 83 -3.297 9.601 5.930 716 HA VAL 83 HA VAL 83 -1.052 10.874 4.713 717 HB VAL 83 HB VAL 83 -2.233 8.123 4.098 718 HG11 VAL 83 1HG1 VAL 83 -0.828 8.869 2.228 719 HG12 VAL 83 2HG1 VAL 83 -0.003 7.593 3.123 720 HG13 VAL 83 3HG1 VAL 83 0.485 9.275 3.337 721 HG21 VAL 83 3HG2 VAL 83 -1.504 8.377 6.455 722 HG22 VAL 83 1HG2 VAL 83 0.098 8.875 5.909 723 HG23 VAL 83 2HG2 VAL 83 -0.480 7.238 5.582 724 H VAL 84 H VAL 84 -4.219 9.809 3.402 725 HA VAL 84 HA VAL 84 -3.750 10.368 0.676 726 HB VAL 84 HB VAL 84 -6.412 10.407 2.186 727 HG11 VAL 84 1HG1 VAL 84 -7.482 10.001 -0.021 728 HG12 VAL 84 2HG1 VAL 84 -5.916 10.185 -0.814 729 HG13 VAL 84 3HG1 VAL 84 -6.647 11.557 0.019 730 HG21 VAL 84 3HG2 VAL 84 -6.667 8.082 1.400 731 HG22 VAL 84 1HG2 VAL 84 -5.208 8.256 2.377 732 HG23 VAL 84 2HG2 VAL 84 -5.086 8.160 0.620 733 H LYS 85 H LYS 85 -5.014 12.419 3.288 734 HA LYS 85 HA LYS 85 -5.491 14.782 1.796 735 HB2 LYS 85 2HB LYS 85 -4.825 14.374 4.739 736 HB3 LYS 85 3HB LYS 85 -5.268 15.940 4.062 737 HG2 LYS 85 2HG LYS 85 -7.481 15.139 3.480 738 HG3 LYS 85 3HG LYS 85 -7.052 13.489 3.929 739 HD2 LYS 85 2HD LYS 85 -8.437 14.527 5.671 740 HD3 LYS 85 3HD LYS 85 -6.824 14.169 6.288 741 HE2 LYS 85 2HE LYS 85 -7.609 16.360 7.075 742 HE3 LYS 85 3HE LYS 85 -6.199 16.546 6.033 743 HZ1 LYS 85 3HZ LYS 85 -7.902 18.189 5.550 744 HZ2 LYS 85 1HZ LYS 85 -9.029 16.974 5.212 745 HZ3 LYS 85 2HZ LYS 85 -7.674 17.176 4.220 746 H ASP 86 H ASP 86 -2.551 13.370 3.080 747 HA ASP 86 HA ASP 86 -0.917 15.743 2.833 748 HB2 ASP 86 2HB ASP 86 -0.466 14.018 4.574 749 HB3 ASP 86 3HB ASP 86 -0.058 12.856 3.324 750 H VAL 87 H VAL 87 -1.668 12.958 0.843 751 HA VAL 87 HA VAL 87 0.455 13.246 -1.056 752 HB VAL 87 HB VAL 87 -2.265 11.906 -1.447 753 HG11 VAL 87 1HG1 VAL 87 -1.101 10.514 -3.151 754 HG12 VAL 87 2HG1 VAL 87 0.354 11.489 -2.937 755 HG13 VAL 87 3HG1 VAL 87 -1.109 12.225 -3.588 756 HG21 VAL 87 3HG2 VAL 87 -1.162 10.969 0.510 757 HG22 VAL 87 1HG2 VAL 87 0.328 10.734 -0.392 758 HG23 VAL 87 2HG2 VAL 87 -1.108 9.801 -0.802 759 H LYS 88 H LYS 88 -2.458 14.977 -0.491 760 HA LYS 88 HA LYS 88 -2.770 16.098 -3.132 761 HB2 LYS 88 2HB LYS 88 -3.936 17.132 -0.515 762 HB3 LYS 88 3HB LYS 88 -4.482 17.524 -2.142 763 HG2 LYS 88 2HG LYS 88 -4.729 14.868 -0.710 764 HG3 LYS 88 3HG LYS 88 -6.033 15.962 -1.176 765 HD2 LYS 88 2HD LYS 88 -5.440 15.530 -3.591 766 HD3 LYS 88 3HD LYS 88 -4.263 14.330 -3.042 767 HE2 LYS 88 2HE LYS 88 -6.345 13.235 -3.709 768 HE3 LYS 88 3HE LYS 88 -6.102 13.047 -1.971 769 HZ1 LYS 88 3HZ LYS 88 -7.646 14.875 -1.602 770 HZ2 LYS 88 1HZ LYS 88 -8.383 13.634 -2.479 771 HZ3 LYS 88 2HZ LYS 88 -7.887 15.040 -3.267 772 H GLY 89 H GLY 89 -0.647 16.723 -0.516 773 HA2 GLY 89 2HA GLY 89 0.989 18.497 -1.847 774 HA3 GLY 89 3HA GLY 89 -0.135 19.520 -0.957 775 H SER 90 H SER 90 -0.192 19.400 1.325 776 HA SER 90 HA SER 90 1.673 17.723 2.796 777 HB2 SER 90 2HB SER 90 1.855 20.773 2.934 778 HB3 SER 90 3HB SER 90 2.696 19.658 4.014 779 HG SER 90 HG SER 90 3.568 18.775 1.915 780 H GLY 91 H GLY 91 -0.071 16.788 3.746 781 HA2 GLY 91 2HA GLY 91 -2.175 18.432 5.024 782 HA3 GLY 91 3HA GLY 91 -2.334 16.754 4.529 783 H LEU 92 H LEU 92 0.085 15.759 5.649 784 HA LEU 92 HA LEU 92 -0.562 15.451 8.416 785 HB2 LEU 92 2HB LEU 92 1.874 14.636 6.782 786 HB3 LEU 92 3HB LEU 92 1.741 14.290 8.498 787 HG LEU 92 HG LEU 92 -0.152 13.232 6.359 788 HD11 LEU 92 1HD1 LEU 92 2.072 12.212 6.156 789 HD12 LEU 92 2HD1 LEU 92 0.886 11.047 6.736 790 HD13 LEU 92 3HD1 LEU 92 2.040 11.765 7.864 791 HD21 LEU 92 3HD2 LEU 92 -1.019 11.787 8.158 792 HD22 LEU 92 1HD2 LEU 92 -1.281 13.497 8.497 793 HD23 LEU 92 2HD2 LEU 92 0.010 12.622 9.325 794 H GLU 93 H GLU 93 -0.645 17.756 8.946 795 HA GLU 93 HA GLU 93 1.806 19.297 8.951 796 HB2 GLU 93 2HB GLU 93 -0.374 20.392 8.485 797 HB3 GLU 93 3HB GLU 93 -0.940 19.967 10.094 798 HG2 GLU 93 2HG GLU 93 -0.300 22.311 10.003 799 HG3 GLU 93 3HG GLU 93 0.760 21.432 11.095 800 H HIS 94 H HIS 94 3.023 17.852 10.149 801 HA HIS 94 HA HIS 94 2.751 18.025 13.077 802 HB2 HIS 94 2HB HIS 94 1.949 15.767 12.330 803 HB3 HIS 94 3HB HIS 94 3.477 15.504 11.496 804 HD1 HIS 94 HD1 HIS 94 5.296 14.416 12.833 805 HD2 HIS 94 HD2 HIS 94 2.291 15.936 15.273 806 HE1 HIS 94 HE1 HIS 94 5.847 13.628 15.152 807 HE2 HIS 94 HE2 HIS 94 3.959 14.461 16.583 808 H HIS 95 H HIS 95 4.115 19.859 12.089 809 HA HIS 95 HA HIS 95 6.889 19.251 11.447 810 HB2 HIS 95 2HB HIS 95 5.506 21.152 10.417 811 HB3 HIS 95 3HB HIS 95 5.592 21.974 11.969 812 HD1 HIS 95 HD1 HIS 95 7.463 21.373 8.848 813 HD2 HIS 95 HD2 HIS 95 8.246 22.959 12.609 814 HE1 HIS 95 HE1 HIS 95 9.599 22.661 8.608 815 HE2 HIS 95 HE2 HIS 95 9.913 23.792 10.828 816 H HIS 96 H HIS 96 7.200 18.068 13.485 817 HA HIS 96 HA HIS 96 7.462 19.735 15.931 818 HB2 HIS 96 2HB HIS 96 5.821 17.776 15.940 819 HB3 HIS 96 3HB HIS 96 7.198 16.697 15.789 820 HD1 HIS 96 HD1 HIS 96 5.299 18.731 18.252 821 HD2 HIS 96 HD2 HIS 96 8.812 16.515 18.189 822 HE1 HIS 96 HE1 HIS 96 5.906 18.354 20.654 823 HE2 HIS 96 HE2 HIS 96 7.932 16.883 20.583 824 H HIS 97 H HIS 97 9.233 18.001 13.554 825 HA HIS 97 HA HIS 97 11.499 17.162 15.052 826 HB2 HIS 97 2HB HIS 97 10.870 16.386 12.709 827 HB3 HIS 97 3HB HIS 97 11.436 17.930 12.096 828 HD1 HIS 97 HD1 HIS 97 12.499 14.600 12.330 829 HD2 HIS 97 HD2 HIS 97 14.408 18.234 12.996 830 HE1 HIS 97 HE1 HIS 97 14.952 14.127 12.103 831 HE2 HIS 97 HE2 HIS 97 16.064 16.371 12.338 832 H HIS 98 H HIS 98 10.732 20.163 13.302 833 HA HIS 98 HA HIS 98 13.073 21.536 14.461 834 HB2 HIS 98 2HB HIS 98 11.051 22.367 12.339 835 HB3 HIS 98 3HB HIS 98 12.186 23.511 13.054 836 HD1 HIS 98 HD1 HIS 98 13.324 23.884 10.759 837 HD2 HIS 98 HD2 HIS 98 13.548 19.958 12.120 838 HE1 HIS 98 HE1 HIS 98 14.993 22.741 9.269 839 HE2 HIS 98 HE2 HIS 98 15.004 20.356 10.039 840 H HIS 99 H HIS 99 12.843 22.506 16.354 841 HA HIS 99 HA HIS 99 10.386 23.827 17.199 842 HB2 HIS 99 2HB HIS 99 10.413 22.544 19.401 843 HB3 HIS 99 3HB HIS 99 9.933 21.590 18.004 844 HD1 HIS 99 HD1 HIS 99 12.680 21.937 20.530 845 HD2 HIS 99 HD2 HIS 99 11.713 19.491 17.318 846 HE1 HIS 99 HE1 HIS 99 14.233 19.978 20.680 847 HE2 HIS 99 HE2 HIS 99 13.499 18.431 18.848 Start of MODEL 14 1 H1 MET 1 1H MET 1 4.595 14.925 -4.722 2 H2 MET 1 2H MET 1 4.176 13.457 -4.002 3 H3 MET 1 3H MET 1 3.203 14.107 -5.219 4 HA MET 1 HA MET 1 4.934 13.844 -6.821 5 HB2 MET 1 2HB MET 1 6.878 14.109 -5.351 6 HB3 MET 1 3HB MET 1 6.463 12.647 -4.466 7 HG2 MET 1 2HG MET 1 8.342 12.235 -5.983 8 HG3 MET 1 3HG MET 1 6.937 11.291 -6.473 9 HE1 MET 1 3HE MET 1 8.392 15.081 -8.690 10 HE2 MET 1 1HE MET 1 9.194 14.416 -7.270 11 HE3 MET 1 2HE MET 1 7.610 15.178 -7.111 12 H GLY 2 H GLY 2 3.897 12.383 -8.050 13 HA2 GLY 2 2HA GLY 2 3.214 10.372 -8.888 14 HA3 GLY 2 3HA GLY 2 4.036 9.578 -7.555 15 H ARG 3 H ARG 3 2.119 8.199 -7.963 16 HA ARG 3 HA ARG 3 -0.459 8.999 -6.861 17 HB2 ARG 3 2HB ARG 3 -1.235 6.840 -7.600 18 HB3 ARG 3 3HB ARG 3 -0.164 7.431 -8.868 19 HG2 ARG 3 2HG ARG 3 1.663 6.009 -7.993 20 HG3 ARG 3 3HG ARG 3 0.601 5.424 -6.716 21 HD2 ARG 3 2HD ARG 3 -0.890 4.463 -8.500 22 HD3 ARG 3 3HD ARG 3 0.337 4.923 -9.693 23 HE ARG 3 HE ARG 3 1.616 3.487 -7.693 24 HH11 ARG 3 1HH1 ARG 3 -0.843 2.785 -10.088 25 HH12 ARG 3 2HH1 ARG 3 -0.402 1.109 -10.203 26 HH21 ARG 3 1HH2 ARG 3 2.195 1.353 -7.853 27 HH22 ARG 3 2HH2 ARG 3 1.334 0.297 -8.925 28 H LEU 4 H LEU 4 -1.450 7.696 -5.085 29 HA LEU 4 HA LEU 4 0.497 6.598 -3.154 30 HB2 LEU 4 2HB LEU 4 -1.114 8.304 -2.324 31 HB3 LEU 4 3HB LEU 4 -2.445 7.247 -2.757 32 HG LEU 4 HG LEU 4 -1.740 5.588 -1.062 33 HD11 LEU 4 1HD1 LEU 4 0.543 7.484 -0.434 34 HD12 LEU 4 2HD1 LEU 4 0.677 5.882 -1.162 35 HD13 LEU 4 3HD1 LEU 4 0.112 6.045 0.496 36 HD21 LEU 4 3HD2 LEU 4 -1.823 8.369 0.143 37 HD22 LEU 4 1HD2 LEU 4 -2.197 6.850 0.966 38 HD23 LEU 4 2HD2 LEU 4 -3.233 7.416 -0.344 39 H VAL 5 H VAL 5 0.650 4.451 -2.860 40 HA VAL 5 HA VAL 5 -1.409 2.632 -3.979 41 HB VAL 5 HB VAL 5 1.476 1.988 -3.181 42 HG11 VAL 5 1HG1 VAL 5 -0.605 0.219 -4.532 43 HG12 VAL 5 2HG1 VAL 5 -0.001 0.034 -2.884 44 HG13 VAL 5 3HG1 VAL 5 1.083 -0.221 -4.253 45 HG21 VAL 5 3HG2 VAL 5 1.919 1.743 -5.599 46 HG22 VAL 5 1HG2 VAL 5 1.393 3.384 -5.211 47 HG23 VAL 5 2HG2 VAL 5 0.266 2.250 -5.959 48 H VAL 6 H VAL 6 -2.815 1.908 -2.459 49 HA VAL 6 HA VAL 6 -1.946 1.647 0.355 50 HB VAL 6 HB VAL 6 -4.780 1.506 -0.781 51 HG11 VAL 6 1HG1 VAL 6 -4.542 0.198 1.297 52 HG12 VAL 6 2HG1 VAL 6 -5.503 1.648 1.599 53 HG13 VAL 6 3HG1 VAL 6 -3.815 1.589 2.110 54 HG21 VAL 6 3HG2 VAL 6 -5.112 3.754 0.225 55 HG22 VAL 6 1HG2 VAL 6 -3.858 3.785 -1.020 56 HG23 VAL 6 2HG2 VAL 6 -3.409 3.800 0.688 57 H VAL 7 H VAL 7 -0.910 -0.251 0.435 58 HA VAL 7 HA VAL 7 -1.904 -2.693 -0.768 59 HB VAL 7 HB VAL 7 0.436 -2.171 1.110 60 HG11 VAL 7 1HG1 VAL 7 -0.280 -4.504 1.336 61 HG12 VAL 7 2HG1 VAL 7 1.260 -4.427 0.477 62 HG13 VAL 7 3HG1 VAL 7 -0.236 -4.711 -0.416 63 HG21 VAL 7 3HG2 VAL 7 0.693 -1.073 -1.090 64 HG22 VAL 7 1HG2 VAL 7 0.436 -2.626 -1.897 65 HG23 VAL 7 2HG2 VAL 7 1.862 -2.379 -0.880 66 H VAL 8 H VAL 8 -3.203 -4.076 0.214 67 HA VAL 8 HA VAL 8 -3.530 -4.140 3.160 68 HB VAL 8 HB VAL 8 -5.964 -4.679 2.811 69 HG11 VAL 8 1HG1 VAL 8 -6.747 -2.384 2.303 70 HG12 VAL 8 2HG1 VAL 8 -5.151 -1.976 1.665 71 HG13 VAL 8 3HG1 VAL 8 -5.343 -2.364 3.376 72 HG21 VAL 8 3HG2 VAL 8 -7.033 -4.245 0.619 73 HG22 VAL 8 1HG2 VAL 8 -5.838 -5.535 0.498 74 HG23 VAL 8 2HG2 VAL 8 -5.455 -3.918 -0.097 75 H THR 9 H THR 9 -4.032 -6.269 3.934 76 HA THR 9 HA THR 9 -3.627 -8.508 2.020 77 HB THR 9 HB THR 9 -2.760 -9.838 3.940 78 HG1 THR 9 HG1 THR 9 -2.553 -7.497 5.487 79 HG21 THR 9 3HG2 THR 9 -0.586 -8.695 4.227 80 HG22 THR 9 1HG2 THR 9 -1.279 -7.194 3.611 81 HG23 THR 9 2HG2 THR 9 -1.115 -8.594 2.546 82 H SER 10 H SER 10 -6.045 -6.925 3.268 83 HA SER 10 HA SER 10 -7.737 -9.302 3.760 84 HB2 SER 10 2HB SER 10 -7.464 -8.090 5.881 85 HB3 SER 10 3HB SER 10 -7.873 -6.561 5.108 86 HG SER 10 HG SER 10 -9.497 -8.531 6.068 87 H GLU 11 H GLU 11 -9.337 -9.464 2.285 88 HA GLU 11 HA GLU 11 -9.891 -7.672 0.194 89 HB2 GLU 11 2HB GLU 11 -11.632 -9.869 1.394 90 HB3 GLU 11 3HB GLU 11 -11.995 -9.042 -0.122 91 HG2 GLU 11 2HG GLU 11 -9.956 -9.913 -1.132 92 HG3 GLU 11 3HG GLU 11 -9.488 -10.668 0.393 93 H GLN 12 H GLN 12 -11.275 -7.999 3.406 94 HA GLN 12 HA GLN 12 -13.522 -6.309 3.187 95 HB2 GLN 12 2HB GLN 12 -11.786 -6.914 5.623 96 HB3 GLN 12 3HB GLN 12 -13.394 -6.188 5.677 97 HG2 GLN 12 2HG GLN 12 -14.357 -8.243 4.722 98 HG3 GLN 12 3HG GLN 12 -12.755 -8.974 4.656 99 HE21 GLN 12 1HE2 GLN 12 -11.902 -7.926 7.254 100 HE22 GLN 12 2HE2 GLN 12 -12.767 -8.821 8.444 101 H LEU 13 H LEU 13 -10.129 -5.648 4.003 102 HA LEU 13 HA LEU 13 -10.547 -2.811 4.422 103 HB2 LEU 13 2HB LEU 13 -8.026 -4.503 4.283 104 HB3 LEU 13 3HB LEU 13 -8.023 -2.778 4.632 105 HG LEU 13 HG LEU 13 -9.380 -4.910 6.345 106 HD11 LEU 13 1HD1 LEU 13 -7.646 -4.464 8.008 107 HD12 LEU 13 2HD1 LEU 13 -6.848 -3.342 6.901 108 HD13 LEU 13 3HD1 LEU 13 -6.945 -5.060 6.504 109 HD21 LEU 13 3HD2 LEU 13 -10.586 -2.788 6.474 110 HD22 LEU 13 1HD2 LEU 13 -9.087 -1.924 6.827 111 HD23 LEU 13 2HD2 LEU 13 -9.732 -3.095 7.983 112 H LYS 14 H LYS 14 -9.770 -4.879 1.727 113 HA LYS 14 HA LYS 14 -8.625 -2.962 -0.026 114 HB2 LYS 14 2HB LYS 14 -8.462 -5.381 -0.474 115 HB3 LYS 14 3HB LYS 14 -10.212 -5.485 -0.664 116 HG2 LYS 14 2HG LYS 14 -10.058 -3.979 -2.652 117 HG3 LYS 14 3HG LYS 14 -8.299 -3.962 -2.470 118 HD2 LYS 14 2HD LYS 14 -8.279 -6.440 -2.801 119 HD3 LYS 14 3HD LYS 14 -10.023 -6.404 -3.058 120 HE2 LYS 14 2HE LYS 14 -9.739 -5.038 -5.051 121 HE3 LYS 14 3HE LYS 14 -8.005 -4.903 -4.760 122 HZ1 LYS 14 3HZ LYS 14 -9.470 -7.407 -5.392 123 HZ2 LYS 14 1HZ LYS 14 -7.813 -7.286 -5.088 124 HZ3 LYS 14 2HZ LYS 14 -8.475 -6.535 -6.444 125 H GLU 15 H GLU 15 -11.939 -4.318 0.066 126 HA GLU 15 HA GLU 15 -13.129 -2.527 -1.742 127 HB2 GLU 15 2HB GLU 15 -15.300 -3.330 -0.852 128 HB3 GLU 15 3HB GLU 15 -14.190 -4.664 -1.150 129 HG2 GLU 15 2HG GLU 15 -13.737 -4.927 1.195 130 HG3 GLU 15 3HG GLU 15 -14.589 -3.440 1.593 131 H GLU 16 H GLU 16 -12.457 -2.286 1.697 132 HA GLU 16 HA GLU 16 -14.152 -0.171 2.442 133 HB2 GLU 16 2HB GLU 16 -12.909 -1.639 4.029 134 HB3 GLU 16 3HB GLU 16 -11.395 -0.908 3.520 135 HG2 GLU 16 2HG GLU 16 -12.063 0.002 5.665 136 HG3 GLU 16 3HG GLU 16 -12.141 1.267 4.437 137 H VAL 17 H VAL 17 -10.643 -0.042 1.662 138 HA VAL 17 HA VAL 17 -10.482 2.783 1.635 139 HB VAL 17 HB VAL 17 -8.564 0.781 0.354 140 HG11 VAL 17 1HG1 VAL 17 -8.090 3.680 1.170 141 HG12 VAL 17 2HG1 VAL 17 -8.183 3.077 -0.486 142 HG13 VAL 17 3HG1 VAL 17 -6.858 2.571 0.561 143 HG21 VAL 17 3HG2 VAL 17 -7.275 0.928 2.456 144 HG22 VAL 17 1HG2 VAL 17 -8.915 0.354 2.778 145 HG23 VAL 17 2HG2 VAL 17 -8.480 2.026 3.136 146 H ARG 18 H ARG 18 -11.088 0.438 -0.999 147 HA ARG 18 HA ARG 18 -10.897 2.284 -3.153 148 HB2 ARG 18 2HB ARG 18 -12.463 -0.327 -3.007 149 HB3 ARG 18 3HB ARG 18 -12.176 0.597 -4.484 150 HG2 ARG 18 2HG ARG 18 -9.705 0.277 -4.095 151 HG3 ARG 18 3HG ARG 18 -10.114 -0.826 -2.780 152 HD2 ARG 18 2HD ARG 18 -10.813 -1.142 -5.713 153 HD3 ARG 18 3HD ARG 18 -9.638 -2.088 -4.800 154 HE ARG 18 HE ARG 18 -12.118 -2.377 -3.538 155 HH11 ARG 18 1HH1 ARG 18 -10.698 -3.217 -6.655 156 HH12 ARG 18 2HH1 ARG 18 -11.730 -4.599 -6.881 157 HH21 ARG 18 1HH2 ARG 18 -13.444 -4.199 -3.855 158 HH22 ARG 18 2HH2 ARG 18 -13.282 -5.152 -5.294 159 H LYS 19 H LYS 19 -13.602 1.273 -1.097 160 HA LYS 19 HA LYS 19 -15.715 2.522 -2.535 161 HB2 LYS 19 2HB LYS 19 -16.089 0.719 -0.874 162 HB3 LYS 19 3HB LYS 19 -15.505 1.762 0.407 163 HG2 LYS 19 2HG LYS 19 -17.826 1.809 0.693 164 HG3 LYS 19 3HG LYS 19 -17.507 3.308 -0.172 165 HD2 LYS 19 2HD LYS 19 -18.373 0.771 -1.611 166 HD3 LYS 19 3HD LYS 19 -19.542 1.886 -0.911 167 HE2 LYS 19 2HE LYS 19 -18.710 3.691 -2.375 168 HE3 LYS 19 3HE LYS 19 -17.519 2.587 -3.069 169 HZ1 LYS 19 3HZ LYS 19 -19.473 2.801 -4.466 170 HZ2 LYS 19 1HZ LYS 19 -20.460 2.255 -3.209 171 HZ3 LYS 19 2HZ LYS 19 -19.313 1.219 -3.892 172 H LYS 20 H LYS 20 -13.561 3.560 0.044 173 HA LYS 20 HA LYS 20 -14.810 6.134 0.449 174 HB2 LYS 20 2HB LYS 20 -12.118 5.050 1.395 175 HB3 LYS 20 3HB LYS 20 -12.878 6.539 1.963 176 HG2 LYS 20 2HG LYS 20 -14.752 5.251 2.894 177 HG3 LYS 20 3HG LYS 20 -14.045 3.755 2.285 178 HD2 LYS 20 2HD LYS 20 -13.565 3.923 4.643 179 HD3 LYS 20 3HD LYS 20 -12.057 4.143 3.753 180 HE2 LYS 20 2HE LYS 20 -12.125 6.543 4.134 181 HE3 LYS 20 3HE LYS 20 -13.739 6.428 4.843 182 HZ1 LYS 20 3HZ LYS 20 -12.776 5.043 6.609 183 HZ2 LYS 20 1HZ LYS 20 -12.126 6.600 6.572 184 HZ3 LYS 20 2HZ LYS 20 -11.236 5.299 5.965 185 H PHE 21 H PHE 21 -12.021 4.856 -1.324 186 HA PHE 21 HA PHE 21 -11.545 7.432 -2.680 187 HB2 PHE 21 2HB PHE 21 -9.228 5.779 -1.581 188 HB3 PHE 21 3HB PHE 21 -9.157 7.381 -2.303 189 HD1 PHE 21 HD1 PHE 21 -10.378 9.312 -1.013 190 HD2 PHE 21 HD2 PHE 21 -9.323 5.559 0.764 191 HE1 PHE 21 HE1 PHE 21 -10.517 10.317 1.226 192 HE2 PHE 21 HE2 PHE 21 -9.470 6.589 2.988 193 HZ PHE 21 HZ PHE 21 -10.050 8.953 3.218 194 HA PRO 22 HA PRO 22 -11.361 4.006 -5.819 195 HB2 PRO 22 2HB PRO 22 -12.797 5.886 -7.591 196 HB3 PRO 22 3HB PRO 22 -13.297 4.277 -7.039 197 HG2 PRO 22 2HG PRO 22 -14.553 6.534 -6.206 198 HG3 PRO 22 3HG PRO 22 -14.404 5.085 -5.187 199 HD2 PRO 22 2HD PRO 22 -12.748 7.613 -5.104 200 HD3 PRO 22 3HD PRO 22 -13.458 6.684 -3.759 201 H GLN 23 H GLN 23 -10.143 7.124 -5.437 202 HA GLN 23 HA GLN 23 -8.822 7.344 -8.046 203 HB2 GLN 23 2HB GLN 23 -8.132 9.604 -7.209 204 HB3 GLN 23 3HB GLN 23 -9.876 9.360 -7.237 205 HG2 GLN 23 2HG GLN 23 -9.781 8.866 -4.762 206 HG3 GLN 23 3HG GLN 23 -8.075 9.313 -4.791 207 HE21 GLN 23 1HE2 GLN 23 -10.376 10.521 -3.392 208 HE22 GLN 23 2HE2 GLN 23 -10.392 12.179 -3.870 209 H VAL 24 H VAL 24 -8.085 5.898 -5.081 210 HA VAL 24 HA VAL 24 -5.162 6.150 -5.546 211 HB VAL 24 HB VAL 24 -4.761 5.285 -3.302 212 HG11 VAL 24 1HG1 VAL 24 -6.805 7.538 -3.201 213 HG12 VAL 24 2HG1 VAL 24 -5.075 7.715 -3.502 214 HG13 VAL 24 3HG1 VAL 24 -5.640 7.144 -1.931 215 HG21 VAL 24 3HG2 VAL 24 -6.634 3.721 -3.058 216 HG22 VAL 24 1HG2 VAL 24 -7.781 5.058 -2.972 217 HG23 VAL 24 2HG2 VAL 24 -6.597 4.823 -1.681 218 H GLU 25 H GLU 25 -3.887 4.262 -5.690 219 HA GLU 25 HA GLU 25 -5.255 1.989 -6.920 220 HB2 GLU 25 2HB GLU 25 -2.342 2.868 -6.830 221 HB3 GLU 25 3HB GLU 25 -2.786 1.255 -7.372 222 HG2 GLU 25 2HG GLU 25 -2.452 2.784 -9.267 223 HG3 GLU 25 3HG GLU 25 -4.100 2.158 -9.200 224 H VAL 26 H VAL 26 -6.043 0.619 -5.462 225 HA VAL 26 HA VAL 26 -4.562 -0.054 -3.017 226 HB VAL 26 HB VAL 26 -7.378 -0.874 -3.889 227 HG11 VAL 26 1HG1 VAL 26 -7.715 -1.584 -1.538 228 HG12 VAL 26 2HG1 VAL 26 -6.035 -1.187 -1.170 229 HG13 VAL 26 3HG1 VAL 26 -6.404 -2.500 -2.289 230 HG21 VAL 26 3HG2 VAL 26 -8.168 0.812 -2.248 231 HG22 VAL 26 1HG2 VAL 26 -7.202 1.562 -3.525 232 HG23 VAL 26 2HG2 VAL 26 -6.498 1.284 -1.930 233 H ARG 27 H ARG 27 -3.524 -1.980 -2.770 234 HA ARG 27 HA ARG 27 -3.735 -4.047 -4.887 235 HB2 ARG 27 2HB ARG 27 -1.238 -3.035 -3.451 236 HB3 ARG 27 3HB ARG 27 -1.273 -4.467 -4.476 237 HG2 ARG 27 2HG ARG 27 -1.870 -1.629 -5.393 238 HG3 ARG 27 3HG ARG 27 -0.360 -2.506 -5.661 239 HD2 ARG 27 2HD ARG 27 -1.519 -4.143 -7.060 240 HD3 ARG 27 3HD ARG 27 -3.078 -3.382 -6.717 241 HE ARG 27 HE ARG 27 -0.934 -2.340 -8.440 242 HH11 ARG 27 1HH1 ARG 27 -4.191 -1.916 -7.153 243 HH12 ARG 27 2HH1 ARG 27 -4.609 -0.708 -8.318 244 HH21 ARG 27 1HH2 ARG 27 -1.514 -0.766 -9.940 245 HH22 ARG 27 2HH2 ARG 27 -3.095 -0.053 -9.900 246 H LEU 28 H LEU 28 -4.616 -5.796 -4.021 247 HA LEU 28 HA LEU 28 -4.427 -6.455 -1.188 248 HB2 LEU 28 2HB LEU 28 -6.590 -6.716 -2.285 249 HB3 LEU 28 3HB LEU 28 -5.887 -7.750 -3.518 250 HG LEU 28 HG LEU 28 -5.367 -9.451 -1.691 251 HD11 LEU 28 1HD1 LEU 28 -6.558 -9.287 0.450 252 HD12 LEU 28 2HD1 LEU 28 -7.107 -7.662 0.024 253 HD13 LEU 28 3HD1 LEU 28 -5.385 -7.984 0.245 254 HD21 LEU 28 3HD2 LEU 28 -7.639 -10.336 -1.561 255 HD22 LEU 28 1HD2 LEU 28 -7.283 -9.731 -3.179 256 HD23 LEU 28 2HD2 LEU 28 -8.293 -8.780 -2.085 257 H VAL 29 H VAL 29 -2.495 -7.330 -0.673 258 HA VAL 29 HA VAL 29 -1.062 -9.134 -2.446 259 HB VAL 29 HB VAL 29 -0.418 -8.001 0.316 260 HG11 VAL 29 1HG1 VAL 29 1.826 -9.057 0.132 261 HG12 VAL 29 2HG1 VAL 29 1.309 -9.901 -1.329 262 HG13 VAL 29 3HG1 VAL 29 0.548 -10.272 0.218 263 HG21 VAL 29 3HG2 VAL 29 0.846 -7.536 -2.418 264 HG22 VAL 29 1HG2 VAL 29 1.380 -6.804 -0.900 265 HG23 VAL 29 2HG2 VAL 29 -0.210 -6.409 -1.557 266 H THR 30 H THR 30 -1.752 -11.100 -2.561 267 HA THR 30 HA THR 30 -2.926 -12.560 -0.279 268 HB THR 30 HB THR 30 -3.572 -14.209 -2.153 269 HG1 THR 30 HG1 THR 30 -3.166 -12.121 -3.998 270 HG21 THR 30 3HG2 THR 30 -5.440 -12.832 -3.000 271 HG22 THR 30 1HG2 THR 30 -4.645 -11.370 -2.412 272 HG23 THR 30 2HG2 THR 30 -5.219 -12.585 -1.265 273 H THR 31 H THR 31 -0.449 -12.791 -2.806 274 HA THR 31 HA THR 31 1.086 -14.779 -1.216 275 HB THR 31 HB THR 31 2.097 -15.531 -3.383 276 HG1 THR 31 HG1 THR 31 0.432 -14.690 -5.207 277 HG21 THR 31 3HG2 THR 31 0.171 -16.785 -4.280 278 HG22 THR 31 1HG2 THR 31 -0.947 -15.715 -3.426 279 HG23 THR 31 2HG2 THR 31 0.125 -16.783 -2.516 280 H GLU 32 H GLU 32 3.500 -14.603 -1.690 281 HA GLU 32 HA GLU 32 4.526 -11.961 -1.421 282 HB2 GLU 32 2HB GLU 32 5.751 -13.945 -0.560 283 HB3 GLU 32 3HB GLU 32 6.011 -14.512 -2.208 284 HG2 GLU 32 2HG GLU 32 7.277 -12.334 -2.636 285 HG3 GLU 32 3HG GLU 32 7.180 -12.024 -0.905 286 H GLU 33 H GLU 33 4.020 -14.128 -4.162 287 HA GLU 33 HA GLU 33 5.411 -12.691 -6.162 288 HB2 GLU 33 2HB GLU 33 2.953 -14.472 -6.447 289 HB3 GLU 33 3HB GLU 33 4.000 -13.958 -7.772 290 HG2 GLU 33 2HG GLU 33 4.708 -15.793 -5.468 291 HG3 GLU 33 3HG GLU 33 4.551 -16.226 -7.167 292 H ASP 34 H ASP 34 2.161 -12.364 -4.815 293 HA ASP 34 HA ASP 34 1.183 -10.415 -6.631 294 HB2 ASP 34 2HB ASP 34 -0.192 -11.776 -4.932 295 HB3 ASP 34 3HB ASP 34 0.385 -10.662 -3.700 296 H ALA 35 H ALA 35 2.817 -10.205 -3.459 297 HA ALA 35 HA ALA 35 2.999 -7.435 -3.173 298 HB1 ALA 35 3HB ALA 35 3.560 -8.999 -1.356 299 HB2 ALA 35 1HB ALA 35 4.877 -7.856 -1.639 300 HB3 ALA 35 2HB ALA 35 5.004 -9.515 -2.231 301 H LYS 36 H LYS 36 5.100 -9.682 -4.943 302 HA LYS 36 HA LYS 36 7.128 -7.866 -5.701 303 HB2 LYS 36 2HB LYS 36 6.204 -10.492 -6.929 304 HB3 LYS 36 3HB LYS 36 7.626 -9.612 -7.495 305 HG2 LYS 36 2HG LYS 36 8.755 -9.897 -5.390 306 HG3 LYS 36 3HG LYS 36 7.294 -10.517 -4.619 307 HD2 LYS 36 2HD LYS 36 8.858 -12.346 -5.092 308 HD3 LYS 36 3HD LYS 36 7.376 -12.529 -6.029 309 HE2 LYS 36 2HE LYS 36 8.548 -11.622 -8.027 310 HE3 LYS 36 3HE LYS 36 10.031 -11.483 -7.078 311 HZ1 LYS 36 3HZ LYS 36 10.085 -13.841 -6.794 312 HZ2 LYS 36 1HZ LYS 36 9.919 -13.516 -8.443 313 HZ3 LYS 36 2HZ LYS 36 8.583 -14.037 -7.545 314 H GLN 37 H GLN 37 4.063 -8.815 -7.297 315 HA GLN 37 HA GLN 37 4.341 -7.314 -9.675 316 HB2 GLN 37 2HB GLN 37 1.812 -8.022 -8.125 317 HB3 GLN 37 3HB GLN 37 1.803 -7.283 -9.728 318 HG2 GLN 37 2HG GLN 37 2.941 -9.245 -10.654 319 HG3 GLN 37 3HG GLN 37 2.980 -9.994 -9.052 320 HE21 GLN 37 1HE2 GLN 37 1.033 -10.784 -8.171 321 HE22 GLN 37 2HE2 GLN 37 -0.373 -11.046 -9.134 322 H VAL 38 H VAL 38 3.178 -6.412 -6.446 323 HA VAL 38 HA VAL 38 2.407 -3.753 -7.003 324 HB VAL 38 HB VAL 38 3.469 -4.804 -4.333 325 HG11 VAL 38 1HG1 VAL 38 3.276 -2.348 -4.417 326 HG12 VAL 38 2HG1 VAL 38 2.064 -3.024 -3.330 327 HG13 VAL 38 3HG1 VAL 38 1.597 -2.481 -4.943 328 HG21 VAL 38 3HG2 VAL 38 0.614 -4.881 -5.397 329 HG22 VAL 38 1HG2 VAL 38 1.101 -5.319 -3.755 330 HG23 VAL 38 2HG2 VAL 38 1.660 -6.272 -5.127 331 H ILE 39 H ILE 39 5.502 -5.071 -5.715 332 HA ILE 39 HA ILE 39 6.874 -2.657 -5.286 333 HB ILE 39 HB ILE 39 8.037 -5.420 -5.880 334 HG12 ILE 39 2HG1 ILE 39 7.586 -4.054 -3.187 335 HG13 ILE 39 3HG1 ILE 39 6.561 -5.316 -3.853 336 HG21 ILE 39 1HG2 ILE 39 9.759 -3.694 -6.256 337 HG22 ILE 39 2HG2 ILE 39 10.133 -4.634 -4.813 338 HG23 ILE 39 3HG2 ILE 39 9.449 -3.016 -4.656 339 HD11 ILE 39 3HD1 ILE 39 8.467 -6.878 -3.781 340 HD12 ILE 39 1HD1 ILE 39 8.044 -6.233 -2.196 341 HD13 ILE 39 2HD1 ILE 39 9.455 -5.609 -3.049 342 H LYS 40 H LYS 40 6.961 -4.846 -8.116 343 HA LYS 40 HA LYS 40 8.891 -3.474 -9.653 344 HB2 LYS 40 2HB LYS 40 6.635 -5.331 -10.498 345 HB3 LYS 40 3HB LYS 40 7.892 -4.764 -11.596 346 HG2 LYS 40 2HG LYS 40 9.607 -5.940 -10.378 347 HG3 LYS 40 3HG LYS 40 8.491 -6.329 -9.064 348 HD2 LYS 40 2HD LYS 40 8.897 -8.281 -10.550 349 HD3 LYS 40 3HD LYS 40 7.200 -7.800 -10.535 350 HE2 LYS 40 2HE LYS 40 7.474 -6.681 -12.706 351 HE3 LYS 40 3HE LYS 40 9.198 -7.060 -12.708 352 HZ1 LYS 40 3HZ LYS 40 7.866 -8.574 -14.073 353 HZ2 LYS 40 1HZ LYS 40 7.031 -9.086 -12.695 354 HZ3 LYS 40 2HZ LYS 40 8.692 -9.378 -12.836 355 H GLU 41 H GLU 41 5.364 -3.216 -9.526 356 HA GLU 41 HA GLU 41 5.036 -1.401 -11.706 357 HB2 GLU 41 2HB GLU 41 3.257 -2.943 -10.865 358 HB3 GLU 41 3HB GLU 41 3.172 -2.013 -9.371 359 HG2 GLU 41 2HG GLU 41 2.467 -0.018 -10.704 360 HG3 GLU 41 3HG GLU 41 2.484 -1.022 -12.155 361 H ILE 42 H ILE 42 5.426 -1.065 -8.221 362 HA ILE 42 HA ILE 42 4.981 1.670 -7.862 363 HB ILE 42 HB ILE 42 6.703 -0.339 -6.362 364 HG12 ILE 42 2HG1 ILE 42 4.190 1.142 -5.458 365 HG13 ILE 42 3HG1 ILE 42 4.180 -0.468 -6.169 366 HG21 ILE 42 1HG2 ILE 42 6.359 2.566 -5.596 367 HG22 ILE 42 2HG2 ILE 42 7.864 1.772 -6.037 368 HG23 ILE 42 3HG2 ILE 42 7.035 1.327 -4.545 369 HD11 ILE 42 3HD1 ILE 42 3.999 -0.543 -3.743 370 HD12 ILE 42 1HD1 ILE 42 5.544 0.293 -3.583 371 HD13 ILE 42 2HD1 ILE 42 5.481 -1.323 -4.296 372 H GLN 43 H GLN 43 7.972 -0.101 -8.661 373 HA GLN 43 HA GLN 43 9.722 2.142 -8.693 374 HB2 GLN 43 2HB GLN 43 9.989 -0.617 -9.954 375 HB3 GLN 43 3HB GLN 43 11.300 0.564 -9.879 376 HG2 GLN 43 2HG GLN 43 11.294 0.488 -7.446 377 HG3 GLN 43 3HG GLN 43 9.886 -0.578 -7.453 378 HE21 GLN 43 1HE2 GLN 43 11.034 -2.140 -6.290 379 HE22 GLN 43 2HE2 GLN 43 12.240 -3.129 -7.023 380 H LYS 44 H LYS 44 7.893 0.453 -11.193 381 HA LYS 44 HA LYS 44 8.998 1.744 -13.446 382 HB2 LYS 44 2HB LYS 44 7.828 -0.414 -13.598 383 HB3 LYS 44 3HB LYS 44 6.320 0.335 -13.095 384 HG2 LYS 44 2HG LYS 44 6.373 -0.119 -15.529 385 HG3 LYS 44 3HG LYS 44 6.187 1.599 -15.181 386 HD2 LYS 44 2HD LYS 44 7.743 1.229 -17.053 387 HD3 LYS 44 3HD LYS 44 8.572 1.980 -15.689 388 HE2 LYS 44 2HE LYS 44 9.949 0.220 -16.737 389 HE3 LYS 44 3HE LYS 44 9.548 -0.197 -15.071 390 HZ1 LYS 44 3HZ LYS 44 7.901 -1.711 -15.838 391 HZ2 LYS 44 1HZ LYS 44 9.338 -2.049 -16.657 392 HZ3 LYS 44 2HZ LYS 44 8.090 -1.218 -17.439 393 H LYS 45 H LYS 45 6.088 2.456 -11.517 394 HA LYS 45 HA LYS 45 5.361 4.719 -13.219 395 HB2 LYS 45 2HB LYS 45 3.946 3.617 -10.755 396 HB3 LYS 45 3HB LYS 45 3.298 4.790 -11.907 397 HG2 LYS 45 2HG LYS 45 3.613 2.980 -13.713 398 HG3 LYS 45 3HG LYS 45 3.912 1.854 -12.390 399 HD2 LYS 45 2HD LYS 45 1.593 1.691 -13.143 400 HD3 LYS 45 3HD LYS 45 1.650 2.314 -11.491 401 HE2 LYS 45 2HE LYS 45 1.115 4.517 -12.189 402 HE3 LYS 45 3HE LYS 45 1.492 4.169 -13.875 403 HZ1 LYS 45 3HZ LYS 45 -0.893 4.296 -13.452 404 HZ2 LYS 45 1HZ LYS 45 -0.788 2.988 -12.387 405 HZ3 LYS 45 2HZ LYS 45 -0.436 2.776 -14.026 406 H GLY 46 H GLY 46 7.041 4.136 -10.305 407 HA2 GLY 46 2HA GLY 46 8.599 5.555 -9.327 408 HA3 GLY 46 3HA GLY 46 7.961 6.892 -10.274 409 H VAL 47 H VAL 47 6.518 4.688 -7.884 410 HA VAL 47 HA VAL 47 4.824 6.727 -6.773 411 HB VAL 47 HB VAL 47 5.376 3.918 -5.732 412 HG11 VAL 47 1HG1 VAL 47 2.986 5.713 -5.225 413 HG12 VAL 47 2HG1 VAL 47 4.263 5.349 -4.064 414 HG13 VAL 47 3HG1 VAL 47 3.192 4.065 -4.625 415 HG21 VAL 47 3HG2 VAL 47 3.395 3.196 -7.011 416 HG22 VAL 47 1HG2 VAL 47 4.656 3.824 -8.078 417 HG23 VAL 47 2HG2 VAL 47 3.244 4.815 -7.697 418 H GLN 48 H GLN 48 5.059 7.789 -4.803 419 HA GLN 48 HA GLN 48 7.765 7.797 -3.662 420 HB2 GLN 48 2HB GLN 48 6.403 9.889 -4.548 421 HB3 GLN 48 3HB GLN 48 5.633 9.838 -2.975 422 HG2 GLN 48 2HG GLN 48 8.641 9.889 -3.138 423 HG3 GLN 48 3HG GLN 48 7.739 11.366 -3.442 424 HE21 GLN 48 1HE2 GLN 48 8.559 12.428 -1.690 425 HE22 GLN 48 2HE2 GLN 48 8.157 12.030 -0.062 426 H LYS 49 H LYS 49 4.347 7.715 -2.593 427 HA LYS 49 HA LYS 49 5.214 6.633 0.031 428 HB2 LYS 49 2HB LYS 49 2.689 8.236 -0.624 429 HB3 LYS 49 3HB LYS 49 3.110 7.586 0.965 430 HG2 LYS 49 2HG LYS 49 5.221 8.982 0.856 431 HG3 LYS 49 3HG LYS 49 4.552 9.758 -0.581 432 HD2 LYS 49 2HD LYS 49 2.707 10.688 0.716 433 HD3 LYS 49 3HD LYS 49 3.183 9.757 2.144 434 HE2 LYS 49 2HE LYS 49 5.416 10.998 2.017 435 HE3 LYS 49 3HE LYS 49 4.646 12.091 0.868 436 HZ1 LYS 49 3HZ LYS 49 4.574 12.978 3.087 437 HZ2 LYS 49 1HZ LYS 49 3.811 11.588 3.671 438 HZ3 LYS 49 2HZ LYS 49 3.009 12.602 2.587 439 H VAL 50 H VAL 50 4.443 4.727 0.662 440 HA VAL 50 HA VAL 50 2.133 3.485 -0.706 441 HB VAL 50 HB VAL 50 4.702 2.056 0.158 442 HG11 VAL 50 1HG1 VAL 50 3.687 0.005 -0.806 443 HG12 VAL 50 2HG1 VAL 50 2.191 0.889 -1.116 444 HG13 VAL 50 3HG1 VAL 50 2.729 0.620 0.544 445 HG21 VAL 50 3HG2 VAL 50 5.042 1.588 -2.243 446 HG22 VAL 50 1HG2 VAL 50 4.985 3.329 -1.947 447 HG23 VAL 50 2HG2 VAL 50 3.586 2.505 -2.640 448 H VAL 51 H VAL 51 0.572 3.135 0.718 449 HA VAL 51 HA VAL 51 1.010 3.103 3.600 450 HB VAL 51 HB VAL 51 -1.574 2.898 1.974 451 HG11 VAL 51 1HG1 VAL 51 -2.741 3.354 4.117 452 HG12 VAL 51 2HG1 VAL 51 -1.196 3.278 4.966 453 HG13 VAL 51 3HG1 VAL 51 -1.838 1.839 4.174 454 HG21 VAL 51 3HG2 VAL 51 -0.425 5.278 3.478 455 HG22 VAL 51 1HG2 VAL 51 -1.984 5.230 2.646 456 HG23 VAL 51 2HG2 VAL 51 -0.486 5.097 1.724 457 H LEU 52 H LEU 52 1.674 1.164 4.409 458 HA LEU 52 HA LEU 52 0.658 -1.374 3.304 459 HB2 LEU 52 2HB LEU 52 2.901 -0.783 5.277 460 HB3 LEU 52 3HB LEU 52 2.437 -2.395 4.755 461 HG LEU 52 HG LEU 52 3.550 -0.226 2.916 462 HD11 LEU 52 1HD1 LEU 52 4.925 -2.722 3.942 463 HD12 LEU 52 2HD1 LEU 52 5.253 -1.073 4.473 464 HD13 LEU 52 3HD1 LEU 52 5.589 -1.539 2.809 465 HD21 LEU 52 3HD2 LEU 52 2.903 -3.127 2.329 466 HD22 LEU 52 1HD2 LEU 52 3.753 -2.024 1.239 467 HD23 LEU 52 2HD2 LEU 52 2.082 -1.703 1.688 468 H VAL 53 H VAL 53 -1.402 -1.464 4.130 469 HA VAL 53 HA VAL 53 -1.969 -1.138 6.976 470 HB VAL 53 HB VAL 53 -3.895 -2.028 4.769 471 HG11 VAL 53 1HG1 VAL 53 -5.680 -1.311 6.334 472 HG12 VAL 53 2HG1 VAL 53 -4.462 -0.899 7.543 473 HG13 VAL 53 3HG1 VAL 53 -4.678 -2.580 7.047 474 HG21 VAL 53 3HG2 VAL 53 -3.440 0.800 5.795 475 HG22 VAL 53 1HG2 VAL 53 -4.706 0.304 4.669 476 HG23 VAL 53 2HG2 VAL 53 -3.009 0.196 4.193 477 H GLY 54 H GLY 54 -1.479 -2.787 8.270 478 HA2 GLY 54 2HA GLY 54 -1.542 -4.821 9.291 479 HA3 GLY 54 3HA GLY 54 -2.886 -5.205 8.231 480 H VAL 55 H VAL 55 0.604 -4.658 7.592 481 HA VAL 55 HA VAL 55 0.723 -7.296 6.224 482 HB VAL 55 HB VAL 55 2.585 -6.491 4.898 483 HG11 VAL 55 1HG1 VAL 55 0.362 -5.926 4.027 484 HG12 VAL 55 2HG1 VAL 55 1.534 -4.686 3.578 485 HG13 VAL 55 3HG1 VAL 55 0.389 -4.384 4.890 486 HG21 VAL 55 3HG2 VAL 55 2.487 -3.898 6.497 487 HG22 VAL 55 1HG2 VAL 55 3.504 -4.182 5.077 488 HG23 VAL 55 2HG2 VAL 55 3.763 -5.115 6.552 489 H SER 56 H SER 56 2.775 -8.485 6.436 490 HA SER 56 HA SER 56 3.919 -8.512 9.077 491 HB2 SER 56 2HB SER 56 4.756 -10.020 6.547 492 HB3 SER 56 3HB SER 56 5.290 -10.387 8.191 493 HG SER 56 HG SER 56 2.742 -10.403 8.409 494 H GLU 57 H GLU 57 6.067 -7.886 9.625 495 HA GLU 57 HA GLU 57 7.219 -5.738 8.144 496 HB2 GLU 57 2HB GLU 57 9.175 -6.013 9.860 497 HB3 GLU 57 3HB GLU 57 7.606 -5.464 10.416 498 HG2 GLU 57 2HG GLU 57 8.572 -7.027 12.001 499 HG3 GLU 57 3HG GLU 57 7.099 -7.688 11.297 500 H LYS 58 H LYS 58 7.641 -9.132 8.008 501 HA LYS 58 HA LYS 58 10.013 -9.541 6.628 502 HB2 LYS 58 2HB LYS 58 7.301 -10.845 6.089 503 HB3 LYS 58 3HB LYS 58 8.869 -11.506 5.618 504 HG2 LYS 58 2HG LYS 58 9.486 -11.851 7.950 505 HG3 LYS 58 3HG LYS 58 8.026 -11.019 8.495 506 HD2 LYS 58 2HD LYS 58 7.781 -13.454 8.709 507 HD3 LYS 58 3HD LYS 58 6.624 -12.802 7.547 508 HE2 LYS 58 2HE LYS 58 7.599 -14.904 6.732 509 HE3 LYS 58 3HE LYS 58 8.067 -13.565 5.686 510 HZ1 LYS 58 3HZ LYS 58 9.745 -14.809 7.790 511 HZ2 LYS 58 1HZ LYS 58 10.201 -13.496 6.831 512 HZ3 LYS 58 2HZ LYS 58 9.926 -14.999 6.120 513 H LEU 59 H LEU 59 6.845 -8.510 5.381 514 HA LEU 59 HA LEU 59 7.850 -8.065 2.688 515 HB2 LEU 59 2HB LEU 59 5.104 -7.585 3.917 516 HB3 LEU 59 3HB LEU 59 5.495 -7.288 2.227 517 HG LEU 59 HG LEU 59 5.519 -10.010 3.604 518 HD11 LEU 59 1HD1 LEU 59 3.592 -10.532 2.188 519 HD12 LEU 59 2HD1 LEU 59 3.620 -8.900 1.514 520 HD13 LEU 59 3HD1 LEU 59 3.256 -9.146 3.225 521 HD21 LEU 59 3HD2 LEU 59 6.098 -9.340 0.687 522 HD22 LEU 59 1HD2 LEU 59 5.948 -10.965 1.367 523 HD23 LEU 59 2HD2 LEU 59 7.269 -9.920 1.876 524 H LEU 60 H LEU 60 6.974 -6.157 5.554 525 HA LEU 60 HA LEU 60 6.546 -3.669 4.351 526 HB2 LEU 60 2HB LEU 60 5.851 -4.264 6.623 527 HB3 LEU 60 3HB LEU 60 7.518 -4.289 7.150 528 HG LEU 60 HG LEU 60 6.504 -1.691 6.009 529 HD11 LEU 60 1HD1 LEU 60 4.629 -2.358 7.408 530 HD12 LEU 60 2HD1 LEU 60 5.492 -0.990 8.104 531 HD13 LEU 60 3HD1 LEU 60 5.716 -2.608 8.778 532 HD21 LEU 60 3HD2 LEU 60 7.929 -0.678 7.752 533 HD22 LEU 60 1HD2 LEU 60 8.846 -1.829 6.779 534 HD23 LEU 60 2HD2 LEU 60 8.303 -2.280 8.395 535 H GLN 61 H GLN 61 9.477 -4.808 6.021 536 HA GLN 61 HA GLN 61 11.133 -2.595 5.454 537 HB2 GLN 61 2HB GLN 61 11.902 -5.491 6.027 538 HB3 GLN 61 3HB GLN 61 13.000 -4.118 6.113 539 HG2 GLN 61 2HG GLN 61 10.549 -4.513 7.858 540 HG3 GLN 61 3HG GLN 61 12.211 -4.855 8.337 541 HE21 GLN 61 1HE2 GLN 61 10.268 -2.983 9.498 542 HE22 GLN 61 2HE2 GLN 61 11.020 -1.432 9.462 543 H LYS 62 H LYS 62 10.261 -5.387 3.562 544 HA LYS 62 HA LYS 62 12.428 -5.239 1.691 545 HB2 LYS 62 2HB LYS 62 11.339 -7.373 2.198 546 HB3 LYS 62 3HB LYS 62 9.808 -6.781 1.564 547 HG2 LYS 62 2HG LYS 62 10.578 -6.832 -0.681 548 HG3 LYS 62 3HG LYS 62 12.271 -6.888 -0.189 549 HD2 LYS 62 2HD LYS 62 11.558 -9.058 -1.063 550 HD3 LYS 62 3HD LYS 62 11.979 -9.182 0.647 551 HE2 LYS 62 2HE LYS 62 9.562 -9.128 1.225 552 HE3 LYS 62 3HE LYS 62 9.165 -9.021 -0.495 553 HZ1 LYS 62 3HZ LYS 62 8.979 -11.284 0.219 554 HZ2 LYS 62 1HZ LYS 62 10.537 -11.270 0.876 555 HZ3 LYS 62 2HZ LYS 62 10.325 -11.165 -0.797 556 H ILE 63 H ILE 63 8.932 -4.356 1.529 557 HA ILE 63 HA ILE 63 8.923 -3.196 -1.016 558 HB ILE 63 HB ILE 63 7.149 -2.856 1.423 559 HG12 ILE 63 2HG1 ILE 63 5.336 -3.596 -0.185 560 HG13 ILE 63 3HG1 ILE 63 6.544 -3.700 -1.456 561 HG21 ILE 63 1HG2 ILE 63 5.672 -1.233 0.254 562 HG22 ILE 63 2HG2 ILE 63 6.880 -1.080 -1.025 563 HG23 ILE 63 3HG2 ILE 63 7.263 -0.552 0.614 564 HD11 ILE 63 3HD1 ILE 63 6.394 -5.390 1.028 565 HD12 ILE 63 1HD1 ILE 63 7.663 -5.494 -0.196 566 HD13 ILE 63 2HD1 ILE 63 5.995 -5.878 -0.619 567 H LYS 64 H LYS 64 9.762 -1.885 2.157 568 HA LYS 64 HA LYS 64 10.190 0.808 1.596 569 HB2 LYS 64 2HB LYS 64 10.147 -0.350 3.871 570 HB3 LYS 64 3HB LYS 64 11.788 -0.898 3.571 571 HG2 LYS 64 2HG LYS 64 11.072 2.045 3.567 572 HG3 LYS 64 3HG LYS 64 11.414 1.189 5.068 573 HD2 LYS 64 2HD LYS 64 13.690 0.661 4.269 574 HD3 LYS 64 3HD LYS 64 13.345 1.442 2.723 575 HE2 LYS 64 2HE LYS 64 14.654 2.938 4.137 576 HE3 LYS 64 3HE LYS 64 13.037 3.605 3.905 577 HZ1 LYS 64 3HZ LYS 64 12.438 2.732 6.089 578 HZ2 LYS 64 1HZ LYS 64 13.728 3.814 6.188 579 HZ3 LYS 64 2HZ LYS 64 14.005 2.155 6.305 580 H GLN 65 H GLN 65 12.568 -1.886 1.550 581 HA GLN 65 HA GLN 65 14.746 -0.249 0.644 582 HB2 GLN 65 2HB GLN 65 14.463 -3.269 0.920 583 HB3 GLN 65 3HB GLN 65 15.964 -2.480 0.430 584 HG2 GLN 65 2HG GLN 65 16.083 -1.292 2.551 585 HG3 GLN 65 3HG GLN 65 14.525 -1.955 3.048 586 HE21 GLN 65 1HE2 GLN 65 15.429 -2.880 4.898 587 HE22 GLN 65 2HE2 GLN 65 16.437 -4.282 4.834 588 H GLU 66 H GLU 66 13.040 -2.964 -0.950 589 HA GLU 66 HA GLU 66 14.425 -2.874 -3.367 590 HB2 GLU 66 2HB GLU 66 11.585 -3.925 -2.977 591 HB3 GLU 66 3HB GLU 66 12.706 -4.380 -4.262 592 HG2 GLU 66 2HG GLU 66 12.921 -5.028 -1.308 593 HG3 GLU 66 3HG GLU 66 12.563 -6.149 -2.617 594 H ALA 67 H ALA 67 11.270 -1.406 -2.494 595 HA ALA 67 HA ALA 67 10.916 -0.313 -5.173 596 HB1 ALA 67 3HB ALA 67 8.741 0.435 -4.346 597 HB2 ALA 67 1HB ALA 67 9.168 -0.054 -2.707 598 HB3 ALA 67 2HB ALA 67 8.993 -1.268 -3.976 599 H ASN 68 H ASN 68 12.222 0.691 -2.154 600 HA ASN 68 HA ASN 68 13.061 2.585 -1.295 601 HB2 ASN 68 2HB ASN 68 14.543 2.518 -3.270 602 HB3 ASN 68 3HB ASN 68 13.359 3.415 -4.213 603 HD21 ASN 68 1HD2 ASN 68 15.686 3.641 -1.587 604 HD22 ASN 68 2HD2 ASN 68 15.842 5.360 -1.618 605 H VAL 69 H VAL 69 10.842 2.798 -0.492 606 HA VAL 69 HA VAL 69 9.495 5.283 -1.376 607 HB VAL 69 HB VAL 69 7.256 4.160 -0.971 608 HG11 VAL 69 1HG1 VAL 69 7.146 3.017 -3.142 609 HG12 VAL 69 2HG1 VAL 69 8.910 2.955 -3.215 610 HG13 VAL 69 3HG1 VAL 69 8.081 4.513 -3.258 611 HG21 VAL 69 3HG2 VAL 69 7.130 1.674 -1.007 612 HG22 VAL 69 1HG2 VAL 69 8.014 2.253 0.410 613 HG23 VAL 69 2HG2 VAL 69 8.894 1.583 -0.966 614 H GLN 70 H GLN 70 8.242 6.309 0.168 615 HA GLN 70 HA GLN 70 8.946 5.976 2.937 616 HB2 GLN 70 2HB GLN 70 7.203 7.945 1.397 617 HB3 GLN 70 3HB GLN 70 7.162 7.903 3.158 618 HG2 GLN 70 2HG GLN 70 8.679 9.652 2.402 619 HG3 GLN 70 3HG GLN 70 9.572 8.392 3.248 620 HE21 GLN 70 1HE2 GLN 70 8.498 8.250 -0.149 621 HE22 GLN 70 2HE2 GLN 70 10.090 8.250 -0.815 622 H VAL 71 H VAL 71 7.999 4.542 4.149 623 HA VAL 71 HA VAL 71 5.523 3.196 3.352 624 HB VAL 71 HB VAL 71 7.745 2.494 5.337 625 HG11 VAL 71 1HG1 VAL 71 5.198 0.909 4.810 626 HG12 VAL 71 2HG1 VAL 71 5.624 1.710 6.323 627 HG13 VAL 71 3HG1 VAL 71 6.578 0.339 5.754 628 HG21 VAL 71 3HG2 VAL 71 6.851 1.142 2.759 629 HG22 VAL 71 1HG2 VAL 71 8.175 0.605 3.798 630 HG23 VAL 71 2HG2 VAL 71 8.289 2.149 2.947 631 H TYR 72 H TYR 72 3.670 3.546 4.399 632 HA TYR 72 HA TYR 72 3.667 4.609 7.168 633 HB2 TYR 72 2HB TYR 72 1.668 5.097 4.906 634 HB3 TYR 72 3HB TYR 72 1.410 5.587 6.578 635 HD1 TYR 72 HD2 TYR 72 3.487 6.222 3.545 636 HD2 TYR 72 HD1 TYR 72 2.500 7.558 7.489 637 HE1 TYR 72 HE2 TYR 72 4.660 8.336 3.126 638 HE2 TYR 72 HE1 TYR 72 3.674 9.675 7.061 639 HH TYR 72 HH TYR 72 5.482 10.516 5.554 640 H ARG 73 H ARG 73 3.469 2.746 8.281 641 HA ARG 73 HA ARG 73 1.681 0.608 7.452 642 HB2 ARG 73 2HB ARG 73 3.838 0.061 8.575 643 HB3 ARG 73 3HB ARG 73 3.284 0.888 10.032 644 HG2 ARG 73 2HG ARG 73 1.364 -0.729 10.157 645 HG3 ARG 73 3HG ARG 73 2.044 -1.583 8.772 646 HD2 ARG 73 2HD ARG 73 4.093 -2.028 10.106 647 HD3 ARG 73 3HD ARG 73 3.328 -1.246 11.492 648 HE ARG 73 HE ARG 73 1.523 -3.026 11.160 649 HH11 ARG 73 1HH1 ARG 73 4.925 -3.641 10.461 650 HH12 ARG 73 2HH1 ARG 73 4.781 -5.341 10.777 651 HH21 ARG 73 1HH2 ARG 73 1.393 -5.231 11.569 652 HH22 ARG 73 2HH2 ARG 73 2.796 -6.233 11.397 653 H VAL 74 H VAL 74 -0.403 0.854 7.783 654 HA VAL 74 HA VAL 74 -1.388 2.703 9.864 655 HB VAL 74 HB VAL 74 -2.490 1.852 7.163 656 HG11 VAL 74 1HG1 VAL 74 -3.953 3.457 9.286 657 HG12 VAL 74 2HG1 VAL 74 -4.410 1.863 8.677 658 HG13 VAL 74 3HG1 VAL 74 -4.472 3.264 7.614 659 HG21 VAL 74 3HG2 VAL 74 -1.738 4.575 8.315 660 HG22 VAL 74 1HG2 VAL 74 -2.387 4.294 6.696 661 HG23 VAL 74 2HG2 VAL 74 -0.803 3.650 7.134 662 H THR 75 H THR 75 -2.587 2.000 11.461 663 HA THR 75 HA THR 75 -3.797 -0.707 11.463 664 HB THR 75 HB THR 75 -3.677 -0.446 14.007 665 HG1 THR 75 HG1 THR 75 -2.811 1.313 14.835 666 HG21 THR 75 3HG2 THR 75 -1.265 -0.949 14.203 667 HG22 THR 75 1HG2 THR 75 -1.002 -0.366 12.552 668 HG23 THR 75 2HG2 THR 75 -1.974 -1.809 12.839 669 H SER 76 H SER 76 -4.567 2.553 11.195 670 HA SER 76 HA SER 76 -7.349 2.173 12.085 671 HB2 SER 76 2HB SER 76 -5.574 4.485 13.032 672 HB3 SER 76 3HB SER 76 -7.305 4.333 13.345 673 HG SER 76 HG SER 76 -6.647 2.218 14.331 674 H ASN 77 H ASN 77 -8.836 3.360 10.920 675 HA ASN 77 HA ASN 77 -8.329 4.142 8.304 676 HB2 ASN 77 2HB ASN 77 -10.651 4.966 10.105 677 HB3 ASN 77 3HB ASN 77 -10.610 5.237 8.363 678 HD21 ASN 77 1HD2 ASN 77 -12.434 3.593 10.038 679 HD22 ASN 77 2HD2 ASN 77 -12.387 2.017 9.335 680 H ASP 78 H ASP 78 -8.186 6.032 11.240 681 HA ASP 78 HA ASP 78 -8.177 8.670 10.427 682 HB2 ASP 78 2HB ASP 78 -6.258 7.492 12.501 683 HB3 ASP 78 3HB ASP 78 -6.824 9.162 12.419 684 H GLU 79 H GLU 79 -5.390 6.461 10.677 685 HA GLU 79 HA GLU 79 -3.432 8.295 9.727 686 HB2 GLU 79 2HB GLU 79 -3.379 5.285 10.194 687 HB3 GLU 79 3HB GLU 79 -1.959 6.212 9.704 688 HG2 GLU 79 2HG GLU 79 -3.555 6.714 12.239 689 HG3 GLU 79 3HG GLU 79 -2.073 5.765 12.158 690 H LEU 80 H LEU 80 -5.199 5.591 8.260 691 HA LEU 80 HA LEU 80 -4.012 5.395 5.757 692 HB2 LEU 80 2HB LEU 80 -5.737 3.839 6.597 693 HB3 LEU 80 3HB LEU 80 -6.947 5.093 6.547 694 HG LEU 80 HG LEU 80 -6.939 3.213 4.710 695 HD11 LEU 80 1HD1 LEU 80 -8.469 5.108 4.616 696 HD12 LEU 80 2HD1 LEU 80 -7.894 4.661 3.012 697 HD13 LEU 80 3HD1 LEU 80 -7.235 6.086 3.821 698 HD21 LEU 80 3HD2 LEU 80 -4.559 3.417 4.089 699 HD22 LEU 80 1HD2 LEU 80 -4.860 5.046 3.479 700 HD23 LEU 80 2HD2 LEU 80 -5.625 3.654 2.705 701 H GLU 81 H GLU 81 -6.717 7.444 6.796 702 HA GLU 81 HA GLU 81 -7.070 8.778 4.306 703 HB2 GLU 81 2HB GLU 81 -8.136 9.410 7.088 704 HB3 GLU 81 3HB GLU 81 -8.663 10.219 5.605 705 HG2 GLU 81 2HG GLU 81 -9.459 8.072 4.704 706 HG3 GLU 81 3HG GLU 81 -8.915 7.246 6.161 707 H GLN 82 H GLN 82 -5.073 9.449 7.156 708 HA GLN 82 HA GLN 82 -4.568 12.192 6.620 709 HB2 GLN 82 2HB GLN 82 -2.820 10.163 8.078 710 HB3 GLN 82 3HB GLN 82 -2.427 11.877 7.959 711 HG2 GLN 82 2HG GLN 82 -4.757 10.609 9.396 712 HG3 GLN 82 3HG GLN 82 -3.436 11.535 10.094 713 HE21 GLN 82 1HE2 GLN 82 -6.454 11.697 8.359 714 HE22 GLN 82 2HE2 GLN 82 -6.710 13.395 8.538 715 H VAL 83 H VAL 83 -2.942 9.219 5.582 716 HA VAL 83 HA VAL 83 -0.886 10.564 4.086 717 HB VAL 83 HB VAL 83 -1.755 7.661 3.735 718 HG11 VAL 83 1HG1 VAL 83 0.912 9.039 3.180 719 HG12 VAL 83 2HG1 VAL 83 -0.232 8.464 1.964 720 HG13 VAL 83 3HG1 VAL 83 0.602 7.309 3.005 721 HG21 VAL 83 3HG2 VAL 83 -0.077 7.064 5.441 722 HG22 VAL 83 1HG2 VAL 83 -1.323 8.110 6.124 723 HG23 VAL 83 2HG2 VAL 83 0.262 8.772 5.723 724 H VAL 84 H VAL 84 -4.084 9.215 3.289 725 HA VAL 84 HA VAL 84 -3.870 9.421 0.465 726 HB VAL 84 HB VAL 84 -6.406 9.454 2.171 727 HG11 VAL 84 1HG1 VAL 84 -6.859 10.441 -0.041 728 HG12 VAL 84 2HG1 VAL 84 -7.594 8.843 0.060 729 HG13 VAL 84 3HG1 VAL 84 -6.094 9.067 -0.840 730 HG21 VAL 84 3HG2 VAL 84 -6.605 7.065 1.558 731 HG22 VAL 84 1HG2 VAL 84 -5.077 7.364 2.388 732 HG23 VAL 84 2HG2 VAL 84 -5.100 7.164 0.638 733 H LYS 85 H LYS 85 -5.460 11.587 2.837 734 HA LYS 85 HA LYS 85 -6.126 13.746 1.231 735 HB2 LYS 85 2HB LYS 85 -5.252 13.682 4.146 736 HB3 LYS 85 3HB LYS 85 -5.861 15.138 3.364 737 HG2 LYS 85 2HG LYS 85 -8.035 14.094 3.005 738 HG3 LYS 85 3HG LYS 85 -7.442 12.563 3.662 739 HD2 LYS 85 2HD LYS 85 -8.770 13.806 5.352 740 HD3 LYS 85 3HD LYS 85 -7.094 13.604 5.868 741 HE2 LYS 85 2HE LYS 85 -6.618 15.941 5.111 742 HE3 LYS 85 3HE LYS 85 -8.319 16.127 4.689 743 HZ1 LYS 85 3HZ LYS 85 -7.830 17.082 6.831 744 HZ2 LYS 85 1HZ LYS 85 -7.249 15.602 7.400 745 HZ3 LYS 85 2HZ LYS 85 -8.883 15.773 7.010 746 H ASP 86 H ASP 86 -3.076 12.993 2.838 747 HA ASP 86 HA ASP 86 -1.579 15.303 2.387 748 HB2 ASP 86 2HB ASP 86 -0.904 13.464 3.908 749 HB3 ASP 86 3HB ASP 86 -0.692 12.383 2.540 750 H VAL 87 H VAL 87 -1.738 12.308 0.461 751 HA VAL 87 HA VAL 87 -0.057 13.199 -1.663 752 HB VAL 87 HB VAL 87 -2.014 10.855 -1.525 753 HG11 VAL 87 1HG1 VAL 87 -0.768 9.886 -3.452 754 HG12 VAL 87 2HG1 VAL 87 0.154 11.382 -3.596 755 HG13 VAL 87 3HG1 VAL 87 -1.586 11.390 -3.887 756 HG21 VAL 87 3HG2 VAL 87 -0.169 10.740 0.136 757 HG22 VAL 87 1HG2 VAL 87 1.013 10.914 -1.163 758 HG23 VAL 87 2HG2 VAL 87 -0.008 9.477 -1.085 759 H LYS 88 H LYS 88 -3.509 13.451 -1.052 760 HA LYS 88 HA LYS 88 -4.290 14.350 -3.679 761 HB2 LYS 88 2HB LYS 88 -5.643 14.619 -0.961 762 HB3 LYS 88 3HB LYS 88 -6.390 15.105 -2.481 763 HG2 LYS 88 2HG LYS 88 -6.435 12.807 -3.263 764 HG3 LYS 88 3HG LYS 88 -5.502 12.268 -1.868 765 HD2 LYS 88 2HD LYS 88 -7.767 11.649 -1.431 766 HD3 LYS 88 3HD LYS 88 -7.428 13.031 -0.393 767 HE2 LYS 88 2HE LYS 88 -8.916 13.181 -3.039 768 HE3 LYS 88 3HE LYS 88 -9.690 13.081 -1.462 769 HZ1 LYS 88 3HZ LYS 88 -7.983 15.298 -2.448 770 HZ2 LYS 88 1HZ LYS 88 -8.626 15.197 -0.891 771 HZ3 LYS 88 2HZ LYS 88 -9.652 15.327 -2.221 772 H GLY 89 H GLY 89 -2.903 15.858 -0.848 773 HA2 GLY 89 2HA GLY 89 -1.839 18.053 -1.071 774 HA3 GLY 89 3HA GLY 89 -3.229 18.582 -2.007 775 H SER 90 H SER 90 -1.859 18.869 0.939 776 HA SER 90 HA SER 90 -4.329 19.661 2.300 777 HB2 SER 90 2HB SER 90 -2.357 17.625 3.449 778 HB3 SER 90 3HB SER 90 -3.599 18.438 4.402 779 HG SER 90 HG SER 90 -4.187 16.943 2.082 780 H GLY 91 H GLY 91 -4.002 21.299 3.797 781 HA2 GLY 91 2HA GLY 91 -1.478 22.717 3.843 782 HA3 GLY 91 3HA GLY 91 -2.957 23.140 4.698 783 H LEU 92 H LEU 92 -0.151 20.996 4.748 784 HA LEU 92 HA LEU 92 -0.545 19.940 7.374 785 HB2 LEU 92 2HB LEU 92 2.056 20.193 5.806 786 HB3 LEU 92 3HB LEU 92 1.796 19.176 7.217 787 HG LEU 92 HG LEU 92 0.578 18.796 4.451 788 HD11 LEU 92 1HD1 LEU 92 1.909 16.736 4.430 789 HD12 LEU 92 2HD1 LEU 92 2.585 17.144 6.009 790 HD13 LEU 92 3HD1 LEU 92 2.926 18.164 4.609 791 HD21 LEU 92 3HD2 LEU 92 -0.419 16.704 5.328 792 HD22 LEU 92 1HD2 LEU 92 -1.090 18.132 6.117 793 HD23 LEU 92 2HD2 LEU 92 0.102 17.140 6.959 794 H GLU 93 H GLU 93 0.761 20.401 9.238 795 HA GLU 93 HA GLU 93 1.022 23.171 9.870 796 HB2 GLU 93 2HB GLU 93 1.783 22.455 12.083 797 HB3 GLU 93 3HB GLU 93 0.372 21.530 11.597 798 HG2 GLU 93 2HG GLU 93 3.203 20.465 11.355 799 HG3 GLU 93 3HG GLU 93 2.221 20.254 12.803 800 H HIS 94 H HIS 94 3.237 23.654 11.248 801 HA HIS 94 HA HIS 94 4.890 24.382 9.020 802 HB2 HIS 94 2HB HIS 94 5.144 25.048 11.988 803 HB3 HIS 94 3HB HIS 94 6.076 25.804 10.693 804 HD1 HIS 94 HD1 HIS 94 4.979 27.717 9.442 805 HD2 HIS 94 HD2 HIS 94 2.281 25.660 11.840 806 HE1 HIS 94 HE1 HIS 94 2.841 29.022 9.334 807 HE2 HIS 94 HE2 HIS 94 1.192 27.671 10.663 808 H HIS 95 H HIS 95 6.217 22.926 8.216 809 HA HIS 95 HA HIS 95 8.116 21.456 9.957 810 HB2 HIS 95 2HB HIS 95 7.853 19.442 8.572 811 HB3 HIS 95 3HB HIS 95 6.303 19.909 9.253 812 HD1 HIS 95 HD1 HIS 95 4.421 20.411 7.631 813 HD2 HIS 95 HD2 HIS 95 8.062 19.871 5.710 814 HE1 HIS 95 HE1 HIS 95 3.886 20.287 5.186 815 HE2 HIS 95 HE2 HIS 95 6.114 20.106 4.045 816 H HIS 96 H HIS 96 7.909 23.779 7.680 817 HA HIS 96 HA HIS 96 9.673 22.896 5.621 818 HB2 HIS 96 2HB HIS 96 8.001 24.708 5.281 819 HB3 HIS 96 3HB HIS 96 8.910 25.748 6.369 820 HD1 HIS 96 HD1 HIS 96 10.341 27.366 5.158 821 HD2 HIS 96 HD2 HIS 96 9.800 23.878 2.961 822 HE1 HIS 96 HE1 HIS 96 11.509 27.756 2.970 823 HE2 HIS 96 HE2 HIS 96 11.214 25.616 1.687 824 H HIS 97 H HIS 97 11.436 22.060 6.680 825 HA HIS 97 HA HIS 97 13.631 23.839 7.165 826 HB2 HIS 97 2HB HIS 97 14.157 22.978 9.481 827 HB3 HIS 97 3HB HIS 97 12.716 23.974 9.410 828 HD1 HIS 97 HD1 HIS 97 10.732 23.066 10.547 829 HD2 HIS 97 HD2 HIS 97 13.447 20.061 9.630 830 HE1 HIS 97 HE1 HIS 97 9.848 21.000 11.654 831 HE2 HIS 97 HE2 HIS 97 11.483 19.186 11.049 832 H HIS 98 H HIS 98 12.545 21.290 5.703 833 HA HIS 98 HA HIS 98 14.704 19.365 6.158 834 HB2 HIS 98 2HB HIS 98 12.439 19.415 4.102 835 HB3 HIS 98 3HB HIS 98 13.632 18.128 4.222 836 HD1 HIS 98 HD1 HIS 98 12.542 16.167 5.214 837 HD2 HIS 98 HD2 HIS 98 11.212 19.677 6.982 838 HE1 HIS 98 HE1 HIS 98 10.874 15.464 6.943 839 HE2 HIS 98 HE2 HIS 98 9.937 17.611 7.819 840 H HIS 99 H HIS 99 16.663 20.001 5.387 841 HA HIS 99 HA HIS 99 16.983 21.807 3.159 842 HB2 HIS 99 2HB HIS 99 18.538 21.928 5.062 843 HB3 HIS 99 3HB HIS 99 19.054 20.265 4.795 844 HD1 HIS 99 HD1 HIS 99 20.719 19.828 2.897 845 HD2 HIS 99 HD2 HIS 99 19.623 23.824 3.233 846 HE1 HIS 99 HE1 HIS 99 22.350 21.098 1.469 847 HE2 HIS 99 HE2 HIS 99 21.765 23.519 1.832 Start of MODEL 15 1 H1 MET 1 1H MET 1 1.566 14.357 -10.602 2 H2 MET 1 2H MET 1 -0.018 14.948 -10.551 3 H3 MET 1 3H MET 1 0.260 13.297 -10.761 4 HA MET 1 HA MET 1 0.972 14.856 -8.350 5 HB2 MET 1 2HB MET 1 -1.511 14.520 -8.659 6 HB3 MET 1 3HB MET 1 -1.242 12.786 -8.723 7 HG2 MET 1 2HG MET 1 -0.303 12.931 -6.378 8 HG3 MET 1 3HG MET 1 -0.814 14.617 -6.343 9 HE1 MET 1 3HE MET 1 -3.672 10.978 -6.480 10 HE2 MET 1 1HE MET 1 -1.924 10.854 -6.307 11 HE3 MET 1 2HE MET 1 -2.623 11.366 -7.844 12 H GLY 2 H GLY 2 2.091 13.664 -6.763 13 HA2 GLY 2 2HA GLY 2 3.379 11.174 -7.345 14 HA3 GLY 2 3HA GLY 2 3.296 11.982 -5.779 15 H ARG 3 H ARG 3 1.845 9.620 -7.858 16 HA ARG 3 HA ARG 3 -0.691 9.277 -6.742 17 HB2 ARG 3 2HB ARG 3 -0.707 7.050 -7.836 18 HB3 ARG 3 3HB ARG 3 -0.088 8.298 -8.910 19 HG2 ARG 3 2HG ARG 3 2.217 7.541 -8.512 20 HG3 ARG 3 3HG ARG 3 1.639 6.324 -7.370 21 HD2 ARG 3 2HD ARG 3 0.928 6.429 -10.319 22 HD3 ARG 3 3HD ARG 3 2.164 5.387 -9.609 23 HE ARG 3 HE ARG 3 -0.133 4.807 -8.218 24 HH11 ARG 3 1HH1 ARG 3 0.759 4.689 -11.628 25 HH12 ARG 3 2HH1 ARG 3 -0.328 3.380 -11.981 26 HH21 ARG 3 1HH2 ARG 3 -1.538 3.096 -8.714 27 HH22 ARG 3 2HH2 ARG 3 -1.625 2.485 -10.336 28 H LEU 4 H LEU 4 -1.546 7.848 -5.253 29 HA LEU 4 HA LEU 4 0.314 6.811 -3.219 30 HB2 LEU 4 2HB LEU 4 -1.498 8.577 -2.661 31 HB3 LEU 4 3HB LEU 4 -2.663 7.281 -2.871 32 HG LEU 4 HG LEU 4 -1.507 5.991 -1.039 33 HD11 LEU 4 1HD1 LEU 4 0.104 7.164 0.407 34 HD12 LEU 4 2HD1 LEU 4 0.135 8.518 -0.722 35 HD13 LEU 4 3HD1 LEU 4 0.721 6.930 -1.226 36 HD21 LEU 4 3HD2 LEU 4 -3.490 7.334 -0.515 37 HD22 LEU 4 1HD2 LEU 4 -2.478 8.751 -0.226 38 HD23 LEU 4 2HD2 LEU 4 -2.353 7.341 0.830 39 H VAL 5 H VAL 5 0.725 4.726 -3.568 40 HA VAL 5 HA VAL 5 -1.399 2.877 -4.452 41 HB VAL 5 HB VAL 5 1.623 2.454 -4.260 42 HG11 VAL 5 1HG1 VAL 5 -0.497 0.492 -5.223 43 HG12 VAL 5 2HG1 VAL 5 0.454 0.338 -3.745 44 HG13 VAL 5 3HG1 VAL 5 1.248 0.244 -5.318 45 HG21 VAL 5 3HG2 VAL 5 1.543 2.329 -6.726 46 HG22 VAL 5 1HG2 VAL 5 0.928 3.884 -6.156 47 HG23 VAL 5 2HG2 VAL 5 -0.196 2.633 -6.695 48 H VAL 6 H VAL 6 -2.557 2.108 -2.825 49 HA VAL 6 HA VAL 6 -1.406 1.837 -0.121 50 HB VAL 6 HB VAL 6 -4.314 1.716 -1.051 51 HG11 VAL 6 1HG1 VAL 6 -3.999 0.370 0.976 52 HG12 VAL 6 2HG1 VAL 6 -4.924 1.828 1.342 53 HG13 VAL 6 3HG1 VAL 6 -3.216 1.734 1.778 54 HG21 VAL 6 3HG2 VAL 6 -4.574 3.936 -0.001 55 HG22 VAL 6 1HG2 VAL 6 -3.372 3.981 -1.296 56 HG23 VAL 6 2HG2 VAL 6 -2.853 3.957 0.391 57 H VAL 7 H VAL 7 -0.360 -0.100 -0.051 58 HA VAL 7 HA VAL 7 -1.460 -2.508 -1.282 59 HB VAL 7 HB VAL 7 1.023 -2.180 0.446 60 HG11 VAL 7 1HG1 VAL 7 0.256 -4.507 0.381 61 HG12 VAL 7 2HG1 VAL 7 1.764 -4.327 -0.518 62 HG13 VAL 7 3HG1 VAL 7 0.233 -4.465 -1.384 63 HG21 VAL 7 3HG2 VAL 7 2.311 -2.139 -1.653 64 HG22 VAL 7 1HG2 VAL 7 1.185 -0.780 -1.563 65 HG23 VAL 7 2HG2 VAL 7 0.808 -2.175 -2.580 66 H VAL 8 H VAL 8 -2.814 -3.811 -0.235 67 HA VAL 8 HA VAL 8 -3.023 -3.766 2.725 68 HB VAL 8 HB VAL 8 -5.428 -4.341 2.483 69 HG11 VAL 8 1HG1 VAL 8 -6.252 -2.130 1.761 70 HG12 VAL 8 2HG1 VAL 8 -4.686 -1.777 1.023 71 HG13 VAL 8 3HG1 VAL 8 -4.812 -1.982 2.771 72 HG21 VAL 8 3HG2 VAL 8 -5.030 -3.902 -0.507 73 HG22 VAL 8 1HG2 VAL 8 -6.577 -4.175 0.302 74 HG23 VAL 8 2HG2 VAL 8 -5.359 -5.448 0.278 75 H THR 9 H THR 9 -3.494 -5.785 3.712 76 HA THR 9 HA THR 9 -2.666 -8.170 2.183 77 HB THR 9 HB THR 9 -2.456 -9.159 4.537 78 HG1 THR 9 HG1 THR 9 -2.378 -7.506 6.212 79 HG21 THR 9 3HG2 THR 9 -0.356 -7.969 5.065 80 HG22 THR 9 1HG2 THR 9 -0.793 -6.669 3.948 81 HG23 THR 9 2HG2 THR 9 -0.466 -8.293 3.336 82 H SER 10 H SER 10 -5.547 -6.720 2.895 83 HA SER 10 HA SER 10 -7.028 -9.266 2.734 84 HB2 SER 10 2HB SER 10 -7.738 -6.988 4.652 85 HB3 SER 10 3HB SER 10 -8.692 -8.452 4.395 86 HG SER 10 HG SER 10 -6.396 -9.400 4.965 87 H GLU 11 H GLU 11 -8.650 -9.216 1.277 88 HA GLU 11 HA GLU 11 -8.976 -7.070 -0.550 89 HB2 GLU 11 2HB GLU 11 -9.319 -9.509 -1.078 90 HB3 GLU 11 3HB GLU 11 -10.810 -9.477 -0.143 91 HG2 GLU 11 2HG GLU 11 -11.794 -7.859 -1.712 92 HG3 GLU 11 3HG GLU 11 -10.285 -7.794 -2.626 93 H GLN 12 H GLN 12 -10.570 -7.963 2.388 94 HA GLN 12 HA GLN 12 -12.918 -6.436 2.281 95 HB2 GLN 12 2HB GLN 12 -11.165 -7.173 4.666 96 HB3 GLN 12 3HB GLN 12 -12.761 -6.448 4.809 97 HG2 GLN 12 2HG GLN 12 -12.965 -8.812 5.218 98 HG3 GLN 12 3HG GLN 12 -13.747 -8.446 3.686 99 HE21 GLN 12 1HE2 GLN 12 -10.994 -9.970 5.197 100 HE22 GLN 12 2HE2 GLN 12 -10.516 -10.931 3.844 101 H LEU 13 H LEU 13 -9.595 -5.634 3.135 102 HA LEU 13 HA LEU 13 -10.084 -2.856 3.749 103 HB2 LEU 13 2HB LEU 13 -7.480 -4.361 3.282 104 HB3 LEU 13 3HB LEU 13 -7.594 -2.713 3.884 105 HG LEU 13 HG LEU 13 -8.616 -5.190 5.328 106 HD11 LEU 13 1HD1 LEU 13 -6.792 -4.799 6.918 107 HD12 LEU 13 2HD1 LEU 13 -6.197 -3.463 5.929 108 HD13 LEU 13 3HD1 LEU 13 -6.177 -5.111 5.296 109 HD21 LEU 13 3HD2 LEU 13 -9.028 -3.698 7.230 110 HD22 LEU 13 1HD2 LEU 13 -10.003 -3.247 5.835 111 HD23 LEU 13 2HD2 LEU 13 -8.573 -2.300 6.253 112 H LYS 14 H LYS 14 -9.087 -4.714 0.903 113 HA LYS 14 HA LYS 14 -8.169 -2.615 -0.734 114 HB2 LYS 14 2HB LYS 14 -7.878 -5.006 -1.324 115 HB3 LYS 14 3HB LYS 14 -9.618 -5.169 -1.539 116 HG2 LYS 14 2HG LYS 14 -9.374 -3.337 -3.360 117 HG3 LYS 14 3HG LYS 14 -7.640 -3.670 -3.275 118 HD2 LYS 14 2HD LYS 14 -8.007 -6.003 -3.929 119 HD3 LYS 14 3HD LYS 14 -9.760 -5.786 -3.844 120 HE2 LYS 14 2HE LYS 14 -9.498 -4.018 -5.663 121 HE3 LYS 14 3HE LYS 14 -7.836 -4.582 -5.846 122 HZ1 LYS 14 3HZ LYS 14 -9.400 -5.602 -7.422 123 HZ2 LYS 14 1HZ LYS 14 -10.236 -6.305 -6.135 124 HZ3 LYS 14 2HZ LYS 14 -8.636 -6.744 -6.440 125 H GLU 15 H GLU 15 -11.366 -4.133 -0.595 126 HA GLU 15 HA GLU 15 -12.737 -2.348 -2.273 127 HB2 GLU 15 2HB GLU 15 -13.860 -4.121 -0.062 128 HB3 GLU 15 3HB GLU 15 -14.793 -3.394 -1.363 129 HG2 GLU 15 2HG GLU 15 -12.718 -5.585 -1.586 130 HG3 GLU 15 3HG GLU 15 -14.451 -5.716 -1.864 131 H GLU 16 H GLU 16 -12.005 -2.304 1.178 132 HA GLU 16 HA GLU 16 -13.883 -0.368 2.015 133 HB2 GLU 16 2HB GLU 16 -12.576 -1.890 3.547 134 HB3 GLU 16 3HB GLU 16 -11.134 -0.946 3.201 135 HG2 GLU 16 2HG GLU 16 -12.059 -0.303 5.357 136 HG3 GLU 16 3HG GLU 16 -12.188 1.044 4.223 137 H VAL 17 H VAL 17 -10.363 -0.012 1.453 138 HA VAL 17 HA VAL 17 -10.273 2.770 1.746 139 HB VAL 17 HB VAL 17 -8.305 0.938 0.295 140 HG11 VAL 17 1HG1 VAL 17 -6.608 2.706 0.732 141 HG12 VAL 17 2HG1 VAL 17 -7.887 3.766 1.330 142 HG13 VAL 17 3HG1 VAL 17 -7.883 3.257 -0.359 143 HG21 VAL 17 3HG2 VAL 17 -8.665 0.280 2.649 144 HG22 VAL 17 1HG2 VAL 17 -8.295 1.923 3.176 145 HG23 VAL 17 2HG2 VAL 17 -7.040 0.934 2.422 146 H ARG 18 H ARG 18 -10.829 0.812 -1.199 147 HA ARG 18 HA ARG 18 -10.769 3.133 -2.943 148 HB2 ARG 18 2HB ARG 18 -11.607 0.261 -3.472 149 HB3 ARG 18 3HB ARG 18 -11.658 1.529 -4.699 150 HG2 ARG 18 2HG ARG 18 -9.227 1.905 -4.384 151 HG3 ARG 18 3HG ARG 18 -9.198 0.584 -3.215 152 HD2 ARG 18 2HD ARG 18 -8.368 -0.213 -5.342 153 HD3 ARG 18 3HD ARG 18 -9.917 -0.976 -4.999 154 HE ARG 18 HE ARG 18 -10.774 -0.027 -6.880 155 HH11 ARG 18 1HH1 ARG 18 -7.885 1.835 -6.082 156 HH12 ARG 18 2HH1 ARG 18 -7.925 2.744 -7.553 157 HH21 ARG 18 1HH2 ARG 18 -10.739 1.113 -8.837 158 HH22 ARG 18 2HH2 ARG 18 -9.538 2.336 -9.110 159 H LYS 19 H LYS 19 -13.287 1.489 -1.111 160 HA LYS 19 HA LYS 19 -15.543 2.692 -2.407 161 HB2 LYS 19 2HB LYS 19 -15.770 0.749 -0.871 162 HB3 LYS 19 3HB LYS 19 -15.243 1.747 0.480 163 HG2 LYS 19 2HG LYS 19 -17.286 3.194 0.113 164 HG3 LYS 19 3HG LYS 19 -17.828 2.036 -1.102 165 HD2 LYS 19 2HD LYS 19 -17.356 1.446 1.844 166 HD3 LYS 19 3HD LYS 19 -18.929 1.655 1.076 167 HE2 LYS 19 2HE LYS 19 -16.950 -0.556 0.412 168 HE3 LYS 19 3HE LYS 19 -18.357 -0.728 1.460 169 HZ1 LYS 19 3HZ LYS 19 -18.429 -0.020 -1.418 170 HZ2 LYS 19 1HZ LYS 19 -19.778 -0.192 -0.416 171 HZ3 LYS 19 2HZ LYS 19 -18.804 -1.528 -0.761 172 H LYS 20 H LYS 20 -13.508 3.567 0.326 173 HA LYS 20 HA LYS 20 -14.839 6.004 1.048 174 HB2 LYS 20 2HB LYS 20 -12.006 5.071 1.688 175 HB3 LYS 20 3HB LYS 20 -12.909 6.313 2.553 176 HG2 LYS 20 2HG LYS 20 -14.415 4.700 3.498 177 HG3 LYS 20 3HG LYS 20 -13.855 3.436 2.400 178 HD2 LYS 20 2HD LYS 20 -12.912 3.014 4.584 179 HD3 LYS 20 3HD LYS 20 -11.612 3.521 3.503 180 HE2 LYS 20 2HE LYS 20 -11.367 4.566 5.692 181 HE3 LYS 20 3HE LYS 20 -11.721 5.799 4.479 182 HZ1 LYS 20 3HZ LYS 20 -14.051 5.744 5.206 183 HZ2 LYS 20 1HZ LYS 20 -13.011 6.167 6.471 184 HZ3 LYS 20 2HZ LYS 20 -13.663 4.612 6.395 185 H PHE 21 H PHE 21 -11.956 5.128 -0.829 186 HA PHE 21 HA PHE 21 -11.792 7.823 -2.036 187 HB2 PHE 21 2HB PHE 21 -9.262 6.334 -1.227 188 HB3 PHE 21 3HB PHE 21 -9.434 8.016 -1.702 189 HD1 PHE 21 HD1 PHE 21 -10.531 9.658 -0.072 190 HD2 PHE 21 HD2 PHE 21 -9.412 5.682 1.059 191 HE1 PHE 21 HE1 PHE 21 -10.620 10.292 2.306 192 HE2 PHE 21 HE2 PHE 21 -9.514 6.337 3.423 193 HZ PHE 21 HZ PHE 21 -10.101 8.626 4.046 194 HA PRO 22 HA PRO 22 -11.573 4.603 -5.412 195 HB2 PRO 22 2HB PRO 22 -12.969 6.060 -7.273 196 HB3 PRO 22 3HB PRO 22 -13.776 5.105 -6.012 197 HG2 PRO 22 2HG PRO 22 -13.228 8.062 -6.057 198 HG3 PRO 22 3HG PRO 22 -14.721 7.202 -5.610 199 HD2 PRO 22 2HD PRO 22 -12.969 8.128 -3.737 200 HD3 PRO 22 3HD PRO 22 -13.933 6.655 -3.490 201 H GLN 23 H GLN 23 -10.360 7.638 -4.837 202 HA GLN 23 HA GLN 23 -8.997 8.216 -7.305 203 HB2 GLN 23 2HB GLN 23 -8.060 10.126 -5.970 204 HB3 GLN 23 3HB GLN 23 -9.821 10.050 -5.959 205 HG2 GLN 23 2HG GLN 23 -9.713 8.934 -3.710 206 HG3 GLN 23 3HG GLN 23 -7.967 9.175 -3.713 207 HE21 GLN 23 1HE2 GLN 23 -9.931 10.196 -1.830 208 HE22 GLN 23 2HE2 GLN 23 -9.783 11.915 -1.868 209 H VAL 24 H VAL 24 -8.244 6.340 -4.460 210 HA VAL 24 HA VAL 24 -5.342 6.410 -5.068 211 HB VAL 24 HB VAL 24 -4.931 5.409 -2.858 212 HG11 VAL 24 1HG1 VAL 24 -4.959 7.851 -3.033 213 HG12 VAL 24 2HG1 VAL 24 -5.545 7.340 -1.449 214 HG13 VAL 24 3HG1 VAL 24 -6.689 7.884 -2.681 215 HG21 VAL 24 3HG2 VAL 24 -6.736 5.158 -1.179 216 HG22 VAL 24 1HG2 VAL 24 -6.971 4.091 -2.565 217 HG23 VAL 24 2HG2 VAL 24 -7.935 5.559 -2.413 218 H GLU 25 H GLU 25 -4.214 4.558 -5.493 219 HA GLU 25 HA GLU 25 -5.817 2.380 -6.635 220 HB2 GLU 25 2HB GLU 25 -2.890 3.106 -7.044 221 HB3 GLU 25 3HB GLU 25 -3.769 1.857 -7.924 222 HG2 GLU 25 2HG GLU 25 -4.416 4.825 -7.990 223 HG3 GLU 25 3HG GLU 25 -3.506 3.961 -9.222 224 H VAL 26 H VAL 26 -6.181 0.786 -5.279 225 HA VAL 26 HA VAL 26 -4.279 0.171 -3.112 226 HB VAL 26 HB VAL 26 -7.230 -0.584 -3.368 227 HG11 VAL 26 1HG1 VAL 26 -6.021 -2.196 -1.972 228 HG12 VAL 26 2HG1 VAL 26 -7.056 -1.186 -0.960 229 HG13 VAL 26 3HG1 VAL 26 -5.321 -0.881 -1.023 230 HG21 VAL 26 3HG2 VAL 26 -5.949 1.574 -1.659 231 HG22 VAL 26 1HG2 VAL 26 -7.662 1.162 -1.707 232 HG23 VAL 26 2HG2 VAL 26 -6.882 1.864 -3.128 233 H ARG 27 H ARG 27 -3.067 -1.572 -3.319 234 HA ARG 27 HA ARG 27 -3.760 -3.699 -5.257 235 HB2 ARG 27 2HB ARG 27 -1.111 -2.775 -4.062 236 HB3 ARG 27 3HB ARG 27 -1.270 -4.268 -4.980 237 HG2 ARG 27 2HG ARG 27 -1.879 -1.493 -6.047 238 HG3 ARG 27 3HG ARG 27 -0.419 -2.430 -6.380 239 HD2 ARG 27 2HD ARG 27 -1.813 -4.184 -7.463 240 HD3 ARG 27 3HD ARG 27 -3.256 -3.210 -7.147 241 HE ARG 27 HE ARG 27 -1.094 -2.028 -8.727 242 HH11 ARG 27 1HH1 ARG 27 -4.315 -3.453 -8.729 243 HH12 ARG 27 2HH1 ARG 27 -4.697 -2.866 -10.316 244 HH21 ARG 27 1HH2 ARG 27 -1.594 -1.306 -10.800 245 HH22 ARG 27 2HH2 ARG 27 -3.152 -1.649 -11.488 246 H LEU 28 H LEU 28 -4.232 -5.685 -4.563 247 HA LEU 28 HA LEU 28 -4.355 -6.244 -1.694 248 HB2 LEU 28 2HB LEU 28 -6.375 -6.662 -2.930 249 HB3 LEU 28 3HB LEU 28 -5.520 -7.576 -4.162 250 HG LEU 28 HG LEU 28 -5.098 -9.403 -2.515 251 HD11 LEU 28 1HD1 LEU 28 -6.764 -7.758 -0.604 252 HD12 LEU 28 2HD1 LEU 28 -5.046 -8.138 -0.453 253 HD13 LEU 28 3HD1 LEU 28 -6.244 -9.426 -0.349 254 HD21 LEU 28 3HD2 LEU 28 -8.016 -8.650 -2.796 255 HD22 LEU 28 1HD2 LEU 28 -7.398 -10.251 -2.378 256 HD23 LEU 28 2HD2 LEU 28 -7.044 -9.558 -3.959 257 H VAL 29 H VAL 29 -3.135 -7.734 -0.675 258 HA VAL 29 HA VAL 29 -1.460 -9.625 -2.210 259 HB VAL 29 HB VAL 29 -0.849 -8.346 0.500 260 HG11 VAL 29 1HG1 VAL 29 0.822 -10.321 -1.105 261 HG12 VAL 29 2HG1 VAL 29 0.005 -10.654 0.423 262 HG13 VAL 29 3HG1 VAL 29 1.341 -9.502 0.371 263 HG21 VAL 29 3HG2 VAL 29 1.024 -7.227 -0.659 264 HG22 VAL 29 1HG2 VAL 29 -0.532 -6.768 -1.354 265 HG23 VAL 29 2HG2 VAL 29 0.500 -7.931 -2.191 266 H THR 30 H THR 30 -2.757 -11.408 -2.163 267 HA THR 30 HA THR 30 -3.678 -12.487 0.440 268 HB THR 30 HB THR 30 -4.798 -14.256 -1.014 269 HG1 THR 30 HG1 THR 30 -3.294 -13.226 -2.923 270 HG21 THR 30 3HG2 THR 30 -6.638 -12.802 -1.797 271 HG22 THR 30 1HG2 THR 30 -5.619 -11.382 -1.583 272 HG23 THR 30 2HG2 THR 30 -6.106 -12.339 -0.180 273 H THR 31 H THR 31 -1.487 -12.963 -2.230 274 HA THR 31 HA THR 31 0.034 -15.013 -0.718 275 HB THR 31 HB THR 31 0.868 -15.849 -2.938 276 HG1 THR 31 HG1 THR 31 -1.098 -14.081 -4.000 277 HG21 THR 31 3HG2 THR 31 -2.165 -15.937 -2.732 278 HG22 THR 31 1HG2 THR 31 -1.053 -17.030 -1.899 279 HG23 THR 31 2HG2 THR 31 -1.165 -17.056 -3.661 280 H GLU 32 H GLU 32 2.335 -14.644 -0.738 281 HA GLU 32 HA GLU 32 3.143 -11.948 -0.670 282 HB2 GLU 32 2HB GLU 32 4.263 -13.759 0.619 283 HB3 GLU 32 3HB GLU 32 4.929 -14.405 -0.880 284 HG2 GLU 32 2HG GLU 32 6.173 -12.273 -1.225 285 HG3 GLU 32 3HG GLU 32 5.540 -11.667 0.305 286 H GLU 33 H GLU 33 3.161 -14.298 -3.282 287 HA GLU 33 HA GLU 33 4.896 -13.114 -5.125 288 HB2 GLU 33 2HB GLU 33 2.341 -14.704 -5.615 289 HB3 GLU 33 3HB GLU 33 3.463 -14.241 -6.894 290 HG2 GLU 33 2HG GLU 33 5.266 -15.515 -5.694 291 HG3 GLU 33 3HG GLU 33 4.045 -16.071 -4.550 292 H ASP 34 H ASP 34 1.488 -12.365 -4.382 293 HA ASP 34 HA ASP 34 0.964 -10.424 -6.330 294 HB2 ASP 34 2HB ASP 34 -0.017 -10.516 -3.437 295 HB3 ASP 34 3HB ASP 34 -0.647 -9.404 -4.643 296 H ALA 35 H ALA 35 2.358 -10.063 -3.069 297 HA ALA 35 HA ALA 35 2.729 -7.285 -3.000 298 HB1 ALA 35 3HB ALA 35 2.907 -8.690 -0.983 299 HB2 ALA 35 1HB ALA 35 4.359 -7.710 -1.186 300 HB3 ALA 35 2HB ALA 35 4.388 -9.427 -1.600 301 H LYS 36 H LYS 36 4.874 -9.867 -4.164 302 HA LYS 36 HA LYS 36 7.166 -8.330 -4.723 303 HB2 LYS 36 2HB LYS 36 6.183 -10.936 -5.963 304 HB3 LYS 36 3HB LYS 36 7.810 -10.284 -6.151 305 HG2 LYS 36 2HG LYS 36 8.175 -10.479 -3.708 306 HG3 LYS 36 3HG LYS 36 6.544 -11.137 -3.528 307 HD2 LYS 36 2HD LYS 36 8.202 -12.959 -3.538 308 HD3 LYS 36 3HD LYS 36 7.156 -13.071 -4.955 309 HE2 LYS 36 2HE LYS 36 8.931 -12.023 -6.334 310 HE3 LYS 36 3HE LYS 36 9.969 -11.916 -4.910 311 HZ1 LYS 36 3HZ LYS 36 9.873 -14.362 -4.756 312 HZ2 LYS 36 1HZ LYS 36 10.569 -13.827 -6.200 313 HZ3 LYS 36 2HZ LYS 36 8.988 -14.410 -6.195 314 H GLN 37 H GLN 37 4.409 -9.261 -6.784 315 HA GLN 37 HA GLN 37 5.336 -8.081 -9.208 316 HB2 GLN 37 2HB GLN 37 2.513 -8.799 -8.308 317 HB3 GLN 37 3HB GLN 37 2.933 -8.325 -9.951 318 HG2 GLN 37 2HG GLN 37 4.292 -10.293 -10.257 319 HG3 GLN 37 3HG GLN 37 4.136 -10.728 -8.554 320 HE21 GLN 37 1HE2 GLN 37 2.154 -11.593 -7.818 321 HE22 GLN 37 2HE2 GLN 37 0.991 -12.253 -8.905 322 H VAL 38 H VAL 38 3.447 -6.872 -6.491 323 HA VAL 38 HA VAL 38 2.723 -4.344 -7.553 324 HB VAL 38 HB VAL 38 3.089 -5.215 -4.640 325 HG11 VAL 38 1HG1 VAL 38 1.690 -3.254 -4.037 326 HG12 VAL 38 2HG1 VAL 38 1.716 -2.724 -5.720 327 HG13 VAL 38 3HG1 VAL 38 3.212 -2.763 -4.787 328 HG21 VAL 38 3HG2 VAL 38 0.641 -5.480 -4.613 329 HG22 VAL 38 1HG2 VAL 38 1.353 -6.485 -5.875 330 HG23 VAL 38 2HG2 VAL 38 0.553 -4.978 -6.303 331 H ILE 39 H ILE 39 5.560 -5.464 -5.668 332 HA ILE 39 HA ILE 39 6.904 -3.041 -5.282 333 HB ILE 39 HB ILE 39 8.079 -5.818 -5.773 334 HG12 ILE 39 2HG1 ILE 39 7.675 -4.318 -3.147 335 HG13 ILE 39 3HG1 ILE 39 6.629 -5.599 -3.741 336 HG21 ILE 39 1HG2 ILE 39 10.182 -4.999 -4.786 337 HG22 ILE 39 2HG2 ILE 39 9.510 -3.373 -4.676 338 HG23 ILE 39 3HG2 ILE 39 9.785 -4.106 -6.256 339 HD11 ILE 39 3HD1 ILE 39 9.530 -5.887 -2.963 340 HD12 ILE 39 1HD1 ILE 39 8.518 -7.174 -3.630 341 HD13 ILE 39 2HD1 ILE 39 8.123 -6.459 -2.071 342 H LYS 40 H LYS 40 7.054 -5.310 -8.044 343 HA LYS 40 HA LYS 40 8.937 -3.976 -9.639 344 HB2 LYS 40 2HB LYS 40 6.579 -5.632 -10.631 345 HB3 LYS 40 3HB LYS 40 8.049 -5.269 -11.533 346 HG2 LYS 40 2HG LYS 40 9.335 -6.559 -9.766 347 HG3 LYS 40 3HG LYS 40 7.780 -7.038 -9.088 348 HD2 LYS 40 2HD LYS 40 8.347 -8.866 -10.450 349 HD3 LYS 40 3HD LYS 40 7.249 -7.946 -11.476 350 HE2 LYS 40 2HE LYS 40 10.283 -7.833 -11.630 351 HE3 LYS 40 3HE LYS 40 9.255 -8.803 -12.680 352 HZ1 LYS 40 3HZ LYS 40 8.259 -6.778 -13.533 353 HZ2 LYS 40 1HZ LYS 40 9.932 -6.741 -13.739 354 HZ3 LYS 40 2HZ LYS 40 9.215 -5.834 -12.508 355 H GLU 41 H GLU 41 5.438 -3.593 -9.356 356 HA GLU 41 HA GLU 41 5.007 -1.812 -11.516 357 HB2 GLU 41 2HB GLU 41 3.186 -3.118 -10.514 358 HB3 GLU 41 3HB GLU 41 3.397 -2.292 -8.972 359 HG2 GLU 41 2HG GLU 41 2.743 -0.152 -10.048 360 HG3 GLU 41 3HG GLU 41 2.485 -1.010 -11.566 361 H ILE 42 H ILE 42 5.516 -1.298 -8.046 362 HA ILE 42 HA ILE 42 5.254 1.490 -7.931 363 HB ILE 42 HB ILE 42 6.925 -0.364 -6.167 364 HG12 ILE 42 2HG1 ILE 42 4.125 0.741 -5.625 365 HG13 ILE 42 3HG1 ILE 42 4.422 -0.858 -6.293 366 HG21 ILE 42 1HG2 ILE 42 5.972 2.455 -5.592 367 HG22 ILE 42 2HG2 ILE 42 7.639 1.974 -5.900 368 HG23 ILE 42 3HG2 ILE 42 6.809 1.402 -4.453 369 HD11 ILE 42 3HD1 ILE 42 3.968 -0.968 -3.917 370 HD12 ILE 42 1HD1 ILE 42 5.325 0.107 -3.576 371 HD13 ILE 42 2HD1 ILE 42 5.615 -1.497 -4.254 372 H GLN 43 H GLN 43 8.013 -0.578 -8.696 373 HA GLN 43 HA GLN 43 9.986 1.481 -8.882 374 HB2 GLN 43 2HB GLN 43 9.916 -1.367 -9.955 375 HB3 GLN 43 3HB GLN 43 11.318 -0.314 -10.118 376 HG2 GLN 43 2HG GLN 43 11.563 -0.200 -7.690 377 HG3 GLN 43 3HG GLN 43 10.095 -1.155 -7.472 378 HE21 GLN 43 1HE2 GLN 43 11.279 -2.686 -6.285 379 HE22 GLN 43 2HE2 GLN 43 12.335 -3.821 -7.042 380 H LYS 44 H LYS 44 7.873 -0.133 -11.249 381 HA LYS 44 HA LYS 44 9.109 0.936 -13.577 382 HB2 LYS 44 2HB LYS 44 7.628 -1.178 -13.366 383 HB3 LYS 44 3HB LYS 44 6.240 -0.106 -13.435 384 HG2 LYS 44 2HG LYS 44 8.346 -0.155 -15.618 385 HG3 LYS 44 3HG LYS 44 6.989 -1.274 -15.622 386 HD2 LYS 44 2HD LYS 44 5.406 0.568 -15.827 387 HD3 LYS 44 3HD LYS 44 6.692 1.755 -15.619 388 HE2 LYS 44 2HE LYS 44 6.526 -0.182 -17.956 389 HE3 LYS 44 3HE LYS 44 5.938 1.483 -17.990 390 HZ1 LYS 44 3HZ LYS 44 8.146 1.311 -18.944 391 HZ2 LYS 44 1HZ LYS 44 8.762 0.664 -17.507 392 HZ3 LYS 44 2HZ LYS 44 8.193 2.255 -17.546 393 H LYS 45 H LYS 45 6.115 1.874 -11.818 394 HA LYS 45 HA LYS 45 5.578 4.133 -13.533 395 HB2 LYS 45 2HB LYS 45 4.294 3.181 -10.939 396 HB3 LYS 45 3HB LYS 45 3.862 4.730 -11.657 397 HG2 LYS 45 2HG LYS 45 2.215 3.192 -12.389 398 HG3 LYS 45 3HG LYS 45 3.269 3.490 -13.772 399 HD2 LYS 45 2HD LYS 45 4.476 1.265 -12.660 400 HD3 LYS 45 3HD LYS 45 2.789 0.981 -12.240 401 HE2 LYS 45 2HE LYS 45 3.917 1.410 -15.012 402 HE3 LYS 45 3HE LYS 45 3.328 -0.108 -14.342 403 HZ1 LYS 45 3HZ LYS 45 1.111 0.955 -14.162 404 HZ2 LYS 45 1HZ LYS 45 1.654 0.801 -15.752 405 HZ3 LYS 45 2HZ LYS 45 1.719 2.302 -14.983 406 H GLY 46 H GLY 46 7.511 3.608 -10.738 407 HA2 GLY 46 2HA GLY 46 8.928 5.013 -9.574 408 HA3 GLY 46 3HA GLY 46 8.546 6.290 -10.725 409 H VAL 47 H VAL 47 6.636 4.407 -8.382 410 HA VAL 47 HA VAL 47 4.899 6.575 -7.705 411 HB VAL 47 HB VAL 47 5.333 3.956 -6.204 412 HG11 VAL 47 1HG1 VAL 47 4.138 5.602 -4.835 413 HG12 VAL 47 2HG1 VAL 47 3.064 4.284 -5.303 414 HG13 VAL 47 3HG1 VAL 47 2.956 5.842 -6.126 415 HG21 VAL 47 3HG2 VAL 47 3.418 3.054 -7.472 416 HG22 VAL 47 1HG2 VAL 47 4.754 3.490 -8.541 417 HG23 VAL 47 2HG2 VAL 47 3.340 4.540 -8.421 418 H GLN 48 H GLN 48 5.033 8.001 -5.962 419 HA GLN 48 HA GLN 48 7.625 8.290 -4.702 420 HB2 GLN 48 2HB GLN 48 6.389 10.248 -5.582 421 HB3 GLN 48 3HB GLN 48 5.067 9.936 -4.464 422 HG2 GLN 48 2HG GLN 48 6.514 10.452 -2.555 423 HG3 GLN 48 3HG GLN 48 7.897 10.665 -3.631 424 HE21 GLN 48 1HE2 GLN 48 6.645 12.579 -1.760 425 HE22 GLN 48 2HE2 GLN 48 6.256 13.966 -2.715 426 H LYS 49 H LYS 49 4.255 8.013 -3.515 427 HA LYS 49 HA LYS 49 5.265 7.085 -0.884 428 HB2 LYS 49 2HB LYS 49 2.788 8.732 -1.541 429 HB3 LYS 49 3HB LYS 49 3.188 8.119 0.064 430 HG2 LYS 49 2HG LYS 49 5.251 9.469 0.083 431 HG3 LYS 49 3HG LYS 49 4.881 10.086 -1.528 432 HD2 LYS 49 2HD LYS 49 3.119 10.495 0.921 433 HD3 LYS 49 3HD LYS 49 4.305 11.666 0.341 434 HE2 LYS 49 2HE LYS 49 1.936 10.668 -1.280 435 HE3 LYS 49 3HE LYS 49 1.988 12.189 -0.385 436 HZ1 LYS 49 3HZ LYS 49 3.816 12.918 -1.759 437 HZ2 LYS 49 1HZ LYS 49 2.486 12.513 -2.719 438 HZ3 LYS 49 2HZ LYS 49 3.804 11.462 -2.616 439 H VAL 50 H VAL 50 4.631 5.149 -0.208 440 HA VAL 50 HA VAL 50 2.240 3.836 -1.367 441 HB VAL 50 HB VAL 50 4.956 2.576 -0.740 442 HG11 VAL 50 1HG1 VAL 50 2.399 1.150 -1.561 443 HG12 VAL 50 2HG1 VAL 50 3.197 1.027 0.008 444 HG13 VAL 50 3HG1 VAL 50 3.995 0.404 -1.437 445 HG21 VAL 50 3HG2 VAL 50 4.856 3.714 -2.917 446 HG22 VAL 50 1HG2 VAL 50 3.413 2.794 -3.352 447 HG23 VAL 50 2HG2 VAL 50 4.959 1.967 -3.140 448 H VAL 51 H VAL 51 0.825 3.082 0.099 449 HA VAL 51 HA VAL 51 1.466 3.313 2.970 450 HB VAL 51 HB VAL 51 -1.252 3.340 1.579 451 HG11 VAL 51 1HG1 VAL 51 -0.579 3.711 4.521 452 HG12 VAL 51 2HG1 VAL 51 -1.436 2.339 3.815 453 HG13 VAL 51 3HG1 VAL 51 -2.173 3.941 3.799 454 HG21 VAL 51 3HG2 VAL 51 -1.350 5.707 2.228 455 HG22 VAL 51 1HG2 VAL 51 0.048 5.401 1.193 456 HG23 VAL 51 2HG2 VAL 51 0.264 5.599 2.934 457 H LEU 52 H LEU 52 2.125 1.411 3.671 458 HA LEU 52 HA LEU 52 1.037 -1.139 2.785 459 HB2 LEU 52 2HB LEU 52 3.254 -0.413 4.748 460 HB3 LEU 52 3HB LEU 52 2.860 -2.052 4.250 461 HG LEU 52 HG LEU 52 3.811 0.124 2.342 462 HD11 LEU 52 1HD1 LEU 52 5.963 -1.035 2.267 463 HD12 LEU 52 2HD1 LEU 52 5.422 -2.162 3.516 464 HD13 LEU 52 3HD1 LEU 52 5.612 -0.448 3.890 465 HD21 LEU 52 3HD2 LEU 52 2.451 -1.533 1.239 466 HD22 LEU 52 1HD2 LEU 52 3.418 -2.846 1.913 467 HD23 LEU 52 2HD2 LEU 52 4.130 -1.717 0.753 468 H VAL 53 H VAL 53 -1.010 -1.282 3.610 469 HA VAL 53 HA VAL 53 -1.615 -0.777 6.416 470 HB VAL 53 HB VAL 53 -3.506 -1.686 4.192 471 HG11 VAL 53 1HG1 VAL 53 -4.131 -0.540 6.942 472 HG12 VAL 53 2HG1 VAL 53 -4.377 -2.213 6.435 473 HG13 VAL 53 3HG1 VAL 53 -5.321 -0.919 5.693 474 HG21 VAL 53 3HG2 VAL 53 -3.015 1.130 5.221 475 HG22 VAL 53 1HG2 VAL 53 -4.250 0.662 4.050 476 HG23 VAL 53 2HG2 VAL 53 -2.539 0.507 3.641 477 H GLY 54 H GLY 54 -1.453 -2.324 7.879 478 HA2 GLY 54 2HA GLY 54 -1.852 -4.257 9.027 479 HA3 GLY 54 3HA GLY 54 -2.848 -4.783 7.679 480 H VAL 55 H VAL 55 0.543 -3.950 7.279 481 HA VAL 55 HA VAL 55 1.087 -6.703 6.395 482 HB VAL 55 HB VAL 55 3.076 -5.840 5.282 483 HG11 VAL 55 1HG1 VAL 55 0.980 -5.617 4.041 484 HG12 VAL 55 2HG1 VAL 55 2.069 -4.289 3.637 485 HG13 VAL 55 3HG1 VAL 55 0.707 -4.014 4.728 486 HG21 VAL 55 3HG2 VAL 55 3.843 -4.188 6.912 487 HG22 VAL 55 1HG2 VAL 55 2.473 -3.135 6.539 488 HG23 VAL 55 2HG2 VAL 55 3.714 -3.439 5.320 489 H SER 56 H SER 56 2.743 -7.927 7.257 490 HA SER 56 HA SER 56 3.780 -7.364 9.886 491 HB2 SER 56 2HB SER 56 4.651 -9.485 7.863 492 HB3 SER 56 3HB SER 56 5.017 -9.481 9.592 493 HG SER 56 HG SER 56 2.328 -9.277 8.944 494 H GLU 57 H GLU 57 6.168 -7.241 10.307 495 HA GLU 57 HA GLU 57 7.401 -5.174 8.774 496 HB2 GLU 57 2HB GLU 57 8.315 -6.821 11.144 497 HB3 GLU 57 3HB GLU 57 9.425 -5.714 10.343 498 HG2 GLU 57 2HG GLU 57 8.389 -4.698 12.332 499 HG3 GLU 57 3HG GLU 57 7.997 -3.821 10.856 500 H LYS 58 H LYS 58 7.586 -8.635 8.644 501 HA LYS 58 HA LYS 58 9.880 -8.995 7.053 502 HB2 LYS 58 2HB LYS 58 7.271 -10.571 6.969 503 HB3 LYS 58 3HB LYS 58 8.809 -11.105 6.291 504 HG2 LYS 58 2HG LYS 58 9.794 -11.169 8.545 505 HG3 LYS 58 3HG LYS 58 8.265 -10.607 9.235 506 HD2 LYS 58 2HD LYS 58 7.168 -12.682 8.267 507 HD3 LYS 58 3HD LYS 58 8.776 -13.244 7.800 508 HE2 LYS 58 2HE LYS 58 8.065 -14.280 9.907 509 HE3 LYS 58 3HE LYS 58 9.464 -13.238 10.176 510 HZ1 LYS 58 3HZ LYS 58 6.657 -12.385 10.662 511 HZ2 LYS 58 1HZ LYS 58 8.071 -11.566 11.103 512 HZ3 LYS 58 2HZ LYS 58 7.667 -13.025 11.857 513 H LEU 59 H LEU 59 6.599 -8.000 6.268 514 HA LEU 59 HA LEU 59 7.079 -7.894 3.388 515 HB2 LEU 59 2HB LEU 59 4.635 -7.122 5.040 516 HB3 LEU 59 3HB LEU 59 4.701 -7.115 3.283 517 HG LEU 59 HG LEU 59 4.936 -9.580 5.055 518 HD11 LEU 59 1HD1 LEU 59 2.660 -8.685 4.999 519 HD12 LEU 59 2HD1 LEU 59 2.757 -10.223 4.145 520 HD13 LEU 59 3HD1 LEU 59 2.671 -8.713 3.232 521 HD21 LEU 59 3HD2 LEU 59 6.306 -9.865 3.056 522 HD22 LEU 59 1HD2 LEU 59 4.954 -9.390 2.021 523 HD23 LEU 59 2HD2 LEU 59 4.874 -10.884 2.960 524 H LEU 60 H LEU 60 6.875 -5.715 6.153 525 HA LEU 60 HA LEU 60 6.391 -3.288 4.763 526 HB2 LEU 60 2HB LEU 60 5.938 -3.465 7.142 527 HB3 LEU 60 3HB LEU 60 7.615 -3.869 7.472 528 HG LEU 60 HG LEU 60 8.109 -1.459 6.445 529 HD11 LEU 60 1HD1 LEU 60 6.360 0.186 6.904 530 HD12 LEU 60 2HD1 LEU 60 5.230 -1.112 7.289 531 HD13 LEU 60 3HD1 LEU 60 5.886 -0.963 5.658 532 HD21 LEU 60 3HD2 LEU 60 8.015 -0.472 8.657 533 HD22 LEU 60 1HD2 LEU 60 8.654 -2.115 8.705 534 HD23 LEU 60 2HD2 LEU 60 6.994 -1.794 9.233 535 H GLN 61 H GLN 61 9.360 -4.464 6.341 536 HA GLN 61 HA GLN 61 11.032 -2.360 5.436 537 HB2 GLN 61 2HB GLN 61 11.763 -5.084 6.593 538 HB3 GLN 61 3HB GLN 61 12.870 -3.718 6.441 539 HG2 GLN 61 2HG GLN 61 11.568 -2.418 8.045 540 HG3 GLN 61 3HG GLN 61 10.330 -3.675 8.106 541 HE21 GLN 61 1HE2 GLN 61 10.568 -3.915 10.352 542 HE22 GLN 61 2HE2 GLN 61 11.947 -4.682 11.058 543 H LYS 62 H LYS 62 10.071 -5.362 4.088 544 HA LYS 62 HA LYS 62 12.272 -5.666 2.234 545 HB2 LYS 62 2HB LYS 62 11.156 -7.634 3.135 546 HB3 LYS 62 3HB LYS 62 9.613 -7.106 2.474 547 HG2 LYS 62 2HG LYS 62 10.444 -7.432 0.182 548 HG3 LYS 62 3HG LYS 62 12.039 -7.866 0.811 549 HD2 LYS 62 2HD LYS 62 10.784 -9.890 0.209 550 HD3 LYS 62 3HD LYS 62 11.057 -9.837 1.953 551 HE2 LYS 62 2HE LYS 62 8.713 -8.861 2.170 552 HE3 LYS 62 3HE LYS 62 8.493 -9.223 0.455 553 HZ1 LYS 62 3HZ LYS 62 9.135 -11.210 2.581 554 HZ2 LYS 62 1HZ LYS 62 8.934 -11.563 0.940 555 HZ3 LYS 62 2HZ LYS 62 7.626 -11.005 1.851 556 H ILE 63 H ILE 63 8.743 -4.911 1.881 557 HA ILE 63 HA ILE 63 8.831 -4.303 -0.870 558 HB ILE 63 HB ILE 63 6.853 -3.621 1.325 559 HG12 ILE 63 2HG1 ILE 63 5.229 -4.864 -0.075 560 HG13 ILE 63 3HG1 ILE 63 6.405 -4.982 -1.372 561 HG21 ILE 63 1HG2 ILE 63 5.388 -2.400 -0.282 562 HG22 ILE 63 2HG2 ILE 63 6.704 -2.420 -1.458 563 HG23 ILE 63 3HG2 ILE 63 6.891 -1.534 0.057 564 HD11 ILE 63 3HD1 ILE 63 7.769 -6.472 0.041 565 HD12 ILE 63 1HD1 ILE 63 6.145 -7.093 -0.259 566 HD13 ILE 63 2HD1 ILE 63 6.534 -6.363 1.297 567 H LYS 64 H LYS 64 9.537 -2.318 2.008 568 HA LYS 64 HA LYS 64 9.684 0.153 0.553 569 HB2 LYS 64 2HB LYS 64 10.092 1.212 2.586 570 HB3 LYS 64 3HB LYS 64 9.247 -0.221 3.124 571 HG2 LYS 64 2HG LYS 64 10.935 -0.148 4.691 572 HG3 LYS 64 3HG LYS 64 11.721 -1.158 3.475 573 HD2 LYS 64 2HD LYS 64 12.820 0.958 2.570 574 HD3 LYS 64 3HD LYS 64 12.146 1.826 3.947 575 HE2 LYS 64 2HE LYS 64 13.422 0.345 5.472 576 HE3 LYS 64 3HE LYS 64 14.117 -0.476 4.073 577 HZ1 LYS 64 3HZ LYS 64 14.425 2.428 4.635 578 HZ2 LYS 64 1HZ LYS 64 15.202 1.553 3.418 579 HZ3 LYS 64 2HZ LYS 64 15.566 1.256 5.041 580 H GLN 65 H GLN 65 12.125 -2.274 1.599 581 HA GLN 65 HA GLN 65 14.394 -0.713 0.778 582 HB2 GLN 65 2HB GLN 65 15.770 -2.588 1.256 583 HB3 GLN 65 3HB GLN 65 14.457 -2.675 2.420 584 HG2 GLN 65 2HG GLN 65 13.372 -4.431 1.075 585 HG3 GLN 65 3HG GLN 65 14.663 -4.338 -0.112 586 HE21 GLN 65 1HE2 GLN 65 15.070 -4.265 3.404 587 HE22 GLN 65 2HE2 GLN 65 15.900 -5.775 3.496 588 H GLU 66 H GLU 66 12.291 -2.967 -0.884 589 HA GLU 66 HA GLU 66 14.043 -3.268 -3.175 590 HB2 GLU 66 2HB GLU 66 11.257 -4.352 -2.548 591 HB3 GLU 66 3HB GLU 66 12.100 -4.658 -4.069 592 HG2 GLU 66 2HG GLU 66 13.032 -5.486 -1.307 593 HG3 GLU 66 3HG GLU 66 12.338 -6.545 -2.533 594 H ALA 67 H ALA 67 10.930 -1.685 -2.473 595 HA ALA 67 HA ALA 67 10.657 -0.584 -5.127 596 HB1 ALA 67 3HB ALA 67 8.677 -1.193 -3.836 597 HB2 ALA 67 1HB ALA 67 8.663 0.528 -4.215 598 HB3 ALA 67 2HB ALA 67 9.094 -0.012 -2.591 599 H ASN 68 H ASN 68 12.088 0.471 -2.102 600 HA ASN 68 HA ASN 68 13.444 2.213 -1.541 601 HB2 ASN 68 2HB ASN 68 13.473 2.763 -4.543 602 HB3 ASN 68 3HB ASN 68 14.456 3.650 -3.392 603 HD21 ASN 68 1HD2 ASN 68 13.828 0.150 -3.442 604 HD22 ASN 68 2HD2 ASN 68 15.466 -0.299 -3.714 605 H VAL 69 H VAL 69 10.644 2.619 -1.242 606 HA VAL 69 HA VAL 69 10.177 5.433 -2.112 607 HB VAL 69 HB VAL 69 7.740 4.894 -2.196 608 HG11 VAL 69 1HG1 VAL 69 9.429 3.085 -3.958 609 HG12 VAL 69 2HG1 VAL 69 9.138 4.805 -4.233 610 HG13 VAL 69 3HG1 VAL 69 7.797 3.665 -4.299 611 HG21 VAL 69 3HG2 VAL 69 7.656 3.023 -0.615 612 HG22 VAL 69 1HG2 VAL 69 8.637 2.024 -1.691 613 HG23 VAL 69 2HG2 VAL 69 7.008 2.508 -2.173 614 H GLN 70 H GLN 70 8.422 6.529 -0.849 615 HA GLN 70 HA GLN 70 9.154 6.889 1.834 616 HB2 GLN 70 2HB GLN 70 6.565 7.705 0.450 617 HB3 GLN 70 3HB GLN 70 7.182 8.388 1.948 618 HG2 GLN 70 2HG GLN 70 8.563 8.606 -0.742 619 HG3 GLN 70 3HG GLN 70 7.522 9.844 -0.045 620 HE21 GLN 70 1HE2 GLN 70 8.276 10.993 1.798 621 HE22 GLN 70 2HE2 GLN 70 9.958 11.061 2.187 622 H VAL 71 H VAL 71 8.404 6.003 3.711 623 HA VAL 71 HA VAL 71 6.801 3.551 3.447 624 HB VAL 71 HB VAL 71 8.520 4.397 5.829 625 HG11 VAL 71 1HG1 VAL 71 7.487 1.654 5.009 626 HG12 VAL 71 2HG1 VAL 71 6.860 2.635 6.334 627 HG13 VAL 71 3HG1 VAL 71 8.504 1.997 6.414 628 HG21 VAL 71 3HG2 VAL 71 9.357 2.679 3.469 629 HG22 VAL 71 1HG2 VAL 71 10.320 2.977 4.921 630 HG23 VAL 71 2HG2 VAL 71 9.939 4.305 3.824 631 H TYR 72 H TYR 72 4.641 3.971 3.808 632 HA TYR 72 HA TYR 72 3.918 5.250 6.400 633 HB2 TYR 72 2HB TYR 72 2.236 5.067 3.843 634 HB3 TYR 72 3HB TYR 72 1.687 5.739 5.378 635 HD1 TYR 72 HD1 TYR 72 2.468 7.946 6.146 636 HD2 TYR 72 HD2 TYR 72 3.848 6.307 2.446 637 HE1 TYR 72 HE1 TYR 72 3.385 10.137 5.511 638 HE2 TYR 72 HE2 TYR 72 4.760 8.492 1.819 639 HH TYR 72 HH TYR 72 5.188 10.999 4.012 640 H ARG 73 H ARG 73 3.868 3.469 7.700 641 HA ARG 73 HA ARG 73 2.388 1.071 6.875 642 HB2 ARG 73 2HB ARG 73 4.538 0.769 8.090 643 HB3 ARG 73 3HB ARG 73 3.885 1.640 9.471 644 HG2 ARG 73 2HG ARG 73 2.190 -0.125 9.802 645 HG3 ARG 73 3HG ARG 73 2.800 -0.986 8.387 646 HD2 ARG 73 2HD ARG 73 3.611 -1.961 10.522 647 HD3 ARG 73 3HD ARG 73 4.935 -1.386 9.499 648 HE ARG 73 HE ARG 73 4.022 0.556 11.428 649 HH11 ARG 73 1HH1 ARG 73 6.217 -2.167 10.990 650 HH12 ARG 73 2HH1 ARG 73 7.263 -1.664 12.283 651 HH21 ARG 73 1HH2 ARG 73 5.405 1.179 13.108 652 HH22 ARG 73 2HH2 ARG 73 6.804 0.216 13.475 653 H VAL 74 H VAL 74 0.282 1.167 7.117 654 HA VAL 74 HA VAL 74 -0.941 2.662 9.353 655 HB VAL 74 HB VAL 74 -1.947 1.888 6.591 656 HG11 VAL 74 1HG1 VAL 74 -4.194 2.684 7.192 657 HG12 VAL 74 2HG1 VAL 74 -3.700 2.851 8.875 658 HG13 VAL 74 3HG1 VAL 74 -3.759 1.255 8.125 659 HG21 VAL 74 3HG2 VAL 74 -0.737 4.025 6.802 660 HG22 VAL 74 1HG2 VAL 74 -1.846 4.544 8.077 661 HG23 VAL 74 2HG2 VAL 74 -2.438 4.310 6.430 662 H THR 75 H THR 75 -1.865 1.550 10.942 663 HA THR 75 HA THR 75 -2.690 -1.282 10.552 664 HB THR 75 HB THR 75 -2.134 -1.590 13.013 665 HG1 THR 75 HG1 THR 75 -1.544 0.105 14.106 666 HG21 THR 75 3HG2 THR 75 -0.542 -2.388 11.282 667 HG22 THR 75 1HG2 THR 75 0.309 -1.803 12.715 668 HG23 THR 75 2HG2 THR 75 0.233 -0.801 11.263 669 H SER 76 H SER 76 -3.975 1.634 10.698 670 HA SER 76 HA SER 76 -6.498 0.738 11.857 671 HB2 SER 76 2HB SER 76 -5.078 3.245 12.893 672 HB3 SER 76 3HB SER 76 -6.746 2.801 13.259 673 HG SER 76 HG SER 76 -4.471 1.221 13.883 674 H ASN 77 H ASN 77 -8.269 1.752 10.908 675 HA ASN 77 HA ASN 77 -8.022 2.737 8.304 676 HB2 ASN 77 2HB ASN 77 -10.409 3.055 10.173 677 HB3 ASN 77 3HB ASN 77 -10.451 3.218 8.418 678 HD21 ASN 77 1HD2 ASN 77 -11.869 1.362 10.234 679 HD22 ASN 77 2HD2 ASN 77 -11.508 -0.225 9.653 680 H ASP 78 H ASP 78 -8.396 4.462 11.367 681 HA ASP 78 HA ASP 78 -8.864 7.082 10.566 682 HB2 ASP 78 2HB ASP 78 -7.176 6.057 12.899 683 HB3 ASP 78 3HB ASP 78 -7.643 7.746 12.703 684 H GLU 79 H GLU 79 -5.782 5.356 10.889 685 HA GLU 79 HA GLU 79 -4.038 7.508 10.347 686 HB2 GLU 79 2HB GLU 79 -3.463 4.561 9.819 687 HB3 GLU 79 3HB GLU 79 -2.282 5.833 10.110 688 HG2 GLU 79 2HG GLU 79 -4.231 4.646 12.099 689 HG3 GLU 79 3HG GLU 79 -2.478 4.470 12.091 690 H LEU 80 H LEU 80 -5.447 4.984 8.312 691 HA LEU 80 HA LEU 80 -4.165 5.493 5.883 692 HB2 LEU 80 2HB LEU 80 -5.482 3.461 6.365 693 HB3 LEU 80 3HB LEU 80 -6.955 4.388 6.437 694 HG LEU 80 HG LEU 80 -6.523 2.938 4.338 695 HD11 LEU 80 1HD1 LEU 80 -7.601 4.483 2.804 696 HD12 LEU 80 2HD1 LEU 80 -7.269 5.824 3.899 697 HD13 LEU 80 3HD1 LEU 80 -8.346 4.523 4.403 698 HD21 LEU 80 3HD2 LEU 80 -5.185 3.875 2.543 699 HD22 LEU 80 1HD2 LEU 80 -4.176 3.615 3.966 700 HD23 LEU 80 2HD2 LEU 80 -4.719 5.245 3.555 701 H GLU 81 H GLU 81 -7.255 6.748 7.165 702 HA GLU 81 HA GLU 81 -8.082 8.211 4.917 703 HB2 GLU 81 2HB GLU 81 -8.744 8.629 7.862 704 HB3 GLU 81 3HB GLU 81 -9.587 9.432 6.536 705 HG2 GLU 81 2HG GLU 81 -10.309 7.241 5.660 706 HG3 GLU 81 3HG GLU 81 -9.467 6.436 6.984 707 H GLN 82 H GLN 82 -6.236 9.249 7.791 708 HA GLN 82 HA GLN 82 -6.200 12.019 7.077 709 HB2 GLN 82 2HB GLN 82 -4.418 10.540 9.056 710 HB3 GLN 82 3HB GLN 82 -4.583 12.289 8.932 711 HG2 GLN 82 2HG GLN 82 -6.713 10.316 9.785 712 HG3 GLN 82 3HG GLN 82 -5.897 11.492 10.806 713 HE21 GLN 82 1HE2 GLN 82 -8.370 11.007 8.403 714 HE22 GLN 82 2HE2 GLN 82 -9.110 12.560 8.564 715 H VAL 83 H VAL 83 -3.985 9.315 6.518 716 HA VAL 83 HA VAL 83 -1.833 10.779 5.400 717 HB VAL 83 HB VAL 83 -2.684 7.878 4.960 718 HG11 VAL 83 1HG1 VAL 83 -0.465 7.482 3.916 719 HG12 VAL 83 2HG1 VAL 83 -0.133 9.213 3.968 720 HG13 VAL 83 3HG1 VAL 83 -1.440 8.598 2.955 721 HG21 VAL 83 3HG2 VAL 83 -0.746 7.345 6.407 722 HG22 VAL 83 1HG2 VAL 83 -1.878 8.417 7.236 723 HG23 VAL 83 2HG2 VAL 83 -0.384 9.067 6.563 724 H VAL 84 H VAL 84 -4.687 9.211 3.867 725 HA VAL 84 HA VAL 84 -4.061 9.819 1.180 726 HB VAL 84 HB VAL 84 -6.811 9.360 2.442 727 HG11 VAL 84 1HG1 VAL 84 -7.596 8.866 0.120 728 HG12 VAL 84 2HG1 VAL 84 -6.037 9.406 -0.506 729 HG13 VAL 84 3HG1 VAL 84 -7.099 10.550 0.317 730 HG21 VAL 84 3HG2 VAL 84 -5.016 7.438 0.911 731 HG22 VAL 84 1HG2 VAL 84 -6.612 7.063 1.569 732 HG23 VAL 84 2HG2 VAL 84 -5.270 7.430 2.655 733 H LYS 85 H LYS 85 -6.020 11.572 3.572 734 HA LYS 85 HA LYS 85 -6.932 13.680 1.929 735 HB2 LYS 85 2HB LYS 85 -6.546 13.517 4.945 736 HB3 LYS 85 3HB LYS 85 -7.336 14.873 4.143 737 HG2 LYS 85 2HG LYS 85 -9.142 13.463 3.360 738 HG3 LYS 85 3HG LYS 85 -8.304 12.006 3.901 739 HD2 LYS 85 2HD LYS 85 -10.137 12.616 5.433 740 HD3 LYS 85 3HD LYS 85 -8.571 12.677 6.241 741 HE2 LYS 85 2HE LYS 85 -10.028 14.573 6.879 742 HE3 LYS 85 3HE LYS 85 -8.561 15.127 6.074 743 HZ1 LYS 85 3HZ LYS 85 -9.822 15.431 4.043 744 HZ2 LYS 85 1HZ LYS 85 -10.542 16.299 5.301 745 HZ3 LYS 85 2HZ LYS 85 -11.220 14.844 4.780 746 H ASP 86 H ASP 86 -4.007 13.268 3.865 747 HA ASP 86 HA ASP 86 -2.941 15.897 3.510 748 HB2 ASP 86 2HB ASP 86 -2.222 14.456 5.375 749 HB3 ASP 86 3HB ASP 86 -1.578 13.267 4.249 750 H VAL 87 H VAL 87 -2.627 12.841 1.722 751 HA VAL 87 HA VAL 87 -0.621 13.648 -0.147 752 HB VAL 87 HB VAL 87 -2.738 11.441 -0.295 753 HG11 VAL 87 1HG1 VAL 87 -0.366 11.846 -2.161 754 HG12 VAL 87 2HG1 VAL 87 -2.068 12.007 -2.597 755 HG13 VAL 87 3HG1 VAL 87 -1.422 10.431 -2.137 756 HG21 VAL 87 3HG2 VAL 87 -1.087 11.148 1.501 757 HG22 VAL 87 1HG2 VAL 87 0.229 11.310 0.342 758 HG23 VAL 87 2HG2 VAL 87 -0.864 9.929 0.249 759 H LYS 88 H LYS 88 -4.130 13.884 -0.066 760 HA LYS 88 HA LYS 88 -4.267 15.127 -2.716 761 HB2 LYS 88 2HB LYS 88 -6.479 14.404 -0.748 762 HB3 LYS 88 3HB LYS 88 -6.733 15.034 -2.373 763 HG2 LYS 88 2HG LYS 88 -5.499 12.360 -1.636 764 HG3 LYS 88 3HG LYS 88 -7.088 12.626 -2.350 765 HD2 LYS 88 2HD LYS 88 -4.409 13.192 -3.687 766 HD3 LYS 88 3HD LYS 88 -5.479 11.837 -4.042 767 HE2 LYS 88 2HE LYS 88 -7.222 13.440 -4.819 768 HE3 LYS 88 3HE LYS 88 -6.110 14.774 -4.503 769 HZ1 LYS 88 3HZ LYS 88 -4.613 13.893 -6.156 770 HZ2 LYS 88 1HZ LYS 88 -6.134 14.123 -6.838 771 HZ3 LYS 88 2HZ LYS 88 -5.622 12.567 -6.430 772 H GLY 89 H GLY 89 -3.269 16.248 0.105 773 HA2 GLY 89 2HA GLY 89 -4.641 18.815 0.189 774 HA3 GLY 89 3HA GLY 89 -3.254 18.310 1.148 775 H SER 90 H SER 90 -4.050 18.842 -2.286 776 HA SER 90 HA SER 90 -1.318 19.821 -2.810 777 HB2 SER 90 2HB SER 90 -2.027 19.423 -5.243 778 HB3 SER 90 3HB SER 90 -1.932 17.987 -4.226 779 HG SER 90 HG SER 90 -4.335 19.411 -4.728 780 H GLY 91 H GLY 91 -4.392 21.074 -2.208 781 HA2 GLY 91 2HA GLY 91 -5.025 23.272 -1.986 782 HA3 GLY 91 3HA GLY 91 -3.481 23.760 -2.661 783 H LEU 92 H LEU 92 -5.195 21.585 -4.671 784 HA LEU 92 HA LEU 92 -5.433 23.540 -6.757 785 HB2 LEU 92 2HB LEU 92 -6.513 20.686 -6.650 786 HB3 LEU 92 3HB LEU 92 -6.329 21.666 -8.100 787 HG LEU 92 HG LEU 92 -4.042 20.652 -6.361 788 HD11 LEU 92 1HD1 LEU 92 -4.919 19.732 -9.111 789 HD12 LEU 92 2HD1 LEU 92 -5.087 18.834 -7.600 790 HD13 LEU 92 3HD1 LEU 92 -3.483 19.187 -8.236 791 HD21 LEU 92 3HD2 LEU 92 -2.547 21.492 -8.115 792 HD22 LEU 92 1HD2 LEU 92 -3.479 22.798 -7.385 793 HD23 LEU 92 2HD2 LEU 92 -3.927 22.181 -8.977 794 H GLU 93 H GLU 93 -7.084 24.947 -7.006 795 HA GLU 93 HA GLU 93 -9.826 24.297 -6.173 796 HB2 GLU 93 2HB GLU 93 -9.960 26.420 -4.797 797 HB3 GLU 93 3HB GLU 93 -8.955 25.160 -4.097 798 HG2 GLU 93 2HG GLU 93 -7.050 26.405 -4.210 799 HG3 GLU 93 3HG GLU 93 -7.449 27.069 -5.789 800 H HIS 94 H HIS 94 -11.391 25.484 -7.178 801 HA HIS 94 HA HIS 94 -10.916 28.037 -8.450 802 HB2 HIS 94 2HB HIS 94 -10.316 26.234 -10.211 803 HB3 HIS 94 3HB HIS 94 -12.011 25.760 -10.191 804 HD1 HIS 94 HD1 HIS 94 -9.832 28.754 -11.005 805 HD2 HIS 94 HD2 HIS 94 -13.605 27.266 -11.895 806 HE1 HIS 94 HE1 HIS 94 -10.758 30.286 -12.758 807 HE2 HIS 94 HE2 HIS 94 -13.112 29.479 -13.119 808 H HIS 95 H HIS 95 -12.480 26.734 -6.250 809 HA HIS 95 HA HIS 95 -15.143 27.737 -6.683 810 HB2 HIS 95 2HB HIS 95 -15.219 25.604 -7.992 811 HB3 HIS 95 3HB HIS 95 -14.696 24.708 -6.579 812 HD1 HIS 95 HD1 HIS 95 -16.558 23.439 -5.622 813 HD2 HIS 95 HD2 HIS 95 -17.874 27.044 -7.219 814 HE1 HIS 95 HE1 HIS 95 -19.042 23.450 -5.310 815 HE2 HIS 95 HE2 HIS 95 -19.822 25.564 -6.410 816 H HIS 96 H HIS 96 -13.179 28.346 -4.793 817 HA HIS 96 HA HIS 96 -13.692 26.905 -2.339 818 HB2 HIS 96 2HB HIS 96 -12.257 28.621 -1.217 819 HB3 HIS 96 3HB HIS 96 -11.468 27.834 -2.571 820 HD1 HIS 96 HD1 HIS 96 -9.773 29.805 -2.614 821 HD2 HIS 96 HD2 HIS 96 -13.669 30.935 -3.523 822 HE1 HIS 96 HE1 HIS 96 -9.605 32.119 -3.558 823 HE2 HIS 96 HE2 HIS 96 -11.978 32.787 -4.057 824 H HIS 97 H HIS 97 -14.667 27.700 -0.486 825 HA HIS 97 HA HIS 97 -16.653 29.890 -0.803 826 HB2 HIS 97 2HB HIS 97 -17.013 27.211 0.634 827 HB3 HIS 97 3HB HIS 97 -18.186 28.523 0.656 828 HD1 HIS 97 HD1 HIS 97 -19.660 28.834 -1.437 829 HD2 HIS 97 HD2 HIS 97 -16.919 25.736 -1.798 830 HE1 HIS 97 HE1 HIS 97 -20.350 27.554 -3.479 831 HE2 HIS 97 HE2 HIS 97 -18.850 25.543 -3.491 832 H HIS 98 H HIS 98 -14.073 30.234 0.103 833 HA HIS 98 HA HIS 98 -12.806 31.217 1.653 834 HB2 HIS 98 2HB HIS 98 -15.379 31.423 3.252 835 HB3 HIS 98 3HB HIS 98 -13.847 32.047 3.851 836 HD1 HIS 98 HD1 HIS 98 -12.821 34.100 2.568 837 HD2 HIS 98 HD2 HIS 98 -16.663 33.050 1.397 838 HE1 HIS 98 HE1 HIS 98 -13.692 36.066 1.277 839 HE2 HIS 98 HE2 HIS 98 -16.088 35.486 0.794 840 H HIS 99 H HIS 99 -11.338 30.559 3.093 841 HA HIS 99 HA HIS 99 -11.815 28.126 4.704 842 HB2 HIS 99 2HB HIS 99 -9.285 28.789 3.117 843 HB3 HIS 99 3HB HIS 99 -9.468 27.415 4.203 844 HD1 HIS 99 HD1 HIS 99 -9.202 27.781 0.809 845 HD2 HIS 99 HD2 HIS 99 -12.160 26.054 3.151 846 HE1 HIS 99 HE1 HIS 99 -10.466 26.241 -0.721 847 HE2 HIS 99 HE2 HIS 99 -12.124 25.096 0.771 Start of MODEL 16 1 H1 MET 1 1H MET 1 2.349 16.822 -8.199 2 H2 MET 1 2H MET 1 2.151 17.146 -9.847 3 H3 MET 1 3H MET 1 3.490 16.264 -9.312 4 HA MET 1 HA MET 1 0.680 15.384 -9.045 5 HB2 MET 1 2HB MET 1 2.811 14.407 -11.006 6 HB3 MET 1 3HB MET 1 1.197 13.722 -10.825 7 HG2 MET 1 2HG MET 1 1.248 15.114 -12.793 8 HG3 MET 1 3HG MET 1 0.240 15.897 -11.575 9 HE1 MET 1 3HE MET 1 1.948 18.930 -13.484 10 HE2 MET 1 1HE MET 1 0.407 18.237 -12.981 11 HE3 MET 1 2HE MET 1 1.400 17.405 -14.179 12 H GLY 2 H GLY 2 0.460 13.300 -8.100 13 HA2 GLY 2 2HA GLY 2 2.758 11.816 -7.148 14 HA3 GLY 2 3HA GLY 2 1.918 12.702 -5.880 15 H ARG 3 H ARG 3 1.928 9.890 -7.822 16 HA ARG 3 HA ARG 3 -0.767 9.021 -7.269 17 HB2 ARG 3 2HB ARG 3 0.363 8.110 -9.230 18 HB3 ARG 3 3HB ARG 3 1.708 7.535 -8.258 19 HG2 ARG 3 2HG ARG 3 0.246 5.691 -8.987 20 HG3 ARG 3 3HG ARG 3 0.292 5.826 -7.229 21 HD2 ARG 3 2HD ARG 3 -1.976 5.348 -8.008 22 HD3 ARG 3 3HD ARG 3 -1.914 6.950 -7.266 23 HE ARG 3 HE ARG 3 -1.525 7.140 -10.072 24 HH11 ARG 3 1HH1 ARG 3 -4.124 6.563 -7.755 25 HH12 ARG 3 2HH1 ARG 3 -5.355 7.170 -8.811 26 HH21 ARG 3 1HH2 ARG 3 -3.153 7.945 -11.424 27 HH22 ARG 3 2HH2 ARG 3 -4.803 7.953 -10.890 28 H LEU 4 H LEU 4 -1.464 8.250 -5.372 29 HA LEU 4 HA LEU 4 0.423 7.181 -3.373 30 HB2 LEU 4 2HB LEU 4 -1.087 9.077 -2.679 31 HB3 LEU 4 3HB LEU 4 -2.473 8.060 -3.020 32 HG LEU 4 HG LEU 4 -1.803 6.502 -1.208 33 HD11 LEU 4 1HD1 LEU 4 0.000 7.081 0.351 34 HD12 LEU 4 2HD1 LEU 4 0.472 8.429 -0.684 35 HD13 LEU 4 3HD1 LEU 4 0.607 6.770 -1.272 36 HD21 LEU 4 3HD2 LEU 4 -1.918 9.370 -0.224 37 HD22 LEU 4 1HD2 LEU 4 -2.313 7.920 0.704 38 HD23 LEU 4 2HD2 LEU 4 -3.314 8.380 -0.671 39 H VAL 5 H VAL 5 0.552 5.025 -3.316 40 HA VAL 5 HA VAL 5 -1.748 3.367 -4.192 41 HB VAL 5 HB VAL 5 1.237 2.758 -4.389 42 HG11 VAL 5 1HG1 VAL 5 -1.070 0.852 -4.953 43 HG12 VAL 5 2HG1 VAL 5 0.108 0.703 -3.646 44 HG13 VAL 5 3HG1 VAL 5 0.628 0.541 -5.324 45 HG21 VAL 5 3HG2 VAL 5 -0.914 2.979 -6.529 46 HG22 VAL 5 1HG2 VAL 5 0.777 2.557 -6.816 47 HG23 VAL 5 2HG2 VAL 5 0.359 4.158 -6.207 48 H VAL 6 H VAL 6 -2.684 2.269 -2.665 49 HA VAL 6 HA VAL 6 -1.416 1.832 -0.039 50 HB VAL 6 HB VAL 6 -4.323 1.478 -0.914 51 HG11 VAL 6 1HG1 VAL 6 -3.159 1.434 1.886 52 HG12 VAL 6 2HG1 VAL 6 -3.783 0.043 0.996 53 HG13 VAL 6 3HG1 VAL 6 -4.875 1.343 1.480 54 HG21 VAL 6 3HG2 VAL 6 -3.686 3.838 -1.044 55 HG22 VAL 6 1HG2 VAL 6 -3.064 3.787 0.609 56 HG23 VAL 6 2HG2 VAL 6 -4.790 3.585 0.308 57 H VAL 7 H VAL 7 -1.105 -0.294 0.702 58 HA VAL 7 HA VAL 7 -1.716 -2.532 -1.129 59 HB VAL 7 HB VAL 7 0.787 -2.298 0.597 60 HG11 VAL 7 1HG1 VAL 7 0.064 -4.319 -1.548 61 HG12 VAL 7 2HG1 VAL 7 0.121 -4.606 0.193 62 HG13 VAL 7 3HG1 VAL 7 1.605 -4.240 -0.688 63 HG21 VAL 7 3HG2 VAL 7 0.591 -1.811 -2.399 64 HG22 VAL 7 1HG2 VAL 7 2.087 -1.887 -1.460 65 HG23 VAL 7 2HG2 VAL 7 0.923 -0.596 -1.159 66 H VAL 8 H VAL 8 -2.789 -4.129 -0.144 67 HA VAL 8 HA VAL 8 -2.948 -4.290 2.813 68 HB VAL 8 HB VAL 8 -5.349 -4.842 2.640 69 HG11 VAL 8 1HG1 VAL 8 -4.797 -2.494 3.023 70 HG12 VAL 8 2HG1 VAL 8 -6.247 -2.608 2.026 71 HG13 VAL 8 3HG1 VAL 8 -4.697 -2.195 1.286 72 HG21 VAL 8 3HG2 VAL 8 -6.601 -4.606 0.526 73 HG22 VAL 8 1HG2 VAL 8 -5.365 -5.855 0.394 74 HG23 VAL 8 2HG2 VAL 8 -5.101 -4.274 -0.343 75 H THR 9 H THR 9 -3.677 -6.548 3.491 76 HA THR 9 HA THR 9 -2.875 -8.618 1.507 77 HB THR 9 HB THR 9 -2.364 -10.039 3.575 78 HG1 THR 9 HG1 THR 9 -1.812 -8.364 5.391 79 HG21 THR 9 3HG2 THR 9 -0.676 -7.524 3.235 80 HG22 THR 9 1HG2 THR 9 -0.537 -8.994 2.265 81 HG23 THR 9 2HG2 THR 9 -0.152 -9.033 3.985 82 H SER 10 H SER 10 -5.611 -7.319 2.513 83 HA SER 10 HA SER 10 -7.144 -9.806 2.333 84 HB2 SER 10 2HB SER 10 -7.487 -7.836 4.642 85 HB3 SER 10 3HB SER 10 -8.523 -9.230 4.322 86 HG SER 10 HG SER 10 -6.517 -10.502 4.517 87 H GLU 11 H GLU 11 -9.056 -9.552 1.262 88 HA GLU 11 HA GLU 11 -9.483 -7.333 -0.400 89 HB2 GLU 11 2HB GLU 11 -11.443 -9.548 0.346 90 HB3 GLU 11 3HB GLU 11 -11.689 -8.391 -0.961 91 HG2 GLU 11 2HG GLU 11 -9.597 -9.242 -2.038 92 HG3 GLU 11 3HG GLU 11 -9.502 -10.479 -0.786 93 H GLN 12 H GLN 12 -10.909 -8.184 2.705 94 HA GLN 12 HA GLN 12 -13.012 -6.408 2.981 95 HB2 GLN 12 2HB GLN 12 -10.985 -7.290 5.083 96 HB3 GLN 12 3HB GLN 12 -12.496 -6.471 5.462 97 HG2 GLN 12 2HG GLN 12 -13.790 -8.337 4.653 98 HG3 GLN 12 3HG GLN 12 -12.341 -9.143 4.048 99 HE21 GLN 12 1HE2 GLN 12 -10.866 -10.048 5.571 100 HE22 GLN 12 2HE2 GLN 12 -11.355 -10.412 7.187 101 H LEU 13 H LEU 13 -9.574 -5.863 3.613 102 HA LEU 13 HA LEU 13 -9.792 -3.131 4.409 103 HB2 LEU 13 2HB LEU 13 -7.386 -4.735 3.454 104 HB3 LEU 13 3HB LEU 13 -7.295 -3.144 4.189 105 HG LEU 13 HG LEU 13 -8.256 -5.675 5.575 106 HD11 LEU 13 1HD1 LEU 13 -5.850 -5.724 5.148 107 HD12 LEU 13 2HD1 LEU 13 -6.170 -5.532 6.868 108 HD13 LEU 13 3HD1 LEU 13 -5.656 -4.141 5.908 109 HD21 LEU 13 3HD2 LEU 13 -7.884 -2.878 6.704 110 HD22 LEU 13 1HD2 LEU 13 -8.262 -4.324 7.641 111 HD23 LEU 13 2HD2 LEU 13 -9.419 -3.717 6.460 112 H LYS 14 H LYS 14 -9.021 -4.792 1.355 113 HA LYS 14 HA LYS 14 -8.019 -2.634 -0.127 114 HB2 LYS 14 2HB LYS 14 -7.858 -5.031 -0.837 115 HB3 LYS 14 3HB LYS 14 -9.578 -5.025 -1.211 116 HG2 LYS 14 2HG LYS 14 -9.129 -3.195 -2.894 117 HG3 LYS 14 3HG LYS 14 -7.405 -3.405 -2.582 118 HD2 LYS 14 2HD LYS 14 -7.533 -5.735 -3.388 119 HD3 LYS 14 3HD LYS 14 -9.269 -5.555 -3.659 120 HE2 LYS 14 2HE LYS 14 -8.764 -3.731 -5.303 121 HE3 LYS 14 3HE LYS 14 -7.044 -4.068 -5.092 122 HZ1 LYS 14 3HZ LYS 14 -9.102 -5.915 -6.164 123 HZ2 LYS 14 1HZ LYS 14 -7.511 -6.366 -5.827 124 HZ3 LYS 14 2HZ LYS 14 -7.826 -5.209 -7.018 125 H GLU 15 H GLU 15 -11.311 -3.990 -0.224 126 HA GLU 15 HA GLU 15 -12.375 -2.008 -1.945 127 HB2 GLU 15 2HB GLU 15 -14.571 -3.086 -1.505 128 HB3 GLU 15 3HB GLU 15 -13.319 -4.236 -1.932 129 HG2 GLU 15 2HG GLU 15 -14.326 -5.402 -0.236 130 HG3 GLU 15 3HG GLU 15 -13.115 -4.530 0.696 131 H GLU 16 H GLU 16 -11.937 -2.134 1.496 132 HA GLU 16 HA GLU 16 -13.809 -0.097 2.203 133 HB2 GLU 16 2HB GLU 16 -12.962 -1.666 3.888 134 HB3 GLU 16 3HB GLU 16 -11.316 -1.088 3.651 135 HG2 GLU 16 2HG GLU 16 -12.289 -0.192 5.723 136 HG3 GLU 16 3HG GLU 16 -11.925 1.103 4.583 137 H VAL 17 H VAL 17 -10.254 -0.028 1.722 138 HA VAL 17 HA VAL 17 -9.869 2.731 2.015 139 HB VAL 17 HB VAL 17 -8.251 0.818 0.265 140 HG11 VAL 17 1HG1 VAL 17 -7.785 3.151 -0.353 141 HG12 VAL 17 2HG1 VAL 17 -6.398 2.451 0.478 142 HG13 VAL 17 3HG1 VAL 17 -7.467 3.562 1.336 143 HG21 VAL 17 3HG2 VAL 17 -6.717 0.626 2.195 144 HG22 VAL 17 1HG2 VAL 17 -8.340 0.083 2.622 145 HG23 VAL 17 2HG2 VAL 17 -7.772 1.666 3.153 146 H ARG 18 H ARG 18 -10.732 0.838 -0.888 147 HA ARG 18 HA ARG 18 -10.773 3.118 -2.651 148 HB2 ARG 18 2HB ARG 18 -11.818 0.291 -3.068 149 HB3 ARG 18 3HB ARG 18 -11.742 1.529 -4.321 150 HG2 ARG 18 2HG ARG 18 -9.233 1.641 -3.899 151 HG3 ARG 18 3HG ARG 18 -9.425 0.206 -2.890 152 HD2 ARG 18 2HD ARG 18 -8.682 -0.406 -5.149 153 HD3 ARG 18 3HD ARG 18 -10.298 -1.040 -4.831 154 HE ARG 18 HE ARG 18 -11.155 0.319 -6.461 155 HH11 ARG 18 1HH1 ARG 18 -7.861 1.406 -5.838 156 HH12 ARG 18 2HH1 ARG 18 -7.832 2.476 -7.198 157 HH21 ARG 18 1HH2 ARG 18 -11.094 1.745 -8.209 158 HH22 ARG 18 2HH2 ARG 18 -9.663 2.662 -8.534 159 H LYS 19 H LYS 19 -13.119 1.590 -0.564 160 HA LYS 19 HA LYS 19 -15.525 2.680 -1.618 161 HB2 LYS 19 2HB LYS 19 -15.599 0.886 0.047 162 HB3 LYS 19 3HB LYS 19 -14.764 1.881 1.222 163 HG2 LYS 19 2HG LYS 19 -16.985 1.830 1.967 164 HG3 LYS 19 3HG LYS 19 -16.837 3.402 1.199 165 HD2 LYS 19 2HD LYS 19 -18.029 0.993 -0.223 166 HD3 LYS 19 3HD LYS 19 -18.996 2.063 0.785 167 HE2 LYS 19 2HE LYS 19 -17.495 2.864 -1.729 168 HE3 LYS 19 3HE LYS 19 -19.234 2.640 -1.581 169 HZ1 LYS 19 3HZ LYS 19 -18.633 4.971 -1.496 170 HZ2 LYS 19 1HZ LYS 19 -17.639 4.705 -0.153 171 HZ3 LYS 19 2HZ LYS 19 -19.311 4.489 -0.028 172 H LYS 20 H LYS 20 -13.301 3.806 0.909 173 HA LYS 20 HA LYS 20 -14.492 6.367 1.270 174 HB2 LYS 20 2HB LYS 20 -11.704 5.334 1.941 175 HB3 LYS 20 3HB LYS 20 -12.295 6.926 2.405 176 HG2 LYS 20 2HG LYS 20 -14.114 5.805 3.736 177 HG3 LYS 20 3HG LYS 20 -13.370 4.246 3.353 178 HD2 LYS 20 2HD LYS 20 -11.326 4.869 4.514 179 HD3 LYS 20 3HD LYS 20 -11.911 6.516 4.763 180 HE2 LYS 20 2HE LYS 20 -12.104 5.276 6.835 181 HE3 LYS 20 3HE LYS 20 -13.727 5.600 6.220 182 HZ1 LYS 20 3HZ LYS 20 -13.527 3.325 7.017 183 HZ2 LYS 20 1HZ LYS 20 -12.248 3.028 5.950 184 HZ3 LYS 20 2HZ LYS 20 -13.797 3.332 5.350 185 H PHE 21 H PHE 21 -11.822 5.141 -0.787 186 HA PHE 21 HA PHE 21 -11.545 7.770 -2.115 187 HB2 PHE 21 2HB PHE 21 -9.102 6.194 -1.205 188 HB3 PHE 21 3HB PHE 21 -9.144 7.821 -1.873 189 HD1 PHE 21 HD1 PHE 21 -10.681 9.521 -0.425 190 HD2 PHE 21 HD2 PHE 21 -8.755 6.019 1.091 191 HE1 PHE 21 HE1 PHE 21 -10.772 10.440 1.855 192 HE2 PHE 21 HE2 PHE 21 -8.858 6.964 3.353 193 HZ PHE 21 HZ PHE 21 -9.850 9.141 3.740 194 HA PRO 22 HA PRO 22 -11.300 4.555 -5.467 195 HB2 PRO 22 2HB PRO 22 -12.773 5.931 -7.312 196 HB3 PRO 22 3HB PRO 22 -13.533 4.960 -6.034 197 HG2 PRO 22 2HG PRO 22 -13.093 7.930 -6.117 198 HG3 PRO 22 3HG PRO 22 -14.549 7.024 -5.644 199 HD2 PRO 22 2HD PRO 22 -12.797 8.038 -3.811 200 HD3 PRO 22 3HD PRO 22 -13.730 6.551 -3.520 201 H GLN 23 H GLN 23 -10.154 7.711 -4.910 202 HA GLN 23 HA GLN 23 -8.903 8.169 -7.493 203 HB2 GLN 23 2HB GLN 23 -7.940 10.198 -6.540 204 HB3 GLN 23 3HB GLN 23 -9.652 10.129 -6.173 205 HG2 GLN 23 2HG GLN 23 -7.738 9.121 -4.092 206 HG3 GLN 23 3HG GLN 23 -7.826 10.858 -4.359 207 HE21 GLN 23 1HE2 GLN 23 -8.616 11.134 -2.244 208 HE22 GLN 23 2HE2 GLN 23 -10.241 10.740 -1.815 209 H VAL 24 H VAL 24 -8.025 6.578 -4.530 210 HA VAL 24 HA VAL 24 -5.176 6.461 -5.310 211 HB VAL 24 HB VAL 24 -4.695 5.503 -3.112 212 HG11 VAL 24 1HG1 VAL 24 -4.679 7.937 -3.292 213 HG12 VAL 24 2HG1 VAL 24 -5.218 7.458 -1.684 214 HG13 VAL 24 3HG1 VAL 24 -6.393 8.015 -2.879 215 HG21 VAL 24 3HG2 VAL 24 -6.720 4.198 -2.704 216 HG22 VAL 24 1HG2 VAL 24 -7.676 5.671 -2.528 217 HG23 VAL 24 2HG2 VAL 24 -6.426 5.280 -1.343 218 H GLU 25 H GLU 25 -4.135 4.481 -5.693 219 HA GLU 25 HA GLU 25 -5.896 2.293 -6.582 220 HB2 GLU 25 2HB GLU 25 -3.000 2.961 -7.256 221 HB3 GLU 25 3HB GLU 25 -3.817 1.509 -7.823 222 HG2 GLU 25 2HG GLU 25 -4.600 4.367 -8.468 223 HG3 GLU 25 3HG GLU 25 -3.801 3.235 -9.554 224 H VAL 26 H VAL 26 -5.940 0.368 -5.544 225 HA VAL 26 HA VAL 26 -4.052 -0.044 -3.296 226 HB VAL 26 HB VAL 26 -6.970 -0.947 -3.348 227 HG11 VAL 26 1HG1 VAL 26 -6.620 -1.392 -0.930 228 HG12 VAL 26 2HG1 VAL 26 -4.923 -0.938 -1.095 229 HG13 VAL 26 3HG1 VAL 26 -5.541 -2.360 -1.939 230 HG21 VAL 26 3HG2 VAL 26 -7.423 0.872 -1.727 231 HG22 VAL 26 1HG2 VAL 26 -6.890 1.504 -3.288 232 HG23 VAL 26 2HG2 VAL 26 -5.771 1.458 -1.925 233 H ARG 27 H ARG 27 -2.746 -1.706 -3.697 234 HA ARG 27 HA ARG 27 -3.558 -3.953 -5.404 235 HB2 ARG 27 2HB ARG 27 -0.898 -2.940 -4.353 236 HB3 ARG 27 3HB ARG 27 -1.033 -4.599 -4.914 237 HG2 ARG 27 2HG ARG 27 -1.654 -2.149 -6.598 238 HG3 ARG 27 3HG ARG 27 -0.152 -3.073 -6.656 239 HD2 ARG 27 2HD ARG 27 -1.386 -5.070 -7.396 240 HD3 ARG 27 3HD ARG 27 -2.910 -4.187 -7.283 241 HE ARG 27 HE ARG 27 -0.850 -3.181 -9.111 242 HH11 ARG 27 1HH1 ARG 27 -3.936 -4.878 -8.764 243 HH12 ARG 27 2HH1 ARG 27 -4.352 -4.680 -10.434 244 HH21 ARG 27 1HH2 ARG 27 -1.416 -2.988 -11.295 245 HH22 ARG 27 2HH2 ARG 27 -2.921 -3.611 -11.862 246 H LEU 28 H LEU 28 -3.899 -5.959 -4.660 247 HA LEU 28 HA LEU 28 -3.999 -6.448 -1.754 248 HB2 LEU 28 2HB LEU 28 -6.110 -6.763 -2.914 249 HB3 LEU 28 3HB LEU 28 -5.349 -7.751 -4.149 250 HG LEU 28 HG LEU 28 -4.910 -9.515 -2.395 251 HD11 LEU 28 1HD1 LEU 28 -4.938 -8.129 -0.405 252 HD12 LEU 28 2HD1 LEU 28 -6.113 -9.435 -0.275 253 HD13 LEU 28 3HD1 LEU 28 -6.656 -7.793 -0.632 254 HD21 LEU 28 3HD2 LEU 28 -7.205 -10.374 -2.324 255 HD22 LEU 28 1HD2 LEU 28 -6.812 -9.723 -3.915 256 HD23 LEU 28 2HD2 LEU 28 -7.823 -8.793 -2.809 257 H VAL 29 H VAL 29 -2.255 -7.514 -0.980 258 HA VAL 29 HA VAL 29 -0.755 -9.463 -2.542 259 HB VAL 29 HB VAL 29 -0.396 -8.414 0.304 260 HG11 VAL 29 1HG1 VAL 29 0.444 -10.715 0.213 261 HG12 VAL 29 2HG1 VAL 29 1.790 -9.581 0.325 262 HG13 VAL 29 3HG1 VAL 29 1.401 -10.336 -1.222 263 HG21 VAL 29 3HG2 VAL 29 1.584 -7.257 -0.628 264 HG22 VAL 29 1HG2 VAL 29 0.091 -6.752 -1.428 265 HG23 VAL 29 2HG2 VAL 29 1.187 -7.879 -2.232 266 H THR 30 H THR 30 -1.891 -11.277 -2.785 267 HA THR 30 HA THR 30 -3.336 -12.614 -0.636 268 HB THR 30 HB THR 30 -3.819 -14.337 -2.390 269 HG1 THR 30 HG1 THR 30 -2.399 -12.659 -4.213 270 HG21 THR 30 3HG2 THR 30 -4.279 -11.510 -3.424 271 HG22 THR 30 1HG2 THR 30 -5.316 -12.364 -2.281 272 HG23 THR 30 2HG2 THR 30 -5.151 -12.958 -3.931 273 H THR 31 H THR 31 -0.440 -12.982 -2.595 274 HA THR 31 HA THR 31 0.596 -15.175 -0.904 275 HB THR 31 HB THR 31 1.634 -16.064 -3.081 276 HG1 THR 31 HG1 THR 31 -0.363 -14.407 -4.277 277 HG21 THR 31 3HG2 THR 31 -1.402 -16.087 -2.906 278 HG22 THR 31 1HG2 THR 31 -0.305 -17.215 -2.095 279 HG23 THR 31 2HG2 THR 31 -0.425 -17.207 -3.853 280 H GLU 32 H GLU 32 3.066 -15.483 -1.514 281 HA GLU 32 HA GLU 32 4.353 -13.196 -0.437 282 HB2 GLU 32 2HB GLU 32 5.010 -15.509 0.089 283 HB3 GLU 32 3HB GLU 32 5.498 -15.771 -1.582 284 HG2 GLU 32 2HG GLU 32 7.245 -13.982 -1.278 285 HG3 GLU 32 3HG GLU 32 6.801 -13.908 0.425 286 H GLU 33 H GLU 33 4.741 -14.824 -3.618 287 HA GLU 33 HA GLU 33 6.523 -12.988 -4.799 288 HB2 GLU 33 2HB GLU 33 6.194 -15.227 -5.735 289 HB3 GLU 33 3HB GLU 33 4.511 -14.873 -6.115 290 HG2 GLU 33 2HG GLU 33 5.324 -13.084 -7.700 291 HG3 GLU 33 3HG GLU 33 6.972 -13.614 -7.381 292 H ASP 34 H ASP 34 3.038 -12.989 -4.481 293 HA ASP 34 HA ASP 34 2.307 -11.059 -6.379 294 HB2 ASP 34 2HB ASP 34 0.773 -12.603 -5.070 295 HB3 ASP 34 3HB ASP 34 0.965 -11.548 -3.681 296 H ALA 35 H ALA 35 3.396 -10.723 -3.004 297 HA ALA 35 HA ALA 35 3.187 -7.922 -2.729 298 HB1 ALA 35 3HB ALA 35 4.816 -8.141 -0.893 299 HB2 ALA 35 1HB ALA 35 5.204 -9.784 -1.427 300 HB3 ALA 35 2HB ALA 35 3.596 -9.410 -0.810 301 H LYS 36 H LYS 36 5.779 -9.962 -4.007 302 HA LYS 36 HA LYS 36 7.709 -7.931 -4.472 303 HB2 LYS 36 2HB LYS 36 7.419 -10.568 -5.979 304 HB3 LYS 36 3HB LYS 36 8.885 -9.604 -5.816 305 HG2 LYS 36 2HG LYS 36 8.945 -10.090 -3.394 306 HG3 LYS 36 3HG LYS 36 7.447 -11.008 -3.539 307 HD2 LYS 36 2HD LYS 36 9.080 -12.693 -3.526 308 HD3 LYS 36 3HD LYS 36 8.761 -12.485 -5.246 309 HE2 LYS 36 2HE LYS 36 11.105 -11.299 -3.719 310 HE3 LYS 36 3HE LYS 36 11.167 -12.712 -4.765 311 HZ1 LYS 36 3HZ LYS 36 10.589 -11.317 -6.646 312 HZ2 LYS 36 1HZ LYS 36 11.979 -10.736 -5.879 313 HZ3 LYS 36 2HZ LYS 36 10.502 -9.956 -5.644 314 H GLN 37 H GLN 37 5.045 -9.225 -6.383 315 HA GLN 37 HA GLN 37 5.601 -7.821 -8.815 316 HB2 GLN 37 2HB GLN 37 3.008 -9.064 -7.794 317 HB3 GLN 37 3HB GLN 37 3.280 -8.515 -9.446 318 HG2 GLN 37 2HG GLN 37 4.934 -10.218 -9.835 319 HG3 GLN 37 3HG GLN 37 4.962 -10.671 -8.133 320 HE21 GLN 37 1HE2 GLN 37 4.490 -12.415 -10.368 321 HE22 GLN 37 2HE2 GLN 37 2.915 -13.088 -10.155 322 H VAL 38 H VAL 38 3.776 -7.051 -5.876 323 HA VAL 38 HA VAL 38 2.646 -4.596 -6.755 324 HB VAL 38 HB VAL 38 3.412 -5.468 -3.926 325 HG11 VAL 38 1HG1 VAL 38 1.665 -3.124 -4.776 326 HG12 VAL 38 2HG1 VAL 38 3.247 -3.018 -4.000 327 HG13 VAL 38 3HG1 VAL 38 1.878 -3.696 -3.120 328 HG21 VAL 38 3HG2 VAL 38 1.724 -6.920 -4.972 329 HG22 VAL 38 1HG2 VAL 38 0.722 -5.519 -5.345 330 HG23 VAL 38 2HG2 VAL 38 1.007 -5.982 -3.665 331 H ILE 39 H ILE 39 5.814 -5.405 -5.298 332 HA ILE 39 HA ILE 39 6.929 -2.817 -5.116 333 HB ILE 39 HB ILE 39 8.349 -5.433 -5.803 334 HG12 ILE 39 2HG1 ILE 39 8.046 -4.069 -3.089 335 HG13 ILE 39 3HG1 ILE 39 7.070 -5.425 -3.634 336 HG21 ILE 39 1HG2 ILE 39 9.575 -2.838 -4.793 337 HG22 ILE 39 2HG2 ILE 39 9.760 -3.511 -6.414 338 HG23 ILE 39 3HG2 ILE 39 10.432 -4.364 -5.025 339 HD11 ILE 39 3HD1 ILE 39 8.799 -6.149 -2.123 340 HD12 ILE 39 1HD1 ILE 39 10.045 -5.471 -3.169 341 HD13 ILE 39 2HD1 ILE 39 9.066 -6.827 -3.728 342 H LYS 40 H LYS 40 6.811 -5.101 -7.855 343 HA LYS 40 HA LYS 40 8.226 -3.596 -9.780 344 HB2 LYS 40 2HB LYS 40 5.938 -5.557 -10.271 345 HB3 LYS 40 3HB LYS 40 7.129 -5.051 -11.462 346 HG2 LYS 40 2HG LYS 40 7.664 -6.683 -8.970 347 HG3 LYS 40 3HG LYS 40 7.616 -7.294 -10.620 348 HD2 LYS 40 2HD LYS 40 9.621 -5.256 -9.585 349 HD3 LYS 40 3HD LYS 40 9.925 -6.984 -9.726 350 HE2 LYS 40 2HE LYS 40 9.599 -6.854 -12.165 351 HE3 LYS 40 3HE LYS 40 9.285 -5.120 -12.032 352 HZ1 LYS 40 3HZ LYS 40 11.541 -4.888 -11.072 353 HZ2 LYS 40 1HZ LYS 40 11.552 -5.456 -12.667 354 HZ3 LYS 40 2HZ LYS 40 11.821 -6.526 -11.388 355 H GLU 41 H GLU 41 4.858 -3.594 -8.771 356 HA GLU 41 HA GLU 41 3.736 -1.948 -10.779 357 HB2 GLU 41 2HB GLU 41 2.524 -3.466 -9.083 358 HB3 GLU 41 3HB GLU 41 2.772 -2.194 -7.895 359 HG2 GLU 41 2HG GLU 41 0.538 -1.989 -8.740 360 HG3 GLU 41 3HG GLU 41 1.473 -0.642 -9.382 361 H ILE 42 H ILE 42 5.083 -1.270 -7.571 362 HA ILE 42 HA ILE 42 4.640 1.486 -7.350 363 HB ILE 42 HB ILE 42 6.942 -0.175 -6.204 364 HG12 ILE 42 2HG1 ILE 42 4.390 0.713 -4.785 365 HG13 ILE 42 3HG1 ILE 42 4.579 -0.863 -5.536 366 HG21 ILE 42 1HG2 ILE 42 6.029 2.597 -5.344 367 HG22 ILE 42 2HG2 ILE 42 7.545 2.210 -6.157 368 HG23 ILE 42 3HG2 ILE 42 7.247 1.618 -4.523 369 HD11 ILE 42 3HD1 ILE 42 6.421 -1.370 -3.996 370 HD12 ILE 42 1HD1 ILE 42 4.918 -1.005 -3.151 371 HD13 ILE 42 2HD1 ILE 42 6.200 0.203 -3.224 372 H GLN 43 H GLN 43 7.402 -0.310 -8.670 373 HA GLN 43 HA GLN 43 9.047 1.908 -9.296 374 HB2 GLN 43 2HB GLN 43 9.060 -0.939 -10.392 375 HB3 GLN 43 3HB GLN 43 10.352 0.234 -10.645 376 HG2 GLN 43 2HG GLN 43 10.848 0.295 -8.270 377 HG3 GLN 43 3HG GLN 43 9.461 -0.730 -7.908 378 HE21 GLN 43 1HE2 GLN 43 12.295 -1.149 -7.283 379 HE22 GLN 43 2HE2 GLN 43 12.711 -2.674 -7.985 380 H LYS 44 H LYS 44 6.685 0.063 -11.215 381 HA LYS 44 HA LYS 44 7.185 1.315 -13.726 382 HB2 LYS 44 2HB LYS 44 4.890 -0.362 -12.658 383 HB3 LYS 44 3HB LYS 44 4.804 0.347 -14.265 384 HG2 LYS 44 2HG LYS 44 6.931 -1.602 -13.312 385 HG3 LYS 44 3HG LYS 44 5.552 -1.994 -14.345 386 HD2 LYS 44 2HD LYS 44 6.428 -0.391 -16.057 387 HD3 LYS 44 3HD LYS 44 7.838 -0.108 -15.037 388 HE2 LYS 44 2HE LYS 44 7.059 -2.759 -16.295 389 HE3 LYS 44 3HE LYS 44 8.344 -1.684 -16.844 390 HZ1 LYS 44 3HZ LYS 44 9.472 -2.017 -14.742 391 HZ2 LYS 44 1HZ LYS 44 9.212 -3.490 -15.526 392 HZ3 LYS 44 2HZ LYS 44 8.242 -3.047 -14.216 393 H LYS 45 H LYS 45 4.772 1.971 -11.180 394 HA LYS 45 HA LYS 45 3.535 4.175 -12.587 395 HB2 LYS 45 2HB LYS 45 3.118 2.784 -9.988 396 HB3 LYS 45 3HB LYS 45 2.765 4.497 -9.930 397 HG2 LYS 45 2HG LYS 45 0.708 3.460 -10.332 398 HG3 LYS 45 3HG LYS 45 1.178 4.120 -11.891 399 HD2 LYS 45 2HD LYS 45 1.675 1.213 -11.159 400 HD3 LYS 45 3HD LYS 45 0.137 1.751 -11.823 401 HE2 LYS 45 2HE LYS 45 1.304 2.561 -13.836 402 HE3 LYS 45 3HE LYS 45 2.836 1.989 -13.183 403 HZ1 LYS 45 3HZ LYS 45 1.884 -0.268 -13.179 404 HZ2 LYS 45 1HZ LYS 45 1.958 0.394 -14.732 405 HZ3 LYS 45 2HZ LYS 45 0.486 0.328 -13.911 406 H GLY 46 H GLY 46 6.341 3.796 -10.632 407 HA2 GLY 46 2HA GLY 46 7.907 5.262 -9.789 408 HA3 GLY 46 3HA GLY 46 7.187 6.509 -10.806 409 H VAL 47 H VAL 47 6.004 4.558 -8.078 410 HA VAL 47 HA VAL 47 4.259 6.620 -7.151 411 HB VAL 47 HB VAL 47 5.041 4.039 -5.723 412 HG11 VAL 47 1HG1 VAL 47 2.891 4.267 -4.535 413 HG12 VAL 47 2HG1 VAL 47 2.596 5.802 -5.352 414 HG13 VAL 47 3HG1 VAL 47 3.945 5.649 -4.224 415 HG21 VAL 47 3HG2 VAL 47 3.021 3.043 -6.716 416 HG22 VAL 47 1HG2 VAL 47 4.169 3.546 -7.960 417 HG23 VAL 47 2HG2 VAL 47 2.735 4.524 -7.633 418 H GLN 48 H GLN 48 4.517 8.020 -5.502 419 HA GLN 48 HA GLN 48 7.191 8.571 -4.548 420 HB2 GLN 48 2HB GLN 48 4.517 9.999 -4.124 421 HB3 GLN 48 3HB GLN 48 6.057 10.587 -3.513 422 HG2 GLN 48 2HG GLN 48 5.524 11.831 -5.498 423 HG3 GLN 48 3HG GLN 48 6.879 10.768 -5.869 424 HE21 GLN 48 1HE2 GLN 48 6.473 10.858 -8.082 425 HE22 GLN 48 2HE2 GLN 48 5.136 10.053 -8.817 426 H LYS 49 H LYS 49 3.989 7.904 -3.130 427 HA LYS 49 HA LYS 49 5.260 6.901 -0.650 428 HB2 LYS 49 2HB LYS 49 2.678 8.511 -0.874 429 HB3 LYS 49 3HB LYS 49 3.367 7.868 0.616 430 HG2 LYS 49 2HG LYS 49 5.365 9.304 0.273 431 HG3 LYS 49 3HG LYS 49 4.593 10.001 -1.154 432 HD2 LYS 49 2HD LYS 49 2.817 10.954 0.199 433 HD3 LYS 49 3HD LYS 49 3.391 10.102 1.638 434 HE2 LYS 49 2HE LYS 49 5.554 11.400 1.391 435 HE3 LYS 49 3HE LYS 49 4.743 12.381 0.170 436 HZ1 LYS 49 3HZ LYS 49 3.112 13.013 1.819 437 HZ2 LYS 49 1HZ LYS 49 4.663 13.401 2.362 438 HZ3 LYS 49 2HZ LYS 49 3.860 12.052 2.985 439 H VAL 50 H VAL 50 4.605 4.944 0.005 440 HA VAL 50 HA VAL 50 2.094 3.787 -1.061 441 HB VAL 50 HB VAL 50 3.031 1.547 -0.712 442 HG11 VAL 50 1HG1 VAL 50 4.726 1.556 -2.522 443 HG12 VAL 50 2HG1 VAL 50 4.850 3.311 -2.389 444 HG13 VAL 50 3HG1 VAL 50 3.333 2.569 -2.903 445 HG21 VAL 50 3HG2 VAL 50 4.527 1.963 1.187 446 HG22 VAL 50 1HG2 VAL 50 5.602 2.926 0.169 447 HG23 VAL 50 2HG2 VAL 50 5.423 1.193 -0.122 448 H VAL 51 H VAL 51 0.717 2.754 0.381 449 HA VAL 51 HA VAL 51 1.148 3.303 3.270 450 HB VAL 51 HB VAL 51 -1.515 3.198 1.768 451 HG11 VAL 51 1HG1 VAL 51 -0.914 4.003 4.629 452 HG12 VAL 51 2HG1 VAL 51 -1.725 2.524 4.106 453 HG13 VAL 51 3HG1 VAL 51 -2.492 4.091 3.843 454 HG21 VAL 51 3HG2 VAL 51 -1.652 5.637 2.055 455 HG22 VAL 51 1HG2 VAL 51 -0.246 5.188 1.085 456 HG23 VAL 51 2HG2 VAL 51 -0.039 5.656 2.774 457 H LEU 52 H LEU 52 1.832 1.349 3.973 458 HA LEU 52 HA LEU 52 0.719 -1.145 2.947 459 HB2 LEU 52 2HB LEU 52 2.951 -0.600 4.952 460 HB3 LEU 52 3HB LEU 52 2.520 -2.183 4.335 461 HG LEU 52 HG LEU 52 3.657 0.108 2.676 462 HD11 LEU 52 1HD1 LEU 52 5.673 -1.250 2.453 463 HD12 LEU 52 2HD1 LEU 52 4.979 -2.499 3.491 464 HD13 LEU 52 3HD1 LEU 52 5.342 -0.904 4.149 465 HD21 LEU 52 3HD2 LEU 52 3.823 -1.503 0.837 466 HD22 LEU 52 1HD2 LEU 52 2.153 -1.226 1.323 467 HD23 LEU 52 2HD2 LEU 52 2.975 -2.710 1.809 468 H VAL 53 H VAL 53 -1.329 -1.267 3.725 469 HA VAL 53 HA VAL 53 -1.968 -0.938 6.554 470 HB VAL 53 HB VAL 53 -3.852 -1.556 4.233 471 HG11 VAL 53 1HG1 VAL 53 -5.674 -0.860 5.762 472 HG12 VAL 53 2HG1 VAL 53 -4.502 -0.656 7.066 473 HG13 VAL 53 3HG1 VAL 53 -4.796 -2.259 6.389 474 HG21 VAL 53 3HG2 VAL 53 -4.512 0.821 4.286 475 HG22 VAL 53 1HG2 VAL 53 -2.801 0.635 3.891 476 HG23 VAL 53 2HG2 VAL 53 -3.283 1.140 5.509 477 H GLY 54 H GLY 54 -1.883 -2.616 7.865 478 HA2 GLY 54 2HA GLY 54 -2.110 -4.682 8.799 479 HA3 GLY 54 3HA GLY 54 -3.350 -4.962 7.594 480 H VAL 55 H VAL 55 -0.022 -4.387 6.647 481 HA VAL 55 HA VAL 55 0.148 -7.054 5.445 482 HB VAL 55 HB VAL 55 2.155 -6.274 4.295 483 HG11 VAL 55 1HG1 VAL 55 1.232 -4.412 2.955 484 HG12 VAL 55 2HG1 VAL 55 -0.014 -4.146 4.176 485 HG13 VAL 55 3HG1 VAL 55 0.022 -5.659 3.269 486 HG21 VAL 55 3HG2 VAL 55 3.215 -4.971 6.074 487 HG22 VAL 55 1HG2 VAL 55 1.970 -3.727 5.949 488 HG23 VAL 55 2HG2 VAL 55 3.088 -3.995 4.609 489 H SER 56 H SER 56 2.063 -8.425 5.789 490 HA SER 56 HA SER 56 2.863 -8.717 8.495 491 HB2 SER 56 2HB SER 56 4.413 -10.475 7.574 492 HB3 SER 56 3HB SER 56 2.760 -10.656 6.985 493 HG SER 56 HG SER 56 3.748 -10.687 5.120 494 H GLU 57 H GLU 57 4.859 -8.270 9.464 495 HA GLU 57 HA GLU 57 5.924 -5.734 8.806 496 HB2 GLU 57 2HB GLU 57 5.637 -6.604 11.118 497 HB3 GLU 57 3HB GLU 57 6.909 -7.785 10.832 498 HG2 GLU 57 2HG GLU 57 7.655 -5.819 12.157 499 HG3 GLU 57 3HG GLU 57 8.575 -6.057 10.672 500 H LYS 58 H LYS 58 7.055 -9.000 8.211 501 HA LYS 58 HA LYS 58 9.728 -8.349 7.468 502 HB2 LYS 58 2HB LYS 58 9.869 -10.631 6.582 503 HB3 LYS 58 3HB LYS 58 9.130 -10.619 8.175 504 HG2 LYS 58 2HG LYS 58 6.895 -10.897 7.143 505 HG3 LYS 58 3HG LYS 58 7.635 -10.914 5.542 506 HD2 LYS 58 2HD LYS 58 8.047 -12.968 7.752 507 HD3 LYS 58 3HD LYS 58 7.147 -13.199 6.253 508 HE2 LYS 58 2HE LYS 58 10.138 -12.706 6.460 509 HE3 LYS 58 3HE LYS 58 9.362 -14.253 6.124 510 HZ1 LYS 58 3HZ LYS 58 10.176 -13.152 4.118 511 HZ2 LYS 58 1HZ LYS 58 9.138 -11.847 4.399 512 HZ3 LYS 58 2HZ LYS 58 8.502 -13.380 4.076 513 H LEU 59 H LEU 59 6.706 -8.723 5.586 514 HA LEU 59 HA LEU 59 7.923 -8.250 3.022 515 HB2 LEU 59 2HB LEU 59 5.031 -8.230 3.954 516 HB3 LEU 59 3HB LEU 59 5.461 -7.760 2.319 517 HG LEU 59 HG LEU 59 5.975 -10.506 3.542 518 HD11 LEU 59 1HD1 LEU 59 3.577 -10.090 3.143 519 HD12 LEU 59 2HD1 LEU 59 4.207 -11.320 2.051 520 HD13 LEU 59 3HD1 LEU 59 3.918 -9.681 1.459 521 HD21 LEU 59 3HD2 LEU 59 6.431 -9.540 0.693 522 HD22 LEU 59 1HD2 LEU 59 6.640 -11.193 1.278 523 HD23 LEU 59 2HD2 LEU 59 7.685 -9.911 1.878 524 H LEU 60 H LEU 60 6.464 -6.240 5.513 525 HA LEU 60 HA LEU 60 6.196 -3.810 4.160 526 HB2 LEU 60 2HB LEU 60 5.285 -4.300 6.396 527 HB3 LEU 60 3HB LEU 60 6.896 -4.311 7.080 528 HG LEU 60 HG LEU 60 5.985 -1.769 5.725 529 HD11 LEU 60 1HD1 LEU 60 5.020 -2.571 8.479 530 HD12 LEU 60 2HD1 LEU 60 4.026 -2.401 7.029 531 HD13 LEU 60 3HD1 LEU 60 4.821 -0.989 7.716 532 HD21 LEU 60 3HD2 LEU 60 7.282 -0.678 7.518 533 HD22 LEU 60 1HD2 LEU 60 8.267 -1.860 6.654 534 HD23 LEU 60 2HD2 LEU 60 7.620 -2.251 8.248 535 H GLN 61 H GLN 61 8.938 -5.056 6.033 536 HA GLN 61 HA GLN 61 10.736 -2.924 5.519 537 HB2 GLN 61 2HB GLN 61 11.251 -5.800 6.369 538 HB3 GLN 61 3HB GLN 61 12.476 -4.530 6.381 539 HG2 GLN 61 2HG GLN 61 11.217 -3.274 8.047 540 HG3 GLN 61 3HG GLN 61 9.889 -4.429 7.959 541 HE21 GLN 61 1HE2 GLN 61 9.976 -4.900 10.125 542 HE22 GLN 61 2HE2 GLN 61 11.246 -5.812 10.848 543 H LYS 62 H LYS 62 9.994 -5.925 3.794 544 HA LYS 62 HA LYS 62 12.194 -5.908 2.019 545 HB2 LYS 62 2HB LYS 62 10.674 -7.879 2.327 546 HB3 LYS 62 3HB LYS 62 9.408 -7.013 1.454 547 HG2 LYS 62 2HG LYS 62 10.867 -6.923 -0.553 548 HG3 LYS 62 3HG LYS 62 12.116 -7.806 0.330 549 HD2 LYS 62 2HD LYS 62 10.434 -9.698 0.603 550 HD3 LYS 62 3HD LYS 62 9.379 -8.814 -0.508 551 HE2 LYS 62 2HE LYS 62 10.630 -10.501 -1.738 552 HE3 LYS 62 3HE LYS 62 11.174 -8.896 -2.229 553 HZ1 LYS 62 3HZ LYS 62 13.076 -9.152 -0.701 554 HZ2 LYS 62 1HZ LYS 62 13.061 -10.345 -1.899 555 HZ3 LYS 62 2HZ LYS 62 12.564 -10.718 -0.328 556 H ILE 63 H ILE 63 8.869 -4.590 1.665 557 HA ILE 63 HA ILE 63 9.109 -3.539 -0.931 558 HB ILE 63 HB ILE 63 7.187 -3.082 1.351 559 HG12 ILE 63 2HG1 ILE 63 5.459 -3.710 -0.354 560 HG13 ILE 63 3HG1 ILE 63 6.707 -3.780 -1.587 561 HG21 ILE 63 1HG2 ILE 63 7.195 -1.218 -1.051 562 HG22 ILE 63 2HG2 ILE 63 7.485 -0.762 0.629 563 HG23 ILE 63 3HG2 ILE 63 5.893 -1.340 0.139 564 HD11 ILE 63 3HD1 ILE 63 6.069 -5.997 -0.907 565 HD12 ILE 63 1HD1 ILE 63 6.406 -5.622 0.784 566 HD13 ILE 63 2HD1 ILE 63 7.725 -5.691 -0.386 567 H LYS 64 H LYS 64 9.948 -2.061 2.229 568 HA LYS 64 HA LYS 64 10.432 0.546 1.107 569 HB2 LYS 64 2HB LYS 64 11.074 1.270 3.298 570 HB3 LYS 64 3HB LYS 64 9.703 0.204 3.451 571 HG2 LYS 64 2HG LYS 64 10.946 -0.454 5.245 572 HG3 LYS 64 3HG LYS 64 11.492 -1.609 4.032 573 HD2 LYS 64 2HD LYS 64 13.520 -0.239 3.648 574 HD3 LYS 64 3HD LYS 64 12.951 0.940 4.832 575 HE2 LYS 64 2HE LYS 64 13.105 -0.707 6.609 576 HE3 LYS 64 3HE LYS 64 13.542 -1.965 5.451 577 HZ1 LYS 64 3HZ LYS 64 15.561 -0.659 4.924 578 HZ2 LYS 64 1HZ LYS 64 15.513 -1.166 6.537 579 HZ3 LYS 64 2HZ LYS 64 15.152 0.440 6.143 580 H GLN 65 H GLN 65 12.455 -2.280 1.663 581 HA GLN 65 HA GLN 65 14.946 -0.931 1.056 582 HB2 GLN 65 2HB GLN 65 14.239 -3.895 1.018 583 HB3 GLN 65 3HB GLN 65 15.871 -3.256 0.838 584 HG2 GLN 65 2HG GLN 65 15.810 -2.345 3.099 585 HG3 GLN 65 3HG GLN 65 14.133 -2.852 3.288 586 HE21 GLN 65 1HE2 GLN 65 13.681 -5.100 3.508 587 HE22 GLN 65 2HE2 GLN 65 14.901 -6.209 4.018 588 H GLU 66 H GLU 66 12.750 -3.032 -0.790 589 HA GLU 66 HA GLU 66 14.344 -3.242 -3.127 590 HB2 GLU 66 2HB GLU 66 11.401 -3.825 -2.613 591 HB3 GLU 66 3HB GLU 66 12.226 -4.232 -4.111 592 HG2 GLU 66 2HG GLU 66 13.043 -5.291 -1.398 593 HG3 GLU 66 3HG GLU 66 11.948 -6.129 -2.492 594 H ALA 67 H ALA 67 11.382 -1.338 -2.439 595 HA ALA 67 HA ALA 67 11.492 -0.008 -5.045 596 HB1 ALA 67 3HB ALA 67 9.506 0.282 -2.760 597 HB2 ALA 67 1HB ALA 67 9.320 -0.760 -4.176 598 HB3 ALA 67 2HB ALA 67 9.349 0.991 -4.371 599 H ASN 68 H ASN 68 12.243 0.645 -1.689 600 HA ASN 68 HA ASN 68 13.076 2.383 -0.511 601 HB2 ASN 68 2HB ASN 68 14.988 1.962 -2.062 602 HB3 ASN 68 3HB ASN 68 14.354 3.179 -3.162 603 HD21 ASN 68 1HD2 ASN 68 16.213 4.450 -3.027 604 HD22 ASN 68 2HD2 ASN 68 16.646 5.339 -1.612 605 H VAL 69 H VAL 69 10.655 2.881 -0.688 606 HA VAL 69 HA VAL 69 10.220 5.684 -1.559 607 HB VAL 69 HB VAL 69 7.833 5.091 -2.061 608 HG11 VAL 69 1HG1 VAL 69 8.240 4.012 -4.239 609 HG12 VAL 69 2HG1 VAL 69 9.859 3.538 -3.719 610 HG13 VAL 69 3HG1 VAL 69 9.456 5.247 -3.903 611 HG21 VAL 69 3HG2 VAL 69 7.610 3.075 -0.676 612 HG22 VAL 69 1HG2 VAL 69 8.758 2.210 -1.702 613 HG23 VAL 69 2HG2 VAL 69 7.191 2.707 -2.350 614 H GLN 70 H GLN 70 8.323 6.722 -0.364 615 HA GLN 70 HA GLN 70 8.759 6.497 2.450 616 HB2 GLN 70 2HB GLN 70 6.655 8.083 0.924 617 HB3 GLN 70 3HB GLN 70 6.981 8.258 2.643 618 HG2 GLN 70 2HG GLN 70 8.987 8.829 0.438 619 HG3 GLN 70 3HG GLN 70 7.996 10.043 1.237 620 HE21 GLN 70 1HE2 GLN 70 9.787 11.194 1.983 621 HE22 GLN 70 2HE2 GLN 70 10.834 10.611 3.229 622 H VAL 71 H VAL 71 7.949 4.984 3.697 623 HA VAL 71 HA VAL 71 5.522 3.484 2.947 624 HB VAL 71 HB VAL 71 7.801 2.842 4.877 625 HG11 VAL 71 1HG1 VAL 71 5.307 1.177 4.363 626 HG12 VAL 71 2HG1 VAL 71 5.745 1.960 5.882 627 HG13 VAL 71 3HG1 VAL 71 6.727 0.635 5.261 628 HG21 VAL 71 3HG2 VAL 71 8.217 0.967 3.306 629 HG22 VAL 71 1HG2 VAL 71 8.381 2.544 2.533 630 HG23 VAL 71 2HG2 VAL 71 6.933 1.569 2.261 631 H TYR 72 H TYR 72 3.696 3.683 4.047 632 HA TYR 72 HA TYR 72 3.670 4.848 6.775 633 HB2 TYR 72 2HB TYR 72 1.552 4.968 4.566 634 HB3 TYR 72 3HB TYR 72 1.299 5.539 6.213 635 HD1 TYR 72 HD2 TYR 72 3.301 6.147 3.112 636 HD2 TYR 72 HD1 TYR 72 2.070 7.712 6.892 637 HE1 TYR 72 HE2 TYR 72 4.235 8.337 2.512 638 HE2 TYR 72 HE1 TYR 72 3.006 9.899 6.291 639 HH TYR 72 HH TYR 72 4.749 10.794 4.766 640 H ARG 73 H ARG 73 3.714 3.031 8.038 641 HA ARG 73 HA ARG 73 2.170 0.648 7.443 642 HB2 ARG 73 2HB ARG 73 4.241 0.434 8.797 643 HB3 ARG 73 3HB ARG 73 3.553 1.464 10.051 644 HG2 ARG 73 2HG ARG 73 1.814 -0.210 10.517 645 HG3 ARG 73 3HG ARG 73 2.410 -1.228 9.207 646 HD2 ARG 73 2HD ARG 73 3.179 -2.133 11.306 647 HD3 ARG 73 3HD ARG 73 4.570 -1.469 10.447 648 HE ARG 73 HE ARG 73 3.531 0.487 12.189 649 HH11 ARG 73 1HH1 ARG 73 5.303 -2.555 12.331 650 HH12 ARG 73 2HH1 ARG 73 6.074 -2.169 13.834 651 HH21 ARG 73 1HH2 ARG 73 4.557 0.986 14.144 652 HH22 ARG 73 2HH2 ARG 73 5.649 -0.151 14.868 653 H VAL 74 H VAL 74 0.050 0.795 7.516 654 HA VAL 74 HA VAL 74 -1.287 2.406 9.618 655 HB VAL 74 HB VAL 74 -2.063 1.848 6.725 656 HG11 VAL 74 1HG1 VAL 74 -4.138 3.103 7.119 657 HG12 VAL 74 2HG1 VAL 74 -3.792 3.155 8.845 658 HG13 VAL 74 3HG1 VAL 74 -4.097 1.608 8.050 659 HG21 VAL 74 3HG2 VAL 74 -0.473 3.684 7.017 660 HG22 VAL 74 1HG2 VAL 74 -1.513 4.434 8.229 661 HG23 VAL 74 2HG2 VAL 74 -2.047 4.333 6.551 662 H THR 75 H THR 75 -2.602 1.385 10.939 663 HA THR 75 HA THR 75 -3.675 -1.309 10.319 664 HB THR 75 HB THR 75 -3.619 -1.653 12.854 665 HG1 THR 75 HG1 THR 75 -3.289 0.240 13.821 666 HG21 THR 75 3HG2 THR 75 -1.207 -2.170 12.993 667 HG22 THR 75 1HG2 THR 75 -0.898 -1.206 11.551 668 HG23 THR 75 2HG2 THR 75 -1.860 -2.683 11.436 669 H SER 76 H SER 76 -4.395 1.931 10.825 670 HA SER 76 HA SER 76 -7.217 1.369 11.512 671 HB2 SER 76 2HB SER 76 -7.262 3.373 12.976 672 HB3 SER 76 3HB SER 76 -6.088 2.200 13.568 673 HG SER 76 HG SER 76 -4.535 3.486 12.265 674 H ASN 77 H ASN 77 -8.703 2.606 10.401 675 HA ASN 77 HA ASN 77 -8.083 3.706 7.925 676 HB2 ASN 77 2HB ASN 77 -10.551 4.206 9.647 677 HB3 ASN 77 3HB ASN 77 -10.400 4.753 7.980 678 HD21 ASN 77 1HD2 ASN 77 -10.937 2.042 10.049 679 HD22 ASN 77 2HD2 ASN 77 -11.323 0.906 8.806 680 H ASP 78 H ASP 78 -8.165 5.276 11.063 681 HA ASP 78 HA ASP 78 -8.293 7.967 10.483 682 HB2 ASP 78 2HB ASP 78 -6.455 6.659 12.547 683 HB3 ASP 78 3HB ASP 78 -6.879 8.369 12.510 684 H GLU 79 H GLU 79 -5.369 5.948 10.543 685 HA GLU 79 HA GLU 79 -3.491 7.965 9.857 686 HB2 GLU 79 2HB GLU 79 -3.218 4.941 9.512 687 HB3 GLU 79 3HB GLU 79 -1.900 6.102 9.633 688 HG2 GLU 79 2HG GLU 79 -2.477 6.572 11.960 689 HG3 GLU 79 3HG GLU 79 -3.889 5.529 11.845 690 H LEU 80 H LEU 80 -5.112 5.421 8.030 691 HA LEU 80 HA LEU 80 -3.996 5.634 5.500 692 HB2 LEU 80 2HB LEU 80 -5.470 3.816 6.310 693 HB3 LEU 80 3HB LEU 80 -6.833 4.896 6.339 694 HG LEU 80 HG LEU 80 -6.607 3.122 4.427 695 HD11 LEU 80 1HD1 LEU 80 -7.821 4.472 2.841 696 HD12 LEU 80 2HD1 LEU 80 -7.373 5.934 3.723 697 HD13 LEU 80 3HD1 LEU 80 -8.398 4.720 4.490 698 HD21 LEU 80 3HD2 LEU 80 -5.450 3.823 2.408 699 HD22 LEU 80 1HD2 LEU 80 -4.308 3.682 3.743 700 HD23 LEU 80 2HD2 LEU 80 -4.856 5.275 3.218 701 H GLU 81 H GLU 81 -6.837 7.324 6.823 702 HA GLU 81 HA GLU 81 -7.577 8.737 4.484 703 HB2 GLU 81 2HB GLU 81 -8.215 9.261 7.414 704 HB3 GLU 81 3HB GLU 81 -9.000 10.083 6.068 705 HG2 GLU 81 2HG GLU 81 -9.986 8.009 5.291 706 HG3 GLU 81 3HG GLU 81 -9.075 7.082 6.480 707 H GLN 82 H GLN 82 -5.440 9.522 7.205 708 HA GLN 82 HA GLN 82 -5.190 12.307 6.618 709 HB2 GLN 82 2HB GLN 82 -3.379 10.507 8.282 710 HB3 GLN 82 3HB GLN 82 -3.232 12.257 8.187 711 HG2 GLN 82 2HG GLN 82 -5.581 10.719 9.317 712 HG3 GLN 82 3HG GLN 82 -4.364 11.584 10.239 713 HE21 GLN 82 1HE2 GLN 82 -4.350 13.938 8.477 714 HE22 GLN 82 2HE2 GLN 82 -5.839 14.756 8.769 715 H VAL 83 H VAL 83 -3.346 9.429 5.633 716 HA VAL 83 HA VAL 83 -1.202 10.830 4.357 717 HB VAL 83 HB VAL 83 -2.194 8.054 3.556 718 HG11 VAL 83 1HG1 VAL 83 0.553 9.347 3.304 719 HG12 VAL 83 2HG1 VAL 83 -0.569 9.003 1.985 720 HG13 VAL 83 3HG1 VAL 83 0.169 7.676 2.882 721 HG21 VAL 83 3HG2 VAL 83 -0.614 7.104 5.189 722 HG22 VAL 83 1HG2 VAL 83 -1.838 8.091 5.985 723 HG23 VAL 83 2HG2 VAL 83 -0.210 8.726 5.759 724 H VAL 84 H VAL 84 -4.413 9.767 3.278 725 HA VAL 84 HA VAL 84 -4.072 10.519 0.524 726 HB VAL 84 HB VAL 84 -6.693 10.104 2.033 727 HG11 VAL 84 1HG1 VAL 84 -7.028 11.301 -0.091 728 HG12 VAL 84 2HG1 VAL 84 -7.688 9.670 -0.195 729 HG13 VAL 84 3HG1 VAL 84 -6.143 10.046 -0.962 730 HG21 VAL 84 3HG2 VAL 84 -5.257 8.104 2.189 731 HG22 VAL 84 1HG2 VAL 84 -5.084 8.073 0.434 732 HG23 VAL 84 2HG2 VAL 84 -6.661 7.789 1.172 733 H LYS 85 H LYS 85 -5.158 12.211 3.451 734 HA LYS 85 HA LYS 85 -5.981 14.637 2.161 735 HB2 LYS 85 2HB LYS 85 -5.027 14.173 5.023 736 HB3 LYS 85 3HB LYS 85 -5.669 15.703 4.436 737 HG2 LYS 85 2HG LYS 85 -7.819 14.468 3.868 738 HG3 LYS 85 3HG LYS 85 -7.150 13.075 4.718 739 HD2 LYS 85 2HD LYS 85 -8.632 14.271 6.224 740 HD3 LYS 85 3HD LYS 85 -6.973 14.474 6.792 741 HE2 LYS 85 2HE LYS 85 -6.890 16.720 5.845 742 HE3 LYS 85 3HE LYS 85 -8.489 16.510 5.129 743 HZ1 LYS 85 3HZ LYS 85 -7.924 16.478 8.046 744 HZ2 LYS 85 1HZ LYS 85 -9.442 16.377 7.318 745 HZ3 LYS 85 2HZ LYS 85 -8.541 17.802 7.189 746 H ASP 86 H ASP 86 -2.920 13.294 3.124 747 HA ASP 86 HA ASP 86 -1.360 15.698 3.014 748 HB2 ASP 86 2HB ASP 86 -0.778 13.595 4.345 749 HB3 ASP 86 3HB ASP 86 -0.361 12.818 2.826 750 H VAL 87 H VAL 87 -2.116 13.067 0.746 751 HA VAL 87 HA VAL 87 -0.242 13.930 -1.271 752 HB VAL 87 HB VAL 87 -1.075 11.506 -0.863 753 HG11 VAL 87 1HG1 VAL 87 -3.486 11.903 -0.945 754 HG12 VAL 87 2HG1 VAL 87 -2.997 10.725 -2.163 755 HG13 VAL 87 3HG1 VAL 87 -3.366 12.383 -2.639 756 HG21 VAL 87 3HG2 VAL 87 -0.696 10.856 -3.214 757 HG22 VAL 87 1HG2 VAL 87 0.453 12.086 -2.679 758 HG23 VAL 87 2HG2 VAL 87 -0.905 12.536 -3.716 759 H LYS 88 H LYS 88 -3.319 15.034 -0.366 760 HA LYS 88 HA LYS 88 -4.273 16.124 -2.811 761 HB2 LYS 88 2HB LYS 88 -4.592 17.170 0.041 762 HB3 LYS 88 3HB LYS 88 -5.498 17.766 -1.348 763 HG2 LYS 88 2HG LYS 88 -6.535 15.544 -1.629 764 HG3 LYS 88 3HG LYS 88 -5.616 14.942 -0.246 765 HD2 LYS 88 2HD LYS 88 -6.778 16.546 1.238 766 HD3 LYS 88 3HD LYS 88 -7.686 17.179 -0.141 767 HE2 LYS 88 2HE LYS 88 -7.837 14.354 0.967 768 HE3 LYS 88 3HE LYS 88 -9.063 15.611 1.144 769 HZ1 LYS 88 3HZ LYS 88 -8.210 14.297 -1.376 770 HZ2 LYS 88 1HZ LYS 88 -9.264 15.614 -1.313 771 HZ3 LYS 88 2HZ LYS 88 -9.706 14.143 -0.611 772 H GLY 89 H GLY 89 -3.466 17.761 -4.012 773 HA2 GLY 89 2HA GLY 89 -2.451 20.197 -3.355 774 HA3 GLY 89 3HA GLY 89 -1.033 19.149 -3.249 775 H SER 90 H SER 90 0.141 19.516 -5.015 776 HA SER 90 HA SER 90 0.858 19.698 -7.142 777 HB2 SER 90 2HB SER 90 -1.579 17.962 -7.740 778 HB3 SER 90 3HB SER 90 -0.229 18.228 -8.847 779 HG SER 90 HG SER 90 0.107 17.178 -6.236 780 H GLY 91 H GLY 91 -0.389 21.934 -6.271 781 HA2 GLY 91 2HA GLY 91 -2.317 23.037 -8.079 782 HA3 GLY 91 3HA GLY 91 -1.303 23.926 -6.954 783 H LEU 92 H LEU 92 -1.450 22.492 -10.115 784 HA LEU 92 HA LEU 92 1.220 23.163 -10.881 785 HB2 LEU 92 2HB LEU 92 0.774 22.040 -12.965 786 HB3 LEU 92 3HB LEU 92 0.174 21.075 -11.638 787 HG LEU 92 HG LEU 92 -1.555 22.673 -13.586 788 HD11 LEU 92 1HD1 LEU 92 -0.497 20.764 -14.676 789 HD12 LEU 92 2HD1 LEU 92 -2.229 20.500 -14.508 790 HD13 LEU 92 3HD1 LEU 92 -1.103 19.676 -13.424 791 HD21 LEU 92 3HD2 LEU 92 -2.720 22.509 -11.449 792 HD22 LEU 92 1HD2 LEU 92 -2.445 20.767 -11.393 793 HD23 LEU 92 2HD2 LEU 92 -3.490 21.461 -12.637 794 H GLU 93 H GLU 93 1.267 25.409 -10.613 795 HA GLU 93 HA GLU 93 -0.072 27.259 -12.323 796 HB2 GLU 93 2HB GLU 93 2.637 27.502 -10.944 797 HB3 GLU 93 3HB GLU 93 1.789 28.830 -11.728 798 HG2 GLU 93 2HG GLU 93 -0.096 28.486 -10.074 799 HG3 GLU 93 3HG GLU 93 0.929 27.320 -9.242 800 H HIS 94 H HIS 94 3.100 25.580 -12.539 801 HA HIS 94 HA HIS 94 3.218 25.989 -15.416 802 HB2 HIS 94 2HB HIS 94 5.159 24.487 -15.416 803 HB3 HIS 94 3HB HIS 94 5.345 25.657 -14.120 804 HD1 HIS 94 HD1 HIS 94 5.076 24.709 -11.647 805 HD2 HIS 94 HD2 HIS 94 5.250 21.822 -14.630 806 HE1 HIS 94 HE1 HIS 94 5.534 22.541 -10.470 807 HE2 HIS 94 HE2 HIS 94 5.461 20.803 -12.274 808 H HIS 95 H HIS 95 1.450 25.214 -16.386 809 HA HIS 95 HA HIS 95 -0.139 23.053 -15.432 810 HB2 HIS 95 2HB HIS 95 -0.179 24.627 -18.031 811 HB3 HIS 95 3HB HIS 95 -1.350 23.361 -17.672 812 HD1 HIS 95 HD1 HIS 95 -3.380 24.083 -16.470 813 HD2 HIS 95 HD2 HIS 95 -0.290 26.814 -15.999 814 HE1 HIS 95 HE1 HIS 95 -4.365 25.995 -15.184 815 HE2 HIS 95 HE2 HIS 95 -2.446 27.565 -14.789 816 H HIS 96 H HIS 96 -0.782 21.158 -16.791 817 HA HIS 96 HA HIS 96 1.474 19.455 -16.834 818 HB2 HIS 96 2HB HIS 96 -0.762 18.691 -16.122 819 HB3 HIS 96 3HB HIS 96 -1.372 18.897 -17.757 820 HD1 HIS 96 HD1 HIS 96 -1.248 16.905 -19.227 821 HD2 HIS 96 HD2 HIS 96 1.315 16.573 -15.970 822 HE1 HIS 96 HE1 HIS 96 -0.285 14.590 -19.354 823 HE2 HIS 96 HE2 HIS 96 1.314 14.441 -17.426 824 H HIS 97 H HIS 97 2.858 20.292 -18.369 825 HA HIS 97 HA HIS 97 2.484 19.280 -21.094 826 HB2 HIS 97 2HB HIS 97 3.446 22.140 -20.564 827 HB3 HIS 97 3HB HIS 97 3.376 21.350 -22.135 828 HD1 HIS 97 HD1 HIS 97 0.863 20.753 -22.971 829 HD2 HIS 97 HD2 HIS 97 1.161 23.498 -19.871 830 HE1 HIS 97 HE1 HIS 97 -1.358 21.908 -22.883 831 HE2 HIS 97 HE2 HIS 97 -1.225 23.362 -20.843 832 H HIS 98 H HIS 98 3.827 17.694 -19.948 833 HA HIS 98 HA HIS 98 6.699 18.437 -19.908 834 HB2 HIS 98 2HB HIS 98 5.837 17.929 -17.607 835 HB3 HIS 98 3HB HIS 98 5.338 16.330 -18.154 836 HD1 HIS 98 HD1 HIS 98 7.207 14.562 -18.524 837 HD2 HIS 98 HD2 HIS 98 8.632 18.231 -17.195 838 HE1 HIS 98 HE1 HIS 98 9.599 14.162 -17.878 839 HE2 HIS 98 HE2 HIS 98 10.367 16.342 -16.897 840 H HIS 99 H HIS 99 7.291 17.765 -21.901 841 HA HIS 99 HA HIS 99 6.419 15.284 -23.063 842 HB2 HIS 99 2HB HIS 99 7.950 15.814 -24.939 843 HB3 HIS 99 3HB HIS 99 6.896 17.167 -24.554 844 HD1 HIS 99 HD1 HIS 99 8.050 19.254 -23.365 845 HD2 HIS 99 HD2 HIS 99 10.668 16.382 -24.854 846 HE1 HIS 99 HE1 HIS 99 10.296 20.373 -23.483 847 HE2 HIS 99 HE2 HIS 99 11.883 18.562 -24.199 Start of MODEL 17 1 H1 MET 1 1H MET 1 3.821 11.561 -10.426 2 H2 MET 1 2H MET 1 3.609 9.888 -10.366 3 H3 MET 1 3H MET 1 4.860 10.544 -11.293 4 HA MET 1 HA MET 1 5.665 9.580 -9.255 5 HB2 MET 1 2HB MET 1 7.075 11.465 -8.542 6 HB3 MET 1 3HB MET 1 6.889 11.469 -10.291 7 HG2 MET 1 2HG MET 1 5.478 13.297 -8.326 8 HG3 MET 1 3HG MET 1 6.768 13.749 -9.452 9 HE1 MET 1 3HE MET 1 5.019 15.791 -10.165 10 HE2 MET 1 1HE MET 1 3.797 15.125 -9.090 11 HE3 MET 1 2HE MET 1 3.393 15.468 -10.774 12 H GLY 2 H GLY 2 3.268 12.159 -8.723 13 HA2 GLY 2 2HA GLY 2 3.588 12.083 -5.824 14 HA3 GLY 2 3HA GLY 2 2.639 13.222 -6.758 15 H ARG 3 H ARG 3 2.033 9.913 -7.511 16 HA ARG 3 HA ARG 3 -0.638 10.024 -6.380 17 HB2 ARG 3 2HB ARG 3 -1.011 7.897 -7.492 18 HB3 ARG 3 3HB ARG 3 -0.161 8.964 -8.609 19 HG2 ARG 3 2HG ARG 3 1.951 7.804 -8.164 20 HG3 ARG 3 3HG ARG 3 1.167 6.786 -6.954 21 HD2 ARG 3 2HD ARG 3 1.392 5.519 -8.980 22 HD3 ARG 3 3HD ARG 3 -0.318 5.885 -8.743 23 HE ARG 3 HE ARG 3 1.462 7.279 -10.669 24 HH11 ARG 3 1HH1 ARG 3 -1.729 6.140 -9.769 25 HH12 ARG 3 2HH1 ARG 3 -2.457 6.624 -11.266 26 HH21 ARG 3 1HH2 ARG 3 0.503 7.848 -12.644 27 HH22 ARG 3 2HH2 ARG 3 -1.191 7.590 -12.894 28 H LEU 4 H LEU 4 -1.484 8.360 -4.962 29 HA LEU 4 HA LEU 4 0.484 7.090 -3.149 30 HB2 LEU 4 2HB LEU 4 -1.103 8.859 -2.216 31 HB3 LEU 4 3HB LEU 4 -2.422 7.750 -2.544 32 HG LEU 4 HG LEU 4 -1.299 6.073 -0.989 33 HD11 LEU 4 1HD1 LEU 4 0.409 6.890 0.585 34 HD12 LEU 4 2HD1 LEU 4 0.507 8.412 -0.309 35 HD13 LEU 4 3HD1 LEU 4 0.983 6.897 -1.079 36 HD21 LEU 4 3HD2 LEU 4 -2.060 8.726 0.259 37 HD22 LEU 4 1HD2 LEU 4 -2.017 7.161 1.077 38 HD23 LEU 4 2HD2 LEU 4 -3.172 7.442 -0.223 39 H VAL 5 H VAL 5 0.552 4.940 -3.199 40 HA VAL 5 HA VAL 5 -1.731 3.367 -4.259 41 HB VAL 5 HB VAL 5 1.240 2.647 -4.144 42 HG11 VAL 5 1HG1 VAL 5 -1.074 0.886 -5.077 43 HG12 VAL 5 2HG1 VAL 5 -0.086 0.616 -3.642 44 HG13 VAL 5 3HG1 VAL 5 0.641 0.491 -5.244 45 HG21 VAL 5 3HG2 VAL 5 1.087 2.570 -6.612 46 HG22 VAL 5 1HG2 VAL 5 0.621 4.162 -6.006 47 HG23 VAL 5 2HG2 VAL 5 -0.618 3.021 -6.532 48 H VAL 6 H VAL 6 -2.935 2.549 -2.659 49 HA VAL 6 HA VAL 6 -1.782 2.005 -0.003 50 HB VAL 6 HB VAL 6 -4.706 2.067 -0.885 51 HG11 VAL 6 1HG1 VAL 6 -4.394 0.520 1.002 52 HG12 VAL 6 2HG1 VAL 6 -5.241 1.966 1.550 53 HG13 VAL 6 3HG1 VAL 6 -3.526 1.761 1.905 54 HG21 VAL 6 3HG2 VAL 6 -3.116 4.116 0.725 55 HG22 VAL 6 1HG2 VAL 6 -4.858 4.185 0.426 56 HG23 VAL 6 2HG2 VAL 6 -3.726 4.333 -0.917 57 H VAL 7 H VAL 7 -0.799 0.063 -0.193 58 HA VAL 7 HA VAL 7 -2.057 -2.226 -1.460 59 HB VAL 7 HB VAL 7 0.468 -2.161 0.225 60 HG11 VAL 7 1HG1 VAL 7 1.094 -4.213 -1.012 61 HG12 VAL 7 2HG1 VAL 7 -0.448 -4.163 -1.870 62 HG13 VAL 7 3HG1 VAL 7 -0.419 -4.428 -0.126 63 HG21 VAL 7 3HG2 VAL 7 0.686 -0.538 -1.619 64 HG22 VAL 7 1HG2 VAL 7 0.263 -1.794 -2.787 65 HG23 VAL 7 2HG2 VAL 7 1.760 -1.915 -1.854 66 H VAL 8 H VAL 8 -3.097 -3.817 -0.400 67 HA VAL 8 HA VAL 8 -3.328 -3.824 2.542 68 HB VAL 8 HB VAL 8 -5.748 -4.473 2.270 69 HG11 VAL 8 1HG1 VAL 8 -6.652 -2.232 1.708 70 HG12 VAL 8 2HG1 VAL 8 -5.088 -1.766 1.031 71 HG13 VAL 8 3HG1 VAL 8 -5.235 -2.114 2.755 72 HG21 VAL 8 3HG2 VAL 8 -5.346 -3.774 -0.669 73 HG22 VAL 8 1HG2 VAL 8 -6.887 -4.149 0.101 74 HG23 VAL 8 2HG2 VAL 8 -5.643 -5.390 -0.020 75 H THR 9 H THR 9 -3.652 -5.912 3.433 76 HA THR 9 HA THR 9 -2.996 -8.196 1.657 77 HB THR 9 HB THR 9 -2.425 -9.328 3.914 78 HG1 THR 9 HG1 THR 9 -1.999 -6.866 5.076 79 HG21 THR 9 3HG2 THR 9 -0.201 -8.239 4.069 80 HG22 THR 9 1HG2 THR 9 -0.780 -6.902 3.073 81 HG23 THR 9 2HG2 THR 9 -0.644 -8.521 2.385 82 H SER 10 H SER 10 -5.731 -6.854 2.419 83 HA SER 10 HA SER 10 -7.177 -9.396 2.671 84 HB2 SER 10 2HB SER 10 -7.099 -8.643 4.981 85 HB3 SER 10 3HB SER 10 -7.575 -7.010 4.521 86 HG SER 10 HG SER 10 -9.194 -8.679 5.364 87 H GLU 11 H GLU 11 -8.988 -9.475 1.528 88 HA GLU 11 HA GLU 11 -9.614 -7.565 -0.479 89 HB2 GLU 11 2HB GLU 11 -11.261 -9.911 0.546 90 HB3 GLU 11 3HB GLU 11 -11.487 -9.088 -0.997 91 HG2 GLU 11 2HG GLU 11 -9.310 -9.865 -1.779 92 HG3 GLU 11 3HG GLU 11 -8.964 -10.594 -0.212 93 H GLN 12 H GLN 12 -10.920 -8.230 2.736 94 HA GLN 12 HA GLN 12 -13.267 -6.646 2.651 95 HB2 GLN 12 2HB GLN 12 -12.878 -8.323 4.415 96 HB3 GLN 12 3HB GLN 12 -11.473 -7.432 4.997 97 HG2 GLN 12 2HG GLN 12 -12.942 -5.565 5.690 98 HG3 GLN 12 3HG GLN 12 -14.346 -6.437 5.080 99 HE21 GLN 12 1HE2 GLN 12 -11.709 -7.969 6.861 100 HE22 GLN 12 2HE2 GLN 12 -12.625 -8.309 8.279 101 H LEU 13 H LEU 13 -9.894 -5.939 3.521 102 HA LEU 13 HA LEU 13 -10.317 -3.173 4.171 103 HB2 LEU 13 2HB LEU 13 -7.751 -4.665 3.507 104 HB3 LEU 13 3HB LEU 13 -7.823 -3.032 4.157 105 HG LEU 13 HG LEU 13 -8.707 -5.573 5.579 106 HD11 LEU 13 1HD1 LEU 13 -6.847 -5.161 7.104 107 HD12 LEU 13 2HD1 LEU 13 -6.353 -3.760 6.151 108 HD13 LEU 13 3HD1 LEU 13 -6.283 -5.380 5.450 109 HD21 LEU 13 3HD2 LEU 13 -9.099 -4.154 7.558 110 HD22 LEU 13 1HD2 LEU 13 -10.172 -3.730 6.227 111 HD23 LEU 13 2HD2 LEU 13 -8.777 -2.710 6.593 112 H LYS 14 H LYS 14 -9.580 -4.970 1.224 113 HA LYS 14 HA LYS 14 -8.505 -2.891 -0.353 114 HB2 LYS 14 2HB LYS 14 -8.347 -5.290 -0.986 115 HB3 LYS 14 3HB LYS 14 -10.084 -5.323 -1.291 116 HG2 LYS 14 2HG LYS 14 -9.716 -3.532 -3.047 117 HG3 LYS 14 3HG LYS 14 -7.979 -3.760 -2.824 118 HD2 LYS 14 2HD LYS 14 -8.216 -6.135 -3.511 119 HD3 LYS 14 3HD LYS 14 -9.953 -5.898 -3.742 120 HE2 LYS 14 2HE LYS 14 -9.461 -4.202 -5.489 121 HE3 LYS 14 3HE LYS 14 -7.734 -4.491 -5.276 122 HZ1 LYS 14 3HZ LYS 14 -8.074 -6.768 -5.986 123 HZ2 LYS 14 1HZ LYS 14 -8.624 -5.688 -7.166 124 HZ3 LYS 14 2HZ LYS 14 -9.730 -6.488 -6.169 125 H GLU 15 H GLU 15 -11.825 -4.243 -0.341 126 HA GLU 15 HA GLU 15 -12.962 -2.344 -2.104 127 HB2 GLU 15 2HB GLU 15 -15.156 -3.171 -1.337 128 HB3 GLU 15 3HB GLU 15 -14.062 -4.502 -1.692 129 HG2 GLU 15 2HG GLU 15 -13.704 -4.956 0.637 130 HG3 GLU 15 3HG GLU 15 -14.529 -3.475 1.131 131 H GLU 16 H GLU 16 -12.441 -2.363 1.371 132 HA GLU 16 HA GLU 16 -14.238 -0.339 2.158 133 HB2 GLU 16 2HB GLU 16 -13.173 -1.981 3.696 134 HB3 GLU 16 3HB GLU 16 -11.615 -1.199 3.438 135 HG2 GLU 16 2HG GLU 16 -12.446 0.859 4.495 136 HG3 GLU 16 3HG GLU 16 -14.037 0.127 4.699 137 H VAL 17 H VAL 17 -10.672 -0.171 1.643 138 HA VAL 17 HA VAL 17 -10.456 2.631 1.880 139 HB VAL 17 HB VAL 17 -8.559 0.723 0.433 140 HG11 VAL 17 1HG1 VAL 17 -6.825 2.458 0.830 141 HG12 VAL 17 2HG1 VAL 17 -8.050 3.527 1.512 142 HG13 VAL 17 3HG1 VAL 17 -8.122 3.072 -0.191 143 HG21 VAL 17 3HG2 VAL 17 -8.494 1.705 3.322 144 HG22 VAL 17 1HG2 VAL 17 -7.280 0.673 2.558 145 HG23 VAL 17 2HG2 VAL 17 -8.922 0.073 2.803 146 H ARG 18 H ARG 18 -11.104 0.564 -0.947 147 HA ARG 18 HA ARG 18 -10.967 2.645 -2.917 148 HB2 ARG 18 2HB ARG 18 -12.259 -0.107 -2.972 149 HB3 ARG 18 3HB ARG 18 -12.333 0.994 -4.348 150 HG2 ARG 18 2HG ARG 18 -9.876 1.015 -4.467 151 HG3 ARG 18 3HG ARG 18 -9.794 -0.105 -3.104 152 HD2 ARG 18 2HD ARG 18 -10.931 -1.827 -4.417 153 HD3 ARG 18 3HD ARG 18 -11.159 -0.699 -5.758 154 HE ARG 18 HE ARG 18 -8.499 -1.653 -4.838 155 HH11 ARG 18 1HH1 ARG 18 -10.673 -0.805 -7.480 156 HH12 ARG 18 2HH1 ARG 18 -9.502 -1.137 -8.710 157 HH21 ARG 18 1HH2 ARG 18 -6.997 -2.091 -6.493 158 HH22 ARG 18 2HH2 ARG 18 -7.432 -1.862 -8.148 159 H LYS 19 H LYS 19 -13.472 1.535 -0.743 160 HA LYS 19 HA LYS 19 -15.726 2.768 -2.048 161 HB2 LYS 19 2HB LYS 19 -15.876 0.786 -0.465 162 HB3 LYS 19 3HB LYS 19 -15.427 1.851 0.854 163 HG2 LYS 19 2HG LYS 19 -17.807 1.525 0.944 164 HG3 LYS 19 3HG LYS 19 -17.504 3.184 0.425 165 HD2 LYS 19 2HD LYS 19 -19.320 2.209 -0.883 166 HD3 LYS 19 3HD LYS 19 -17.937 2.539 -1.927 167 HE2 LYS 19 2HE LYS 19 -18.976 0.364 -2.450 168 HE3 LYS 19 3HE LYS 19 -17.323 0.141 -1.872 169 HZ1 LYS 19 3HZ LYS 19 -18.923 -1.433 -0.912 170 HZ2 LYS 19 1HZ LYS 19 -19.761 -0.150 -0.198 171 HZ3 LYS 19 2HZ LYS 19 -18.171 -0.489 0.272 172 H LYS 20 H LYS 20 -13.565 3.533 0.622 173 HA LYS 20 HA LYS 20 -14.713 6.047 1.354 174 HB2 LYS 20 2HB LYS 20 -11.971 4.847 1.933 175 HB3 LYS 20 3HB LYS 20 -12.616 6.300 2.695 176 HG2 LYS 20 2HG LYS 20 -14.405 4.987 3.741 177 HG3 LYS 20 3HG LYS 20 -13.818 3.521 2.949 178 HD2 LYS 20 2HD LYS 20 -13.047 3.569 5.269 179 HD3 LYS 20 3HD LYS 20 -11.662 3.743 4.185 180 HE2 LYS 20 2HE LYS 20 -11.560 5.275 6.146 181 HE3 LYS 20 3HE LYS 20 -11.573 6.141 4.610 182 HZ1 LYS 20 3HZ LYS 20 -13.041 7.178 6.188 183 HZ2 LYS 20 1HZ LYS 20 -13.902 5.736 6.405 184 HZ3 LYS 20 2HZ LYS 20 -13.950 6.535 4.919 185 H PHE 21 H PHE 21 -11.914 5.027 -0.588 186 HA PHE 21 HA PHE 21 -11.661 7.666 -1.862 187 HB2 PHE 21 2HB PHE 21 -9.184 6.229 -0.827 188 HB3 PHE 21 3HB PHE 21 -9.296 7.856 -1.479 189 HD1 PHE 21 HD1 PHE 21 -10.359 9.697 -0.068 190 HD2 PHE 21 HD2 PHE 21 -9.545 5.789 1.479 191 HE1 PHE 21 HE1 PHE 21 -10.520 10.555 2.238 192 HE2 PHE 21 HE2 PHE 21 -9.723 6.664 3.753 193 HZ PHE 21 HZ PHE 21 -10.187 9.009 4.140 194 HA PRO 22 HA PRO 22 -11.071 4.438 -5.198 195 HB2 PRO 22 2HB PRO 22 -12.477 5.849 -7.107 196 HB3 PRO 22 3HB PRO 22 -13.260 4.743 -5.961 197 HG2 PRO 22 2HG PRO 22 -13.031 7.743 -5.808 198 HG3 PRO 22 3HG PRO 22 -14.452 6.706 -5.530 199 HD2 PRO 22 2HD PRO 22 -12.989 7.675 -3.459 200 HD3 PRO 22 3HD PRO 22 -13.747 6.066 -3.390 201 H GLN 23 H GLN 23 -10.300 7.669 -4.543 202 HA GLN 23 HA GLN 23 -9.053 8.520 -6.958 203 HB2 GLN 23 2HB GLN 23 -8.207 10.390 -5.504 204 HB3 GLN 23 3HB GLN 23 -9.945 10.134 -5.398 205 HG2 GLN 23 2HG GLN 23 -9.477 8.765 -3.281 206 HG3 GLN 23 3HG GLN 23 -7.835 9.400 -3.346 207 HE21 GLN 23 1HE2 GLN 23 -8.096 10.472 -1.383 208 HE22 GLN 23 2HE2 GLN 23 -9.088 11.862 -1.185 209 H VAL 24 H VAL 24 -7.974 6.396 -4.469 210 HA VAL 24 HA VAL 24 -5.145 6.646 -5.335 211 HB VAL 24 HB VAL 24 -4.504 5.568 -3.154 212 HG11 VAL 24 1HG1 VAL 24 -4.814 7.582 -1.759 213 HG12 VAL 24 2HG1 VAL 24 -6.041 8.179 -2.880 214 HG13 VAL 24 3HG1 VAL 24 -4.366 8.005 -3.414 215 HG21 VAL 24 3HG2 VAL 24 -6.136 5.506 -1.282 216 HG22 VAL 24 1HG2 VAL 24 -6.619 4.424 -2.590 217 HG23 VAL 24 2HG2 VAL 24 -7.429 5.980 -2.386 218 H GLU 25 H GLU 25 -3.948 4.754 -5.630 219 HA GLU 25 HA GLU 25 -5.441 2.590 -6.870 220 HB2 GLU 25 2HB GLU 25 -2.440 3.092 -6.645 221 HB3 GLU 25 3HB GLU 25 -3.141 1.735 -7.506 222 HG2 GLU 25 2HG GLU 25 -2.473 3.409 -9.099 223 HG3 GLU 25 3HG GLU 25 -4.234 3.317 -9.078 224 H VAL 26 H VAL 26 -6.275 1.128 -5.443 225 HA VAL 26 HA VAL 26 -4.759 0.406 -3.035 226 HB VAL 26 HB VAL 26 -7.672 -0.184 -3.684 227 HG11 VAL 26 1HG1 VAL 26 -7.887 -0.714 -1.261 228 HG12 VAL 26 2HG1 VAL 26 -6.152 -0.463 -1.059 229 HG13 VAL 26 3HG1 VAL 26 -6.738 -1.790 -2.062 230 HG21 VAL 26 3HG2 VAL 26 -8.232 1.655 -2.114 231 HG22 VAL 26 1HG2 VAL 26 -7.296 2.255 -3.488 232 HG23 VAL 26 2HG2 VAL 26 -6.515 2.018 -1.921 233 H ARG 27 H ARG 27 -3.431 -1.236 -3.400 234 HA ARG 27 HA ARG 27 -4.039 -3.292 -5.411 235 HB2 ARG 27 2HB ARG 27 -1.884 -2.144 -5.628 236 HB3 ARG 27 3HB ARG 27 -1.455 -2.567 -3.975 237 HG2 ARG 27 2HG ARG 27 -0.268 -4.014 -5.520 238 HG3 ARG 27 3HG ARG 27 -1.429 -4.972 -4.600 239 HD2 ARG 27 2HD ARG 27 -3.001 -4.779 -6.598 240 HD3 ARG 27 3HD ARG 27 -1.659 -4.050 -7.488 241 HE ARG 27 HE ARG 27 -1.780 -6.830 -6.474 242 HH11 ARG 27 1HH1 ARG 27 -0.256 -4.482 -8.601 243 HH12 ARG 27 2HH1 ARG 27 0.664 -5.676 -9.454 244 HH21 ARG 27 1HH2 ARG 27 -0.596 -8.389 -7.652 245 HH22 ARG 27 2HH2 ARG 27 0.474 -7.884 -8.920 246 H LEU 28 H LEU 28 -4.304 -5.425 -4.888 247 HA LEU 28 HA LEU 28 -4.595 -6.156 -2.057 248 HB2 LEU 28 2HB LEU 28 -6.472 -6.546 -3.614 249 HB3 LEU 28 3HB LEU 28 -5.451 -7.568 -4.607 250 HG LEU 28 HG LEU 28 -5.296 -9.220 -2.731 251 HD11 LEU 28 1HD1 LEU 28 -6.764 -9.010 -0.764 252 HD12 LEU 28 2HD1 LEU 28 -7.231 -7.386 -1.283 253 HD13 LEU 28 3HD1 LEU 28 -5.559 -7.728 -0.830 254 HD21 LEU 28 3HD2 LEU 28 -7.585 -10.079 -2.897 255 HD22 LEU 28 1HD2 LEU 28 -7.009 -9.500 -4.457 256 HD23 LEU 28 2HD2 LEU 28 -8.144 -8.523 -3.520 257 H VAL 29 H VAL 29 -3.371 -7.714 -1.087 258 HA VAL 29 HA VAL 29 -1.478 -9.363 -2.664 259 HB VAL 29 HB VAL 29 -0.944 -7.878 -0.044 260 HG11 VAL 29 1HG1 VAL 29 -0.053 -10.154 0.260 261 HG12 VAL 29 2HG1 VAL 29 1.282 -9.019 0.047 262 HG13 VAL 29 3HG1 VAL 29 0.785 -10.057 -1.293 263 HG21 VAL 29 3HG2 VAL 29 0.520 -7.850 -2.713 264 HG22 VAL 29 1HG2 VAL 29 0.979 -6.922 -1.283 265 HG23 VAL 29 2HG2 VAL 29 -0.545 -6.580 -2.105 266 H THR 30 H THR 30 -2.200 -11.423 -2.491 267 HA THR 30 HA THR 30 -3.460 -12.398 -0.004 268 HB THR 30 HB THR 30 -4.046 -14.438 -1.346 269 HG1 THR 30 HG1 THR 30 -2.991 -13.009 -3.584 270 HG21 THR 30 3HG2 THR 30 -4.884 -11.827 -2.680 271 HG22 THR 30 1HG2 THR 30 -5.667 -12.568 -1.281 272 HG23 THR 30 2HG2 THR 30 -5.711 -13.376 -2.849 273 H THR 31 H THR 31 -0.581 -12.783 -1.978 274 HA THR 31 HA THR 31 0.693 -14.545 0.027 275 HB THR 31 HB THR 31 1.794 -15.857 -1.786 276 HG1 THR 31 HG1 THR 31 0.168 -14.255 -3.473 277 HG21 THR 31 3HG2 THR 31 -1.231 -15.899 -2.086 278 HG22 THR 31 1HG2 THR 31 -0.316 -16.763 -0.843 279 HG23 THR 31 2HG2 THR 31 -0.125 -17.194 -2.543 280 H GLU 32 H GLU 32 3.138 -14.581 -0.319 281 HA GLU 32 HA GLU 32 4.256 -12.029 -0.118 282 HB2 GLU 32 2HB GLU 32 5.342 -14.057 0.795 283 HB3 GLU 32 3HB GLU 32 5.654 -14.639 -0.835 284 HG2 GLU 32 2HG GLU 32 7.132 -12.672 -1.233 285 HG3 GLU 32 3HG GLU 32 6.858 -12.149 0.432 286 H GLU 33 H GLU 33 4.003 -14.203 -2.916 287 HA GLU 33 HA GLU 33 5.740 -12.956 -4.714 288 HB2 GLU 33 2HB GLU 33 3.205 -14.542 -5.274 289 HB3 GLU 33 3HB GLU 33 4.336 -14.034 -6.530 290 HG2 GLU 33 2HG GLU 33 6.135 -15.298 -5.230 291 HG3 GLU 33 3HG GLU 33 4.827 -15.990 -4.266 292 H ASP 34 H ASP 34 2.302 -12.287 -4.037 293 HA ASP 34 HA ASP 34 1.778 -10.435 -6.100 294 HB2 ASP 34 2HB ASP 34 0.567 -10.488 -3.297 295 HB3 ASP 34 3HB ASP 34 -0.058 -9.540 -4.643 296 H ALA 35 H ALA 35 3.046 -9.983 -2.820 297 HA ALA 35 HA ALA 35 3.168 -7.139 -2.816 298 HB1 ALA 35 3HB ALA 35 4.581 -7.408 -0.801 299 HB2 ALA 35 1HB ALA 35 4.740 -9.130 -1.133 300 HB3 ALA 35 2HB ALA 35 3.159 -8.453 -0.731 301 H LYS 36 H LYS 36 5.455 -9.659 -3.786 302 HA LYS 36 HA LYS 36 7.690 -7.953 -4.290 303 HB2 LYS 36 2HB LYS 36 7.052 -10.736 -5.350 304 HB3 LYS 36 3HB LYS 36 8.623 -9.938 -5.469 305 HG2 LYS 36 2HG LYS 36 8.783 -9.899 -2.997 306 HG3 LYS 36 3HG LYS 36 7.215 -10.697 -2.887 307 HD2 LYS 36 2HD LYS 36 8.985 -12.334 -2.554 308 HD3 LYS 36 3HD LYS 36 8.149 -12.677 -4.070 309 HE2 LYS 36 2HE LYS 36 9.986 -11.688 -5.348 310 HE3 LYS 36 3HE LYS 36 10.784 -11.173 -3.860 311 HZ1 LYS 36 3HZ LYS 36 10.944 -13.552 -3.260 312 HZ2 LYS 36 1HZ LYS 36 11.827 -13.130 -4.644 313 HZ3 LYS 36 2HZ LYS 36 10.356 -13.943 -4.796 314 H GLN 37 H GLN 37 4.923 -9.015 -6.187 315 HA GLN 37 HA GLN 37 5.755 -7.874 -8.689 316 HB2 GLN 37 2HB GLN 37 2.984 -8.638 -7.684 317 HB3 GLN 37 3HB GLN 37 3.354 -8.178 -9.348 318 HG2 GLN 37 2HG GLN 37 4.705 -10.121 -9.684 319 HG3 GLN 37 3HG GLN 37 4.699 -10.514 -7.965 320 HE21 GLN 37 1HE2 GLN 37 3.839 -12.579 -8.225 321 HE22 GLN 37 2HE2 GLN 37 2.215 -12.861 -8.747 322 H VAL 38 H VAL 38 4.056 -6.678 -5.830 323 HA VAL 38 HA VAL 38 3.229 -4.169 -6.869 324 HB VAL 38 HB VAL 38 3.962 -4.788 -3.961 325 HG11 VAL 38 1HG1 VAL 38 2.266 -2.538 -5.119 326 HG12 VAL 38 2HG1 VAL 38 3.873 -2.361 -4.416 327 HG13 VAL 38 3HG1 VAL 38 2.520 -2.845 -3.396 328 HG21 VAL 38 3HG2 VAL 38 1.274 -4.978 -5.369 329 HG22 VAL 38 1HG2 VAL 38 1.501 -5.106 -3.622 330 HG23 VAL 38 2HG2 VAL 38 2.206 -6.311 -4.697 331 H ILE 39 H ILE 39 6.264 -5.292 -5.321 332 HA ILE 39 HA ILE 39 7.699 -2.908 -5.163 333 HB ILE 39 HB ILE 39 8.805 -5.634 -5.984 334 HG12 ILE 39 2HG1 ILE 39 8.626 -4.376 -3.207 335 HG13 ILE 39 3HG1 ILE 39 7.599 -5.672 -3.802 336 HG21 ILE 39 1HG2 ILE 39 11.000 -4.837 -5.175 337 HG22 ILE 39 2HG2 ILE 39 10.311 -3.246 -4.841 338 HG23 ILE 39 3HG2 ILE 39 10.416 -3.834 -6.503 339 HD11 ILE 39 3HD1 ILE 39 9.553 -7.147 -3.959 340 HD12 ILE 39 1HD1 ILE 39 9.317 -6.524 -2.327 341 HD13 ILE 39 2HD1 ILE 39 10.579 -5.847 -3.351 342 H LYS 40 H LYS 40 7.371 -5.099 -7.962 343 HA LYS 40 HA LYS 40 8.927 -3.610 -9.814 344 HB2 LYS 40 2HB LYS 40 6.659 -5.573 -10.370 345 HB3 LYS 40 3HB LYS 40 7.830 -5.000 -11.558 346 HG2 LYS 40 2HG LYS 40 9.647 -6.062 -10.205 347 HG3 LYS 40 3HG LYS 40 8.411 -6.720 -9.125 348 HD2 LYS 40 2HD LYS 40 8.688 -7.315 -12.104 349 HD3 LYS 40 3HD LYS 40 9.162 -8.394 -10.790 350 HE2 LYS 40 2HE LYS 40 6.817 -8.593 -10.079 351 HE3 LYS 40 3HE LYS 40 6.321 -7.449 -11.326 352 HZ1 LYS 40 3HZ LYS 40 7.029 -8.987 -13.007 353 HZ2 LYS 40 1HZ LYS 40 5.938 -9.750 -11.966 354 HZ3 LYS 40 2HZ LYS 40 7.593 -10.077 -11.842 355 H GLU 41 H GLU 41 5.475 -3.603 -8.984 356 HA GLU 41 HA GLU 41 4.522 -1.969 -11.084 357 HB2 GLU 41 2HB GLU 41 3.043 -3.397 -9.659 358 HB3 GLU 41 3HB GLU 41 3.357 -2.328 -8.295 359 HG2 GLU 41 2HG GLU 41 2.381 -0.436 -9.749 360 HG3 GLU 41 3HG GLU 41 1.822 -1.704 -10.835 361 H ILE 42 H ILE 42 5.698 -1.207 -7.817 362 HA ILE 42 HA ILE 42 5.124 1.542 -7.743 363 HB ILE 42 HB ILE 42 7.305 -0.041 -6.301 364 HG12 ILE 42 2HG1 ILE 42 4.616 0.890 -5.185 365 HG13 ILE 42 3HG1 ILE 42 4.878 -0.715 -5.849 366 HG21 ILE 42 1HG2 ILE 42 6.275 2.753 -5.688 367 HG22 ILE 42 2HG2 ILE 42 7.883 2.341 -6.283 368 HG23 ILE 42 3HG2 ILE 42 7.388 1.832 -4.670 369 HD11 ILE 42 3HD1 ILE 42 6.275 0.445 -3.433 370 HD12 ILE 42 1HD1 ILE 42 6.550 -1.166 -4.107 371 HD13 ILE 42 2HD1 ILE 42 4.977 -0.748 -3.431 372 H GLN 43 H GLN 43 7.940 -0.293 -8.879 373 HA GLN 43 HA GLN 43 9.640 1.935 -9.436 374 HB2 GLN 43 2HB GLN 43 9.717 -0.935 -10.468 375 HB3 GLN 43 3HB GLN 43 11.005 0.245 -10.712 376 HG2 GLN 43 2HG GLN 43 11.355 0.395 -8.284 377 HG3 GLN 43 3HG GLN 43 10.042 -0.746 -8.007 378 HE21 GLN 43 1HE2 GLN 43 11.458 -2.168 -6.903 379 HE22 GLN 43 2HE2 GLN 43 12.624 -3.129 -7.740 380 H LYS 44 H LYS 44 7.417 0.001 -11.384 381 HA LYS 44 HA LYS 44 7.953 1.140 -13.929 382 HB2 LYS 44 2HB LYS 44 6.937 -1.079 -13.734 383 HB3 LYS 44 3HB LYS 44 5.557 -0.423 -12.868 384 HG2 LYS 44 2HG LYS 44 4.962 -0.982 -15.180 385 HG3 LYS 44 3HG LYS 44 4.804 0.749 -14.875 386 HD2 LYS 44 2HD LYS 44 7.014 1.126 -15.990 387 HD3 LYS 44 3HD LYS 44 7.109 -0.606 -16.339 388 HE2 LYS 44 2HE LYS 44 4.913 1.247 -17.335 389 HE3 LYS 44 3HE LYS 44 6.312 0.746 -18.285 390 HZ1 LYS 44 3HZ LYS 44 4.311 -0.563 -18.757 391 HZ2 LYS 44 1HZ LYS 44 4.283 -1.117 -17.162 392 HZ3 LYS 44 2HZ LYS 44 5.575 -1.522 -18.177 393 H LYS 45 H LYS 45 5.386 1.708 -11.571 394 HA LYS 45 HA LYS 45 4.028 3.700 -13.144 395 HB2 LYS 45 2HB LYS 45 2.965 1.923 -11.649 396 HB3 LYS 45 3HB LYS 45 3.526 2.853 -10.268 397 HG2 LYS 45 2HG LYS 45 2.101 4.750 -10.977 398 HG3 LYS 45 3HG LYS 45 1.561 3.810 -12.374 399 HD2 LYS 45 2HD LYS 45 1.121 3.043 -9.456 400 HD3 LYS 45 3HD LYS 45 -0.089 3.768 -10.509 401 HE2 LYS 45 2HE LYS 45 -0.063 1.780 -11.948 402 HE3 LYS 45 3HE LYS 45 1.216 1.064 -10.966 403 HZ1 LYS 45 3HZ LYS 45 -1.002 0.203 -10.452 404 HZ2 LYS 45 1HZ LYS 45 -1.495 1.744 -9.961 405 HZ3 LYS 45 2HZ LYS 45 -0.272 0.930 -9.115 406 H GLY 46 H GLY 46 6.430 3.594 -10.640 407 HA2 GLY 46 2HA GLY 46 7.969 5.211 -10.031 408 HA3 GLY 46 3HA GLY 46 7.140 6.361 -11.069 409 H VAL 47 H VAL 47 6.150 4.480 -8.207 410 HA VAL 47 HA VAL 47 4.588 6.742 -7.213 411 HB VAL 47 HB VAL 47 4.887 3.982 -5.943 412 HG11 VAL 47 1HG1 VAL 47 2.660 6.048 -5.733 413 HG12 VAL 47 2HG1 VAL 47 3.857 5.683 -4.489 414 HG13 VAL 47 3HG1 VAL 47 2.669 4.464 -4.951 415 HG21 VAL 47 3HG2 VAL 47 4.199 3.651 -8.289 416 HG22 VAL 47 1HG2 VAL 47 2.865 4.789 -8.074 417 HG23 VAL 47 2HG2 VAL 47 2.875 3.262 -7.190 418 H GLN 48 H GLN 48 5.499 8.182 -5.814 419 HA GLN 48 HA GLN 48 8.025 7.756 -4.517 420 HB2 GLN 48 2HB GLN 48 5.975 9.974 -4.126 421 HB3 GLN 48 3HB GLN 48 7.610 9.986 -3.466 422 HG2 GLN 48 2HG GLN 48 8.541 10.006 -5.753 423 HG3 GLN 48 3HG GLN 48 6.907 9.978 -6.421 424 HE21 GLN 48 1HE2 GLN 48 9.299 11.931 -4.770 425 HE22 GLN 48 2HE2 GLN 48 8.500 13.446 -5.010 426 H LYS 49 H LYS 49 4.677 8.077 -3.316 427 HA LYS 49 HA LYS 49 5.513 7.021 -0.676 428 HB2 LYS 49 2HB LYS 49 3.335 9.022 -1.401 429 HB3 LYS 49 3HB LYS 49 3.444 8.250 0.180 430 HG2 LYS 49 2HG LYS 49 5.738 9.212 0.448 431 HG3 LYS 49 3HG LYS 49 5.518 10.096 -1.067 432 HD2 LYS 49 2HD LYS 49 3.644 10.380 1.320 433 HD3 LYS 49 3HD LYS 49 5.070 11.391 1.103 434 HE2 LYS 49 2HE LYS 49 2.824 11.200 -0.929 435 HE3 LYS 49 3HE LYS 49 2.925 12.439 0.325 436 HZ1 LYS 49 3HZ LYS 49 3.819 13.231 -1.764 437 HZ2 LYS 49 1HZ LYS 49 4.941 11.973 -1.805 438 HZ3 LYS 49 2HZ LYS 49 5.040 13.157 -0.603 439 H VAL 50 H VAL 50 4.820 5.110 -0.249 440 HA VAL 50 HA VAL 50 2.338 3.988 -1.407 441 HB VAL 50 HB VAL 50 4.858 2.487 -0.518 442 HG11 VAL 50 1HG1 VAL 50 2.824 1.107 -0.261 443 HG12 VAL 50 2HG1 VAL 50 3.831 0.485 -1.569 444 HG13 VAL 50 3HG1 VAL 50 2.383 1.423 -1.942 445 HG21 VAL 50 3HG2 VAL 50 5.296 2.069 -2.915 446 HG22 VAL 50 1HG2 VAL 50 5.294 3.797 -2.567 447 HG23 VAL 50 2HG2 VAL 50 3.898 3.054 -3.353 448 H VAL 51 H VAL 51 1.005 2.885 0.034 449 HA VAL 51 HA VAL 51 1.551 3.063 2.936 450 HB VAL 51 HB VAL 51 -1.099 3.091 1.412 451 HG11 VAL 51 1HG1 VAL 51 -2.236 3.296 3.612 452 HG12 VAL 51 2HG1 VAL 51 -0.690 3.039 4.424 453 HG13 VAL 51 3HG1 VAL 51 -1.398 1.750 3.450 454 HG21 VAL 51 3HG2 VAL 51 0.074 5.262 1.446 455 HG22 VAL 51 1HG2 VAL 51 0.163 5.198 3.207 456 HG23 VAL 51 2HG2 VAL 51 -1.405 5.330 2.405 457 H LEU 52 H LEU 52 1.570 1.134 4.052 458 HA LEU 52 HA LEU 52 0.607 -1.332 2.711 459 HB2 LEU 52 2HB LEU 52 2.945 -0.972 4.619 460 HB3 LEU 52 3HB LEU 52 2.321 -2.534 4.122 461 HG LEU 52 HG LEU 52 3.652 -0.478 2.304 462 HD11 LEU 52 1HD1 LEU 52 5.439 -2.110 2.063 463 HD12 LEU 52 2HD1 LEU 52 4.618 -3.209 3.175 464 HD13 LEU 52 3HD1 LEU 52 5.232 -1.660 3.755 465 HD21 LEU 52 3HD2 LEU 52 2.519 -3.191 1.580 466 HD22 LEU 52 1HD2 LEU 52 3.529 -2.186 0.530 467 HD23 LEU 52 2HD2 LEU 52 1.946 -1.613 1.037 468 H VAL 53 H VAL 53 -1.279 -1.832 3.594 469 HA VAL 53 HA VAL 53 -1.951 -1.120 6.354 470 HB VAL 53 HB VAL 53 -3.834 -2.047 4.138 471 HG11 VAL 53 1HG1 VAL 53 -4.747 -2.515 6.385 472 HG12 VAL 53 2HG1 VAL 53 -5.653 -1.211 5.620 473 HG13 VAL 53 3HG1 VAL 53 -4.465 -0.839 6.871 474 HG21 VAL 53 3HG2 VAL 53 -4.546 0.317 3.954 475 HG22 VAL 53 1HG2 VAL 53 -2.835 0.136 3.561 476 HG23 VAL 53 2HG2 VAL 53 -3.317 0.787 5.129 477 H GLY 54 H GLY 54 -1.647 -2.647 7.833 478 HA2 GLY 54 2HA GLY 54 -1.907 -4.557 9.042 479 HA3 GLY 54 3HA GLY 54 -3.111 -5.051 7.866 480 H VAL 55 H VAL 55 0.322 -4.411 7.225 481 HA VAL 55 HA VAL 55 0.624 -7.124 6.102 482 HB VAL 55 HB VAL 55 2.595 -6.278 4.914 483 HG11 VAL 55 1HG1 VAL 55 1.595 -4.504 3.496 484 HG12 VAL 55 2HG1 VAL 55 0.322 -4.264 4.695 485 HG13 VAL 55 3HG1 VAL 55 0.447 -5.796 3.836 486 HG21 VAL 55 3HG2 VAL 55 3.399 -3.938 5.143 487 HG22 VAL 55 1HG2 VAL 55 3.548 -4.824 6.662 488 HG23 VAL 55 2HG2 VAL 55 2.236 -3.663 6.441 489 H SER 56 H SER 56 2.648 -8.273 6.519 490 HA SER 56 HA SER 56 3.626 -8.196 9.243 491 HB2 SER 56 2HB SER 56 5.105 -10.070 8.463 492 HB3 SER 56 3HB SER 56 3.417 -10.366 8.057 493 HG SER 56 HG SER 56 4.630 -10.827 6.261 494 H GLU 57 H GLU 57 5.878 -7.715 9.803 495 HA GLU 57 HA GLU 57 7.006 -5.481 8.386 496 HB2 GLU 57 2HB GLU 57 8.780 -5.457 10.033 497 HB3 GLU 57 3HB GLU 57 7.240 -5.697 10.850 498 HG2 GLU 57 2HG GLU 57 7.727 -8.033 11.243 499 HG3 GLU 57 3HG GLU 57 9.160 -7.963 10.214 500 H LYS 58 H LYS 58 7.411 -8.913 8.217 501 HA LYS 58 HA LYS 58 9.902 -9.150 6.908 502 HB2 LYS 58 2HB LYS 58 7.413 -10.889 6.524 503 HB3 LYS 58 3HB LYS 58 9.066 -11.346 6.112 504 HG2 LYS 58 2HG LYS 58 8.013 -10.818 8.909 505 HG3 LYS 58 3HG LYS 58 8.291 -12.407 8.204 506 HD2 LYS 58 2HD LYS 58 10.524 -10.370 8.560 507 HD3 LYS 58 3HD LYS 58 10.064 -11.492 9.836 508 HE2 LYS 58 2HE LYS 58 11.954 -12.421 8.680 509 HE3 LYS 58 3HE LYS 58 10.543 -13.386 8.265 510 HZ1 LYS 58 3HZ LYS 58 11.703 -11.258 6.551 511 HZ2 LYS 58 1HZ LYS 58 10.431 -12.302 6.141 512 HZ3 LYS 58 2HZ LYS 58 11.990 -12.913 6.371 513 H LEU 59 H LEU 59 6.620 -8.480 5.706 514 HA LEU 59 HA LEU 59 7.469 -8.176 2.938 515 HB2 LEU 59 2HB LEU 59 4.816 -7.677 4.336 516 HB3 LEU 59 3HB LEU 59 5.070 -7.310 2.635 517 HG LEU 59 HG LEU 59 5.233 -10.082 3.887 518 HD11 LEU 59 1HD1 LEU 59 3.107 -8.917 2.065 519 HD12 LEU 59 2HD1 LEU 59 2.933 -9.238 3.793 520 HD13 LEU 59 3HD1 LEU 59 3.181 -10.574 2.673 521 HD21 LEU 59 3HD2 LEU 59 5.427 -10.924 1.583 522 HD22 LEU 59 1HD2 LEU 59 6.780 -9.873 1.987 523 HD23 LEU 59 2HD2 LEU 59 5.474 -9.271 0.964 524 H LEU 60 H LEU 60 6.705 -6.087 5.706 525 HA LEU 60 HA LEU 60 6.204 -3.700 4.332 526 HB2 LEU 60 2HB LEU 60 5.584 -4.225 6.708 527 HB3 LEU 60 3HB LEU 60 7.256 -3.993 7.165 528 HG LEU 60 HG LEU 60 5.681 -1.723 5.881 529 HD11 LEU 60 1HD1 LEU 60 5.720 -2.336 8.846 530 HD12 LEU 60 2HD1 LEU 60 4.328 -2.481 7.770 531 HD13 LEU 60 3HD1 LEU 60 5.036 -0.898 8.082 532 HD21 LEU 60 3HD2 LEU 60 8.040 -1.678 7.813 533 HD22 LEU 60 1HD2 LEU 60 7.233 -0.259 7.132 534 HD23 LEU 60 2HD2 LEU 60 8.113 -1.361 6.077 535 H GLN 61 H GLN 61 9.109 -4.659 6.128 536 HA GLN 61 HA GLN 61 10.646 -2.385 5.380 537 HB2 GLN 61 2HB GLN 61 11.590 -5.042 6.548 538 HB3 GLN 61 3HB GLN 61 12.511 -3.534 6.528 539 HG2 GLN 61 2HG GLN 61 10.834 -2.476 7.986 540 HG3 GLN 61 3HG GLN 61 9.876 -3.958 7.982 541 HE21 GLN 61 1HE2 GLN 61 9.999 -4.252 10.204 542 HE22 GLN 61 2HE2 GLN 61 11.452 -4.681 11.023 543 H LYS 62 H LYS 62 10.293 -5.637 4.051 544 HA LYS 62 HA LYS 62 12.567 -5.603 2.353 545 HB2 LYS 62 2HB LYS 62 11.452 -7.711 2.925 546 HB3 LYS 62 3HB LYS 62 9.988 -7.192 2.095 547 HG2 LYS 62 2HG LYS 62 11.132 -7.256 -0.069 548 HG3 LYS 62 3HG LYS 62 12.669 -7.619 0.717 549 HD2 LYS 62 2HD LYS 62 11.678 -9.638 -0.278 550 HD3 LYS 62 3HD LYS 62 11.803 -9.782 1.475 551 HE2 LYS 62 2HE LYS 62 9.372 -9.193 1.656 552 HE3 LYS 62 3HE LYS 62 9.285 -9.155 -0.108 553 HZ1 LYS 62 3HZ LYS 62 8.539 -11.261 0.852 554 HZ2 LYS 62 1HZ LYS 62 10.073 -11.510 1.506 555 HZ3 LYS 62 2HZ LYS 62 9.870 -11.472 -0.173 556 H ILE 63 H ILE 63 9.101 -5.045 1.609 557 HA ILE 63 HA ILE 63 9.357 -4.237 -1.057 558 HB ILE 63 HB ILE 63 7.206 -3.891 1.053 559 HG12 ILE 63 2HG1 ILE 63 5.797 -5.209 -0.505 560 HG13 ILE 63 3HG1 ILE 63 7.037 -5.130 -1.741 561 HG21 ILE 63 1HG2 ILE 63 7.026 -2.529 -1.651 562 HG22 ILE 63 2HG2 ILE 63 7.097 -1.732 -0.079 563 HG23 ILE 63 3HG2 ILE 63 5.690 -2.706 -0.508 564 HD11 ILE 63 3HD1 ILE 63 7.204 -6.630 0.860 565 HD12 ILE 63 1HD1 ILE 63 8.490 -6.535 -0.345 566 HD13 ILE 63 2HD1 ILE 63 6.958 -7.312 -0.746 567 H LYS 64 H LYS 64 9.568 -2.399 1.951 568 HA LYS 64 HA LYS 64 9.669 0.231 0.978 569 HB2 LYS 64 2HB LYS 64 9.339 -0.442 3.371 570 HB3 LYS 64 3HB LYS 64 11.020 -0.937 3.459 571 HG2 LYS 64 2HG LYS 64 10.300 1.923 2.775 572 HG3 LYS 64 3HG LYS 64 10.271 1.377 4.452 573 HD2 LYS 64 2HD LYS 64 12.676 0.756 4.285 574 HD3 LYS 64 3HD LYS 64 12.697 1.290 2.604 575 HE2 LYS 64 2HE LYS 64 12.172 3.052 5.019 576 HE3 LYS 64 3HE LYS 64 13.664 2.993 4.081 577 HZ1 LYS 64 3HZ LYS 64 12.344 3.716 2.128 578 HZ2 LYS 64 1HZ LYS 64 12.387 4.857 3.378 579 HZ3 LYS 64 2HZ LYS 64 11.003 3.921 3.138 580 H GLN 65 H GLN 65 12.275 -2.108 1.616 581 HA GLN 65 HA GLN 65 14.408 -0.310 0.893 582 HB2 GLN 65 2HB GLN 65 14.399 -3.285 1.532 583 HB3 GLN 65 3HB GLN 65 15.869 -2.357 1.235 584 HG2 GLN 65 2HG GLN 65 15.399 -0.942 3.174 585 HG3 GLN 65 3HG GLN 65 13.885 -1.797 3.466 586 HE21 GLN 65 1HE2 GLN 65 13.987 -3.958 4.266 587 HE22 GLN 65 2HE2 GLN 65 15.408 -4.570 5.034 588 H GLU 66 H GLU 66 12.603 -2.809 -0.806 589 HA GLU 66 HA GLU 66 14.592 -3.161 -2.897 590 HB2 GLU 66 2HB GLU 66 11.814 -4.342 -2.555 591 HB3 GLU 66 3HB GLU 66 12.874 -4.727 -3.906 592 HG2 GLU 66 2HG GLU 66 13.363 -5.334 -0.972 593 HG3 GLU 66 3HG GLU 66 12.990 -6.494 -2.246 594 H ALA 67 H ALA 67 11.340 -1.725 -2.645 595 HA ALA 67 HA ALA 67 11.416 -0.608 -5.319 596 HB1 ALA 67 3HB ALA 67 9.330 0.532 -4.659 597 HB2 ALA 67 1HB ALA 67 9.554 -0.014 -2.997 598 HB3 ALA 67 2HB ALA 67 9.264 -1.191 -4.280 599 H ASN 68 H ASN 68 12.436 0.281 -2.135 600 HA ASN 68 HA ASN 68 13.585 1.962 -1.208 601 HB2 ASN 68 2HB ASN 68 15.150 1.487 -3.133 602 HB3 ASN 68 3HB ASN 68 14.363 2.773 -4.041 603 HD21 ASN 68 1HD2 ASN 68 16.192 4.066 -4.193 604 HD22 ASN 68 2HD2 ASN 68 16.921 4.848 -2.836 605 H VAL 69 H VAL 69 11.197 2.523 -0.897 606 HA VAL 69 HA VAL 69 10.626 5.303 -1.768 607 HB VAL 69 HB VAL 69 8.203 4.696 -2.075 608 HG11 VAL 69 1HG1 VAL 69 10.068 3.142 -3.910 609 HG12 VAL 69 2HG1 VAL 69 9.705 4.864 -4.035 610 HG13 VAL 69 3HG1 VAL 69 8.429 3.679 -4.293 611 HG21 VAL 69 3HG2 VAL 69 7.552 2.304 -2.325 612 HG22 VAL 69 1HG2 VAL 69 8.115 2.655 -0.689 613 HG23 VAL 69 2HG2 VAL 69 9.171 1.810 -1.825 614 H GLN 70 H GLN 70 8.788 6.258 -0.485 615 HA GLN 70 HA GLN 70 9.202 5.845 2.357 616 HB2 GLN 70 2HB GLN 70 7.363 7.787 0.884 617 HB3 GLN 70 3HB GLN 70 7.715 7.824 2.612 618 HG2 GLN 70 2HG GLN 70 9.691 8.305 0.362 619 HG3 GLN 70 3HG GLN 70 8.987 9.532 1.414 620 HE21 GLN 70 1HE2 GLN 70 11.809 8.762 0.952 621 HE22 GLN 70 2HE2 GLN 70 12.455 8.409 2.514 622 H VAL 71 H VAL 71 8.124 4.275 3.321 623 HA VAL 71 HA VAL 71 5.442 3.441 2.446 624 HB VAL 71 HB VAL 71 7.644 1.963 3.940 625 HG11 VAL 71 1HG1 VAL 71 6.097 0.020 4.181 626 HG12 VAL 71 2HG1 VAL 71 4.768 1.020 3.591 627 HG13 VAL 71 3HG1 VAL 71 5.549 1.410 5.124 628 HG21 VAL 71 3HG2 VAL 71 7.795 1.972 1.466 629 HG22 VAL 71 1HG2 VAL 71 6.152 1.330 1.354 630 HG23 VAL 71 2HG2 VAL 71 7.438 0.349 2.060 631 H TYR 72 H TYR 72 3.785 3.957 3.635 632 HA TYR 72 HA TYR 72 4.060 4.876 6.421 633 HB2 TYR 72 2HB TYR 72 1.843 5.302 4.361 634 HB3 TYR 72 3HB TYR 72 1.765 5.863 6.031 635 HD1 TYR 72 HD2 TYR 72 3.599 6.291 2.804 636 HD2 TYR 72 HD1 TYR 72 2.910 7.866 6.719 637 HE1 TYR 72 HE2 TYR 72 4.807 8.338 2.200 638 HE2 TYR 72 HE1 TYR 72 4.108 9.913 6.113 639 HH TYR 72 HH TYR 72 5.846 10.608 4.494 640 H ARG 73 H ARG 73 3.687 3.320 7.840 641 HA ARG 73 HA ARG 73 2.249 0.884 7.252 642 HB2 ARG 73 2HB ARG 73 4.213 0.840 8.733 643 HB3 ARG 73 3HB ARG 73 3.423 1.949 9.854 644 HG2 ARG 73 2HG ARG 73 1.609 0.154 10.150 645 HG3 ARG 73 3HG ARG 73 2.668 -0.933 9.250 646 HD2 ARG 73 2HD ARG 73 2.936 -1.271 11.646 647 HD3 ARG 73 3HD ARG 73 4.420 -0.612 10.949 648 HE ARG 73 HE ARG 73 2.717 1.464 11.937 649 HH11 ARG 73 1HH1 ARG 73 4.992 -0.960 13.023 650 HH12 ARG 73 2HH1 ARG 73 5.416 -0.083 14.453 651 HH21 ARG 73 1HH2 ARG 73 3.293 2.592 13.820 652 HH22 ARG 73 2HH2 ARG 73 4.460 1.920 14.905 653 H VAL 74 H VAL 74 0.102 0.791 7.329 654 HA VAL 74 HA VAL 74 -1.428 2.394 9.303 655 HB VAL 74 HB VAL 74 -2.141 1.652 6.432 656 HG11 VAL 74 1HG1 VAL 74 -4.344 2.729 6.791 657 HG12 VAL 74 2HG1 VAL 74 -3.973 2.906 8.506 658 HG13 VAL 74 3HG1 VAL 74 -4.150 1.297 7.803 659 HG21 VAL 74 3HG2 VAL 74 -0.736 3.670 6.644 660 HG22 VAL 74 1HG2 VAL 74 -1.884 4.369 7.791 661 HG23 VAL 74 2HG2 VAL 74 -2.360 4.108 6.112 662 H THR 75 H THR 75 -2.584 1.181 10.712 663 HA THR 75 HA THR 75 -3.804 -1.365 9.794 664 HB THR 75 HB THR 75 -3.543 -2.273 12.166 665 HG1 THR 75 HG1 THR 75 -2.064 -1.267 13.525 666 HG21 THR 75 3HG2 THR 75 -1.187 -2.979 11.951 667 HG22 THR 75 1HG2 THR 75 -0.912 -1.737 10.729 668 HG23 THR 75 2HG2 THR 75 -2.010 -3.078 10.394 669 H SER 76 H SER 76 -4.504 1.653 10.423 670 HA SER 76 HA SER 76 -7.154 1.119 11.565 671 HB2 SER 76 2HB SER 76 -6.943 3.059 13.121 672 HB3 SER 76 3HB SER 76 -5.779 1.792 13.507 673 HG SER 76 HG SER 76 -4.404 3.372 13.400 674 H ASN 77 H ASN 77 -8.710 2.705 10.963 675 HA ASN 77 HA ASN 77 -8.380 3.706 8.334 676 HB2 ASN 77 2HB ASN 77 -10.646 4.509 8.454 677 HB3 ASN 77 3HB ASN 77 -10.601 2.993 9.340 678 HD21 ASN 77 1HD2 ASN 77 -10.764 3.073 11.649 679 HD22 ASN 77 2HD2 ASN 77 -11.453 4.446 12.441 680 H ASP 78 H ASP 78 -7.988 5.177 11.494 681 HA ASP 78 HA ASP 78 -8.147 7.915 10.976 682 HB2 ASP 78 2HB ASP 78 -6.225 6.512 12.904 683 HB3 ASP 78 3HB ASP 78 -6.683 8.214 12.968 684 H GLU 79 H GLU 79 -5.347 5.770 10.863 685 HA GLU 79 HA GLU 79 -3.360 7.599 10.013 686 HB2 GLU 79 2HB GLU 79 -3.530 4.559 9.799 687 HB3 GLU 79 3HB GLU 79 -2.061 5.488 9.503 688 HG2 GLU 79 2HG GLU 79 -3.516 5.671 12.153 689 HG3 GLU 79 3HG GLU 79 -2.399 4.352 11.827 690 H LEU 80 H LEU 80 -5.436 5.301 8.331 691 HA LEU 80 HA LEU 80 -4.331 5.411 5.761 692 HB2 LEU 80 2HB LEU 80 -5.886 3.659 6.618 693 HB3 LEU 80 3HB LEU 80 -7.201 4.808 6.602 694 HG LEU 80 HG LEU 80 -7.017 3.024 4.690 695 HD11 LEU 80 1HD1 LEU 80 -8.683 4.784 4.661 696 HD12 LEU 80 2HD1 LEU 80 -8.053 4.457 3.051 697 HD13 LEU 80 3HD1 LEU 80 -7.517 5.892 3.929 698 HD21 LEU 80 3HD2 LEU 80 -4.646 3.440 4.147 699 HD22 LEU 80 1HD2 LEU 80 -5.070 5.064 3.587 700 HD23 LEU 80 2HD2 LEU 80 -5.696 3.643 2.746 701 H GLU 81 H GLU 81 -7.213 7.099 7.041 702 HA GLU 81 HA GLU 81 -7.944 8.515 4.768 703 HB2 GLU 81 2HB GLU 81 -8.354 9.303 7.679 704 HB3 GLU 81 3HB GLU 81 -9.185 10.050 6.314 705 HG2 GLU 81 2HG GLU 81 -10.216 7.845 5.780 706 HG3 GLU 81 3HG GLU 81 -9.434 7.157 7.200 707 H GLN 82 H GLN 82 -5.797 9.438 7.434 708 HA GLN 82 HA GLN 82 -5.459 12.151 6.762 709 HB2 GLN 82 2HB GLN 82 -3.854 10.247 8.482 710 HB3 GLN 82 3HB GLN 82 -3.315 11.905 8.234 711 HG2 GLN 82 2HG GLN 82 -5.999 11.100 9.406 712 HG3 GLN 82 3HG GLN 82 -4.598 11.629 10.337 713 HE21 GLN 82 1HE2 GLN 82 -3.796 13.748 8.496 714 HE22 GLN 82 2HE2 GLN 82 -4.973 14.998 8.651 715 H VAL 83 H VAL 83 -3.330 9.331 6.054 716 HA VAL 83 HA VAL 83 -1.351 10.757 4.612 717 HB VAL 83 HB VAL 83 -2.143 7.837 4.134 718 HG11 VAL 83 1HG1 VAL 83 0.200 7.558 3.333 719 HG12 VAL 83 2HG1 VAL 83 0.483 9.286 3.562 720 HG13 VAL 83 3HG1 VAL 83 -0.676 8.736 2.350 721 HG21 VAL 83 3HG2 VAL 83 -1.640 8.234 6.531 722 HG22 VAL 83 1HG2 VAL 83 -0.088 8.956 6.095 723 HG23 VAL 83 2HG2 VAL 83 -0.388 7.244 5.782 724 H VAL 84 H VAL 84 -4.417 9.347 3.562 725 HA VAL 84 HA VAL 84 -4.033 9.697 0.745 726 HB VAL 84 HB VAL 84 -6.620 9.173 2.287 727 HG11 VAL 84 1HG1 VAL 84 -7.144 10.080 0.095 728 HG12 VAL 84 2HG1 VAL 84 -7.483 8.350 0.073 729 HG13 VAL 84 3HG1 VAL 84 -6.018 8.972 -0.688 730 HG21 VAL 84 3HG2 VAL 84 -4.921 7.361 2.575 731 HG22 VAL 84 1HG2 VAL 84 -4.817 7.188 0.821 732 HG23 VAL 84 2HG2 VAL 84 -6.322 6.802 1.661 733 H LYS 85 H LYS 85 -5.473 11.702 3.276 734 HA LYS 85 HA LYS 85 -6.673 13.618 1.474 735 HB2 LYS 85 2HB LYS 85 -6.162 13.693 4.473 736 HB3 LYS 85 3HB LYS 85 -6.963 14.998 3.601 737 HG2 LYS 85 2HG LYS 85 -8.771 13.464 2.935 738 HG3 LYS 85 3HG LYS 85 -7.967 12.133 3.768 739 HD2 LYS 85 2HD LYS 85 -9.062 14.655 5.089 740 HD3 LYS 85 3HD LYS 85 -9.842 13.072 5.101 741 HE2 LYS 85 2HE LYS 85 -7.887 12.153 6.352 742 HE3 LYS 85 3HE LYS 85 -7.169 13.764 6.380 743 HZ1 LYS 85 3HZ LYS 85 -9.053 14.548 7.650 744 HZ2 LYS 85 1HZ LYS 85 -8.311 13.247 8.437 745 HZ3 LYS 85 2HZ LYS 85 -9.767 13.016 7.605 746 H ASP 86 H ASP 86 -3.669 13.372 3.331 747 HA ASP 86 HA ASP 86 -2.775 16.060 2.868 748 HB2 ASP 86 2HB ASP 86 -1.304 13.609 3.909 749 HB3 ASP 86 3HB ASP 86 -0.557 15.197 3.782 750 H VAL 87 H VAL 87 -2.314 12.967 1.197 751 HA VAL 87 HA VAL 87 0.036 13.638 -0.242 752 HB VAL 87 HB VAL 87 -0.781 11.276 0.062 753 HG11 VAL 87 1HG1 VAL 87 -3.171 11.587 -0.439 754 HG12 VAL 87 2HG1 VAL 87 -2.481 10.312 -1.438 755 HG13 VAL 87 3HG1 VAL 87 -2.792 11.904 -2.134 756 HG21 VAL 87 3HG2 VAL 87 -0.250 12.022 -2.841 757 HG22 VAL 87 1HG2 VAL 87 -0.030 10.424 -2.127 758 HG23 VAL 87 2HG2 VAL 87 0.980 11.771 -1.600 759 H LYS 88 H LYS 88 -3.404 14.170 -0.961 760 HA LYS 88 HA LYS 88 -2.943 15.176 -3.641 761 HB2 LYS 88 2HB LYS 88 -5.417 15.480 -1.887 762 HB3 LYS 88 3HB LYS 88 -5.320 15.826 -3.611 763 HG2 LYS 88 2HG LYS 88 -4.776 13.354 -3.952 764 HG3 LYS 88 3HG LYS 88 -5.204 13.114 -2.252 765 HD2 LYS 88 2HD LYS 88 -7.022 14.221 -4.436 766 HD3 LYS 88 3HD LYS 88 -7.126 12.612 -3.724 767 HE2 LYS 88 2HE LYS 88 -7.827 13.532 -1.593 768 HE3 LYS 88 3HE LYS 88 -7.496 15.176 -2.134 769 HZ1 LYS 88 3HZ LYS 88 -9.862 14.581 -2.167 770 HZ2 LYS 88 1HZ LYS 88 -9.545 13.416 -3.354 771 HZ3 LYS 88 2HZ LYS 88 -9.274 15.054 -3.682 772 H GLY 89 H GLY 89 -3.474 16.516 -0.417 773 HA2 GLY 89 2HA GLY 89 -3.912 19.217 -1.181 774 HA3 GLY 89 3HA GLY 89 -3.548 18.631 0.433 775 H SER 90 H SER 90 -2.594 21.049 -0.720 776 HA SER 90 HA SER 90 0.276 20.633 -1.274 777 HB2 SER 90 2HB SER 90 -1.422 23.152 -1.555 778 HB3 SER 90 3HB SER 90 0.234 22.940 -2.134 779 HG SER 90 HG SER 90 -1.912 21.290 -2.985 780 H GLY 91 H GLY 91 -1.106 20.469 1.446 781 HA2 GLY 91 2HA GLY 91 -0.343 22.683 3.040 782 HA3 GLY 91 3HA GLY 91 -0.690 21.061 3.621 783 H LEU 92 H LEU 92 1.268 19.598 2.343 784 HA LEU 92 HA LEU 92 3.627 20.183 3.896 785 HB2 LEU 92 2HB LEU 92 3.123 18.007 1.809 786 HB3 LEU 92 3HB LEU 92 4.569 18.127 2.796 787 HG LEU 92 HG LEU 92 3.020 17.840 4.850 788 HD11 LEU 92 1HD1 LEU 92 1.034 16.916 2.753 789 HD12 LEU 92 2HD1 LEU 92 0.873 18.328 3.800 790 HD13 LEU 92 3HD1 LEU 92 0.870 16.713 4.503 791 HD21 LEU 92 3HD2 LEU 92 3.274 15.503 2.933 792 HD22 LEU 92 1HD2 LEU 92 2.996 15.397 4.675 793 HD23 LEU 92 2HD2 LEU 92 4.510 16.059 4.063 794 H GLU 93 H GLU 93 5.233 21.485 3.225 795 HA GLU 93 HA GLU 93 5.438 22.594 0.607 796 HB2 GLU 93 2HB GLU 93 7.443 22.584 2.914 797 HB3 GLU 93 3HB GLU 93 7.703 23.455 1.408 798 HG2 GLU 93 2HG GLU 93 6.980 25.032 3.056 799 HG3 GLU 93 3HG GLU 93 5.664 24.824 1.900 800 H HIS 94 H HIS 94 6.490 21.851 -1.136 801 HA HIS 94 HA HIS 94 7.920 19.361 -1.158 802 HB2 HIS 94 2HB HIS 94 7.653 21.520 -3.313 803 HB3 HIS 94 3HB HIS 94 8.438 19.960 -3.555 804 HD1 HIS 94 HD1 HIS 94 6.939 18.283 -4.601 805 HD2 HIS 94 HD2 HIS 94 4.812 21.048 -2.362 806 HE1 HIS 94 HE1 HIS 94 4.530 17.663 -4.879 807 HE2 HIS 94 HE2 HIS 94 3.277 19.253 -3.385 808 H HIS 95 H HIS 95 9.861 19.153 -0.344 809 HA HIS 95 HA HIS 95 11.091 21.267 1.038 810 HB2 HIS 95 2HB HIS 95 12.237 18.488 0.489 811 HB3 HIS 95 3HB HIS 95 12.754 19.589 1.766 812 HD1 HIS 95 HD1 HIS 95 11.402 19.592 3.921 813 HD2 HIS 95 HD2 HIS 95 9.621 17.337 0.924 814 HE1 HIS 95 HE1 HIS 95 9.510 18.374 5.024 815 HE2 HIS 95 HE2 HIS 95 8.574 16.881 3.232 816 H HIS 96 H HIS 96 11.981 19.657 -1.981 817 HA HIS 96 HA HIS 96 14.122 21.587 -2.524 818 HB2 HIS 96 2HB HIS 96 14.302 19.110 -3.182 819 HB3 HIS 96 3HB HIS 96 13.038 19.399 -4.371 820 HD1 HIS 96 HD1 HIS 96 16.637 19.911 -3.695 821 HD2 HIS 96 HD2 HIS 96 13.887 21.030 -6.592 822 HE1 HIS 96 HE1 HIS 96 17.998 20.715 -5.637 823 HE2 HIS 96 HE2 HIS 96 16.312 21.605 -7.271 824 H HIS 97 H HIS 97 13.396 23.550 -3.120 825 HA HIS 97 HA HIS 97 10.678 23.987 -3.980 826 HB2 HIS 97 2HB HIS 97 12.982 25.948 -3.637 827 HB3 HIS 97 3HB HIS 97 11.339 26.422 -4.044 828 HD1 HIS 97 HD1 HIS 97 10.219 27.336 -2.053 829 HD2 HIS 97 HD2 HIS 97 12.757 24.203 -1.051 830 HE1 HIS 97 HE1 HIS 97 10.049 27.090 0.432 831 HE2 HIS 97 HE2 HIS 97 11.633 25.232 1.028 832 H HIS 98 H HIS 98 10.079 25.222 -5.863 833 HA HIS 98 HA HIS 98 11.262 24.096 -8.267 834 HB2 HIS 98 2HB HIS 98 8.758 25.797 -7.850 835 HB3 HIS 98 3HB HIS 98 9.245 25.110 -9.396 836 HD1 HIS 98 HD1 HIS 98 8.240 22.920 -9.922 837 HD2 HIS 98 HD2 HIS 98 8.280 23.646 -5.830 838 HE1 HIS 98 HE1 HIS 98 7.023 20.998 -8.880 839 HE2 HIS 98 HE2 HIS 98 6.977 21.503 -6.419 840 H HIS 99 H HIS 99 12.076 25.233 -10.005 841 HA HIS 99 HA HIS 99 12.093 28.069 -10.247 842 HB2 HIS 99 2HB HIS 99 14.616 28.366 -10.064 843 HB3 HIS 99 3HB HIS 99 13.786 28.128 -8.541 844 HD1 HIS 99 HD1 HIS 99 16.249 26.521 -10.851 845 HD2 HIS 99 HD2 HIS 99 14.508 25.769 -7.159 846 HE1 HIS 99 HE1 HIS 99 17.576 24.638 -9.852 847 HE2 HIS 99 HE2 HIS 99 16.636 24.361 -7.533 Start of MODEL 18 1 H1 MET 1 1H MET 1 3.021 16.144 -9.174 2 H2 MET 1 2H MET 1 4.477 15.921 -8.350 3 H3 MET 1 3H MET 1 3.065 16.263 -7.487 4 HA MET 1 HA MET 1 2.093 14.199 -8.139 5 HB2 MET 1 2HB MET 1 3.120 13.925 -10.333 6 HB3 MET 1 3HB MET 1 4.723 13.799 -9.626 7 HG2 MET 1 2HG MET 1 4.158 11.630 -8.650 8 HG3 MET 1 3HG MET 1 2.496 11.778 -9.214 9 HE1 MET 1 3HE MET 1 5.702 12.834 -11.303 10 HE2 MET 1 1HE MET 1 6.070 11.309 -12.101 11 HE3 MET 1 2HE MET 1 6.265 11.456 -10.352 12 H GLY 2 H GLY 2 2.039 13.059 -6.310 13 HA2 GLY 2 2HA GLY 2 4.464 12.030 -5.010 14 HA3 GLY 2 3HA GLY 2 3.466 13.132 -4.056 15 H ARG 3 H ARG 3 2.773 10.513 -6.366 16 HA ARG 3 HA ARG 3 0.199 10.115 -5.295 17 HB2 ARG 3 2HB ARG 3 -0.064 8.359 -6.962 18 HB3 ARG 3 3HB ARG 3 0.693 9.785 -7.657 19 HG2 ARG 3 2HG ARG 3 2.901 8.650 -7.558 20 HG3 ARG 3 3HG ARG 3 2.115 7.216 -6.886 21 HD2 ARG 3 2HD ARG 3 1.709 8.415 -9.644 22 HD3 ARG 3 3HD ARG 3 2.418 6.845 -9.250 23 HE ARG 3 HE ARG 3 -0.116 6.763 -8.184 24 HH11 ARG 3 1HH1 ARG 3 1.152 7.249 -11.425 25 HH12 ARG 3 2HH1 ARG 3 -0.251 6.594 -12.196 26 HH21 ARG 3 1HH2 ARG 3 -1.974 5.988 -9.214 27 HH22 ARG 3 2HH2 ARG 3 -2.023 5.884 -10.944 28 H LEU 4 H LEU 4 -0.776 8.177 -4.521 29 HA LEU 4 HA LEU 4 0.933 6.735 -2.589 30 HB2 LEU 4 2HB LEU 4 -0.569 8.440 -1.602 31 HB3 LEU 4 3HB LEU 4 -1.957 7.640 -2.318 32 HG LEU 4 HG LEU 4 -1.530 5.629 -0.888 33 HD11 LEU 4 1HD1 LEU 4 0.088 5.714 0.934 34 HD12 LEU 4 2HD1 LEU 4 0.667 7.285 0.384 35 HD13 LEU 4 3HD1 LEU 4 0.893 5.853 -0.625 36 HD21 LEU 4 3HD2 LEU 4 -2.255 6.595 1.246 37 HD22 LEU 4 1HD2 LEU 4 -3.099 7.349 -0.108 38 HD23 LEU 4 2HD2 LEU 4 -1.783 8.207 0.698 39 H VAL 5 H VAL 5 1.076 4.612 -2.955 40 HA VAL 5 HA VAL 5 -1.206 3.080 -4.071 41 HB VAL 5 HB VAL 5 1.696 2.236 -3.563 42 HG11 VAL 5 1HG1 VAL 5 1.112 0.031 -4.557 43 HG12 VAL 5 2HG1 VAL 5 -0.587 0.507 -4.607 44 HG13 VAL 5 3HG1 VAL 5 0.231 0.317 -3.055 45 HG21 VAL 5 3HG2 VAL 5 1.332 3.614 -5.598 46 HG22 VAL 5 1HG2 VAL 5 0.150 2.440 -6.171 47 HG23 VAL 5 2HG2 VAL 5 1.842 1.973 -5.994 48 H VAL 6 H VAL 6 -2.566 2.206 -2.614 49 HA VAL 6 HA VAL 6 -1.693 1.742 0.167 50 HB VAL 6 HB VAL 6 -4.542 1.691 -0.936 51 HG11 VAL 6 1HG1 VAL 6 -5.201 1.894 1.448 52 HG12 VAL 6 2HG1 VAL 6 -3.503 1.835 1.921 53 HG13 VAL 6 3HG1 VAL 6 -4.255 0.431 1.161 54 HG21 VAL 6 3HG2 VAL 6 -3.593 3.941 -1.262 55 HG22 VAL 6 1HG2 VAL 6 -3.104 3.996 0.435 56 HG23 VAL 6 2HG2 VAL 6 -4.817 3.964 0.011 57 H VAL 7 H VAL 7 -0.706 -0.194 0.076 58 HA VAL 7 HA VAL 7 -1.787 -2.517 -1.281 59 HB VAL 7 HB VAL 7 0.558 -2.270 0.646 60 HG11 VAL 7 1HG1 VAL 7 -0.189 -4.589 0.468 61 HG12 VAL 7 2HG1 VAL 7 1.367 -4.391 -0.342 62 HG13 VAL 7 3HG1 VAL 7 -0.115 -4.503 -1.294 63 HG21 VAL 7 3HG2 VAL 7 0.612 -2.197 -2.392 64 HG22 VAL 7 1HG2 VAL 7 2.021 -2.171 -1.327 65 HG23 VAL 7 2HG2 VAL 7 0.886 -0.819 -1.319 66 H VAL 8 H VAL 8 -3.105 -3.977 -0.355 67 HA VAL 8 HA VAL 8 -3.626 -3.966 2.568 68 HB VAL 8 HB VAL 8 -6.017 -4.493 2.022 69 HG11 VAL 8 1HG1 VAL 8 -5.054 -1.861 0.810 70 HG12 VAL 8 2HG1 VAL 8 -5.397 -2.154 2.516 71 HG13 VAL 8 3HG1 VAL 8 -6.706 -2.213 1.337 72 HG21 VAL 8 3HG2 VAL 8 -5.746 -5.470 -0.214 73 HG22 VAL 8 1HG2 VAL 8 -5.222 -3.914 -0.863 74 HG23 VAL 8 2HG2 VAL 8 -6.878 -4.122 -0.286 75 H THR 9 H THR 9 -4.036 -6.040 3.487 76 HA THR 9 HA THR 9 -3.198 -8.368 1.830 77 HB THR 9 HB THR 9 -2.586 -9.371 4.114 78 HG1 THR 9 HG1 THR 9 -2.269 -7.013 5.385 79 HG21 THR 9 3HG2 THR 9 -1.100 -6.820 3.346 80 HG22 THR 9 1HG2 THR 9 -0.836 -8.409 2.620 81 HG23 THR 9 2HG2 THR 9 -0.459 -8.143 4.323 82 H SER 10 H SER 10 -6.018 -7.093 3.017 83 HA SER 10 HA SER 10 -7.306 -9.750 3.163 84 HB2 SER 10 2HB SER 10 -7.794 -7.472 5.142 85 HB3 SER 10 3HB SER 10 -8.722 -8.970 5.072 86 HG SER 10 HG SER 10 -7.040 -10.082 5.843 87 H GLU 11 H GLU 11 -9.428 -9.828 2.418 88 HA GLU 11 HA GLU 11 -10.402 -8.145 0.445 89 HB2 GLU 11 2HB GLU 11 -11.742 -10.186 2.248 90 HB3 GLU 11 3HB GLU 11 -12.721 -9.244 1.134 91 HG2 GLU 11 2HG GLU 11 -10.367 -10.926 0.238 92 HG3 GLU 11 3HG GLU 11 -12.016 -11.543 0.332 93 H GLN 12 H GLN 12 -11.162 -8.149 3.926 94 HA GLN 12 HA GLN 12 -13.142 -6.156 3.943 95 HB2 GLN 12 2HB GLN 12 -11.176 -6.961 6.134 96 HB3 GLN 12 3HB GLN 12 -12.556 -5.899 6.393 97 HG2 GLN 12 2HG GLN 12 -12.713 -8.794 5.489 98 HG3 GLN 12 3HG GLN 12 -13.019 -8.208 7.124 99 HE21 GLN 12 1HE2 GLN 12 -14.274 -8.433 3.883 100 HE22 GLN 12 2HE2 GLN 12 -15.870 -7.877 4.245 101 H LEU 13 H LEU 13 -9.607 -5.903 4.152 102 HA LEU 13 HA LEU 13 -9.487 -3.078 4.559 103 HB2 LEU 13 2HB LEU 13 -7.384 -4.954 3.407 104 HB3 LEU 13 3HB LEU 13 -7.088 -3.320 3.983 105 HG LEU 13 HG LEU 13 -7.949 -5.669 5.719 106 HD11 LEU 13 1HD1 LEU 13 -5.653 -5.938 4.920 107 HD12 LEU 13 2HD1 LEU 13 -5.678 -5.593 6.647 108 HD13 LEU 13 3HD1 LEU 13 -5.236 -4.323 5.502 109 HD21 LEU 13 3HD2 LEU 13 -8.818 -3.570 6.615 110 HD22 LEU 13 1HD2 LEU 13 -7.215 -2.833 6.525 111 HD23 LEU 13 2HD2 LEU 13 -7.515 -4.174 7.634 112 H LYS 14 H LYS 14 -9.497 -5.167 1.705 113 HA LYS 14 HA LYS 14 -8.692 -3.308 -0.261 114 HB2 LYS 14 2HB LYS 14 -8.546 -5.644 -0.749 115 HB3 LYS 14 3HB LYS 14 -10.245 -5.912 -0.373 116 HG2 LYS 14 2HG LYS 14 -10.923 -4.713 -2.405 117 HG3 LYS 14 3HG LYS 14 -9.235 -4.337 -2.775 118 HD2 LYS 14 2HD LYS 14 -8.710 -6.605 -3.258 119 HD3 LYS 14 3HD LYS 14 -10.162 -7.206 -2.462 120 HE2 LYS 14 2HE LYS 14 -10.282 -7.363 -4.932 121 HE3 LYS 14 3HE LYS 14 -11.557 -6.354 -4.259 122 HZ1 LYS 14 3HZ LYS 14 -9.070 -5.425 -5.581 123 HZ2 LYS 14 1HZ LYS 14 -10.228 -4.409 -4.883 124 HZ3 LYS 14 2HZ LYS 14 -10.635 -5.359 -6.215 125 H GLU 15 H GLU 15 -11.978 -4.549 0.427 126 HA GLU 15 HA GLU 15 -13.422 -2.813 -1.220 127 HB2 GLU 15 2HB GLU 15 -15.407 -3.457 0.132 128 HB3 GLU 15 3HB GLU 15 -14.426 -4.852 -0.308 129 HG2 GLU 15 2HG GLU 15 -13.468 -4.965 1.918 130 HG3 GLU 15 3HG GLU 15 -14.259 -3.467 2.389 131 H GLU 16 H GLU 16 -12.227 -2.414 2.083 132 HA GLU 16 HA GLU 16 -13.720 -0.192 2.924 133 HB2 GLU 16 2HB GLU 16 -12.350 -1.597 4.446 134 HB3 GLU 16 3HB GLU 16 -10.880 -1.019 3.676 135 HG2 GLU 16 2HG GLU 16 -11.113 0.134 5.769 136 HG3 GLU 16 3HG GLU 16 -11.434 1.300 4.485 137 H VAL 17 H VAL 17 -10.327 -0.243 1.755 138 HA VAL 17 HA VAL 17 -10.023 2.545 1.685 139 HB VAL 17 HB VAL 17 -8.385 0.463 0.167 140 HG11 VAL 17 1HG1 VAL 17 -7.646 3.324 0.922 141 HG12 VAL 17 2HG1 VAL 17 -8.019 2.758 -0.708 142 HG13 VAL 17 3HG1 VAL 17 -6.589 2.156 0.125 143 HG21 VAL 17 3HG2 VAL 17 -8.446 0.034 2.612 144 HG22 VAL 17 1HG2 VAL 17 -7.898 1.684 2.919 145 HG23 VAL 17 2HG2 VAL 17 -6.836 0.539 2.095 146 H ARG 18 H ARG 18 -11.006 0.276 -0.922 147 HA ARG 18 HA ARG 18 -10.999 2.230 -2.996 148 HB2 ARG 18 2HB ARG 18 -12.637 -0.333 -2.886 149 HB3 ARG 18 3HB ARG 18 -12.347 0.655 -4.320 150 HG2 ARG 18 2HG ARG 18 -9.843 0.207 -3.884 151 HG3 ARG 18 3HG ARG 18 -10.389 -1.067 -2.795 152 HD2 ARG 18 2HD ARG 18 -9.913 -2.063 -4.928 153 HD3 ARG 18 3HD ARG 18 -11.666 -2.047 -4.729 154 HE ARG 18 HE ARG 18 -11.859 -0.467 -6.412 155 HH11 ARG 18 1HH1 ARG 18 -8.442 -1.087 -5.802 156 HH12 ARG 18 2HH1 ARG 18 -7.917 -0.277 -7.244 157 HH21 ARG 18 1HH2 ARG 18 -11.132 0.620 -8.275 158 HH22 ARG 18 2HH2 ARG 18 -9.436 0.683 -8.635 159 H LYS 19 H LYS 19 -13.414 1.337 -0.579 160 HA LYS 19 HA LYS 19 -15.656 2.648 -1.793 161 HB2 LYS 19 2HB LYS 19 -15.918 0.861 -0.082 162 HB3 LYS 19 3HB LYS 19 -15.163 1.890 1.125 163 HG2 LYS 19 2HG LYS 19 -17.570 1.865 1.464 164 HG3 LYS 19 3HG LYS 19 -17.071 3.476 0.952 165 HD2 LYS 19 2HD LYS 19 -19.142 2.853 -0.179 166 HD3 LYS 19 3HD LYS 19 -17.839 2.963 -1.361 167 HE2 LYS 19 2HE LYS 19 -17.633 0.486 -1.332 168 HE3 LYS 19 3HE LYS 19 -18.954 0.401 -0.164 169 HZ1 LYS 19 3HZ LYS 19 -19.689 -0.000 -2.437 170 HZ2 LYS 19 1HZ LYS 19 -19.171 1.544 -2.894 171 HZ3 LYS 19 2HZ LYS 19 -20.425 1.369 -1.777 172 H LYS 20 H LYS 20 -13.143 3.563 0.492 173 HA LYS 20 HA LYS 20 -14.213 6.147 1.175 174 HB2 LYS 20 2HB LYS 20 -11.385 5.057 1.521 175 HB3 LYS 20 3HB LYS 20 -12.074 6.457 2.345 176 HG2 LYS 20 2HG LYS 20 -13.668 4.998 3.531 177 HG3 LYS 20 3HG LYS 20 -13.032 3.594 2.672 178 HD2 LYS 20 2HD LYS 20 -12.044 3.623 4.877 179 HD3 LYS 20 3HD LYS 20 -10.784 4.048 3.710 180 HE2 LYS 20 2HE LYS 20 -10.627 5.497 5.653 181 HE3 LYS 20 3HE LYS 20 -11.125 6.450 4.257 182 HZ1 LYS 20 3HZ LYS 20 -12.411 7.049 6.191 183 HZ2 LYS 20 1HZ LYS 20 -12.892 5.446 6.428 184 HZ3 LYS 20 2HZ LYS 20 -13.427 6.298 5.070 185 H PHE 21 H PHE 21 -11.586 4.949 -0.917 186 HA PHE 21 HA PHE 21 -11.529 7.417 -2.509 187 HB2 PHE 21 2HB PHE 21 -8.889 6.200 -1.598 188 HB3 PHE 21 3HB PHE 21 -9.170 7.765 -2.343 189 HD1 PHE 21 HD1 PHE 21 -10.237 9.631 -0.947 190 HD2 PHE 21 HD2 PHE 21 -8.908 5.939 0.767 191 HE1 PHE 21 HE1 PHE 21 -10.220 10.653 1.298 192 HE2 PHE 21 HE2 PHE 21 -8.904 6.975 2.988 193 HZ PHE 21 HZ PHE 21 -9.541 9.305 3.261 194 HA PRO 22 HA PRO 22 -11.321 3.720 -5.373 195 HB2 PRO 22 2HB PRO 22 -12.569 5.755 -7.198 196 HB3 PRO 22 3HB PRO 22 -13.063 4.081 -6.863 197 HG2 PRO 22 2HG PRO 22 -14.486 6.126 -5.893 198 HG3 PRO 22 3HG PRO 22 -14.229 4.648 -4.936 199 HD2 PRO 22 2HD PRO 22 -12.829 7.310 -4.693 200 HD3 PRO 22 3HD PRO 22 -13.447 6.239 -3.411 201 H GLN 23 H GLN 23 -9.999 6.863 -5.237 202 HA GLN 23 HA GLN 23 -8.870 7.057 -7.873 203 HB2 GLN 23 2HB GLN 23 -7.814 9.129 -7.029 204 HB3 GLN 23 3HB GLN 23 -9.536 9.073 -6.671 205 HG2 GLN 23 2HG GLN 23 -9.108 8.547 -4.336 206 HG3 GLN 23 3HG GLN 23 -7.379 8.379 -4.647 207 HE21 GLN 23 1HE2 GLN 23 -10.024 10.635 -4.346 208 HE22 GLN 23 2HE2 GLN 23 -9.053 12.048 -4.194 209 H VAL 24 H VAL 24 -7.726 5.882 -4.754 210 HA VAL 24 HA VAL 24 -4.891 6.024 -5.506 211 HB VAL 24 HB VAL 24 -4.437 5.147 -3.203 212 HG11 VAL 24 1HG1 VAL 24 -5.147 7.156 -1.952 213 HG12 VAL 24 2HG1 VAL 24 -6.295 7.559 -3.232 214 HG13 VAL 24 3HG1 VAL 24 -4.562 7.578 -3.564 215 HG21 VAL 24 3HG2 VAL 24 -7.464 5.210 -2.834 216 HG22 VAL 24 1HG2 VAL 24 -6.282 4.939 -1.547 217 HG23 VAL 24 2HG2 VAL 24 -6.447 3.769 -2.856 218 H GLU 25 H GLU 25 -3.503 4.170 -5.539 219 HA GLU 25 HA GLU 25 -4.605 1.903 -6.916 220 HB2 GLU 25 2HB GLU 25 -1.783 2.402 -5.855 221 HB3 GLU 25 3HB GLU 25 -2.224 1.088 -6.937 222 HG2 GLU 25 2HG GLU 25 -2.532 4.017 -7.662 223 HG3 GLU 25 3HG GLU 25 -1.073 3.088 -7.993 224 H VAL 26 H VAL 26 -5.882 0.612 -5.595 225 HA VAL 26 HA VAL 26 -4.879 -0.235 -2.953 226 HB VAL 26 HB VAL 26 -7.602 -0.922 -4.177 227 HG11 VAL 26 1HG1 VAL 26 -6.610 -0.978 -1.295 228 HG12 VAL 26 2HG1 VAL 26 -6.885 -2.388 -2.318 229 HG13 VAL 26 3HG1 VAL 26 -8.247 -1.378 -1.828 230 HG21 VAL 26 3HG2 VAL 26 -6.861 1.421 -2.357 231 HG22 VAL 26 1HG2 VAL 26 -8.506 0.973 -2.826 232 HG23 VAL 26 2HG2 VAL 26 -7.363 1.543 -4.044 233 H ARG 27 H ARG 27 -3.649 -2.024 -2.922 234 HA ARG 27 HA ARG 27 -3.892 -3.996 -5.137 235 HB2 ARG 27 2HB ARG 27 -1.366 -3.018 -3.722 236 HB3 ARG 27 3HB ARG 27 -1.420 -4.267 -4.963 237 HG2 ARG 27 2HG ARG 27 -2.107 -1.325 -5.342 238 HG3 ARG 27 3HG ARG 27 -0.680 -2.167 -5.953 239 HD2 ARG 27 2HD ARG 27 -2.209 -3.624 -7.319 240 HD3 ARG 27 3HD ARG 27 -3.560 -2.629 -6.786 241 HE ARG 27 HE ARG 27 -2.561 -0.759 -7.979 242 HH11 ARG 27 1HH1 ARG 27 -1.294 -3.935 -8.803 243 HH12 ARG 27 2HH1 ARG 27 -0.731 -3.434 -10.367 244 HH21 ARG 27 1HH2 ARG 27 -1.872 -0.153 -10.063 245 HH22 ARG 27 2HH2 ARG 27 -1.063 -1.303 -11.071 246 H LEU 28 H LEU 28 -4.762 -5.791 -4.327 247 HA LEU 28 HA LEU 28 -4.519 -6.519 -1.526 248 HB2 LEU 28 2HB LEU 28 -6.701 -6.758 -2.635 249 HB3 LEU 28 3HB LEU 28 -6.008 -7.848 -3.829 250 HG LEU 28 HG LEU 28 -5.506 -9.494 -1.956 251 HD11 LEU 28 1HD1 LEU 28 -5.426 -7.931 -0.085 252 HD12 LEU 28 2HD1 LEU 28 -6.584 -9.222 0.217 253 HD13 LEU 28 3HD1 LEU 28 -7.157 -7.617 -0.249 254 HD21 LEU 28 3HD2 LEU 28 -8.424 -8.759 -2.271 255 HD22 LEU 28 1HD2 LEU 28 -7.797 -10.307 -1.700 256 HD23 LEU 28 2HD2 LEU 28 -7.483 -9.786 -3.354 257 H VAL 29 H VAL 29 -2.907 -7.733 -0.837 258 HA VAL 29 HA VAL 29 -1.246 -9.371 -2.580 259 HB VAL 29 HB VAL 29 -1.030 -8.579 0.369 260 HG11 VAL 29 1HG1 VAL 29 -0.033 -10.834 0.109 261 HG12 VAL 29 2HG1 VAL 29 1.215 -9.621 0.402 262 HG13 VAL 29 3HG1 VAL 29 0.959 -10.246 -1.228 263 HG21 VAL 29 3HG2 VAL 29 0.898 -7.250 -0.408 264 HG22 VAL 29 1HG2 VAL 29 -0.583 -6.776 -1.248 265 HG23 VAL 29 2HG2 VAL 29 0.612 -7.792 -2.064 266 H THR 30 H THR 30 -1.877 -11.364 -2.952 267 HA THR 30 HA THR 30 -3.280 -12.963 -0.882 268 HB THR 30 HB THR 30 -3.963 -14.415 -2.893 269 HG1 THR 30 HG1 THR 30 -3.046 -12.141 -4.356 270 HG21 THR 30 3HG2 THR 30 -5.766 -12.902 -3.629 271 HG22 THR 30 1HG2 THR 30 -4.916 -11.525 -2.924 272 HG23 THR 30 2HG2 THR 30 -5.551 -12.801 -1.880 273 H THR 31 H THR 31 -0.544 -12.933 -3.145 274 HA THR 31 HA THR 31 0.769 -15.027 -1.488 275 HB THR 31 HB THR 31 2.124 -15.681 -3.462 276 HG1 THR 31 HG1 THR 31 0.476 -14.305 -5.261 277 HG21 THR 31 3HG2 THR 31 -0.850 -15.796 -4.109 278 HG22 THR 31 1HG2 THR 31 0.023 -16.945 -3.088 279 HG23 THR 31 2HG2 THR 31 0.395 -16.832 -4.808 280 H GLU 32 H GLU 32 3.173 -14.722 -1.378 281 HA GLU 32 HA GLU 32 3.931 -12.064 -0.726 282 HB2 GLU 32 2HB GLU 32 4.982 -14.032 0.345 283 HB3 GLU 32 3HB GLU 32 5.696 -14.509 -1.193 284 HG2 GLU 32 2HG GLU 32 7.063 -12.460 -1.216 285 HG3 GLU 32 3HG GLU 32 6.326 -11.933 0.297 286 H GLU 33 H GLU 33 4.494 -14.134 -3.566 287 HA GLU 33 HA GLU 33 6.175 -12.413 -5.050 288 HB2 GLU 33 2HB GLU 33 4.280 -14.613 -5.950 289 HB3 GLU 33 3HB GLU 33 5.361 -13.764 -7.055 290 HG2 GLU 33 2HG GLU 33 7.313 -14.549 -5.713 291 HG3 GLU 33 3HG GLU 33 6.204 -15.458 -4.677 292 H ASP 34 H ASP 34 2.699 -12.520 -4.646 293 HA ASP 34 HA ASP 34 1.874 -10.810 -6.744 294 HB2 ASP 34 2HB ASP 34 0.442 -12.338 -5.244 295 HB3 ASP 34 3HB ASP 34 0.564 -11.104 -4.002 296 H ALA 35 H ALA 35 2.786 -10.212 -3.347 297 HA ALA 35 HA ALA 35 2.563 -7.396 -3.279 298 HB1 ALA 35 3HB ALA 35 4.438 -9.190 -1.692 299 HB2 ALA 35 1HB ALA 35 2.788 -8.763 -1.242 300 HB3 ALA 35 2HB ALA 35 4.034 -7.515 -1.300 301 H LYS 36 H LYS 36 5.198 -9.548 -4.242 302 HA LYS 36 HA LYS 36 7.219 -7.574 -4.587 303 HB2 LYS 36 2HB LYS 36 6.953 -10.408 -5.659 304 HB3 LYS 36 3HB LYS 36 8.417 -9.437 -5.805 305 HG2 LYS 36 2HG LYS 36 8.807 -9.459 -3.447 306 HG3 LYS 36 3HG LYS 36 7.174 -10.033 -3.103 307 HD2 LYS 36 2HD LYS 36 8.891 -11.816 -2.805 308 HD3 LYS 36 3HD LYS 36 7.686 -12.228 -4.025 309 HE2 LYS 36 2HE LYS 36 9.299 -11.560 -5.801 310 HE3 LYS 36 3HE LYS 36 10.499 -11.215 -4.555 311 HZ1 LYS 36 3HZ LYS 36 10.470 -13.522 -3.914 312 HZ2 LYS 36 1HZ LYS 36 10.808 -13.390 -5.564 313 HZ3 LYS 36 2HZ LYS 36 9.271 -13.872 -5.048 314 H GLN 37 H GLN 37 4.660 -8.776 -6.699 315 HA GLN 37 HA GLN 37 5.603 -7.507 -9.108 316 HB2 GLN 37 2HB GLN 37 2.774 -8.368 -8.367 317 HB3 GLN 37 3HB GLN 37 3.282 -7.829 -9.968 318 HG2 GLN 37 2HG GLN 37 4.820 -9.767 -10.106 319 HG3 GLN 37 3HG GLN 37 4.243 -10.318 -8.535 320 HE21 GLN 37 1HE2 GLN 37 4.089 -11.681 -11.126 321 HE22 GLN 37 2HE2 GLN 37 2.409 -11.978 -11.398 322 H VAL 38 H VAL 38 3.356 -6.645 -6.486 323 HA VAL 38 HA VAL 38 2.497 -4.131 -7.358 324 HB VAL 38 HB VAL 38 3.008 -5.036 -4.477 325 HG11 VAL 38 1HG1 VAL 38 1.390 -3.265 -3.810 326 HG12 VAL 38 2HG1 VAL 38 1.327 -2.704 -5.481 327 HG13 VAL 38 3HG1 VAL 38 2.833 -2.583 -4.570 328 HG21 VAL 38 3HG2 VAL 38 0.589 -5.569 -4.411 329 HG22 VAL 38 1HG2 VAL 38 1.413 -6.502 -5.665 330 HG23 VAL 38 2HG2 VAL 38 0.437 -5.102 -6.107 331 H ILE 39 H ILE 39 5.457 -5.084 -5.639 332 HA ILE 39 HA ILE 39 6.624 -2.584 -5.161 333 HB ILE 39 HB ILE 39 7.931 -5.272 -5.767 334 HG12 ILE 39 2HG1 ILE 39 7.474 -3.822 -3.117 335 HG13 ILE 39 3HG1 ILE 39 6.544 -5.197 -3.700 336 HG21 ILE 39 1HG2 ILE 39 9.537 -3.467 -6.281 337 HG22 ILE 39 2HG2 ILE 39 10.028 -4.370 -4.851 338 HG23 ILE 39 3HG2 ILE 39 9.284 -2.781 -4.674 339 HD11 ILE 39 3HD1 ILE 39 8.120 -5.917 -2.047 340 HD12 ILE 39 1HD1 ILE 39 9.462 -5.200 -2.939 341 HD13 ILE 39 2HD1 ILE 39 8.588 -6.579 -3.611 342 H LYS 40 H LYS 40 6.889 -4.702 -8.030 343 HA LYS 40 HA LYS 40 8.637 -3.060 -9.553 344 HB2 LYS 40 2HB LYS 40 6.632 -5.150 -10.498 345 HB3 LYS 40 3HB LYS 40 7.916 -4.458 -11.496 346 HG2 LYS 40 2HG LYS 40 9.619 -5.435 -10.034 347 HG3 LYS 40 3HG LYS 40 8.362 -6.073 -8.964 348 HD2 LYS 40 2HD LYS 40 7.496 -7.457 -10.850 349 HD3 LYS 40 3HD LYS 40 8.807 -6.858 -11.873 350 HE2 LYS 40 2HE LYS 40 9.290 -9.101 -10.955 351 HE3 LYS 40 3HE LYS 40 10.459 -7.903 -10.392 352 HZ1 LYS 40 3HZ LYS 40 9.599 -9.454 -8.670 353 HZ2 LYS 40 1HZ LYS 40 8.082 -8.727 -8.819 354 HZ3 LYS 40 2HZ LYS 40 9.409 -7.819 -8.285 355 H GLU 41 H GLU 41 5.157 -3.163 -9.166 356 HA GLU 41 HA GLU 41 4.376 -1.476 -11.313 357 HB2 GLU 41 2HB GLU 41 2.863 -3.016 -9.949 358 HB3 GLU 41 3HB GLU 41 2.976 -1.862 -8.628 359 HG2 GLU 41 2HG GLU 41 0.926 -1.361 -9.660 360 HG3 GLU 41 3HG GLU 41 2.023 -0.121 -10.263 361 H ILE 42 H ILE 42 5.015 -0.902 -7.867 362 HA ILE 42 HA ILE 42 4.623 1.843 -7.653 363 HB ILE 42 HB ILE 42 6.533 0.007 -6.126 364 HG12 ILE 42 2HG1 ILE 42 3.854 1.098 -5.142 365 HG13 ILE 42 3HG1 ILE 42 3.978 -0.425 -6.009 366 HG21 ILE 42 1HG2 ILE 42 7.298 2.330 -5.875 367 HG22 ILE 42 2HG2 ILE 42 6.627 1.728 -4.358 368 HG23 ILE 42 3HG2 ILE 42 5.680 2.816 -5.368 369 HD11 ILE 42 3HD1 ILE 42 3.861 -0.742 -3.595 370 HD12 ILE 42 1HD1 ILE 42 5.345 0.190 -3.386 371 HD13 ILE 42 2HD1 ILE 42 5.379 -1.348 -4.253 372 H GLN 43 H GLN 43 7.564 0.011 -8.513 373 HA GLN 43 HA GLN 43 9.322 2.251 -8.665 374 HB2 GLN 43 2HB GLN 43 9.603 -0.528 -9.875 375 HB3 GLN 43 3HB GLN 43 10.888 0.678 -9.832 376 HG2 GLN 43 2HG GLN 43 10.813 0.634 -7.347 377 HG3 GLN 43 3HG GLN 43 9.578 -0.626 -7.429 378 HE21 GLN 43 1HE2 GLN 43 10.897 -2.120 -6.352 379 HE22 GLN 43 2HE2 GLN 43 12.276 -2.846 -7.088 380 H LYS 44 H LYS 44 7.541 0.382 -11.135 381 HA LYS 44 HA LYS 44 8.643 1.619 -13.419 382 HB2 LYS 44 2HB LYS 44 7.490 -0.548 -13.589 383 HB3 LYS 44 3HB LYS 44 5.967 0.181 -13.087 384 HG2 LYS 44 2HG LYS 44 5.948 -0.176 -15.505 385 HG3 LYS 44 3HG LYS 44 5.946 1.555 -15.155 386 HD2 LYS 44 2HD LYS 44 8.547 1.401 -15.469 387 HD3 LYS 44 3HD LYS 44 8.214 -0.154 -16.238 388 HE2 LYS 44 2HE LYS 44 7.144 2.551 -17.105 389 HE3 LYS 44 3HE LYS 44 8.402 1.620 -17.913 390 HZ1 LYS 44 3HZ LYS 44 5.569 0.783 -17.602 391 HZ2 LYS 44 1HZ LYS 44 6.777 -0.096 -18.396 392 HZ3 LYS 44 2HZ LYS 44 6.268 1.395 -19.011 393 H LYS 45 H LYS 45 5.621 2.271 -11.637 394 HA LYS 45 HA LYS 45 4.775 4.405 -13.385 395 HB2 LYS 45 2HB LYS 45 3.700 3.584 -10.649 396 HB3 LYS 45 3HB LYS 45 2.899 4.653 -11.802 397 HG2 LYS 45 2HG LYS 45 2.862 2.720 -13.444 398 HG3 LYS 45 3HG LYS 45 3.467 1.688 -12.148 399 HD2 LYS 45 2HD LYS 45 1.043 1.441 -12.361 400 HD3 LYS 45 3HD LYS 45 1.435 2.187 -10.810 401 HE2 LYS 45 2HE LYS 45 0.714 4.340 -11.560 402 HE3 LYS 45 3HE LYS 45 0.674 3.823 -13.245 403 HZ1 LYS 45 3HZ LYS 45 -1.162 2.346 -12.702 404 HZ2 LYS 45 1HZ LYS 45 -1.534 3.955 -12.346 405 HZ3 LYS 45 2HZ LYS 45 -1.140 2.884 -11.101 406 H GLY 46 H GLY 46 6.704 4.140 -10.530 407 HA2 GLY 46 2HA GLY 46 8.196 5.695 -9.662 408 HA3 GLY 46 3HA GLY 46 7.546 6.913 -10.753 409 H VAL 47 H VAL 47 6.101 4.883 -8.278 410 HA VAL 47 HA VAL 47 4.445 6.976 -7.223 411 HB VAL 47 HB VAL 47 4.933 4.141 -6.214 412 HG11 VAL 47 1HG1 VAL 47 2.827 4.378 -4.979 413 HG12 VAL 47 2HG1 VAL 47 2.661 6.039 -5.544 414 HG13 VAL 47 3HG1 VAL 47 3.987 5.602 -4.464 415 HG21 VAL 47 3HG2 VAL 47 4.057 4.150 -8.528 416 HG22 VAL 47 1HG2 VAL 47 2.694 5.146 -8.010 417 HG23 VAL 47 2HG2 VAL 47 2.876 3.504 -7.388 418 H GLN 48 H GLN 48 4.871 8.207 -5.460 419 HA GLN 48 HA GLN 48 7.555 8.148 -4.342 420 HB2 GLN 48 2HB GLN 48 5.249 10.119 -4.035 421 HB3 GLN 48 3HB GLN 48 6.792 10.292 -3.208 422 HG2 GLN 48 2HG GLN 48 6.844 11.744 -5.105 423 HG3 GLN 48 3HG GLN 48 7.923 10.390 -5.442 424 HE21 GLN 48 1HE2 GLN 48 7.805 10.853 -7.672 425 HE22 GLN 48 2HE2 GLN 48 6.426 10.420 -8.616 426 H LYS 49 H LYS 49 4.204 7.977 -3.089 427 HA LYS 49 HA LYS 49 5.235 7.027 -0.466 428 HB2 LYS 49 2HB LYS 49 2.596 8.423 -1.108 429 HB3 LYS 49 3HB LYS 49 3.113 7.890 0.493 430 HG2 LYS 49 2HG LYS 49 4.996 9.494 0.414 431 HG3 LYS 49 3HG LYS 49 4.456 10.039 -1.181 432 HD2 LYS 49 2HD LYS 49 2.288 10.762 -0.180 433 HD3 LYS 49 3HD LYS 49 2.859 10.247 1.412 434 HE2 LYS 49 2HE LYS 49 3.082 12.678 1.130 435 HE3 LYS 49 3HE LYS 49 4.669 11.923 1.299 436 HZ1 LYS 49 3HZ LYS 49 4.590 13.595 -0.469 437 HZ2 LYS 49 1HZ LYS 49 3.421 12.690 -1.286 438 HZ3 LYS 49 2HZ LYS 49 4.980 12.067 -1.070 439 H VAL 50 H VAL 50 4.506 5.103 0.304 440 HA VAL 50 HA VAL 50 2.189 3.756 -0.939 441 HB VAL 50 HB VAL 50 4.884 2.430 -0.324 442 HG11 VAL 50 1HG1 VAL 50 2.301 1.123 -1.280 443 HG12 VAL 50 2HG1 VAL 50 3.047 0.906 0.305 444 HG13 VAL 50 3HG1 VAL 50 3.867 0.317 -1.141 445 HG21 VAL 50 3HG2 VAL 50 4.962 1.939 -2.742 446 HG22 VAL 50 1HG2 VAL 50 4.868 3.678 -2.456 447 HG23 VAL 50 2HG2 VAL 50 3.434 2.789 -2.976 448 H VAL 51 H VAL 51 0.744 3.429 0.601 449 HA VAL 51 HA VAL 51 1.451 3.092 3.421 450 HB VAL 51 HB VAL 51 -1.196 3.416 1.934 451 HG11 VAL 51 1HG1 VAL 51 -2.404 3.132 4.092 452 HG12 VAL 51 2HG1 VAL 51 -0.900 2.595 4.845 453 HG13 VAL 51 3HG1 VAL 51 -1.632 1.635 3.558 454 HG21 VAL 51 3HG2 VAL 51 -1.494 5.347 3.436 455 HG22 VAL 51 1HG2 VAL 51 0.040 5.475 2.571 456 HG23 VAL 51 2HG2 VAL 51 0.019 4.962 4.258 457 H LEU 52 H LEU 52 1.573 1.124 4.367 458 HA LEU 52 HA LEU 52 0.656 -1.297 2.918 459 HB2 LEU 52 2HB LEU 52 2.878 -0.940 4.971 460 HB3 LEU 52 3HB LEU 52 2.333 -2.501 4.384 461 HG LEU 52 HG LEU 52 3.700 -0.342 2.723 462 HD11 LEU 52 1HD1 LEU 52 5.549 -1.911 2.537 463 HD12 LEU 52 2HD1 LEU 52 4.694 -3.088 3.538 464 HD13 LEU 52 3HD1 LEU 52 5.221 -1.552 4.230 465 HD21 LEU 52 3HD2 LEU 52 2.086 -1.497 1.338 466 HD22 LEU 52 1HD2 LEU 52 2.720 -3.066 1.841 467 HD23 LEU 52 2HD2 LEU 52 3.721 -1.965 0.884 468 H VAL 53 H VAL 53 -1.389 -1.504 3.679 469 HA VAL 53 HA VAL 53 -2.114 -1.075 6.443 470 HB VAL 53 HB VAL 53 -3.923 -2.125 4.220 471 HG11 VAL 53 1HG1 VAL 53 -5.770 -1.302 5.665 472 HG12 VAL 53 2HG1 VAL 53 -4.599 -0.828 6.897 473 HG13 VAL 53 3HG1 VAL 53 -4.807 -2.533 6.489 474 HG21 VAL 53 3HG2 VAL 53 -3.006 0.065 3.562 475 HG22 VAL 53 1HG2 VAL 53 -3.531 0.760 5.096 476 HG23 VAL 53 2HG2 VAL 53 -4.729 0.186 3.931 477 H GLY 54 H GLY 54 -1.724 -2.588 7.902 478 HA2 GLY 54 2HA GLY 54 -1.945 -4.502 9.118 479 HA3 GLY 54 3HA GLY 54 -3.165 -4.997 7.956 480 H VAL 55 H VAL 55 0.264 -4.380 7.286 481 HA VAL 55 HA VAL 55 0.541 -7.084 6.154 482 HB VAL 55 HB VAL 55 2.575 -6.280 5.069 483 HG11 VAL 55 1HG1 VAL 55 0.478 -5.742 3.917 484 HG12 VAL 55 2HG1 VAL 55 1.676 -4.483 3.624 485 HG13 VAL 55 3HG1 VAL 55 0.365 -4.203 4.775 486 HG21 VAL 55 3HG2 VAL 55 2.243 -3.678 6.625 487 HG22 VAL 55 1HG2 VAL 55 3.437 -3.964 5.352 488 HG23 VAL 55 2HG2 VAL 55 3.512 -4.882 6.856 489 H SER 56 H SER 56 2.541 -8.291 6.569 490 HA SER 56 HA SER 56 3.416 -8.360 9.316 491 HB2 SER 56 2HB SER 56 4.532 -9.793 6.853 492 HB3 SER 56 3HB SER 56 4.837 -10.225 8.542 493 HG SER 56 HG SER 56 3.037 -11.291 8.532 494 H GLU 57 H GLU 57 5.643 -7.963 10.006 495 HA GLU 57 HA GLU 57 6.856 -5.592 9.005 496 HB2 GLU 57 2HB GLU 57 8.016 -7.657 10.927 497 HB3 GLU 57 3HB GLU 57 8.653 -6.034 10.661 498 HG2 GLU 57 2HG GLU 57 5.953 -6.731 11.855 499 HG3 GLU 57 3HG GLU 57 7.358 -6.127 12.726 500 H LYS 58 H LYS 58 7.412 -8.979 8.411 501 HA LYS 58 HA LYS 58 9.920 -8.757 7.060 502 HB2 LYS 58 2HB LYS 58 7.810 -10.952 7.030 503 HB3 LYS 58 3HB LYS 58 9.407 -11.099 6.295 504 HG2 LYS 58 2HG LYS 58 10.483 -10.824 8.482 505 HG3 LYS 58 3HG LYS 58 8.919 -10.574 9.254 506 HD2 LYS 58 2HD LYS 58 9.710 -13.150 7.834 507 HD3 LYS 58 3HD LYS 58 9.935 -12.882 9.561 508 HE2 LYS 58 2HE LYS 58 7.913 -14.114 9.388 509 HE3 LYS 58 3HE LYS 58 7.394 -12.455 9.670 510 HZ1 LYS 58 3HZ LYS 58 6.132 -13.640 7.932 511 HZ2 LYS 58 1HZ LYS 58 7.532 -13.737 6.998 512 HZ3 LYS 58 2HZ LYS 58 6.863 -12.228 7.360 513 H LEU 59 H LEU 59 6.552 -8.445 6.014 514 HA LEU 59 HA LEU 59 7.264 -8.145 3.204 515 HB2 LEU 59 2HB LEU 59 4.674 -7.664 4.730 516 HB3 LEU 59 3HB LEU 59 4.845 -7.258 3.031 517 HG LEU 59 HG LEU 59 5.046 -10.054 4.210 518 HD11 LEU 59 1HD1 LEU 59 2.947 -10.503 3.040 519 HD12 LEU 59 2HD1 LEU 59 2.884 -8.836 2.464 520 HD13 LEU 59 3HD1 LEU 59 2.748 -9.182 4.191 521 HD21 LEU 59 3HD2 LEU 59 5.234 -9.189 1.298 522 HD22 LEU 59 1HD2 LEU 59 5.177 -10.854 1.883 523 HD23 LEU 59 2HD2 LEU 59 6.552 -9.831 2.283 524 H LEU 60 H LEU 60 6.733 -6.120 6.030 525 HA LEU 60 HA LEU 60 6.175 -3.654 4.815 526 HB2 LEU 60 2HB LEU 60 5.806 -4.123 7.202 527 HB3 LEU 60 3HB LEU 60 7.542 -4.237 7.453 528 HG LEU 60 HG LEU 60 7.480 -1.720 6.458 529 HD11 LEU 60 1HD1 LEU 60 5.545 -0.462 7.215 530 HD12 LEU 60 2HD1 LEU 60 4.747 -1.956 7.710 531 HD13 LEU 60 3HD1 LEU 60 5.106 -1.667 6.006 532 HD21 LEU 60 3HD2 LEU 60 6.879 -2.392 9.341 533 HD22 LEU 60 1HD2 LEU 60 7.503 -0.854 8.726 534 HD23 LEU 60 2HD2 LEU 60 8.471 -2.320 8.566 535 H GLN 61 H GLN 61 9.241 -4.758 6.248 536 HA GLN 61 HA GLN 61 10.829 -2.570 5.357 537 HB2 GLN 61 2HB GLN 61 11.686 -5.324 6.351 538 HB3 GLN 61 3HB GLN 61 12.741 -3.918 6.211 539 HG2 GLN 61 2HG GLN 61 11.425 -2.737 7.925 540 HG3 GLN 61 3HG GLN 61 10.327 -4.117 8.044 541 HE21 GLN 61 1HE2 GLN 61 10.785 -4.403 10.249 542 HE22 GLN 61 2HE2 GLN 61 12.288 -5.045 10.806 543 H LYS 62 H LYS 62 9.768 -5.472 3.871 544 HA LYS 62 HA LYS 62 11.917 -5.814 1.990 545 HB2 LYS 62 2HB LYS 62 10.510 -7.707 2.746 546 HB3 LYS 62 3HB LYS 62 9.102 -6.980 1.979 547 HG2 LYS 62 2HG LYS 62 9.978 -7.373 -0.222 548 HG3 LYS 62 3HG LYS 62 11.580 -7.767 0.415 549 HD2 LYS 62 2HD LYS 62 10.664 -9.813 1.482 550 HD3 LYS 62 3HD LYS 62 9.056 -9.429 0.861 551 HE2 LYS 62 2HE LYS 62 9.760 -9.795 -1.406 552 HE3 LYS 62 3HE LYS 62 11.459 -9.863 -0.938 553 HZ1 LYS 62 3HZ LYS 62 9.380 -11.849 -0.195 554 HZ2 LYS 62 1HZ LYS 62 10.998 -11.892 0.285 555 HZ3 LYS 62 2HZ LYS 62 10.600 -12.060 -1.346 556 H ILE 63 H ILE 63 8.534 -4.631 1.720 557 HA ILE 63 HA ILE 63 8.653 -3.676 -0.924 558 HB ILE 63 HB ILE 63 6.841 -3.067 1.433 559 HG12 ILE 63 2HG1 ILE 63 5.036 -3.912 -0.087 560 HG13 ILE 63 3HG1 ILE 63 6.208 -4.086 -1.383 561 HG21 ILE 63 1HG2 ILE 63 7.074 -0.847 0.425 562 HG22 ILE 63 2HG2 ILE 63 5.465 -1.489 0.088 563 HG23 ILE 63 3HG2 ILE 63 6.704 -1.504 -1.169 564 HD11 ILE 63 3HD1 ILE 63 5.662 -6.225 -0.441 565 HD12 ILE 63 1HD1 ILE 63 6.099 -5.669 1.174 566 HD13 ILE 63 2HD1 ILE 63 7.342 -5.839 -0.067 567 H LYS 64 H LYS 64 9.594 -2.231 2.159 568 HA LYS 64 HA LYS 64 10.071 0.417 1.367 569 HB2 LYS 64 2HB LYS 64 9.960 -0.200 3.716 570 HB3 LYS 64 3HB LYS 64 11.326 -1.294 3.548 571 HG2 LYS 64 2HG LYS 64 11.972 0.754 4.721 572 HG3 LYS 64 3HG LYS 64 12.839 0.597 3.190 573 HD2 LYS 64 2HD LYS 64 11.231 2.203 2.148 574 HD3 LYS 64 3HD LYS 64 10.428 2.387 3.712 575 HE2 LYS 64 2HE LYS 64 12.481 3.319 4.675 576 HE3 LYS 64 3HE LYS 64 13.335 3.060 3.152 577 HZ1 LYS 64 3HZ LYS 64 11.043 4.883 3.594 578 HZ2 LYS 64 1HZ LYS 64 11.767 4.587 2.096 579 HZ3 LYS 64 2HZ LYS 64 12.653 5.323 3.330 580 H GLN 65 H GLN 65 12.478 -2.209 1.811 581 HA GLN 65 HA GLN 65 14.745 -0.906 0.806 582 HB2 GLN 65 2HB GLN 65 14.104 -3.884 0.794 583 HB3 GLN 65 3HB GLN 65 15.697 -3.230 0.417 584 HG2 GLN 65 2HG GLN 65 15.870 -2.302 2.685 585 HG3 GLN 65 3HG GLN 65 14.258 -2.912 3.067 586 HE21 GLN 65 1HE2 GLN 65 14.961 -4.250 4.728 587 HE22 GLN 65 2HE2 GLN 65 15.925 -5.659 4.468 588 H GLU 66 H GLU 66 12.341 -2.837 -0.933 589 HA GLU 66 HA GLU 66 13.897 -2.967 -3.366 590 HB2 GLU 66 2HB GLU 66 11.073 -3.911 -2.747 591 HB3 GLU 66 3HB GLU 66 11.939 -4.242 -4.244 592 HG2 GLU 66 2HG GLU 66 12.751 -5.178 -1.477 593 HG3 GLU 66 3HG GLU 66 11.995 -6.166 -2.725 594 H ALA 67 H ALA 67 10.772 -1.407 -2.474 595 HA ALA 67 HA ALA 67 10.420 -0.222 -5.080 596 HB1 ALA 67 3HB ALA 67 8.446 0.848 -4.109 597 HB2 ALA 67 1HB ALA 67 8.940 0.333 -2.492 598 HB3 ALA 67 2HB ALA 67 8.492 -0.868 -3.707 599 H ASN 68 H ASN 68 11.934 0.808 -2.084 600 HA ASN 68 HA ASN 68 13.208 2.590 -1.463 601 HB2 ASN 68 2HB ASN 68 13.255 3.235 -4.453 602 HB3 ASN 68 3HB ASN 68 14.213 4.092 -3.259 603 HD21 ASN 68 1HD2 ASN 68 13.649 0.593 -3.512 604 HD22 ASN 68 2HD2 ASN 68 15.301 0.195 -3.779 605 H VAL 69 H VAL 69 10.687 2.964 -0.815 606 HA VAL 69 HA VAL 69 9.894 5.708 -1.653 607 HB VAL 69 HB VAL 69 7.495 4.976 -1.606 608 HG11 VAL 69 1HG1 VAL 69 8.688 5.106 -3.759 609 HG12 VAL 69 2HG1 VAL 69 7.474 3.828 -3.772 610 HG13 VAL 69 3HG1 VAL 69 9.183 3.418 -3.598 611 HG21 VAL 69 3HG2 VAL 69 6.948 2.541 -1.654 612 HG22 VAL 69 1HG2 VAL 69 7.688 3.023 -0.125 613 HG23 VAL 69 2HG2 VAL 69 8.641 2.162 -1.334 614 H GLN 70 H GLN 70 8.156 6.612 -0.189 615 HA GLN 70 HA GLN 70 8.878 6.346 2.606 616 HB2 GLN 70 2HB GLN 70 6.606 7.958 1.323 617 HB3 GLN 70 3HB GLN 70 7.126 8.079 2.998 618 HG2 GLN 70 2HG GLN 70 8.005 9.985 1.885 619 HG3 GLN 70 3HG GLN 70 9.368 8.903 2.150 620 HE21 GLN 70 1HE2 GLN 70 7.171 10.202 -0.260 621 HE22 GLN 70 2HE2 GLN 70 8.142 9.816 -1.635 622 H VAL 71 H VAL 71 8.072 4.645 3.706 623 HA VAL 71 HA VAL 71 5.538 3.389 2.871 624 HB VAL 71 HB VAL 71 7.886 2.281 4.477 625 HG11 VAL 71 1HG1 VAL 71 5.808 1.377 5.446 626 HG12 VAL 71 2HG1 VAL 71 6.656 0.120 4.545 627 HG13 VAL 71 3HG1 VAL 71 5.243 0.910 3.840 628 HG21 VAL 71 3HG2 VAL 71 8.251 2.395 2.036 629 HG22 VAL 71 1HG2 VAL 71 6.748 1.510 1.758 630 HG23 VAL 71 2HG2 VAL 71 8.104 0.715 2.563 631 H TYR 72 H TYR 72 3.802 3.791 4.033 632 HA TYR 72 HA TYR 72 3.989 4.667 6.862 633 HB2 TYR 72 2HB TYR 72 1.742 5.101 4.833 634 HB3 TYR 72 3HB TYR 72 1.786 5.739 6.469 635 HD1 TYR 72 HD2 TYR 72 3.194 6.088 3.055 636 HD2 TYR 72 HD1 TYR 72 3.137 7.722 7.012 637 HE1 TYR 72 HE2 TYR 72 4.265 8.136 2.226 638 HE2 TYR 72 HE1 TYR 72 4.201 9.775 6.174 639 HH TYR 72 HH TYR 72 5.620 10.474 4.256 640 H ARG 73 H ARG 73 3.683 2.860 8.114 641 HA ARG 73 HA ARG 73 2.056 0.612 7.227 642 HB2 ARG 73 2HB ARG 73 4.137 0.197 8.501 643 HB3 ARG 73 3HB ARG 73 3.481 1.064 9.884 644 HG2 ARG 73 2HG ARG 73 1.725 -0.621 10.160 645 HG3 ARG 73 3HG ARG 73 2.262 -1.456 8.701 646 HD2 ARG 73 2HD ARG 73 3.023 -2.603 10.728 647 HD3 ARG 73 3HD ARG 73 4.385 -2.012 9.777 648 HE ARG 73 HE ARG 73 4.444 -0.088 11.402 649 HH11 ARG 73 1HH1 ARG 73 3.215 -3.231 12.391 650 HH12 ARG 73 2HH1 ARG 73 3.597 -2.992 14.066 651 HH21 ARG 73 1HH2 ARG 73 4.931 0.221 13.594 652 HH22 ARG 73 2HH2 ARG 73 4.574 -1.028 14.745 653 H VAL 74 H VAL 74 -0.053 0.811 7.355 654 HA VAL 74 HA VAL 74 -1.355 2.329 9.547 655 HB VAL 74 HB VAL 74 -2.116 1.885 6.622 656 HG11 VAL 74 1HG1 VAL 74 -4.173 1.573 7.908 657 HG12 VAL 74 2HG1 VAL 74 -4.223 3.111 7.051 658 HG13 VAL 74 3HG1 VAL 74 -3.881 3.078 8.780 659 HG21 VAL 74 3HG2 VAL 74 -2.117 4.367 6.527 660 HG22 VAL 74 1HG2 VAL 74 -0.546 3.745 7.047 661 HG23 VAL 74 2HG2 VAL 74 -1.662 4.435 8.229 662 H THR 75 H THR 75 -2.836 1.262 10.801 663 HA THR 75 HA THR 75 -3.853 -1.407 9.948 664 HB THR 75 HB THR 75 -4.008 -1.977 12.397 665 HG1 THR 75 HG1 THR 75 -2.725 0.555 12.633 666 HG21 THR 75 3HG2 THR 75 -1.181 -1.311 11.464 667 HG22 THR 75 1HG2 THR 75 -2.067 -2.799 11.093 668 HG23 THR 75 2HG2 THR 75 -1.610 -2.433 12.755 669 H SER 76 H SER 76 -4.625 1.784 10.781 670 HA SER 76 HA SER 76 -7.508 1.126 10.949 671 HB2 SER 76 2HB SER 76 -6.720 1.836 13.203 672 HB3 SER 76 3HB SER 76 -6.051 3.317 12.513 673 HG SER 76 HG SER 76 -8.525 2.875 13.342 674 H ASN 77 H ASN 77 -8.796 2.414 9.730 675 HA ASN 77 HA ASN 77 -7.755 3.444 7.353 676 HB2 ASN 77 2HB ASN 77 -10.028 4.009 6.740 677 HB3 ASN 77 3HB ASN 77 -10.062 2.489 7.613 678 HD21 ASN 77 1HD2 ASN 77 -9.923 3.623 10.293 679 HD22 ASN 77 2HD2 ASN 77 -11.428 4.411 10.571 680 H ASP 78 H ASP 78 -8.364 5.081 10.371 681 HA ASP 78 HA ASP 78 -8.679 7.753 9.573 682 HB2 ASP 78 2HB ASP 78 -7.352 6.646 12.101 683 HB3 ASP 78 3HB ASP 78 -7.842 8.324 11.881 684 H GLU 79 H GLU 79 -5.752 5.881 10.276 685 HA GLU 79 HA GLU 79 -3.788 7.910 10.018 686 HB2 GLU 79 2HB GLU 79 -3.434 4.929 9.474 687 HB3 GLU 79 3HB GLU 79 -2.176 6.078 9.933 688 HG2 GLU 79 2HG GLU 79 -3.123 6.323 12.152 689 HG3 GLU 79 3HG GLU 79 -4.514 5.325 11.715 690 H LEU 80 H LEU 80 -5.153 5.573 7.797 691 HA LEU 80 HA LEU 80 -3.635 6.024 5.490 692 HB2 LEU 80 2HB LEU 80 -5.098 4.069 5.890 693 HB3 LEU 80 3HB LEU 80 -6.517 5.080 5.837 694 HG LEU 80 HG LEU 80 -5.881 3.545 3.784 695 HD11 LEU 80 1HD1 LEU 80 -6.990 4.999 2.209 696 HD12 LEU 80 2HD1 LEU 80 -6.786 6.367 3.307 697 HD13 LEU 80 3HD1 LEU 80 -7.800 5.002 3.777 698 HD21 LEU 80 3HD2 LEU 80 -4.182 5.967 3.119 699 HD22 LEU 80 1HD2 LEU 80 -4.530 4.603 2.054 700 HD23 LEU 80 2HD2 LEU 80 -3.570 4.358 3.507 701 H GLU 81 H GLU 81 -6.710 7.472 6.600 702 HA GLU 81 HA GLU 81 -7.228 9.161 4.411 703 HB2 GLU 81 2HB GLU 81 -8.035 9.398 7.337 704 HB3 GLU 81 3HB GLU 81 -8.699 10.412 6.053 705 HG2 GLU 81 2HG GLU 81 -9.655 8.466 4.951 706 HG3 GLU 81 3HG GLU 81 -8.902 7.390 6.122 707 H GLN 82 H GLN 82 -5.222 9.636 7.296 708 HA GLN 82 HA GLN 82 -4.686 12.398 7.037 709 HB2 GLN 82 2HB GLN 82 -2.940 10.188 8.223 710 HB3 GLN 82 3HB GLN 82 -2.608 11.907 8.403 711 HG2 GLN 82 2HG GLN 82 -5.113 10.528 9.419 712 HG3 GLN 82 3HG GLN 82 -3.691 10.872 10.398 713 HE21 GLN 82 1HE2 GLN 82 -6.476 12.248 8.807 714 HE22 GLN 82 2HE2 GLN 82 -6.386 13.802 9.554 715 H VAL 83 H VAL 83 -2.932 9.532 5.829 716 HA VAL 83 HA VAL 83 -0.856 10.962 4.482 717 HB VAL 83 HB VAL 83 -1.799 8.117 3.865 718 HG11 VAL 83 1HG1 VAL 83 0.529 7.752 3.074 719 HG12 VAL 83 2HG1 VAL 83 0.908 9.444 3.396 720 HG13 VAL 83 3HG1 VAL 83 -0.270 9.029 2.149 721 HG21 VAL 83 3HG2 VAL 83 -1.328 8.359 6.282 722 HG22 VAL 83 1HG2 VAL 83 0.267 9.019 5.920 723 HG23 VAL 83 2HG2 VAL 83 -0.109 7.342 5.510 724 H VAL 84 H VAL 84 -4.064 9.862 3.469 725 HA VAL 84 HA VAL 84 -3.723 10.260 0.666 726 HB VAL 84 HB VAL 84 -6.333 10.061 2.239 727 HG11 VAL 84 1HG1 VAL 84 -5.853 9.904 -0.769 728 HG12 VAL 84 2HG1 VAL 84 -6.741 11.169 0.081 729 HG13 VAL 84 3HG1 VAL 84 -7.381 9.528 0.029 730 HG21 VAL 84 3HG2 VAL 84 -4.871 7.947 0.610 731 HG22 VAL 84 1HG2 VAL 84 -6.399 7.726 1.466 732 HG23 VAL 84 2HG2 VAL 84 -4.912 8.022 2.369 733 H LYS 85 H LYS 85 -4.763 12.399 3.282 734 HA LYS 85 HA LYS 85 -5.753 14.535 1.712 735 HB2 LYS 85 2HB LYS 85 -4.453 14.492 4.458 736 HB3 LYS 85 3HB LYS 85 -5.082 15.979 3.743 737 HG2 LYS 85 2HG LYS 85 -7.317 15.100 3.676 738 HG3 LYS 85 3HG LYS 85 -6.763 13.491 4.149 739 HD2 LYS 85 2HD LYS 85 -6.097 14.369 6.364 740 HD3 LYS 85 3HD LYS 85 -6.641 15.986 5.891 741 HE2 LYS 85 2HE LYS 85 -8.312 14.761 7.286 742 HE3 LYS 85 3HE LYS 85 -8.940 15.201 5.696 743 HZ1 LYS 85 3HZ LYS 85 -9.555 12.958 6.222 744 HZ2 LYS 85 1HZ LYS 85 -7.949 12.519 6.515 745 HZ3 LYS 85 2HZ LYS 85 -8.444 12.923 4.950 746 H ASP 86 H ASP 86 -2.462 13.724 2.748 747 HA ASP 86 HA ASP 86 -1.260 16.184 1.924 748 HB2 ASP 86 2HB ASP 86 -0.324 14.723 3.736 749 HB3 ASP 86 3HB ASP 86 0.097 13.518 2.525 750 H VAL 87 H VAL 87 -1.654 12.974 0.382 751 HA VAL 87 HA VAL 87 -0.045 13.623 -1.908 752 HB VAL 87 HB VAL 87 -0.281 11.272 -1.488 753 HG11 VAL 87 1HG1 VAL 87 -2.403 10.029 -1.609 754 HG12 VAL 87 2HG1 VAL 87 -3.280 11.549 -1.813 755 HG13 VAL 87 3HG1 VAL 87 -2.420 11.223 -0.308 756 HG21 VAL 87 3HG2 VAL 87 -0.127 11.888 -3.869 757 HG22 VAL 87 1HG2 VAL 87 -1.887 11.925 -3.983 758 HG23 VAL 87 2HG2 VAL 87 -1.054 10.399 -3.660 759 H LYS 88 H LYS 88 -3.576 13.733 -1.277 760 HA LYS 88 HA LYS 88 -4.373 14.616 -3.858 761 HB2 LYS 88 2HB LYS 88 -5.682 14.929 -1.132 762 HB3 LYS 88 3HB LYS 88 -6.455 15.455 -2.625 763 HG2 LYS 88 2HG LYS 88 -6.479 13.161 -3.475 764 HG3 LYS 88 3HG LYS 88 -5.586 12.600 -2.061 765 HD2 LYS 88 2HD LYS 88 -7.869 11.990 -1.707 766 HD3 LYS 88 3HD LYS 88 -7.547 13.344 -0.630 767 HE2 LYS 88 2HE LYS 88 -8.944 13.601 -3.315 768 HE3 LYS 88 3HE LYS 88 -9.786 13.399 -1.784 769 HZ1 LYS 88 3HZ LYS 88 -9.740 15.694 -2.412 770 HZ2 LYS 88 1HZ LYS 88 -8.056 15.687 -2.541 771 HZ3 LYS 88 2HZ LYS 88 -8.787 15.486 -1.033 772 H GLY 89 H GLY 89 -2.916 16.300 -1.190 773 HA2 GLY 89 2HA GLY 89 -2.099 18.483 -2.748 774 HA3 GLY 89 3HA GLY 89 -3.537 18.979 -1.857 775 H SER 90 H SER 90 -0.232 18.965 -1.718 776 HA SER 90 HA SER 90 0.059 18.386 1.128 777 HB2 SER 90 2HB SER 90 1.790 17.673 -0.545 778 HB3 SER 90 3HB SER 90 2.166 19.370 -0.848 779 HG SER 90 HG SER 90 2.323 18.098 1.696 780 H GLY 91 H GLY 91 -1.667 20.256 1.266 781 HA2 GLY 91 2HA GLY 91 -0.690 22.954 1.409 782 HA3 GLY 91 3HA GLY 91 -2.191 22.338 2.095 783 H LEU 92 H LEU 92 -0.570 20.194 3.495 784 HA LEU 92 HA LEU 92 -0.197 21.469 6.020 785 HB2 LEU 92 2HB LEU 92 0.652 18.685 5.078 786 HB3 LEU 92 3HB LEU 92 0.757 19.244 6.736 787 HG LEU 92 HG LEU 92 -1.171 17.875 6.655 788 HD11 LEU 92 1HD1 LEU 92 -1.503 19.940 7.936 789 HD12 LEU 92 2HD1 LEU 92 -3.015 19.339 7.263 790 HD13 LEU 92 3HD1 LEU 92 -2.208 20.722 6.518 791 HD21 LEU 92 3HD2 LEU 92 -3.022 18.083 5.047 792 HD22 LEU 92 1HD2 LEU 92 -1.497 17.726 4.233 793 HD23 LEU 92 2HD2 LEU 92 -2.154 19.363 4.195 794 H GLU 93 H GLU 93 1.779 21.487 7.259 795 HA GLU 93 HA GLU 93 3.937 21.835 7.754 796 HB2 GLU 93 2HB GLU 93 4.416 19.723 6.525 797 HB3 GLU 93 3HB GLU 93 4.580 20.636 5.030 798 HG2 GLU 93 2HG GLU 93 6.511 21.884 6.114 799 HG3 GLU 93 3HG GLU 93 6.404 20.744 7.455 800 H HIS 94 H HIS 94 4.394 23.935 7.918 801 HA HIS 94 HA HIS 94 4.671 25.661 5.504 802 HB2 HIS 94 2HB HIS 94 4.195 26.465 8.417 803 HB3 HIS 94 3HB HIS 94 4.273 27.568 7.046 804 HD1 HIS 94 HD1 HIS 94 1.804 27.231 8.992 805 HD2 HIS 94 HD2 HIS 94 2.148 25.560 5.200 806 HE1 HIS 94 HE1 HIS 94 -0.548 26.850 8.197 807 HE2 HIS 94 HE2 HIS 94 -0.304 25.965 5.863 808 H HIS 95 H HIS 95 6.712 23.802 6.477 809 HA HIS 95 HA HIS 95 8.698 25.117 8.044 810 HB2 HIS 95 2HB HIS 95 8.438 22.625 7.865 811 HB3 HIS 95 3HB HIS 95 9.001 22.701 6.197 812 HD1 HIS 95 HD1 HIS 95 10.205 23.230 9.748 813 HD2 HIS 95 HD2 HIS 95 11.774 22.707 5.939 814 HE1 HIS 95 HE1 HIS 95 12.674 22.918 10.068 815 HE2 HIS 95 HE2 HIS 95 13.573 22.488 7.758 816 H HIS 96 H HIS 96 7.948 25.117 4.680 817 HA HIS 96 HA HIS 96 10.432 26.597 3.979 818 HB2 HIS 96 2HB HIS 96 10.234 24.390 2.842 819 HB3 HIS 96 3HB HIS 96 8.656 24.837 2.214 820 HD1 HIS 96 HD1 HIS 96 8.616 25.992 -0.006 821 HD2 HIS 96 HD2 HIS 96 12.414 25.992 1.677 822 HE1 HIS 96 HE1 HIS 96 10.142 26.890 -1.778 823 HE2 HIS 96 HE2 HIS 96 12.388 27.039 -0.668 824 H HIS 97 H HIS 97 10.168 28.374 2.501 825 HA HIS 97 HA HIS 97 7.954 30.069 2.809 826 HB2 HIS 97 2HB HIS 97 10.194 30.065 0.740 827 HB3 HIS 97 3HB HIS 97 8.968 31.327 0.803 828 HD1 HIS 97 HD1 HIS 97 12.153 30.304 2.301 829 HD2 HIS 97 HD2 HIS 97 9.047 32.890 3.245 830 HE1 HIS 97 HE1 HIS 97 13.074 31.850 4.042 831 HE2 HIS 97 HE2 HIS 97 11.182 33.414 4.591 832 H HIS 98 H HIS 98 6.093 30.240 1.774 833 HA HIS 98 HA HIS 98 5.499 28.646 -0.661 834 HB2 HIS 98 2HB HIS 98 3.249 28.126 0.349 835 HB3 HIS 98 3HB HIS 98 4.580 27.429 1.272 836 HD1 HIS 98 HD1 HIS 98 1.964 30.147 1.456 837 HD2 HIS 98 HD2 HIS 98 4.840 28.393 3.895 838 HE1 HIS 98 HE1 HIS 98 1.538 31.040 3.761 839 HE2 HIS 98 HE2 HIS 98 3.419 30.131 5.160 840 H HIS 99 H HIS 99 3.337 29.412 -1.604 841 HA HIS 99 HA HIS 99 3.302 32.281 -1.940 842 HB2 HIS 99 2HB HIS 99 2.933 30.688 -3.846 843 HB3 HIS 99 3HB HIS 99 1.442 30.139 -3.089 844 HD1 HIS 99 HD1 HIS 99 2.893 32.922 -5.107 845 HD2 HIS 99 HD2 HIS 99 -0.720 31.990 -3.277 846 HE1 HIS 99 HE1 HIS 99 1.207 34.503 -6.078 847 HE2 HIS 99 HE2 HIS 99 -0.990 33.778 -5.102 Start of MODEL 19 1 H1 MET 1 1H MET 1 5.361 14.261 -9.812 2 H2 MET 1 2H MET 1 4.498 14.390 -8.362 3 H3 MET 1 3H MET 1 4.240 13.071 -9.378 4 HA MET 1 HA MET 1 6.459 12.282 -9.020 5 HB2 MET 1 2HB MET 1 7.590 14.421 -8.647 6 HB3 MET 1 3HB MET 1 6.642 14.713 -7.200 7 HG2 MET 1 2HG MET 1 7.779 12.861 -6.059 8 HG3 MET 1 3HG MET 1 8.722 12.535 -7.519 9 HE1 MET 1 3HE MET 1 11.297 14.120 -4.947 10 HE2 MET 1 1HE MET 1 10.909 12.691 -5.907 11 HE3 MET 1 2HE MET 1 9.902 13.128 -4.524 12 H GLY 2 H GLY 2 4.339 13.773 -6.581 13 HA2 GLY 2 2HA GLY 2 4.551 11.632 -4.669 14 HA3 GLY 2 3HA GLY 2 3.444 12.999 -4.620 15 H ARG 3 H ARG 3 3.978 9.862 -6.202 16 HA ARG 3 HA ARG 3 1.095 9.509 -6.666 17 HB2 ARG 3 2HB ARG 3 2.729 8.800 -8.404 18 HB3 ARG 3 3HB ARG 3 3.447 7.673 -7.271 19 HG2 ARG 3 2HG ARG 3 1.993 6.504 -8.847 20 HG3 ARG 3 3HG ARG 3 1.356 6.364 -7.207 21 HD2 ARG 3 2HD ARG 3 -0.377 7.973 -7.663 22 HD3 ARG 3 3HD ARG 3 0.369 8.435 -9.198 23 HE ARG 3 HE ARG 3 -0.851 5.783 -8.677 24 HH11 ARG 3 1HH1 ARG 3 -0.245 8.470 -10.860 25 HH12 ARG 3 2HH1 ARG 3 -1.116 7.757 -12.181 26 HH21 ARG 3 1HH2 ARG 3 -1.975 4.850 -10.418 27 HH22 ARG 3 2HH2 ARG 3 -2.101 5.699 -11.923 28 H LEU 4 H LEU 4 -0.187 8.231 -5.375 29 HA LEU 4 HA LEU 4 1.030 6.760 -3.107 30 HB2 LEU 4 2HB LEU 4 -0.515 8.596 -2.502 31 HB3 LEU 4 3HB LEU 4 -1.785 7.855 -3.457 32 HG LEU 4 HG LEU 4 -1.847 5.918 -1.895 33 HD11 LEU 4 1HD1 LEU 4 -0.613 5.974 0.226 34 HD12 LEU 4 2HD1 LEU 4 0.257 7.415 -0.310 35 HD13 LEU 4 3HD1 LEU 4 0.467 5.881 -1.161 36 HD21 LEU 4 3HD2 LEU 4 -2.109 8.590 -0.486 37 HD22 LEU 4 1HD2 LEU 4 -2.836 7.063 0.031 38 HD23 LEU 4 2HD2 LEU 4 -3.340 7.808 -1.484 39 H VAL 5 H VAL 5 0.864 4.626 -3.076 40 HA VAL 5 HA VAL 5 -1.459 3.277 -4.322 41 HB VAL 5 HB VAL 5 1.407 2.210 -4.178 42 HG11 VAL 5 1HG1 VAL 5 -1.110 0.714 -5.027 43 HG12 VAL 5 2HG1 VAL 5 -0.143 0.384 -3.588 44 HG13 VAL 5 3HG1 VAL 5 0.543 0.106 -5.190 45 HG21 VAL 5 3HG2 VAL 5 1.003 3.688 -6.106 46 HG22 VAL 5 1HG2 VAL 5 -0.401 2.721 -6.574 47 HG23 VAL 5 2HG2 VAL 5 1.220 2.021 -6.643 48 H VAL 6 H VAL 6 -2.671 2.403 -2.809 49 HA VAL 6 HA VAL 6 -1.754 1.896 -0.086 50 HB VAL 6 HB VAL 6 -4.533 1.477 -1.294 51 HG11 VAL 6 1HG1 VAL 6 -3.671 1.620 1.621 52 HG12 VAL 6 2HG1 VAL 6 -4.189 0.167 0.766 53 HG13 VAL 6 3HG1 VAL 6 -5.338 1.475 1.054 54 HG21 VAL 6 3HG2 VAL 6 -3.898 3.846 -1.470 55 HG22 VAL 6 1HG2 VAL 6 -3.484 3.879 0.250 56 HG23 VAL 6 2HG2 VAL 6 -5.161 3.638 -0.251 57 H VAL 7 H VAL 7 -1.525 -0.169 0.734 58 HA VAL 7 HA VAL 7 -2.087 -2.510 -0.979 59 HB VAL 7 HB VAL 7 0.271 -2.140 0.934 60 HG11 VAL 7 1HG1 VAL 7 -0.427 -4.551 -0.780 61 HG12 VAL 7 2HG1 VAL 7 -0.516 -4.467 0.981 62 HG13 VAL 7 3HG1 VAL 7 1.050 -4.364 0.173 63 HG21 VAL 7 3HG2 VAL 7 0.617 -0.914 -1.176 64 HG22 VAL 7 1HG2 VAL 7 0.300 -2.389 -2.098 65 HG23 VAL 7 2HG2 VAL 7 1.723 -2.285 -1.053 66 H VAL 8 H VAL 8 -3.260 -4.050 0.018 67 HA VAL 8 HA VAL 8 -3.769 -3.954 2.930 68 HB VAL 8 HB VAL 8 -6.144 -4.634 2.467 69 HG11 VAL 8 1HG1 VAL 8 -5.676 -2.252 2.886 70 HG12 VAL 8 2HG1 VAL 8 -7.003 -2.434 1.737 71 HG13 VAL 8 3HG1 VAL 8 -5.395 -1.986 1.160 72 HG21 VAL 8 3HG2 VAL 8 -5.834 -5.661 0.257 73 HG22 VAL 8 1HG2 VAL 8 -5.452 -4.088 -0.447 74 HG23 VAL 8 2HG2 VAL 8 -7.069 -4.411 0.177 75 H THR 9 H THR 9 -4.320 -6.038 3.815 76 HA THR 9 HA THR 9 -3.402 -8.346 2.208 77 HB THR 9 HB THR 9 -3.199 -9.422 4.562 78 HG1 THR 9 HG1 THR 9 -2.812 -7.003 5.759 79 HG21 THR 9 3HG2 THR 9 -1.390 -7.056 3.901 80 HG22 THR 9 1HG2 THR 9 -1.208 -8.695 3.266 81 HG23 THR 9 2HG2 THR 9 -0.992 -8.387 4.990 82 H SER 10 H SER 10 -6.287 -6.947 2.933 83 HA SER 10 HA SER 10 -7.739 -9.514 3.019 84 HB2 SER 10 2HB SER 10 -7.600 -8.716 5.353 85 HB3 SER 10 3HB SER 10 -8.267 -7.155 4.878 86 HG SER 10 HG SER 10 -9.572 -9.667 4.635 87 H GLU 11 H GLU 11 -9.661 -9.525 1.948 88 HA GLU 11 HA GLU 11 -10.300 -7.686 -0.062 89 HB2 GLU 11 2HB GLU 11 -11.848 -9.965 1.217 90 HB3 GLU 11 3HB GLU 11 -12.565 -8.998 -0.069 91 HG2 GLU 11 2HG GLU 11 -9.954 -10.523 -0.345 92 HG3 GLU 11 3HG GLU 11 -11.529 -11.148 -0.833 93 H GLN 12 H GLN 12 -11.533 -7.934 3.270 94 HA GLN 12 HA GLN 12 -13.709 -6.123 2.892 95 HB2 GLN 12 2HB GLN 12 -13.935 -6.099 5.317 96 HB3 GLN 12 3HB GLN 12 -13.685 -7.745 4.750 97 HG2 GLN 12 2HG GLN 12 -11.334 -7.640 5.475 98 HG3 GLN 12 3HG GLN 12 -11.573 -5.989 6.038 99 HE21 GLN 12 1HE2 GLN 12 -12.891 -5.643 7.872 100 HE22 GLN 12 2HE2 GLN 12 -13.213 -6.905 9.005 101 H LEU 13 H LEU 13 -10.336 -5.722 3.925 102 HA LEU 13 HA LEU 13 -10.463 -2.918 4.470 103 HB2 LEU 13 2HB LEU 13 -8.117 -4.732 3.791 104 HB3 LEU 13 3HB LEU 13 -7.938 -3.057 4.293 105 HG LEU 13 HG LEU 13 -9.172 -5.245 6.022 106 HD11 LEU 13 1HD1 LEU 13 -7.083 -5.182 7.321 107 HD12 LEU 13 2HD1 LEU 13 -6.378 -4.070 6.144 108 HD13 LEU 13 3HD1 LEU 13 -6.805 -5.715 5.664 109 HD21 LEU 13 3HD2 LEU 13 -8.358 -2.399 6.724 110 HD22 LEU 13 1HD2 LEU 13 -8.970 -3.614 7.854 111 HD23 LEU 13 2HD2 LEU 13 -10.011 -3.001 6.573 112 H LYS 14 H LYS 14 -9.804 -4.877 1.628 113 HA LYS 14 HA LYS 14 -8.710 -2.955 -0.111 114 HB2 LYS 14 2HB LYS 14 -8.572 -5.383 -0.456 115 HB3 LYS 14 3HB LYS 14 -10.315 -5.478 -0.667 116 HG2 LYS 14 2HG LYS 14 -10.145 -4.216 -2.779 117 HG3 LYS 14 3HG LYS 14 -8.391 -4.071 -2.559 118 HD2 LYS 14 2HD LYS 14 -8.088 -6.465 -2.739 119 HD3 LYS 14 3HD LYS 14 -9.826 -6.757 -2.663 120 HE2 LYS 14 2HE LYS 14 -10.031 -5.555 -4.868 121 HE3 LYS 14 3HE LYS 14 -8.267 -5.515 -4.939 122 HZ1 LYS 14 3HZ LYS 14 -8.216 -7.899 -4.930 123 HZ2 LYS 14 1HZ LYS 14 -9.250 -7.390 -6.166 124 HZ3 LYS 14 2HZ LYS 14 -9.887 -7.997 -4.720 125 H GLU 15 H GLU 15 -12.029 -4.261 -0.025 126 HA GLU 15 HA GLU 15 -13.160 -2.462 -1.855 127 HB2 GLU 15 2HB GLU 15 -15.313 -3.349 -1.180 128 HB3 GLU 15 3HB GLU 15 -14.151 -4.668 -1.250 129 HG2 GLU 15 2HG GLU 15 -13.975 -4.743 1.159 130 HG3 GLU 15 3HG GLU 15 -14.947 -3.282 1.329 131 H GLU 16 H GLU 16 -12.632 -2.250 1.615 132 HA GLU 16 HA GLU 16 -14.411 -0.132 2.239 133 HB2 GLU 16 2HB GLU 16 -13.508 -1.636 3.952 134 HB3 GLU 16 3HB GLU 16 -11.870 -1.074 3.632 135 HG2 GLU 16 2HG GLU 16 -12.463 1.165 4.470 136 HG3 GLU 16 3HG GLU 16 -14.123 0.629 4.750 137 H VAL 17 H VAL 17 -10.828 -0.086 1.860 138 HA VAL 17 HA VAL 17 -10.469 2.674 1.948 139 HB VAL 17 HB VAL 17 -8.744 0.596 0.521 140 HG11 VAL 17 1HG1 VAL 17 -6.903 2.259 0.670 141 HG12 VAL 17 2HG1 VAL 17 -8.036 3.449 1.315 142 HG13 VAL 17 3HG1 VAL 17 -8.225 2.849 -0.336 143 HG21 VAL 17 3HG2 VAL 17 -8.463 1.817 3.301 144 HG22 VAL 17 1HG2 VAL 17 -7.346 0.658 2.569 145 HG23 VAL 17 2HG2 VAL 17 -9.000 0.173 2.954 146 H ARG 18 H ARG 18 -11.186 0.577 -0.858 147 HA ARG 18 HA ARG 18 -11.036 2.647 -2.812 148 HB2 ARG 18 2HB ARG 18 -12.502 -0.019 -2.931 149 HB3 ARG 18 3HB ARG 18 -12.306 1.079 -4.300 150 HG2 ARG 18 2HG ARG 18 -9.809 0.854 -3.989 151 HG3 ARG 18 3HG ARG 18 -10.137 -0.423 -2.814 152 HD2 ARG 18 2HD ARG 18 -10.925 -0.423 -5.746 153 HD3 ARG 18 3HD ARG 18 -9.609 -1.351 -5.017 154 HE ARG 18 HE ARG 18 -12.124 -1.941 -3.782 155 HH11 ARG 18 1HH1 ARG 18 -10.249 -2.616 -6.690 156 HH12 ARG 18 2HH1 ARG 18 -11.022 -4.140 -6.975 157 HH21 ARG 18 1HH2 ARG 18 -13.120 -3.960 -4.174 158 HH22 ARG 18 2HH2 ARG 18 -12.643 -4.895 -5.554 159 H LYS 19 H LYS 19 -13.656 1.569 -0.680 160 HA LYS 19 HA LYS 19 -15.741 2.998 -2.054 161 HB2 LYS 19 2HB LYS 19 -16.180 1.039 -0.537 162 HB3 LYS 19 3HB LYS 19 -15.685 2.021 0.833 163 HG2 LYS 19 2HG LYS 19 -18.135 1.869 0.684 164 HG3 LYS 19 3HG LYS 19 -17.587 3.533 0.492 165 HD2 LYS 19 2HD LYS 19 -19.394 3.020 -1.085 166 HD3 LYS 19 3HD LYS 19 -17.898 3.362 -1.956 167 HE2 LYS 19 2HE LYS 19 -19.080 1.463 -2.961 168 HE3 LYS 19 3HE LYS 19 -17.548 0.921 -2.274 169 HZ1 LYS 19 3HZ LYS 19 -19.278 -0.627 -1.724 170 HZ2 LYS 19 1HZ LYS 19 -20.247 0.599 -1.077 171 HZ3 LYS 19 2HZ LYS 19 -18.809 0.165 -0.308 172 H LYS 20 H LYS 20 -13.543 3.687 0.596 173 HA LYS 20 HA LYS 20 -14.589 6.217 1.393 174 HB2 LYS 20 2HB LYS 20 -11.760 5.119 1.681 175 HB3 LYS 20 3HB LYS 20 -12.426 6.495 2.561 176 HG2 LYS 20 2HG LYS 20 -14.018 5.009 3.707 177 HG3 LYS 20 3HG LYS 20 -13.408 3.631 2.788 178 HD2 LYS 20 2HD LYS 20 -12.424 3.611 5.014 179 HD3 LYS 20 3HD LYS 20 -11.165 3.957 3.820 180 HE2 LYS 20 2HE LYS 20 -11.007 5.372 5.868 181 HE3 LYS 20 3HE LYS 20 -11.199 6.316 4.391 182 HZ1 LYS 20 3HZ LYS 20 -13.501 6.648 4.893 183 HZ2 LYS 20 1HZ LYS 20 -12.594 7.093 6.246 184 HZ3 LYS 20 2HZ LYS 20 -13.427 5.623 6.234 185 H PHE 21 H PHE 21 -11.960 5.148 -0.730 186 HA PHE 21 HA PHE 21 -11.900 7.722 -2.158 187 HB2 PHE 21 2HB PHE 21 -9.322 6.298 -1.386 188 HB3 PHE 21 3HB PHE 21 -9.509 7.910 -2.058 189 HD1 PHE 21 HD1 PHE 21 -10.530 9.751 -0.581 190 HD2 PHE 21 HD2 PHE 21 -9.294 5.954 0.964 191 HE1 PHE 21 HE1 PHE 21 -10.477 10.675 1.707 192 HE2 PHE 21 HE2 PHE 21 -9.254 6.895 3.226 193 HZ PHE 21 HZ PHE 21 -9.828 9.223 3.604 194 HA PRO 22 HA PRO 22 -12.010 4.259 -5.306 195 HB2 PRO 22 2HB PRO 22 -13.466 6.395 -6.824 196 HB3 PRO 22 3HB PRO 22 -13.916 4.698 -6.552 197 HG2 PRO 22 2HG PRO 22 -15.231 6.669 -5.304 198 HG3 PRO 22 3HG PRO 22 -14.884 5.129 -4.482 199 HD2 PRO 22 2HD PRO 22 -13.450 7.772 -4.202 200 HD3 PRO 22 3HD PRO 22 -13.942 6.617 -2.939 201 H GLN 23 H GLN 23 -10.853 7.427 -5.066 202 HA GLN 23 HA GLN 23 -9.684 7.863 -7.629 203 HB2 GLN 23 2HB GLN 23 -8.582 9.796 -6.426 204 HB3 GLN 23 3HB GLN 23 -10.336 9.734 -6.253 205 HG2 GLN 23 2HG GLN 23 -9.905 8.520 -4.015 206 HG3 GLN 23 3HG GLN 23 -8.232 9.041 -4.190 207 HE21 GLN 23 1HE2 GLN 23 -8.453 10.206 -2.253 208 HE22 GLN 23 2HE2 GLN 23 -9.292 11.711 -2.180 209 H VAL 24 H VAL 24 -8.520 6.252 -4.689 210 HA VAL 24 HA VAL 24 -5.724 6.309 -5.655 211 HB VAL 24 HB VAL 24 -5.052 5.432 -3.446 212 HG11 VAL 24 1HG1 VAL 24 -5.568 7.432 -2.093 213 HG12 VAL 24 2HG1 VAL 24 -6.841 7.879 -3.233 214 HG13 VAL 24 3HG1 VAL 24 -5.154 7.858 -3.758 215 HG21 VAL 24 3HG2 VAL 24 -6.676 5.235 -1.574 216 HG22 VAL 24 1HG2 VAL 24 -7.026 4.084 -2.867 217 HG23 VAL 24 2HG2 VAL 24 -8.006 5.542 -2.696 218 H GLU 25 H GLU 25 -4.469 4.365 -5.640 219 HA GLU 25 HA GLU 25 -5.864 2.026 -6.685 220 HB2 GLU 25 2HB GLU 25 -2.875 2.552 -6.374 221 HB3 GLU 25 3HB GLU 25 -3.610 1.226 -7.282 222 HG2 GLU 25 2HG GLU 25 -4.572 2.805 -8.871 223 HG3 GLU 25 3HG GLU 25 -3.958 4.166 -7.933 224 H VAL 26 H VAL 26 -6.049 0.106 -5.610 225 HA VAL 26 HA VAL 26 -4.701 -0.229 -2.993 226 HB VAL 26 HB VAL 26 -7.608 -0.972 -3.591 227 HG11 VAL 26 1HG1 VAL 26 -7.732 -1.592 -1.181 228 HG12 VAL 26 2HG1 VAL 26 -6.001 -1.276 -1.023 229 HG13 VAL 26 3HG1 VAL 26 -6.566 -2.591 -2.056 230 HG21 VAL 26 3HG2 VAL 26 -8.199 0.776 -1.928 231 HG22 VAL 26 1HG2 VAL 26 -7.327 1.467 -3.303 232 HG23 VAL 26 2HG2 VAL 26 -6.493 1.200 -1.769 233 H ARG 27 H ARG 27 -3.300 -1.795 -3.322 234 HA ARG 27 HA ARG 27 -3.706 -4.023 -5.158 235 HB2 ARG 27 2HB ARG 27 -1.336 -2.988 -3.546 236 HB3 ARG 27 3HB ARG 27 -1.267 -4.485 -4.470 237 HG2 ARG 27 2HG ARG 27 -2.044 -1.933 -5.885 238 HG3 ARG 27 3HG ARG 27 -0.350 -2.206 -5.472 239 HD2 ARG 27 2HD ARG 27 -0.795 -2.954 -7.744 240 HD3 ARG 27 3HD ARG 27 -0.378 -4.326 -6.724 241 HE ARG 27 HE ARG 27 -3.214 -3.837 -7.054 242 HH11 ARG 27 1HH1 ARG 27 -0.414 -5.596 -8.275 243 HH12 ARG 27 2HH1 ARG 27 -1.370 -6.795 -9.082 244 HH21 ARG 27 1HH2 ARG 27 -4.447 -5.365 -8.186 245 HH22 ARG 27 2HH2 ARG 27 -3.664 -6.655 -9.030 246 H LEU 28 H LEU 28 -4.147 -6.063 -4.408 247 HA LEU 28 HA LEU 28 -4.356 -6.543 -1.508 248 HB2 LEU 28 2HB LEU 28 -6.268 -7.233 -2.953 249 HB3 LEU 28 3HB LEU 28 -5.203 -8.318 -3.835 250 HG LEU 28 HG LEU 28 -4.778 -9.495 -1.545 251 HD11 LEU 28 1HD1 LEU 28 -6.511 -9.271 0.157 252 HD12 LEU 28 2HD1 LEU 28 -7.275 -7.973 -0.766 253 HD13 LEU 28 3HD1 LEU 28 -5.655 -7.750 -0.095 254 HD21 LEU 28 3HD2 LEU 28 -6.074 -10.559 -3.303 255 HD22 LEU 28 1HD2 LEU 28 -7.531 -9.707 -2.788 256 HD23 LEU 28 2HD2 LEU 28 -6.778 -10.899 -1.723 257 H VAL 29 H VAL 29 -2.895 -7.776 -0.452 258 HA VAL 29 HA VAL 29 -1.041 -9.516 -1.954 259 HB VAL 29 HB VAL 29 -0.370 -7.783 0.474 260 HG11 VAL 29 1HG1 VAL 29 1.390 -9.828 -0.940 261 HG12 VAL 29 2HG1 VAL 29 0.744 -9.968 0.698 262 HG13 VAL 29 3HG1 VAL 29 1.926 -8.713 0.322 263 HG21 VAL 29 3HG2 VAL 29 -0.358 -6.530 -1.655 264 HG22 VAL 29 1HG2 VAL 29 0.752 -7.714 -2.358 265 HG23 VAL 29 2HG2 VAL 29 1.277 -6.697 -1.013 266 H THR 30 H THR 30 -1.736 -11.494 -1.539 267 HA THR 30 HA THR 30 -2.394 -12.333 1.223 268 HB THR 30 HB THR 30 -3.518 -14.324 0.118 269 HG1 THR 30 HG1 THR 30 -4.090 -13.665 -2.222 270 HG21 THR 30 3HG2 THR 30 -4.861 -12.395 0.893 271 HG22 THR 30 1HG2 THR 30 -5.547 -13.099 -0.577 272 HG23 THR 30 2HG2 THR 30 -4.624 -11.598 -0.664 273 H THR 31 H THR 31 -0.349 -12.799 -1.524 274 HA THR 31 HA THR 31 1.384 -14.684 -0.033 275 HB THR 31 HB THR 31 2.128 -15.629 -2.212 276 HG1 THR 31 HG1 THR 31 0.138 -13.914 -3.308 277 HG21 THR 31 3HG2 THR 31 -0.900 -15.742 -1.951 278 HG22 THR 31 1HG2 THR 31 0.239 -16.791 -1.102 279 HG23 THR 31 2HG2 THR 31 0.097 -16.880 -2.860 280 H GLU 32 H GLU 32 3.703 -14.382 -0.545 281 HA GLU 32 HA GLU 32 4.581 -11.710 -0.497 282 HB2 GLU 32 2HB GLU 32 5.957 -13.559 0.390 283 HB3 GLU 32 3HB GLU 32 6.174 -14.198 -1.239 284 HG2 GLU 32 2HG GLU 32 7.374 -12.105 -1.882 285 HG3 GLU 32 3HG GLU 32 7.183 -11.506 -0.235 286 H GLU 33 H GLU 33 4.062 -13.931 -3.156 287 HA GLU 33 HA GLU 33 5.486 -12.758 -5.230 288 HB2 GLU 33 2HB GLU 33 4.414 -14.986 -5.356 289 HB3 GLU 33 3HB GLU 33 2.821 -14.237 -5.367 290 HG2 GLU 33 2HG GLU 33 3.254 -13.221 -7.540 291 HG3 GLU 33 3HG GLU 33 4.926 -13.773 -7.507 292 H ASP 34 H ASP 34 2.209 -12.033 -4.032 293 HA ASP 34 HA ASP 34 1.409 -10.110 -5.915 294 HB2 ASP 34 2HB ASP 34 0.742 -10.210 -2.942 295 HB3 ASP 34 3HB ASP 34 -0.109 -9.228 -4.121 296 H ALA 35 H ALA 35 3.162 -9.747 -2.840 297 HA ALA 35 HA ALA 35 3.380 -6.926 -2.815 298 HB1 ALA 35 3HB ALA 35 3.682 -8.295 -0.795 299 HB2 ALA 35 1HB ALA 35 5.087 -7.263 -1.073 300 HB3 ALA 35 2HB ALA 35 5.163 -8.983 -1.467 301 H LYS 36 H LYS 36 5.458 -9.470 -4.157 302 HA LYS 36 HA LYS 36 7.649 -7.900 -4.981 303 HB2 LYS 36 2HB LYS 36 6.532 -10.508 -6.107 304 HB3 LYS 36 3HB LYS 36 8.095 -9.827 -6.552 305 HG2 LYS 36 2HG LYS 36 8.955 -10.124 -4.331 306 HG3 LYS 36 3HG LYS 36 7.365 -10.527 -3.697 307 HD2 LYS 36 2HD LYS 36 8.691 -12.546 -3.839 308 HD3 LYS 36 3HD LYS 36 7.392 -12.633 -5.026 309 HE2 LYS 36 2HE LYS 36 10.190 -11.744 -5.784 310 HE3 LYS 36 3HE LYS 36 9.727 -13.444 -5.746 311 HZ1 LYS 36 3HZ LYS 36 8.549 -11.322 -7.452 312 HZ2 LYS 36 1HZ LYS 36 7.938 -12.894 -7.333 313 HZ3 LYS 36 2HZ LYS 36 9.488 -12.631 -7.946 314 H GLN 37 H GLN 37 4.579 -8.743 -6.564 315 HA GLN 37 HA GLN 37 5.023 -7.490 -9.064 316 HB2 GLN 37 2HB GLN 37 2.358 -7.917 -7.644 317 HB3 GLN 37 3HB GLN 37 2.571 -7.568 -9.357 318 HG2 GLN 37 2HG GLN 37 3.703 -9.727 -9.663 319 HG3 GLN 37 3HG GLN 37 3.524 -10.072 -7.946 320 HE21 GLN 37 1HE2 GLN 37 1.131 -8.596 -10.093 321 HE22 GLN 37 2HE2 GLN 37 -0.030 -9.865 -9.963 322 H VAL 38 H VAL 38 3.670 -6.306 -5.995 323 HA VAL 38 HA VAL 38 2.896 -3.724 -6.814 324 HB VAL 38 HB VAL 38 3.810 -4.641 -4.034 325 HG11 VAL 38 1HG1 VAL 38 2.520 -2.697 -3.164 326 HG12 VAL 38 2HG1 VAL 38 2.222 -2.163 -4.822 327 HG13 VAL 38 3HG1 VAL 38 3.867 -2.186 -4.182 328 HG21 VAL 38 3HG2 VAL 38 1.008 -4.464 -5.211 329 HG22 VAL 38 1HG2 VAL 38 1.389 -4.897 -3.540 330 HG23 VAL 38 2HG2 VAL 38 1.893 -5.947 -4.864 331 H ILE 39 H ILE 39 5.987 -4.959 -5.522 332 HA ILE 39 HA ILE 39 7.420 -2.578 -5.232 333 HB ILE 39 HB ILE 39 8.376 -5.387 -5.905 334 HG12 ILE 39 2HG1 ILE 39 8.505 -3.847 -3.273 335 HG13 ILE 39 3HG1 ILE 39 7.261 -5.024 -3.674 336 HG21 ILE 39 1HG2 ILE 39 10.120 -3.030 -5.108 337 HG22 ILE 39 2HG2 ILE 39 10.106 -3.821 -6.684 338 HG23 ILE 39 3HG2 ILE 39 10.663 -4.704 -5.264 339 HD11 ILE 39 3HD1 ILE 39 8.958 -6.777 -3.803 340 HD12 ILE 39 1HD1 ILE 39 8.937 -5.983 -2.228 341 HD13 ILE 39 2HD1 ILE 39 10.207 -5.598 -3.389 342 H LYS 40 H LYS 40 7.191 -4.732 -8.090 343 HA LYS 40 HA LYS 40 8.816 -3.243 -9.849 344 HB2 LYS 40 2HB LYS 40 6.454 -5.062 -10.509 345 HB3 LYS 40 3HB LYS 40 7.642 -4.482 -11.681 346 HG2 LYS 40 2HG LYS 40 9.427 -5.677 -10.452 347 HG3 LYS 40 3HG LYS 40 8.224 -6.273 -9.296 348 HD2 LYS 40 2HD LYS 40 7.054 -7.439 -11.174 349 HD3 LYS 40 3HD LYS 40 8.316 -6.887 -12.282 350 HE2 LYS 40 2HE LYS 40 9.991 -8.167 -11.015 351 HE3 LYS 40 3HE LYS 40 8.749 -8.684 -9.872 352 HZ1 LYS 40 3HZ LYS 40 8.868 -9.352 -12.759 353 HZ2 LYS 40 1HZ LYS 40 7.619 -9.803 -11.716 354 HZ3 LYS 40 2HZ LYS 40 9.179 -10.400 -11.476 355 H GLU 41 H GLU 41 5.325 -3.200 -9.276 356 HA GLU 41 HA GLU 41 4.429 -1.411 -11.213 357 HB2 GLU 41 2HB GLU 41 3.076 -2.945 -9.725 358 HB3 GLU 41 3HB GLU 41 3.344 -1.834 -8.394 359 HG2 GLU 41 2HG GLU 41 1.127 -1.528 -9.320 360 HG3 GLU 41 3HG GLU 41 2.115 -0.087 -9.589 361 H ILE 42 H ILE 42 5.598 -0.846 -7.936 362 HA ILE 42 HA ILE 42 5.263 1.907 -7.680 363 HB ILE 42 HB ILE 42 7.290 0.008 -6.443 364 HG12 ILE 42 2HG1 ILE 42 4.867 1.332 -5.129 365 HG13 ILE 42 3HG1 ILE 42 4.812 -0.267 -5.862 366 HG21 ILE 42 1HG2 ILE 42 7.779 1.783 -4.773 367 HG22 ILE 42 2HG2 ILE 42 6.817 2.916 -5.727 368 HG23 ILE 42 3HG2 ILE 42 8.292 2.222 -6.401 369 HD11 ILE 42 3HD1 ILE 42 6.488 -1.064 -4.262 370 HD12 ILE 42 1HD1 ILE 42 5.057 -0.418 -3.459 371 HD13 ILE 42 2HD1 ILE 42 6.537 0.538 -3.520 372 H GLN 43 H GLN 43 8.069 0.024 -8.832 373 HA GLN 43 HA GLN 43 9.817 2.181 -9.361 374 HB2 GLN 43 2HB GLN 43 9.738 -0.617 -10.570 375 HB3 GLN 43 3HB GLN 43 11.094 0.500 -10.729 376 HG2 GLN 43 2HG GLN 43 11.482 0.428 -8.321 377 HG3 GLN 43 3HG GLN 43 10.061 -0.592 -8.092 378 HE21 GLN 43 1HE2 GLN 43 11.320 -2.243 -7.138 379 HE22 GLN 43 2HE2 GLN 43 12.368 -3.248 -8.075 380 H LYS 44 H LYS 44 7.278 0.665 -11.278 381 HA LYS 44 HA LYS 44 7.983 1.717 -13.827 382 HB2 LYS 44 2HB LYS 44 5.279 0.727 -12.826 383 HB3 LYS 44 3HB LYS 44 5.651 1.076 -14.515 384 HG2 LYS 44 2HG LYS 44 6.899 -1.085 -12.791 385 HG3 LYS 44 3HG LYS 44 5.752 -1.318 -14.113 386 HD2 LYS 44 2HD LYS 44 7.450 -0.423 -15.711 387 HD3 LYS 44 3HD LYS 44 8.595 -0.230 -14.377 388 HE2 LYS 44 2HE LYS 44 9.060 -2.293 -15.639 389 HE3 LYS 44 3HE LYS 44 8.554 -2.671 -13.993 390 HZ1 LYS 44 3HZ LYS 44 6.350 -3.172 -14.818 391 HZ2 LYS 44 1HZ LYS 44 7.501 -4.112 -15.619 392 HZ3 LYS 44 2HZ LYS 44 6.812 -2.780 -16.391 393 H LYS 45 H LYS 45 5.548 2.764 -11.423 394 HA LYS 45 HA LYS 45 4.842 5.128 -13.002 395 HB2 LYS 45 2HB LYS 45 3.824 4.051 -10.350 396 HB3 LYS 45 3HB LYS 45 3.207 5.527 -11.093 397 HG2 LYS 45 2HG LYS 45 2.354 4.300 -12.991 398 HG3 LYS 45 3HG LYS 45 3.133 2.808 -12.448 399 HD2 LYS 45 2HD LYS 45 0.903 4.279 -10.978 400 HD3 LYS 45 3HD LYS 45 0.695 2.834 -11.971 401 HE2 LYS 45 2HE LYS 45 2.399 1.715 -10.363 402 HE3 LYS 45 3HE LYS 45 2.096 3.097 -9.300 403 HZ1 LYS 45 3HZ LYS 45 0.694 1.167 -8.807 404 HZ2 LYS 45 1HZ LYS 45 0.006 1.270 -10.349 405 HZ3 LYS 45 2HZ LYS 45 -0.211 2.518 -9.240 406 H GLY 46 H GLY 46 7.005 4.380 -10.436 407 HA2 GLY 46 2HA GLY 46 8.466 5.695 -9.229 408 HA3 GLY 46 3HA GLY 46 7.866 7.114 -10.077 409 H VAL 47 H VAL 47 6.368 4.669 -7.946 410 HA VAL 47 HA VAL 47 4.583 6.545 -6.745 411 HB VAL 47 HB VAL 47 5.246 3.711 -5.852 412 HG11 VAL 47 1HG1 VAL 47 4.139 4.975 -4.050 413 HG12 VAL 47 2HG1 VAL 47 3.058 3.741 -4.702 414 HG13 VAL 47 3HG1 VAL 47 2.838 5.434 -5.155 415 HG21 VAL 47 3HG2 VAL 47 3.019 4.694 -7.673 416 HG22 VAL 47 1HG2 VAL 47 3.235 3.034 -7.108 417 HG23 VAL 47 2HG2 VAL 47 4.436 3.765 -8.172 418 H GLN 48 H GLN 48 4.832 7.734 -4.933 419 HA GLN 48 HA GLN 48 7.528 7.851 -3.795 420 HB2 GLN 48 2HB GLN 48 6.381 9.895 -4.761 421 HB3 GLN 48 3HB GLN 48 5.224 9.820 -3.438 422 HG2 GLN 48 2HG GLN 48 6.955 11.476 -2.967 423 HG3 GLN 48 3HG GLN 48 7.067 10.146 -1.812 424 HE21 GLN 48 1HE2 GLN 48 8.813 8.645 -2.039 425 HE22 GLN 48 2HE2 GLN 48 10.253 9.073 -2.893 426 H LYS 49 H LYS 49 4.134 7.762 -2.685 427 HA LYS 49 HA LYS 49 5.025 6.809 -0.019 428 HB2 LYS 49 2HB LYS 49 2.447 8.232 -0.826 429 HB3 LYS 49 3HB LYS 49 2.754 7.555 0.776 430 HG2 LYS 49 2HG LYS 49 4.769 9.140 0.888 431 HG3 LYS 49 3HG LYS 49 4.091 9.934 -0.544 432 HD2 LYS 49 2HD LYS 49 2.023 10.440 0.684 433 HD3 LYS 49 3HD LYS 49 2.594 9.539 2.088 434 HE2 LYS 49 2HE LYS 49 2.880 11.890 2.542 435 HE3 LYS 49 3HE LYS 49 4.479 11.188 2.289 436 HZ1 LYS 49 3HZ LYS 49 4.454 12.047 0.034 437 HZ2 LYS 49 1HZ LYS 49 4.240 13.293 1.155 438 HZ3 LYS 49 2HZ LYS 49 2.918 12.713 0.282 439 H VAL 50 H VAL 50 4.497 4.800 0.511 440 HA VAL 50 HA VAL 50 2.258 3.417 -0.855 441 HB VAL 50 HB VAL 50 4.884 2.185 0.119 442 HG11 VAL 50 1HG1 VAL 50 3.019 0.615 0.519 443 HG12 VAL 50 2HG1 VAL 50 4.038 0.037 -0.802 444 HG13 VAL 50 3HG1 VAL 50 2.484 0.800 -1.155 445 HG21 VAL 50 3HG2 VAL 50 3.777 2.477 -2.701 446 HG22 VAL 50 1HG2 VAL 50 5.297 1.691 -2.257 447 HG23 VAL 50 2HG2 VAL 50 5.099 3.425 -2.012 448 H VAL 51 H VAL 51 0.676 2.976 0.463 449 HA VAL 51 HA VAL 51 0.948 2.944 3.372 450 HB VAL 51 HB VAL 51 -1.471 2.671 1.524 451 HG11 VAL 51 1HG1 VAL 51 -1.903 1.391 3.566 452 HG12 VAL 51 2HG1 VAL 51 -2.879 2.862 3.558 453 HG13 VAL 51 3HG1 VAL 51 -1.427 2.770 4.554 454 HG21 VAL 51 3HG2 VAL 51 -2.094 4.903 2.358 455 HG22 VAL 51 1HG2 VAL 51 -0.510 4.939 1.580 456 HG23 VAL 51 2HG2 VAL 51 -0.628 4.958 3.344 457 H LEU 52 H LEU 52 1.109 1.053 4.497 458 HA LEU 52 HA LEU 52 0.465 -1.519 3.199 459 HB2 LEU 52 2HB LEU 52 2.653 -0.824 5.197 460 HB3 LEU 52 3HB LEU 52 2.252 -2.464 4.726 461 HG LEU 52 HG LEU 52 3.362 -0.325 2.853 462 HD11 LEU 52 1HD1 LEU 52 5.423 -1.606 2.840 463 HD12 LEU 52 2HD1 LEU 52 4.738 -2.785 3.965 464 HD13 LEU 52 3HD1 LEU 52 5.024 -1.124 4.487 465 HD21 LEU 52 3HD2 LEU 52 3.616 -2.127 1.207 466 HD22 LEU 52 1HD2 LEU 52 1.927 -1.877 1.639 467 HD23 LEU 52 2HD2 LEU 52 2.809 -3.256 2.303 468 H VAL 53 H VAL 53 -1.592 -1.740 3.982 469 HA VAL 53 HA VAL 53 -2.307 -1.255 6.755 470 HB VAL 53 HB VAL 53 -4.106 -2.373 4.552 471 HG11 VAL 53 1HG1 VAL 53 -5.972 -1.534 5.957 472 HG12 VAL 53 2HG1 VAL 53 -4.814 -1.003 7.181 473 HG13 VAL 53 3HG1 VAL 53 -4.996 -2.723 6.823 474 HG21 VAL 53 3HG2 VAL 53 -4.938 -0.078 4.181 475 HG22 VAL 53 1HG2 VAL 53 -3.213 -0.198 3.814 476 HG23 VAL 53 2HG2 VAL 53 -3.744 0.548 5.323 477 H GLY 54 H GLY 54 -1.598 -2.758 8.105 478 HA2 GLY 54 2HA GLY 54 -1.407 -4.708 9.271 479 HA3 GLY 54 3HA GLY 54 -2.863 -5.208 8.429 480 H VAL 55 H VAL 55 0.403 -4.605 7.113 481 HA VAL 55 HA VAL 55 0.386 -7.235 5.807 482 HB VAL 55 HB VAL 55 2.335 -6.473 4.534 483 HG11 VAL 55 1HG1 VAL 55 0.139 -5.759 3.696 484 HG12 VAL 55 2HG1 VAL 55 1.365 -4.543 3.327 485 HG13 VAL 55 3HG1 VAL 55 0.229 -4.276 4.654 486 HG21 VAL 55 3HG2 VAL 55 3.543 -5.261 6.299 487 HG22 VAL 55 1HG2 VAL 55 2.328 -3.979 6.287 488 HG23 VAL 55 2HG2 VAL 55 3.360 -4.234 4.877 489 H SER 56 H SER 56 2.535 -8.434 5.780 490 HA SER 56 HA SER 56 3.559 -8.968 8.381 491 HB2 SER 56 2HB SER 56 3.544 -10.739 6.662 492 HB3 SER 56 3HB SER 56 4.568 -9.767 5.608 493 HG SER 56 HG SER 56 5.252 -11.358 7.721 494 H GLU 57 H GLU 57 5.501 -8.330 9.261 495 HA GLU 57 HA GLU 57 6.722 -5.877 8.663 496 HB2 GLU 57 2HB GLU 57 8.494 -6.615 10.270 497 HB3 GLU 57 3HB GLU 57 6.865 -6.865 10.895 498 HG2 GLU 57 2HG GLU 57 6.981 -9.241 10.473 499 HG3 GLU 57 3HG GLU 57 8.510 -9.069 9.607 500 H LYS 58 H LYS 58 7.358 -9.147 7.586 501 HA LYS 58 HA LYS 58 9.984 -8.836 6.544 502 HB2 LYS 58 2HB LYS 58 7.842 -10.860 5.748 503 HB3 LYS 58 3HB LYS 58 9.574 -11.008 5.436 504 HG2 LYS 58 2HG LYS 58 8.249 -10.987 8.173 505 HG3 LYS 58 3HG LYS 58 8.864 -12.411 7.329 506 HD2 LYS 58 2HD LYS 58 11.169 -11.492 7.455 507 HD3 LYS 58 3HD LYS 58 10.558 -10.054 8.283 508 HE2 LYS 58 2HE LYS 58 11.539 -11.638 9.891 509 HE3 LYS 58 3HE LYS 58 9.805 -11.471 10.172 510 HZ1 LYS 58 3HZ LYS 58 9.468 -13.545 8.960 511 HZ2 LYS 58 1HZ LYS 58 10.486 -13.769 10.283 512 HZ3 LYS 58 2HZ LYS 58 11.130 -13.704 8.728 513 H LEU 59 H LEU 59 6.749 -8.545 5.142 514 HA LEU 59 HA LEU 59 7.557 -8.039 2.442 515 HB2 LEU 59 2HB LEU 59 4.932 -7.516 3.903 516 HB3 LEU 59 3HB LEU 59 5.152 -7.254 2.173 517 HG LEU 59 HG LEU 59 5.379 -9.935 3.597 518 HD11 LEU 59 1HD1 LEU 59 3.072 -9.136 3.497 519 HD12 LEU 59 2HD1 LEU 59 3.312 -10.530 2.446 520 HD13 LEU 59 3HD1 LEU 59 3.213 -8.908 1.750 521 HD21 LEU 59 3HD2 LEU 59 5.600 -9.281 0.640 522 HD22 LEU 59 1HD2 LEU 59 5.525 -10.906 1.329 523 HD23 LEU 59 2HD2 LEU 59 6.894 -9.862 1.691 524 H LEU 60 H LEU 60 6.735 -6.049 5.240 525 HA LEU 60 HA LEU 60 6.710 -3.505 4.088 526 HB2 LEU 60 2HB LEU 60 5.881 -4.034 6.329 527 HB3 LEU 60 3HB LEU 60 7.499 -4.413 6.876 528 HG LEU 60 HG LEU 60 6.920 -1.600 5.919 529 HD11 LEU 60 1HD1 LEU 60 5.066 -2.073 7.432 530 HD12 LEU 60 2HD1 LEU 60 6.189 -0.921 8.148 531 HD13 LEU 60 3HD1 LEU 60 6.197 -2.604 8.681 532 HD21 LEU 60 3HD2 LEU 60 9.257 -2.134 6.487 533 HD22 LEU 60 1HD2 LEU 60 8.765 -2.671 8.096 534 HD23 LEU 60 2HD2 LEU 60 8.598 -0.974 7.634 535 H GLN 61 H GLN 61 9.370 -5.301 5.583 536 HA GLN 61 HA GLN 61 11.436 -3.427 5.146 537 HB2 GLN 61 2HB GLN 61 11.546 -6.444 5.556 538 HB3 GLN 61 3HB GLN 61 12.956 -5.385 5.622 539 HG2 GLN 61 2HG GLN 61 12.161 -4.292 7.596 540 HG3 GLN 61 3HG GLN 61 10.557 -5.008 7.433 541 HE21 GLN 61 1HE2 GLN 61 10.513 -6.003 9.416 542 HE22 GLN 61 2HE2 GLN 61 11.562 -7.288 9.882 543 H LYS 62 H LYS 62 10.164 -6.073 3.167 544 HA LYS 62 HA LYS 62 12.204 -6.069 1.198 545 HB2 LYS 62 2HB LYS 62 10.596 -7.960 1.620 546 HB3 LYS 62 3HB LYS 62 9.324 -7.001 0.863 547 HG2 LYS 62 2HG LYS 62 10.591 -6.981 -1.256 548 HG3 LYS 62 3HG LYS 62 11.887 -7.910 -0.492 549 HD2 LYS 62 2HD LYS 62 10.269 -9.776 -0.106 550 HD3 LYS 62 3HD LYS 62 9.028 -8.850 -0.959 551 HE2 LYS 62 2HE LYS 62 10.098 -10.557 -2.409 552 HE3 LYS 62 3HE LYS 62 10.350 -8.918 -3.014 553 HZ1 LYS 62 3HZ LYS 62 12.362 -10.290 -3.111 554 HZ2 LYS 62 1HZ LYS 62 12.329 -10.471 -1.431 555 HZ3 LYS 62 2HZ LYS 62 12.576 -8.945 -2.112 556 H ILE 63 H ILE 63 9.062 -4.387 1.408 557 HA ILE 63 HA ILE 63 9.096 -3.233 -1.182 558 HB ILE 63 HB ILE 63 7.425 -2.894 1.293 559 HG12 ILE 63 2HG1 ILE 63 5.524 -3.127 -0.344 560 HG13 ILE 63 3HG1 ILE 63 6.687 -3.152 -1.662 561 HG21 ILE 63 1HG2 ILE 63 7.404 -0.730 -0.827 562 HG22 ILE 63 2HG2 ILE 63 7.855 -0.534 0.868 563 HG23 ILE 63 3HG2 ILE 63 6.186 -0.924 0.439 564 HD11 ILE 63 3HD1 ILE 63 6.361 -5.225 0.498 565 HD12 ILE 63 1HD1 ILE 63 7.598 -5.261 -0.762 566 HD13 ILE 63 2HD1 ILE 63 5.893 -5.365 -1.197 567 H LYS 64 H LYS 64 10.310 -2.022 1.984 568 HA LYS 64 HA LYS 64 10.975 0.573 0.913 569 HB2 LYS 64 2HB LYS 64 12.026 1.050 3.093 570 HB3 LYS 64 3HB LYS 64 10.407 0.415 3.259 571 HG2 LYS 64 2HG LYS 64 11.502 -0.658 4.981 572 HG3 LYS 64 3HG LYS 64 11.576 -1.868 3.699 573 HD2 LYS 64 2HD LYS 64 13.922 -1.197 3.202 574 HD3 LYS 64 3HD LYS 64 13.842 0.032 4.469 575 HE2 LYS 64 2HE LYS 64 13.514 -1.729 6.157 576 HE3 LYS 64 3HE LYS 64 13.552 -2.960 4.896 577 HZ1 LYS 64 3HZ LYS 64 15.790 -1.169 5.659 578 HZ2 LYS 64 1HZ LYS 64 15.837 -2.304 4.411 579 HZ3 LYS 64 2HZ LYS 64 15.659 -2.813 6.007 580 H GLN 65 H GLN 65 12.785 -2.481 1.203 581 HA GLN 65 HA GLN 65 15.344 -1.172 0.654 582 HB2 GLN 65 2HB GLN 65 16.392 -3.310 0.887 583 HB3 GLN 65 3HB GLN 65 15.176 -3.183 2.153 584 HG2 GLN 65 2HG GLN 65 13.683 -4.659 0.929 585 HG3 GLN 65 3HG GLN 65 14.783 -4.701 -0.447 586 HE21 GLN 65 1HE2 GLN 65 15.724 -4.954 2.976 587 HE22 GLN 65 2HE2 GLN 65 16.290 -6.580 2.853 588 H GLU 66 H GLU 66 12.908 -2.912 -1.205 589 HA GLU 66 HA GLU 66 14.636 -3.192 -3.560 590 HB2 GLU 66 2HB GLU 66 11.756 -4.042 -3.043 591 HB3 GLU 66 3HB GLU 66 12.622 -4.343 -4.548 592 HG2 GLU 66 2HG GLU 66 13.501 -5.422 -1.852 593 HG3 GLU 66 3HG GLU 66 12.446 -6.294 -2.963 594 H ALA 67 H ALA 67 11.494 -1.659 -2.719 595 HA ALA 67 HA ALA 67 11.318 -0.306 -5.295 596 HB1 ALA 67 3HB ALA 67 9.327 -1.356 -4.305 597 HB2 ALA 67 1HB ALA 67 9.093 0.377 -4.537 598 HB3 ALA 67 2HB ALA 67 9.427 -0.261 -2.925 599 H ASN 68 H ASN 68 12.164 0.511 -1.985 600 HA ASN 68 HA ASN 68 13.061 2.325 -0.999 601 HB2 ASN 68 2HB ASN 68 14.757 2.169 -2.746 602 HB3 ASN 68 3HB ASN 68 13.773 3.128 -3.846 603 HD21 ASN 68 1HD2 ASN 68 15.534 4.567 -4.089 604 HD22 ASN 68 2HD2 ASN 68 15.954 5.716 -2.869 605 H VAL 69 H VAL 69 10.819 2.752 -0.393 606 HA VAL 69 HA VAL 69 9.758 5.347 -1.387 607 HB VAL 69 HB VAL 69 7.436 4.443 -1.029 608 HG11 VAL 69 1HG1 VAL 69 8.371 4.492 -3.290 609 HG12 VAL 69 2HG1 VAL 69 7.314 3.095 -3.079 610 HG13 VAL 69 3HG1 VAL 69 9.068 2.885 -3.059 611 HG21 VAL 69 3HG2 VAL 69 7.951 2.634 0.563 612 HG22 VAL 69 1HG2 VAL 69 8.835 1.754 -0.688 613 HG23 VAL 69 2HG2 VAL 69 7.091 1.990 -0.835 614 H GLN 70 H GLN 70 8.242 6.393 0.140 615 HA GLN 70 HA GLN 70 8.879 6.109 2.944 616 HB2 GLN 70 2HB GLN 70 6.867 7.824 1.426 617 HB3 GLN 70 3HB GLN 70 6.885 7.761 3.184 618 HG2 GLN 70 2HG GLN 70 8.091 9.717 2.524 619 HG3 GLN 70 3HG GLN 70 9.253 8.553 3.152 620 HE21 GLN 70 1HE2 GLN 70 8.085 10.161 0.294 621 HE22 GLN 70 2HE2 GLN 70 9.453 9.817 -0.697 622 H VAL 71 H VAL 71 8.104 4.507 4.068 623 HA VAL 71 HA VAL 71 5.694 3.020 3.301 624 HB VAL 71 HB VAL 71 7.937 2.434 5.296 625 HG11 VAL 71 1HG1 VAL 71 6.910 0.184 5.589 626 HG12 VAL 71 2HG1 VAL 71 5.513 0.711 4.649 627 HG13 VAL 71 3HG1 VAL 71 5.872 1.475 6.200 628 HG21 VAL 71 3HG2 VAL 71 7.228 1.079 2.663 629 HG22 VAL 71 1HG2 VAL 71 8.553 0.618 3.743 630 HG23 VAL 71 2HG2 VAL 71 8.584 2.182 2.922 631 H TYR 72 H TYR 72 3.827 3.373 4.328 632 HA TYR 72 HA TYR 72 3.783 4.403 7.116 633 HB2 TYR 72 2HB TYR 72 1.663 4.793 4.935 634 HB3 TYR 72 3HB TYR 72 1.592 5.439 6.574 635 HD1 TYR 72 HD2 TYR 72 3.223 5.762 3.270 636 HD2 TYR 72 HD1 TYR 72 2.919 7.411 7.206 637 HE1 TYR 72 HE2 TYR 72 4.434 7.752 2.533 638 HE2 TYR 72 HE1 TYR 72 4.135 9.413 6.455 639 HH TYR 72 HH TYR 72 5.782 9.981 4.636 640 H ARG 73 H ARG 73 3.602 2.490 8.216 641 HA ARG 73 HA ARG 73 1.914 0.323 7.274 642 HB2 ARG 73 2HB ARG 73 4.010 -0.201 8.513 643 HB3 ARG 73 3HB ARG 73 3.379 0.627 9.937 644 HG2 ARG 73 2HG ARG 73 1.524 -1.001 10.067 645 HG3 ARG 73 3HG ARG 73 2.142 -1.824 8.636 646 HD2 ARG 73 2HD ARG 73 4.176 -2.448 9.868 647 HD3 ARG 73 3HD ARG 73 3.589 -1.576 11.292 648 HE ARG 73 HE ARG 73 1.573 -3.223 10.985 649 HH11 ARG 73 1HH1 ARG 73 4.975 -4.050 10.643 650 HH12 ARG 73 2HH1 ARG 73 4.737 -5.696 11.128 651 HH21 ARG 73 1HH2 ARG 73 1.296 -5.365 11.635 652 HH22 ARG 73 2HH2 ARG 73 2.656 -6.433 11.685 653 H VAL 74 H VAL 74 -0.179 0.663 7.392 654 HA VAL 74 HA VAL 74 -1.343 2.425 9.429 655 HB VAL 74 HB VAL 74 -2.309 1.370 6.742 656 HG11 VAL 74 1HG1 VAL 74 -4.403 2.649 7.028 657 HG12 VAL 74 2HG1 VAL 74 -3.961 2.992 8.704 658 HG13 VAL 74 3HG1 VAL 74 -4.284 1.331 8.197 659 HG21 VAL 74 3HG2 VAL 74 -0.745 3.267 6.675 660 HG22 VAL 74 1HG2 VAL 74 -1.772 4.181 7.784 661 HG23 VAL 74 2HG2 VAL 74 -2.351 3.789 6.163 662 H THR 75 H THR 75 -2.400 1.673 11.063 663 HA THR 75 HA THR 75 -3.178 -1.155 11.340 664 HB THR 75 HB THR 75 -3.361 -0.447 13.816 665 HG1 THR 75 HG1 THR 75 -2.505 1.553 14.354 666 HG21 THR 75 3HG2 THR 75 -0.629 -0.082 12.511 667 HG22 THR 75 1HG2 THR 75 -1.335 -1.627 13.005 668 HG23 THR 75 2HG2 THR 75 -0.923 -0.416 14.220 669 H SER 76 H SER 76 -4.388 2.130 11.312 670 HA SER 76 HA SER 76 -7.197 1.203 11.388 671 HB2 SER 76 2HB SER 76 -6.615 2.172 13.618 672 HB3 SER 76 3HB SER 76 -6.098 3.663 12.828 673 HG SER 76 HG SER 76 -8.716 2.544 12.795 674 H ASN 77 H ASN 77 -8.596 2.351 10.006 675 HA ASN 77 HA ASN 77 -7.657 3.374 7.613 676 HB2 ASN 77 2HB ASN 77 -9.935 4.022 7.094 677 HB3 ASN 77 3HB ASN 77 -9.999 2.533 8.025 678 HD21 ASN 77 1HD2 ASN 77 -12.066 4.536 7.621 679 HD22 ASN 77 2HD2 ASN 77 -12.520 5.114 9.181 680 H ASP 78 H ASP 78 -8.199 5.025 10.592 681 HA ASP 78 HA ASP 78 -8.441 7.697 9.928 682 HB2 ASP 78 2HB ASP 78 -8.837 6.731 12.154 683 HB3 ASP 78 3HB ASP 78 -7.125 6.365 12.338 684 H GLU 79 H GLU 79 -5.482 5.759 10.220 685 HA GLU 79 HA GLU 79 -3.593 7.852 9.755 686 HB2 GLU 79 2HB GLU 79 -3.356 4.846 9.266 687 HB3 GLU 79 3HB GLU 79 -2.003 5.980 9.273 688 HG2 GLU 79 2HG GLU 79 -3.769 5.244 11.632 689 HG3 GLU 79 3HG GLU 79 -2.104 4.729 11.365 690 H LEU 80 H LEU 80 -5.087 5.395 7.692 691 HA LEU 80 HA LEU 80 -3.800 5.832 5.265 692 HB2 LEU 80 2HB LEU 80 -5.089 3.846 5.738 693 HB3 LEU 80 3HB LEU 80 -6.555 4.765 5.970 694 HG LEU 80 HG LEU 80 -6.334 3.313 3.847 695 HD11 LEU 80 1HD1 LEU 80 -7.189 6.164 3.469 696 HD12 LEU 80 2HD1 LEU 80 -8.170 4.839 4.099 697 HD13 LEU 80 3HD1 LEU 80 -7.605 4.795 2.432 698 HD21 LEU 80 3HD2 LEU 80 -5.252 4.281 1.897 699 HD22 LEU 80 1HD2 LEU 80 -4.077 3.992 3.177 700 HD23 LEU 80 2HD2 LEU 80 -4.658 5.630 2.869 701 H GLU 81 H GLU 81 -6.758 7.326 6.555 702 HA GLU 81 HA GLU 81 -7.623 8.761 4.324 703 HB2 GLU 81 2HB GLU 81 -7.938 9.423 7.285 704 HB3 GLU 81 3HB GLU 81 -8.829 10.226 5.988 705 HG2 GLU 81 2HG GLU 81 -9.889 8.105 5.364 706 HG3 GLU 81 3HG GLU 81 -8.959 7.258 6.600 707 H GLN 82 H GLN 82 -5.287 9.623 6.847 708 HA GLN 82 HA GLN 82 -4.929 12.339 6.039 709 HB2 GLN 82 2HB GLN 82 -3.193 10.538 7.769 710 HB3 GLN 82 3HB GLN 82 -2.914 12.266 7.545 711 HG2 GLN 82 2HG GLN 82 -5.388 11.016 8.780 712 HG3 GLN 82 3HG GLN 82 -4.071 11.778 9.664 713 HE21 GLN 82 1HE2 GLN 82 -3.896 14.044 9.644 714 HE22 GLN 82 2HE2 GLN 82 -5.190 15.065 9.122 715 H VAL 83 H VAL 83 -3.167 9.305 5.342 716 HA VAL 83 HA VAL 83 -1.033 10.488 3.861 717 HB VAL 83 HB VAL 83 -2.120 7.661 3.438 718 HG11 VAL 83 1HG1 VAL 83 -0.488 8.354 1.718 719 HG12 VAL 83 2HG1 VAL 83 0.213 7.119 2.765 720 HG13 VAL 83 3HG1 VAL 83 0.668 8.811 2.976 721 HG21 VAL 83 3HG2 VAL 83 -0.501 6.914 5.170 722 HG22 VAL 83 1HG2 VAL 83 -1.709 8.015 5.843 723 HG23 VAL 83 2HG2 VAL 83 -0.079 8.597 5.499 724 H VAL 84 H VAL 84 -4.284 9.430 2.910 725 HA VAL 84 HA VAL 84 -3.981 9.832 0.084 726 HB VAL 84 HB VAL 84 -6.547 9.728 1.741 727 HG11 VAL 84 1HG1 VAL 84 -7.687 9.228 -0.421 728 HG12 VAL 84 2HG1 VAL 84 -6.172 9.529 -1.274 729 HG13 VAL 84 3HG1 VAL 84 -6.972 10.840 -0.403 730 HG21 VAL 84 3HG2 VAL 84 -5.183 7.531 0.131 731 HG22 VAL 84 1HG2 VAL 84 -6.730 7.381 0.973 732 HG23 VAL 84 2HG2 VAL 84 -5.244 7.632 1.890 733 H LYS 85 H LYS 85 -5.348 11.811 2.719 734 HA LYS 85 HA LYS 85 -6.182 14.001 1.111 735 HB2 LYS 85 2HB LYS 85 -5.654 13.814 4.106 736 HB3 LYS 85 3HB LYS 85 -6.341 15.238 3.324 737 HG2 LYS 85 2HG LYS 85 -8.285 13.936 2.585 738 HG3 LYS 85 3HG LYS 85 -7.593 12.471 3.270 739 HD2 LYS 85 2HD LYS 85 -9.194 13.133 4.863 740 HD3 LYS 85 3HD LYS 85 -7.670 13.694 5.548 741 HE2 LYS 85 2HE LYS 85 -9.576 15.461 3.976 742 HE3 LYS 85 3HE LYS 85 -9.587 15.317 5.731 743 HZ1 LYS 85 3HZ LYS 85 -7.379 16.219 5.812 744 HZ2 LYS 85 1HZ LYS 85 -8.381 17.267 4.946 745 HZ3 LYS 85 2HZ LYS 85 -7.283 16.281 4.128 746 H ASP 86 H ASP 86 -3.117 13.077 2.423 747 HA ASP 86 HA ASP 86 -1.779 15.577 2.071 748 HB2 ASP 86 2HB ASP 86 -0.783 13.909 3.544 749 HB3 ASP 86 3HB ASP 86 -0.728 12.721 2.246 750 H VAL 87 H VAL 87 -1.869 12.546 0.123 751 HA VAL 87 HA VAL 87 -0.121 13.599 -1.897 752 HB VAL 87 HB VAL 87 -1.788 11.043 -1.761 753 HG11 VAL 87 1HG1 VAL 87 0.285 11.805 -3.851 754 HG12 VAL 87 2HG1 VAL 87 -1.440 11.560 -4.131 755 HG13 VAL 87 3HG1 VAL 87 -0.419 10.199 -3.666 756 HG21 VAL 87 3HG2 VAL 87 0.027 11.186 -0.099 757 HG22 VAL 87 1HG2 VAL 87 1.192 11.527 -1.381 758 HG23 VAL 87 2HG2 VAL 87 0.397 9.951 -1.307 759 H LYS 88 H LYS 88 -3.573 12.740 -1.897 760 HA LYS 88 HA LYS 88 -4.024 13.626 -4.595 761 HB2 LYS 88 2HB LYS 88 -5.187 11.698 -3.209 762 HB3 LYS 88 3HB LYS 88 -6.223 12.974 -2.596 763 HG2 LYS 88 2HG LYS 88 -5.890 12.345 -5.552 764 HG3 LYS 88 3HG LYS 88 -7.123 11.597 -4.538 765 HD2 LYS 88 2HD LYS 88 -6.887 14.568 -5.203 766 HD3 LYS 88 3HD LYS 88 -8.082 13.434 -5.845 767 HE2 LYS 88 2HE LYS 88 -8.913 13.090 -3.495 768 HE3 LYS 88 3HE LYS 88 -7.811 14.362 -2.966 769 HZ1 LYS 88 3HZ LYS 88 -10.058 15.160 -3.321 770 HZ2 LYS 88 1HZ LYS 88 -9.993 14.686 -4.941 771 HZ3 LYS 88 2HZ LYS 88 -8.973 15.908 -4.377 772 H GLY 89 H GLY 89 -4.568 14.864 -1.317 773 HA2 GLY 89 2HA GLY 89 -5.997 17.242 -2.052 774 HA3 GLY 89 3HA GLY 89 -5.222 16.912 -0.506 775 H SER 90 H SER 90 -2.875 17.229 -0.347 776 HA SER 90 HA SER 90 -1.036 18.539 -0.408 777 HB2 SER 90 2HB SER 90 -1.481 18.632 -3.426 778 HB3 SER 90 3HB SER 90 0.040 18.936 -2.582 779 HG SER 90 HG SER 90 -1.334 16.489 -2.292 780 H GLY 91 H GLY 91 -3.589 19.852 0.003 781 HA2 GLY 91 2HA GLY 91 -3.806 22.283 -1.474 782 HA3 GLY 91 3HA GLY 91 -4.689 21.857 -0.023 783 H LEU 92 H LEU 92 -1.599 21.512 0.996 784 HA LEU 92 HA LEU 92 -1.462 23.937 2.437 785 HB2 LEU 92 2HB LEU 92 0.705 23.298 3.223 786 HB3 LEU 92 3HB LEU 92 -0.286 21.855 3.161 787 HG LEU 92 HG LEU 92 1.779 22.520 1.013 788 HD11 LEU 92 1HD1 LEU 92 2.186 20.779 3.461 789 HD12 LEU 92 2HD1 LEU 92 2.946 22.342 3.150 790 HD13 LEU 92 3HD1 LEU 92 3.318 20.967 2.114 791 HD21 LEU 92 3HD2 LEU 92 0.450 19.890 1.732 792 HD22 LEU 92 1HD2 LEU 92 1.663 20.135 0.470 793 HD23 LEU 92 2HD2 LEU 92 0.077 20.890 0.324 794 H GLU 93 H GLU 93 -0.110 22.956 -0.668 795 HA GLU 93 HA GLU 93 0.007 25.601 -1.671 796 HB2 GLU 93 2HB GLU 93 2.471 25.723 -2.105 797 HB3 GLU 93 3HB GLU 93 2.080 25.789 -0.390 798 HG2 GLU 93 2HG GLU 93 2.687 23.417 -0.154 799 HG3 GLU 93 3HG GLU 93 3.076 23.339 -1.868 800 H HIS 94 H HIS 94 0.122 25.600 -3.892 801 HA HIS 94 HA HIS 94 0.967 23.186 -5.373 802 HB2 HIS 94 2HB HIS 94 -1.760 24.523 -5.573 803 HB3 HIS 94 3HB HIS 94 -1.087 23.693 -6.965 804 HD1 HIS 94 HD1 HIS 94 -3.532 23.012 -4.670 805 HD2 HIS 94 HD2 HIS 94 -0.154 20.888 -5.786 806 HE1 HIS 94 HE1 HIS 94 -4.034 20.628 -4.134 807 HE2 HIS 94 HE2 HIS 94 -2.068 19.346 -5.033 808 H HIS 95 H HIS 95 1.856 26.085 -4.796 809 HA HIS 95 HA HIS 95 2.851 27.848 -5.741 810 HB2 HIS 95 2HB HIS 95 2.565 26.395 -8.405 811 HB3 HIS 95 3HB HIS 95 3.464 27.892 -8.172 812 HD1 HIS 95 HD1 HIS 95 5.765 27.740 -7.019 813 HD2 HIS 95 HD2 HIS 95 3.809 24.084 -7.332 814 HE1 HIS 95 HE1 HIS 95 7.468 25.996 -6.404 815 HE2 HIS 95 HE2 HIS 95 6.312 23.805 -6.803 816 H HIS 96 H HIS 96 0.137 26.834 -7.838 817 HA HIS 96 HA HIS 96 -1.114 29.500 -7.437 818 HB2 HIS 96 2HB HIS 96 -1.477 27.698 -9.882 819 HB3 HIS 96 3HB HIS 96 -2.100 29.333 -9.660 820 HD1 HIS 96 HD1 HIS 96 0.427 27.691 -11.453 821 HD2 HIS 96 HD2 HIS 96 0.389 31.152 -9.155 822 HE1 HIS 96 HE1 HIS 96 2.437 29.009 -12.176 823 HE2 HIS 96 HE2 HIS 96 2.288 31.161 -10.894 824 H HIS 97 H HIS 97 -3.199 29.455 -6.673 825 HA HIS 97 HA HIS 97 -4.223 27.110 -5.443 826 HB2 HIS 97 2HB HIS 97 -5.591 29.790 -5.958 827 HB3 HIS 97 3HB HIS 97 -6.240 28.521 -4.926 828 HD1 HIS 97 HD1 HIS 97 -4.379 31.558 -4.731 829 HD2 HIS 97 HD2 HIS 97 -4.281 27.933 -2.698 830 HE1 HIS 97 HE1 HIS 97 -3.221 32.029 -2.548 831 HE2 HIS 97 HE2 HIS 97 -3.211 29.831 -1.330 832 H HIS 98 H HIS 98 -4.926 25.424 -6.688 833 HA HIS 98 HA HIS 98 -6.555 25.733 -9.062 834 HB2 HIS 98 2HB HIS 98 -5.798 23.329 -7.357 835 HB3 HIS 98 3HB HIS 98 -6.977 23.190 -8.657 836 HD1 HIS 98 HD1 HIS 98 -5.039 21.418 -9.376 837 HD2 HIS 98 HD2 HIS 98 -4.183 25.448 -9.879 838 HE1 HIS 98 HE1 HIS 98 -3.249 21.506 -11.123 839 HE2 HIS 98 HE2 HIS 98 -2.934 23.951 -11.569 840 H HIS 99 H HIS 99 -8.104 27.160 -8.289 841 HA HIS 99 HA HIS 99 -9.912 26.377 -6.107 842 HB2 HIS 99 2HB HIS 99 -8.901 28.620 -5.985 843 HB3 HIS 99 3HB HIS 99 -9.518 29.025 -7.581 844 HD1 HIS 99 HD1 HIS 99 -12.191 29.252 -7.750 845 HD2 HIS 99 HD2 HIS 99 -10.606 29.191 -3.906 846 HE1 HIS 99 HE1 HIS 99 -13.998 30.143 -6.251 847 HE2 HIS 99 HE2 HIS 99 -12.953 30.250 -3.971 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.928 14.288 -11.171 2 H2 MET 1 2H MET 1 1.156 12.813 -11.444 3 H3 MET 1 3H MET 1 2.237 13.418 -12.590 4 HA MET 1 HA MET 1 3.179 11.623 -11.305 5 HB2 MET 1 2HB MET 1 4.665 13.346 -12.242 6 HB3 MET 1 3HB MET 1 4.433 14.361 -10.828 7 HG2 MET 1 2HG MET 1 5.618 12.725 -9.436 8 HG3 MET 1 3HG MET 1 5.804 11.655 -10.830 9 HE1 MET 1 3HE MET 1 8.445 11.630 -10.176 10 HE2 MET 1 1HE MET 1 8.211 12.828 -8.898 11 HE3 MET 1 2HE MET 1 9.443 13.082 -10.134 12 H GLY 2 H GLY 2 3.498 10.626 -9.341 13 HA2 GLY 2 2HA GLY 2 3.886 10.571 -6.996 14 HA3 GLY 2 3HA GLY 2 3.022 12.089 -6.812 15 H ARG 3 H ARG 3 2.603 8.642 -7.555 16 HA ARG 3 HA ARG 3 -0.260 8.697 -6.938 17 HB2 ARG 3 2HB ARG 3 1.600 6.387 -7.657 18 HB3 ARG 3 3HB ARG 3 -0.132 6.224 -7.412 19 HG2 ARG 3 2HG ARG 3 1.155 7.887 -9.597 20 HG3 ARG 3 3HG ARG 3 0.565 6.240 -9.798 21 HD2 ARG 3 2HD ARG 3 -1.147 7.627 -10.663 22 HD3 ARG 3 3HD ARG 3 -1.732 7.114 -9.079 23 HE ARG 3 HE ARG 3 -0.464 9.759 -9.518 24 HH11 ARG 3 1HH1 ARG 3 -3.163 7.871 -8.255 25 HH12 ARG 3 2HH1 ARG 3 -3.939 9.248 -7.550 26 HH21 ARG 3 1HH2 ARG 3 -1.529 11.542 -8.609 27 HH22 ARG 3 2HH2 ARG 3 -3.016 11.321 -7.753 28 H LEU 4 H LEU 4 -1.183 7.511 -5.170 29 HA LEU 4 HA LEU 4 0.677 6.498 -3.094 30 HB2 LEU 4 2HB LEU 4 -0.942 8.236 -2.341 31 HB3 LEU 4 3HB LEU 4 -2.272 7.225 -2.873 32 HG LEU 4 HG LEU 4 -1.583 5.491 -1.159 33 HD11 LEU 4 1HD1 LEU 4 0.351 7.628 -0.221 34 HD12 LEU 4 2HD1 LEU 4 0.768 6.064 -0.927 35 HD13 LEU 4 3HD1 LEU 4 -0.035 6.134 0.636 36 HD21 LEU 4 3HD2 LEU 4 -3.392 7.069 -0.662 37 HD22 LEU 4 1HD2 LEU 4 -2.227 8.231 -0.019 38 HD23 LEU 4 2HD2 LEU 4 -2.476 6.681 0.793 39 H VAL 5 H VAL 5 0.897 4.345 -3.070 40 HA VAL 5 HA VAL 5 -1.308 2.615 -4.033 41 HB VAL 5 HB VAL 5 1.622 1.864 -3.577 42 HG11 VAL 5 1HG1 VAL 5 0.118 -0.053 -3.193 43 HG12 VAL 5 2HG1 VAL 5 1.025 -0.279 -4.689 44 HG13 VAL 5 3HG1 VAL 5 -0.667 0.231 -4.754 45 HG21 VAL 5 3HG2 VAL 5 0.109 2.274 -6.189 46 HG22 VAL 5 1HG2 VAL 5 1.776 1.705 -6.041 47 HG23 VAL 5 2HG2 VAL 5 1.355 3.343 -5.536 48 H VAL 6 H VAL 6 -2.517 1.760 -2.506 49 HA VAL 6 HA VAL 6 -1.539 1.457 0.261 50 HB VAL 6 HB VAL 6 -4.397 1.200 -0.795 51 HG11 VAL 6 1HG1 VAL 6 -4.025 -0.005 1.316 52 HG12 VAL 6 2HG1 VAL 6 -5.075 1.393 1.572 53 HG13 VAL 6 3HG1 VAL 6 -3.377 1.462 2.055 54 HG21 VAL 6 3HG2 VAL 6 -3.118 3.621 0.533 55 HG22 VAL 6 1HG2 VAL 6 -4.824 3.460 0.111 56 HG23 VAL 6 2HG2 VAL 6 -3.601 3.505 -1.162 57 H VAL 7 H VAL 7 -0.734 -0.532 0.608 58 HA VAL 7 HA VAL 7 -1.609 -2.838 -0.986 59 HB VAL 7 HB VAL 7 0.749 -2.610 0.918 60 HG11 VAL 7 1HG1 VAL 7 0.136 -4.682 -1.206 61 HG12 VAL 7 2HG1 VAL 7 0.075 -4.922 0.542 62 HG13 VAL 7 3HG1 VAL 7 1.620 -4.607 -0.252 63 HG21 VAL 7 3HG2 VAL 7 2.189 -2.298 -1.053 64 HG22 VAL 7 1HG2 VAL 7 1.027 -0.979 -0.894 65 HG23 VAL 7 2HG2 VAL 7 0.763 -2.247 -2.097 66 H VAL 8 H VAL 8 -2.882 -4.321 -0.060 67 HA VAL 8 HA VAL 8 -3.220 -4.398 2.886 68 HB VAL 8 HB VAL 8 -5.630 -4.924 2.533 69 HG11 VAL 8 1HG1 VAL 8 -6.417 -2.665 1.877 70 HG12 VAL 8 2HG1 VAL 8 -4.810 -2.285 1.248 71 HG13 VAL 8 3HG1 VAL 8 -5.036 -2.582 2.973 72 HG21 VAL 8 3HG2 VAL 8 -6.690 -4.628 0.329 73 HG22 VAL 8 1HG2 VAL 8 -5.478 -5.906 0.271 74 HG23 VAL 8 2HG2 VAL 8 -5.118 -4.316 -0.407 75 H THR 9 H THR 9 -3.752 -6.468 3.717 76 HA THR 9 HA THR 9 -3.167 -8.785 1.963 77 HB THR 9 HB THR 9 -2.801 -10.007 4.169 78 HG1 THR 9 HG1 THR 9 -2.327 -8.282 5.901 79 HG21 THR 9 3HG2 THR 9 -1.010 -7.570 3.745 80 HG22 THR 9 1HG2 THR 9 -0.851 -9.115 2.902 81 HG23 THR 9 2HG2 THR 9 -0.583 -9.027 4.643 82 H SER 10 H SER 10 -5.831 -7.170 2.625 83 HA SER 10 HA SER 10 -7.531 -9.577 2.732 84 HB2 SER 10 2HB SER 10 -7.983 -7.116 4.488 85 HB3 SER 10 3HB SER 10 -9.016 -8.541 4.401 86 HG SER 10 HG SER 10 -6.939 -9.673 5.035 87 H GLU 11 H GLU 11 -9.184 -9.479 1.344 88 HA GLU 11 HA GLU 11 -9.459 -7.542 -0.667 89 HB2 GLU 11 2HB GLU 11 -11.559 -9.568 0.247 90 HB3 GLU 11 3HB GLU 11 -11.616 -8.657 -1.253 91 HG2 GLU 11 2HG GLU 11 -10.879 -10.783 -1.896 92 HG3 GLU 11 3HG GLU 11 -9.420 -9.799 -1.882 93 H GLN 12 H GLN 12 -11.168 -7.980 2.373 94 HA GLN 12 HA GLN 12 -13.242 -6.098 2.060 95 HB2 GLN 12 2HB GLN 12 -11.926 -7.194 4.583 96 HB3 GLN 12 3HB GLN 12 -13.410 -6.243 4.576 97 HG2 GLN 12 2HG GLN 12 -14.536 -7.979 3.246 98 HG3 GLN 12 3HG GLN 12 -13.052 -8.932 3.213 99 HE21 GLN 12 1HE2 GLN 12 -12.375 -9.980 5.131 100 HE22 GLN 12 2HE2 GLN 12 -13.451 -10.236 6.457 101 H LEU 13 H LEU 13 -9.955 -5.791 3.402 102 HA LEU 13 HA LEU 13 -10.156 -3.062 4.196 103 HB2 LEU 13 2HB LEU 13 -7.707 -4.748 3.517 104 HB3 LEU 13 3HB LEU 13 -7.625 -3.131 4.202 105 HG LEU 13 HG LEU 13 -8.857 -5.555 5.578 106 HD11 LEU 13 1HD1 LEU 13 -6.925 -5.478 7.082 107 HD12 LEU 13 2HD1 LEU 13 -6.224 -4.161 6.141 108 HD13 LEU 13 3HD1 LEU 13 -6.425 -5.756 5.414 109 HD21 LEU 13 3HD2 LEU 13 -8.989 -4.131 7.580 110 HD22 LEU 13 1HD2 LEU 13 -9.972 -3.485 6.267 111 HD23 LEU 13 2HD2 LEU 13 -8.415 -2.746 6.647 112 H LYS 14 H LYS 14 -9.164 -4.674 1.193 113 HA LYS 14 HA LYS 14 -8.114 -2.518 -0.248 114 HB2 LYS 14 2HB LYS 14 -7.924 -4.873 -0.986 115 HB3 LYS 14 3HB LYS 14 -9.654 -4.934 -1.283 116 HG2 LYS 14 2HG LYS 14 -9.294 -3.090 -3.028 117 HG3 LYS 14 3HG LYS 14 -7.561 -3.353 -2.813 118 HD2 LYS 14 2HD LYS 14 -8.316 -4.601 -4.754 119 HD3 LYS 14 3HD LYS 14 -7.872 -5.740 -3.480 120 HE2 LYS 14 2HE LYS 14 -10.252 -6.054 -2.913 121 HE3 LYS 14 3HE LYS 14 -10.712 -4.865 -4.137 122 HZ1 LYS 14 3HZ LYS 14 -9.367 -7.462 -4.649 123 HZ2 LYS 14 1HZ LYS 14 -9.751 -6.316 -5.827 124 HZ3 LYS 14 2HZ LYS 14 -10.982 -7.096 -4.975 125 H GLU 15 H GLU 15 -11.384 -3.882 -0.416 126 HA GLU 15 HA GLU 15 -12.419 -1.920 -2.189 127 HB2 GLU 15 2HB GLU 15 -14.552 -3.065 -1.906 128 HB3 GLU 15 3HB GLU 15 -13.264 -4.255 -2.054 129 HG2 GLU 15 2HG GLU 15 -13.272 -4.471 0.461 130 HG3 GLU 15 3HG GLU 15 -14.695 -3.432 0.492 131 H GLU 16 H GLU 16 -12.117 -2.077 1.290 132 HA GLU 16 HA GLU 16 -14.069 -0.111 1.992 133 HB2 GLU 16 2HB GLU 16 -13.130 -1.712 3.637 134 HB3 GLU 16 3HB GLU 16 -11.540 -0.967 3.470 135 HG2 GLU 16 2HG GLU 16 -12.520 1.186 4.335 136 HG3 GLU 16 3HG GLU 16 -14.042 0.335 4.601 137 H VAL 17 H VAL 17 -10.494 0.071 1.660 138 HA VAL 17 HA VAL 17 -10.165 2.818 1.978 139 HB VAL 17 HB VAL 17 -8.501 0.918 0.250 140 HG11 VAL 17 1HG1 VAL 17 -6.675 2.596 0.419 141 HG12 VAL 17 2HG1 VAL 17 -7.777 3.706 1.237 142 HG13 VAL 17 3HG1 VAL 17 -8.076 3.244 -0.439 143 HG21 VAL 17 3HG2 VAL 17 -7.998 1.904 3.087 144 HG22 VAL 17 1HG2 VAL 17 -6.952 0.816 2.165 145 HG23 VAL 17 2HG2 VAL 17 -8.564 0.291 2.656 146 H ARG 18 H ARG 18 -10.953 0.951 -0.968 147 HA ARG 18 HA ARG 18 -10.997 3.325 -2.629 148 HB2 ARG 18 2HB ARG 18 -11.910 0.526 -3.357 149 HB3 ARG 18 3HB ARG 18 -11.636 1.872 -4.467 150 HG2 ARG 18 2HG ARG 18 -9.196 1.838 -3.431 151 HG3 ARG 18 3HG ARG 18 -9.627 0.184 -2.989 152 HD2 ARG 18 2HD ARG 18 -8.463 0.138 -5.092 153 HD3 ARG 18 3HD ARG 18 -10.163 -0.243 -5.403 154 HE ARG 18 HE ARG 18 -9.297 2.547 -5.709 155 HH11 ARG 18 1HH1 ARG 18 -10.211 -0.447 -7.310 156 HH12 ARG 18 2HH1 ARG 18 -10.488 0.322 -8.833 157 HH21 ARG 18 1HH2 ARG 18 -9.702 3.540 -7.698 158 HH22 ARG 18 2HH2 ARG 18 -10.199 2.587 -9.058 159 H LYS 19 H LYS 19 -13.350 1.688 -0.690 160 HA LYS 19 HA LYS 19 -15.734 2.672 -1.930 161 HB2 LYS 19 2HB LYS 19 -15.768 0.835 -0.264 162 HB3 LYS 19 3HB LYS 19 -15.139 1.912 0.965 163 HG2 LYS 19 2HG LYS 19 -17.423 1.614 1.464 164 HG3 LYS 19 3HG LYS 19 -17.296 3.233 0.785 165 HD2 LYS 19 2HD LYS 19 -18.069 0.912 -1.007 166 HD3 LYS 19 3HD LYS 19 -19.272 1.617 0.070 167 HE2 LYS 19 2HE LYS 19 -18.811 3.851 -0.992 168 HE3 LYS 19 3HE LYS 19 -17.769 3.031 -2.157 169 HZ1 LYS 19 3HZ LYS 19 -20.014 3.398 -3.000 170 HZ2 LYS 19 1HZ LYS 19 -20.657 2.475 -1.741 171 HZ3 LYS 19 2HZ LYS 19 -19.666 1.747 -2.903 172 H LYS 20 H LYS 20 -13.505 3.865 0.501 173 HA LYS 20 HA LYS 20 -14.919 6.369 0.920 174 HB2 LYS 20 2HB LYS 20 -12.231 5.420 1.995 175 HB3 LYS 20 3HB LYS 20 -13.141 6.824 2.556 176 HG2 LYS 20 2HG LYS 20 -14.994 5.281 3.264 177 HG3 LYS 20 3HG LYS 20 -13.979 3.911 2.800 178 HD2 LYS 20 2HD LYS 20 -13.847 4.268 5.219 179 HD3 LYS 20 3HD LYS 20 -12.282 4.616 4.477 180 HE2 LYS 20 2HE LYS 20 -12.700 7.015 4.622 181 HE3 LYS 20 3HE LYS 20 -14.340 6.730 5.208 182 HZ1 LYS 20 3HZ LYS 20 -13.401 5.706 7.185 183 HZ2 LYS 20 1HZ LYS 20 -12.860 7.295 7.003 184 HZ3 LYS 20 2HZ LYS 20 -11.838 6.007 6.626 185 H PHE 21 H PHE 21 -12.180 5.148 -0.936 186 HA PHE 21 HA PHE 21 -11.746 7.791 -2.179 187 HB2 PHE 21 2HB PHE 21 -9.387 6.064 -1.311 188 HB3 PHE 21 3HB PHE 21 -9.343 7.696 -1.963 189 HD1 PHE 21 HD1 PHE 21 -10.332 9.602 -0.515 190 HD2 PHE 21 HD2 PHE 21 -9.432 5.710 1.028 191 HE1 PHE 21 HE1 PHE 21 -10.289 10.503 1.775 192 HE2 PHE 21 HE2 PHE 21 -9.396 6.629 3.303 193 HZ PHE 21 HZ PHE 21 -9.805 9.007 3.675 194 HA PRO 22 HA PRO 22 -11.967 4.376 -5.398 195 HB2 PRO 22 2HB PRO 22 -13.408 5.842 -7.246 196 HB3 PRO 22 3HB PRO 22 -14.171 4.938 -5.920 197 HG2 PRO 22 2HG PRO 22 -13.521 7.876 -6.055 198 HG3 PRO 22 3HG PRO 22 -15.016 7.077 -5.511 199 HD2 PRO 22 2HD PRO 22 -13.173 7.968 -3.738 200 HD3 PRO 22 3HD PRO 22 -14.117 6.492 -3.436 201 H GLN 23 H GLN 23 -10.543 7.449 -5.155 202 HA GLN 23 HA GLN 23 -9.416 7.624 -7.824 203 HB2 GLN 23 2HB GLN 23 -8.274 9.637 -7.043 204 HB3 GLN 23 3HB GLN 23 -9.961 9.704 -6.571 205 HG2 GLN 23 2HG GLN 23 -7.970 8.684 -4.555 206 HG3 GLN 23 3HG GLN 23 -8.001 10.407 -4.903 207 HE21 GLN 23 1HE2 GLN 23 -8.556 10.624 -2.648 208 HE22 GLN 23 2HE2 GLN 23 -10.195 10.423 -2.141 209 H VAL 24 H VAL 24 -8.412 6.361 -4.674 210 HA VAL 24 HA VAL 24 -5.582 6.316 -5.407 211 HB VAL 24 HB VAL 24 -5.126 5.376 -3.192 212 HG11 VAL 24 1HG1 VAL 24 -5.356 7.815 -3.387 213 HG12 VAL 24 2HG1 VAL 24 -5.872 7.260 -1.795 214 HG13 VAL 24 3HG1 VAL 24 -7.078 7.702 -3.009 215 HG21 VAL 24 3HG2 VAL 24 -6.907 4.977 -1.521 216 HG22 VAL 24 1HG2 VAL 24 -7.077 3.903 -2.914 217 HG23 VAL 24 2HG2 VAL 24 -8.134 5.306 -2.747 218 H GLU 25 H GLU 25 -4.330 4.416 -5.443 219 HA GLU 25 HA GLU 25 -5.681 2.113 -6.675 220 HB2 GLU 25 2HB GLU 25 -2.741 2.920 -6.639 221 HB3 GLU 25 3HB GLU 25 -3.408 1.540 -7.514 222 HG2 GLU 25 2HG GLU 25 -4.680 3.010 -8.966 223 HG3 GLU 25 3HG GLU 25 -4.186 4.426 -8.033 224 H VAL 26 H VAL 26 -5.959 0.336 -5.456 225 HA VAL 26 HA VAL 26 -4.188 -0.094 -3.119 226 HB VAL 26 HB VAL 26 -7.119 -0.932 -3.326 227 HG11 VAL 26 1HG1 VAL 26 -5.159 -1.050 -0.999 228 HG12 VAL 26 2HG1 VAL 26 -5.829 -2.432 -1.869 229 HG13 VAL 26 3HG1 VAL 26 -6.881 -1.410 -0.889 230 HG21 VAL 26 3HG2 VAL 26 -6.939 1.513 -3.179 231 HG22 VAL 26 1HG2 VAL 26 -5.861 1.371 -1.788 232 HG23 VAL 26 2HG2 VAL 26 -7.543 0.856 -1.655 233 H ARG 27 H ARG 27 -2.902 -1.739 -3.365 234 HA ARG 27 HA ARG 27 -3.398 -3.903 -5.279 235 HB2 ARG 27 2HB ARG 27 -0.978 -2.924 -3.713 236 HB3 ARG 27 3HB ARG 27 -0.960 -4.485 -4.523 237 HG2 ARG 27 2HG ARG 27 -1.449 -1.840 -5.928 238 HG3 ARG 27 3HG ARG 27 0.117 -2.652 -5.826 239 HD2 ARG 27 2HD ARG 27 -2.385 -3.755 -7.156 240 HD3 ARG 27 3HD ARG 27 -0.959 -3.112 -7.979 241 HE ARG 27 HE ARG 27 0.326 -4.975 -7.056 242 HH11 ARG 27 1HH1 ARG 27 -3.166 -5.388 -7.135 243 HH12 ARG 27 2HH1 ARG 27 -3.086 -7.119 -7.097 244 HH21 ARG 27 1HH2 ARG 27 0.421 -7.250 -6.966 245 HH22 ARG 27 2HH2 ARG 27 -1.048 -8.170 -7.000 246 H LEU 28 H LEU 28 -4.136 -5.844 -4.596 247 HA LEU 28 HA LEU 28 -4.267 -6.520 -1.759 248 HB2 LEU 28 2HB LEU 28 -6.225 -6.960 -3.176 249 HB3 LEU 28 3HB LEU 28 -5.264 -7.964 -4.250 250 HG LEU 28 HG LEU 28 -4.943 -9.614 -2.372 251 HD11 LEU 28 1HD1 LEU 28 -6.891 -7.865 -0.848 252 HD12 LEU 28 2HD1 LEU 28 -5.186 -8.122 -0.463 253 HD13 LEU 28 3HD1 LEU 28 -6.324 -9.463 -0.353 254 HD21 LEU 28 3HD2 LEU 28 -7.833 -9.013 -3.061 255 HD22 LEU 28 1HD2 LEU 28 -7.219 -10.540 -2.420 256 HD23 LEU 28 2HD2 LEU 28 -6.706 -9.987 -4.012 257 H VAL 29 H VAL 29 -3.076 -8.127 -0.795 258 HA VAL 29 HA VAL 29 -1.156 -9.705 -2.394 259 HB VAL 29 HB VAL 29 -0.663 -8.385 0.315 260 HG11 VAL 29 1HG1 VAL 29 1.575 -9.463 0.321 261 HG12 VAL 29 2HG1 VAL 29 1.131 -10.389 -1.114 262 HG13 VAL 29 3HG1 VAL 29 0.280 -10.660 0.408 263 HG21 VAL 29 3HG2 VAL 29 -0.301 -6.901 -1.616 264 HG22 VAL 29 1HG2 VAL 29 0.787 -8.088 -2.344 265 HG23 VAL 29 2HG2 VAL 29 1.235 -7.286 -0.835 266 H THR 30 H THR 30 -2.086 -11.639 -2.451 267 HA THR 30 HA THR 30 -3.154 -12.886 0.003 268 HB THR 30 HB THR 30 -3.913 -14.701 -1.673 269 HG1 THR 30 HG1 THR 30 -2.431 -13.796 -3.382 270 HG21 THR 30 3HG2 THR 30 -5.514 -13.053 -0.756 271 HG22 THR 30 1HG2 THR 30 -5.883 -13.418 -2.444 272 HG23 THR 30 2HG2 THR 30 -5.075 -11.906 -2.025 273 H THR 31 H THR 31 -0.583 -13.062 -2.358 274 HA THR 31 HA THR 31 0.905 -14.999 -0.686 275 HB THR 31 HB THR 31 1.873 -16.049 -2.733 276 HG1 THR 31 HG1 THR 31 0.169 -14.209 -4.030 277 HG21 THR 31 3HG2 THR 31 -0.059 -17.372 -3.474 278 HG22 THR 31 1HG2 THR 31 -1.167 -16.174 -2.793 279 HG23 THR 31 2HG2 THR 31 -0.136 -17.132 -1.728 280 H GLU 32 H GLU 32 3.319 -14.891 -1.264 281 HA GLU 32 HA GLU 32 4.357 -12.271 -1.111 282 HB2 GLU 32 2HB GLU 32 5.626 -14.274 -0.318 283 HB3 GLU 32 3HB GLU 32 5.816 -14.810 -1.986 284 HG2 GLU 32 2HG GLU 32 7.049 -12.591 -2.417 285 HG3 GLU 32 3HG GLU 32 7.060 -12.363 -0.671 286 H GLU 33 H GLU 33 3.655 -14.379 -3.880 287 HA GLU 33 HA GLU 33 5.031 -13.207 -5.976 288 HB2 GLU 33 2HB GLU 33 2.181 -14.301 -6.046 289 HB3 GLU 33 3HB GLU 33 3.173 -13.985 -7.470 290 HG2 GLU 33 2HG GLU 33 4.796 -15.694 -6.708 291 HG3 GLU 33 3HG GLU 33 3.779 -16.018 -5.300 292 H ASP 34 H ASP 34 1.813 -12.303 -4.711 293 HA ASP 34 HA ASP 34 1.232 -10.124 -6.349 294 HB2 ASP 34 2HB ASP 34 0.470 -10.515 -3.418 295 HB3 ASP 34 3HB ASP 34 -0.251 -9.315 -4.488 296 H ALA 35 H ALA 35 2.895 -10.208 -3.196 297 HA ALA 35 HA ALA 35 3.228 -7.447 -2.804 298 HB1 ALA 35 3HB ALA 35 4.874 -8.072 -1.085 299 HB2 ALA 35 1HB ALA 35 4.933 -9.721 -1.724 300 HB3 ALA 35 2HB ALA 35 3.448 -9.103 -0.999 301 H LYS 36 H LYS 36 5.359 -9.809 -4.393 302 HA LYS 36 HA LYS 36 7.557 -8.101 -4.931 303 HB2 LYS 36 2HB LYS 36 6.605 -10.596 -6.405 304 HB3 LYS 36 3HB LYS 36 8.186 -9.841 -6.617 305 HG2 LYS 36 2HG LYS 36 8.803 -10.361 -4.317 306 HG3 LYS 36 3HG LYS 36 7.179 -10.972 -3.986 307 HD2 LYS 36 2HD LYS 36 8.727 -12.844 -4.329 308 HD3 LYS 36 3HD LYS 36 7.527 -12.802 -5.623 309 HE2 LYS 36 2HE LYS 36 9.175 -11.758 -7.134 310 HE3 LYS 36 3HE LYS 36 10.371 -11.739 -5.833 311 HZ1 LYS 36 3HZ LYS 36 10.385 -14.120 -5.804 312 HZ2 LYS 36 1HZ LYS 36 10.645 -13.599 -7.392 313 HZ3 LYS 36 2HZ LYS 36 9.135 -14.203 -6.938 314 H GLN 37 H GLN 37 4.643 -8.957 -6.761 315 HA GLN 37 HA GLN 37 5.181 -7.463 -9.116 316 HB2 GLN 37 2HB GLN 37 2.555 -8.459 -7.935 317 HB3 GLN 37 3HB GLN 37 2.695 -7.739 -9.537 318 HG2 GLN 37 2HG GLN 37 4.087 -9.556 -10.314 319 HG3 GLN 37 3HG GLN 37 4.211 -10.229 -8.690 320 HE21 GLN 37 1HE2 GLN 37 3.260 -11.537 -11.118 321 HE22 GLN 37 2HE2 GLN 37 1.642 -12.049 -10.783 322 H VAL 38 H VAL 38 3.772 -6.616 -6.003 323 HA VAL 38 HA VAL 38 2.784 -4.037 -6.686 324 HB VAL 38 HB VAL 38 3.705 -5.078 -3.956 325 HG11 VAL 38 1HG1 VAL 38 2.022 -2.632 -4.625 326 HG12 VAL 38 2HG1 VAL 38 3.673 -2.614 -3.997 327 HG13 VAL 38 3HG1 VAL 38 2.359 -3.234 -3.001 328 HG21 VAL 38 3HG2 VAL 38 0.914 -4.942 -5.156 329 HG22 VAL 38 1HG2 VAL 38 1.284 -5.417 -3.496 330 HG23 VAL 38 2HG2 VAL 38 1.838 -6.404 -4.843 331 H ILE 39 H ILE 39 5.915 -5.195 -5.360 332 HA ILE 39 HA ILE 39 7.290 -2.789 -5.034 333 HB ILE 39 HB ILE 39 8.403 -5.467 -6.004 334 HG12 ILE 39 2HG1 ILE 39 8.334 -4.296 -3.184 335 HG13 ILE 39 3HG1 ILE 39 7.259 -5.552 -3.778 336 HG21 ILE 39 1HG2 ILE 39 9.996 -3.664 -6.523 337 HG22 ILE 39 2HG2 ILE 39 10.621 -4.688 -5.231 338 HG23 ILE 39 3HG2 ILE 39 9.934 -3.108 -4.849 339 HD11 ILE 39 3HD1 ILE 39 9.187 -7.047 -4.076 340 HD12 ILE 39 1HD1 ILE 39 8.998 -6.501 -2.411 341 HD13 ILE 39 2HD1 ILE 39 10.248 -5.790 -3.430 342 H LYS 40 H LYS 40 6.817 -4.751 -7.946 343 HA LYS 40 HA LYS 40 8.329 -3.231 -9.804 344 HB2 LYS 40 2HB LYS 40 5.907 -5.005 -10.342 345 HB3 LYS 40 3HB LYS 40 7.115 -4.502 -11.524 346 HG2 LYS 40 2HG LYS 40 8.842 -5.803 -10.318 347 HG3 LYS 40 3HG LYS 40 7.636 -6.292 -9.126 348 HD2 LYS 40 2HD LYS 40 7.979 -8.091 -10.741 349 HD3 LYS 40 3HD LYS 40 6.348 -7.437 -10.910 350 HE2 LYS 40 2HE LYS 40 7.337 -7.837 -13.112 351 HE3 LYS 40 3HE LYS 40 7.103 -6.107 -12.871 352 HZ1 LYS 40 3HZ LYS 40 9.460 -5.934 -12.291 353 HZ2 LYS 40 1HZ LYS 40 9.251 -6.556 -13.849 354 HZ3 LYS 40 2HZ LYS 40 9.660 -7.583 -12.575 355 H GLU 41 H GLU 41 4.858 -3.281 -9.023 356 HA GLU 41 HA GLU 41 3.740 -1.506 -10.828 357 HB2 GLU 41 2HB GLU 41 2.540 -2.997 -9.190 358 HB3 GLU 41 3HB GLU 41 3.041 -1.944 -7.880 359 HG2 GLU 41 2HG GLU 41 0.759 -1.470 -8.323 360 HG3 GLU 41 3HG GLU 41 1.698 -0.107 -8.933 361 H ILE 42 H ILE 42 5.024 -0.876 -7.616 362 HA ILE 42 HA ILE 42 4.713 1.872 -7.367 363 HB ILE 42 HB ILE 42 6.775 -0.022 -6.153 364 HG12 ILE 42 2HG1 ILE 42 4.250 1.112 -4.852 365 HG13 ILE 42 3HG1 ILE 42 4.300 -0.453 -5.653 366 HG21 ILE 42 1HG2 ILE 42 7.594 2.304 -6.022 367 HG22 ILE 42 2HG2 ILE 42 7.194 1.662 -4.428 368 HG23 ILE 42 3HG2 ILE 42 6.095 2.779 -5.227 369 HD11 ILE 42 3HD1 ILE 42 5.908 0.338 -3.222 370 HD12 ILE 42 1HD1 ILE 42 5.975 -1.228 -4.039 371 HD13 ILE 42 2HD1 ILE 42 4.485 -0.701 -3.257 372 H GLN 43 H GLN 43 7.531 -0.009 -8.558 373 HA GLN 43 HA GLN 43 9.314 2.156 -8.915 374 HB2 GLN 43 2HB GLN 43 9.263 -0.651 -10.092 375 HB3 GLN 43 3HB GLN 43 10.570 0.482 -10.434 376 HG2 GLN 43 2HG GLN 43 11.142 0.594 -8.059 377 HG3 GLN 43 3HG GLN 43 9.786 -0.463 -7.661 378 HE21 GLN 43 1HE2 GLN 43 11.237 -1.940 -6.684 379 HE22 GLN 43 2HE2 GLN 43 12.226 -2.988 -7.633 380 H LYS 44 H LYS 44 6.996 0.641 -11.131 381 HA LYS 44 HA LYS 44 7.989 1.922 -13.496 382 HB2 LYS 44 2HB LYS 44 5.330 0.517 -13.018 383 HB3 LYS 44 3HB LYS 44 5.941 1.006 -14.598 384 HG2 LYS 44 2HG LYS 44 7.158 -1.055 -12.738 385 HG3 LYS 44 3HG LYS 44 6.336 -1.364 -14.269 386 HD2 LYS 44 2HD LYS 44 8.144 -0.189 -15.490 387 HD3 LYS 44 3HD LYS 44 8.953 0.179 -13.962 388 HE2 LYS 44 2HE LYS 44 10.041 -1.720 -15.013 389 HE3 LYS 44 3HE LYS 44 9.217 -2.266 -13.553 390 HZ1 LYS 44 3HZ LYS 44 7.395 -3.055 -14.954 391 HZ2 LYS 44 1HZ LYS 44 8.859 -3.791 -15.366 392 HZ3 LYS 44 2HZ LYS 44 8.228 -2.562 -16.335 393 H LYS 45 H LYS 45 5.245 2.590 -11.309 394 HA LYS 45 HA LYS 45 4.409 4.930 -12.811 395 HB2 LYS 45 2HB LYS 45 3.591 3.935 -10.054 396 HB3 LYS 45 3HB LYS 45 2.820 5.273 -10.913 397 HG2 LYS 45 2HG LYS 45 2.150 3.727 -12.729 398 HG3 LYS 45 3HG LYS 45 2.920 2.386 -11.872 399 HD2 LYS 45 2HD LYS 45 0.551 4.021 -10.878 400 HD3 LYS 45 3HD LYS 45 0.482 2.378 -11.526 401 HE2 LYS 45 2HE LYS 45 2.054 1.701 -9.622 402 HE3 LYS 45 3HE LYS 45 1.760 3.300 -8.932 403 HZ1 LYS 45 3HZ LYS 45 -0.319 1.284 -9.542 404 HZ2 LYS 45 1HZ LYS 45 -0.577 2.800 -8.854 405 HZ3 LYS 45 2HZ LYS 45 0.294 1.629 -8.005 406 H GLY 46 H GLY 46 6.730 4.289 -10.346 407 HA2 GLY 46 2HA GLY 46 8.304 5.646 -9.337 408 HA3 GLY 46 3HA GLY 46 7.683 7.010 -10.256 409 H VAL 47 H VAL 47 6.166 4.825 -7.929 410 HA VAL 47 HA VAL 47 4.608 6.885 -6.691 411 HB VAL 47 HB VAL 47 5.100 3.994 -5.844 412 HG11 VAL 47 1HG1 VAL 47 2.863 5.845 -4.982 413 HG12 VAL 47 2HG1 VAL 47 4.212 5.329 -3.971 414 HG13 VAL 47 3HG1 VAL 47 3.032 4.145 -4.536 415 HG21 VAL 47 3HG2 VAL 47 2.998 3.462 -6.978 416 HG22 VAL 47 1HG2 VAL 47 4.161 4.153 -8.108 417 HG23 VAL 47 2HG2 VAL 47 2.830 5.141 -7.495 418 H GLN 48 H GLN 48 5.014 7.922 -4.766 419 HA GLN 48 HA GLN 48 7.813 7.819 -3.831 420 HB2 GLN 48 2HB GLN 48 5.701 10.020 -3.669 421 HB3 GLN 48 3HB GLN 48 7.349 10.159 -3.050 422 HG2 GLN 48 2HG GLN 48 8.273 9.908 -5.284 423 HG3 GLN 48 3HG GLN 48 6.680 9.584 -5.957 424 HE21 GLN 48 1HE2 GLN 48 8.641 11.624 -6.666 425 HE22 GLN 48 2HE2 GLN 48 7.810 13.135 -6.533 426 H LYS 49 H LYS 49 4.472 8.001 -2.561 427 HA LYS 49 HA LYS 49 5.423 6.874 0.021 428 HB2 LYS 49 2HB LYS 49 2.918 8.526 -0.532 429 HB3 LYS 49 3HB LYS 49 3.367 7.842 1.030 430 HG2 LYS 49 2HG LYS 49 5.412 9.265 1.046 431 HG3 LYS 49 3HG LYS 49 4.907 9.985 -0.487 432 HD2 LYS 49 2HD LYS 49 3.356 10.127 2.137 433 HD3 LYS 49 3HD LYS 49 4.334 11.427 1.453 434 HE2 LYS 49 2HE LYS 49 1.835 10.234 0.190 435 HE3 LYS 49 3HE LYS 49 1.953 11.802 0.993 436 HZ1 LYS 49 3HZ LYS 49 3.528 12.514 -0.685 437 HZ2 LYS 49 1HZ LYS 49 2.077 12.026 -1.400 438 HZ3 LYS 49 2HZ LYS 49 3.427 11.015 -1.462 439 H VAL 50 H VAL 50 4.622 4.937 0.637 440 HA VAL 50 HA VAL 50 2.254 3.770 -0.718 441 HB VAL 50 HB VAL 50 4.854 2.316 0.025 442 HG11 VAL 50 1HG1 VAL 50 3.839 0.274 -0.928 443 HG12 VAL 50 2HG1 VAL 50 2.317 1.135 -1.174 444 HG13 VAL 50 3HG1 VAL 50 2.915 0.851 0.462 445 HG21 VAL 50 3HG2 VAL 50 5.091 1.897 -2.392 446 HG22 VAL 50 1HG2 VAL 50 5.041 3.629 -2.057 447 HG23 VAL 50 2HG2 VAL 50 3.617 2.814 -2.710 448 H VAL 51 H VAL 51 0.723 3.188 0.714 449 HA VAL 51 HA VAL 51 1.271 3.084 3.599 450 HB VAL 51 HB VAL 51 -1.364 2.907 2.045 451 HG11 VAL 51 1HG1 VAL 51 -1.564 1.662 4.151 452 HG12 VAL 51 2HG1 VAL 51 -2.495 3.158 4.242 453 HG13 VAL 51 3HG1 VAL 51 -0.931 3.041 5.054 454 HG21 VAL 51 3HG2 VAL 51 -1.815 5.165 2.948 455 HG22 VAL 51 1HG2 VAL 51 -0.368 5.145 1.936 456 HG23 VAL 51 2HG2 VAL 51 -0.214 5.186 3.693 457 H LEU 52 H LEU 52 1.550 1.129 4.613 458 HA LEU 52 HA LEU 52 0.682 -1.349 3.241 459 HB2 LEU 52 2HB LEU 52 2.870 -0.923 5.314 460 HB3 LEU 52 3HB LEU 52 2.368 -2.494 4.709 461 HG LEU 52 HG LEU 52 3.722 -0.287 3.098 462 HD11 LEU 52 1HD1 LEU 52 5.244 -1.549 4.552 463 HD12 LEU 52 2HD1 LEU 52 5.564 -1.856 2.849 464 HD13 LEU 52 3HD1 LEU 52 4.706 -3.061 3.817 465 HD21 LEU 52 3HD2 LEU 52 2.740 -2.970 2.119 466 HD22 LEU 52 1HD2 LEU 52 3.744 -1.837 1.207 467 HD23 LEU 52 2HD2 LEU 52 2.109 -1.382 1.673 468 H VAL 53 H VAL 53 -1.050 -2.244 4.050 469 HA VAL 53 HA VAL 53 -2.033 -1.639 6.769 470 HB VAL 53 HB VAL 53 -3.696 -2.442 4.330 471 HG11 VAL 53 1HG1 VAL 53 -4.585 -1.289 7.000 472 HG12 VAL 53 2HG1 VAL 53 -4.792 -2.961 6.473 473 HG13 VAL 53 3HG1 VAL 53 -5.642 -1.661 5.633 474 HG21 VAL 53 3HG2 VAL 53 -2.662 -0.270 3.870 475 HG22 VAL 53 1HG2 VAL 53 -3.254 0.362 5.408 476 HG23 VAL 53 2HG2 VAL 53 -4.396 -0.078 4.136 477 H GLY 54 H GLY 54 -1.701 -3.329 8.065 478 HA2 GLY 54 2HA GLY 54 -1.936 -5.382 9.030 479 HA3 GLY 54 3HA GLY 54 -3.020 -5.804 7.718 480 H VAL 55 H VAL 55 0.301 -4.863 7.029 481 HA VAL 55 HA VAL 55 0.788 -7.501 5.832 482 HB VAL 55 HB VAL 55 2.714 -6.530 4.730 483 HG11 VAL 55 1HG1 VAL 55 0.419 -4.530 4.649 484 HG12 VAL 55 2HG1 VAL 55 0.555 -6.005 3.689 485 HG13 VAL 55 3HG1 VAL 55 1.693 -4.680 3.431 486 HG21 VAL 55 3HG2 VAL 55 3.502 -4.211 5.115 487 HG22 VAL 55 1HG2 VAL 55 3.652 -5.200 6.570 488 HG23 VAL 55 2HG2 VAL 55 2.335 -4.033 6.430 489 H SER 56 H SER 56 3.040 -8.459 6.162 490 HA SER 56 HA SER 56 3.615 -8.685 9.008 491 HB2 SER 56 2HB SER 56 5.204 -10.480 8.243 492 HB3 SER 56 3HB SER 56 3.552 -10.730 7.672 493 HG SER 56 HG SER 56 4.424 -10.816 5.779 494 H GLU 57 H GLU 57 5.896 -8.613 9.768 495 HA GLU 57 HA GLU 57 7.011 -6.070 9.482 496 HB2 GLU 57 2HB GLU 57 8.889 -6.965 10.887 497 HB3 GLU 57 3HB GLU 57 7.294 -7.352 11.528 498 HG2 GLU 57 2HG GLU 57 7.459 -9.637 10.646 499 HG3 GLU 57 3HG GLU 57 9.029 -9.266 9.935 500 H LYS 58 H LYS 58 7.959 -9.123 7.916 501 HA LYS 58 HA LYS 58 10.460 -8.083 6.892 502 HB2 LYS 58 2HB LYS 58 10.239 -10.446 7.582 503 HB3 LYS 58 3HB LYS 58 9.062 -10.721 6.305 504 HG2 LYS 58 2HG LYS 58 10.748 -10.364 4.594 505 HG3 LYS 58 3HG LYS 58 11.924 -9.849 5.796 506 HD2 LYS 58 2HD LYS 58 12.461 -12.100 5.072 507 HD3 LYS 58 3HD LYS 58 11.934 -12.156 6.751 508 HE2 LYS 58 2HE LYS 58 10.039 -12.756 4.462 509 HE3 LYS 58 3HE LYS 58 11.078 -13.994 5.154 510 HZ1 LYS 58 3HZ LYS 58 10.026 -13.550 7.315 511 HZ2 LYS 58 1HZ LYS 58 8.939 -14.108 6.150 512 HZ3 LYS 58 2HZ LYS 58 8.961 -12.473 6.568 513 H LEU 59 H LEU 59 7.202 -8.746 5.568 514 HA LEU 59 HA LEU 59 7.821 -8.021 2.872 515 HB2 LEU 59 2HB LEU 59 5.154 -8.053 4.343 516 HB3 LEU 59 3HB LEU 59 5.309 -7.672 2.633 517 HG LEU 59 HG LEU 59 5.925 -10.349 3.949 518 HD11 LEU 59 1HD1 LEU 59 3.526 -9.884 3.679 519 HD12 LEU 59 2HD1 LEU 59 4.048 -11.191 2.620 520 HD13 LEU 59 3HD1 LEU 59 3.765 -9.579 1.955 521 HD21 LEU 59 3HD2 LEU 59 6.250 -9.564 1.030 522 HD22 LEU 59 1HD2 LEU 59 6.388 -11.202 1.678 523 HD23 LEU 59 2HD2 LEU 59 7.548 -9.967 2.159 524 H LEU 60 H LEU 60 6.924 -6.205 5.759 525 HA LEU 60 HA LEU 60 6.376 -3.722 4.584 526 HB2 LEU 60 2HB LEU 60 5.906 -4.322 6.963 527 HB3 LEU 60 3HB LEU 60 7.618 -4.232 7.313 528 HG LEU 60 HG LEU 60 6.211 -1.769 6.222 529 HD11 LEU 60 1HD1 LEU 60 4.779 -2.499 8.069 530 HD12 LEU 60 2HD1 LEU 60 5.630 -1.009 8.463 531 HD13 LEU 60 3HD1 LEU 60 6.174 -2.544 9.150 532 HD21 LEU 60 3HD2 LEU 60 7.880 -0.526 7.539 533 HD22 LEU 60 1HD2 LEU 60 8.663 -1.662 6.438 534 HD23 LEU 60 2HD2 LEU 60 8.541 -2.044 8.154 535 H GLN 61 H GLN 61 9.390 -4.995 5.944 536 HA GLN 61 HA GLN 61 11.007 -2.778 5.255 537 HB2 GLN 61 2HB GLN 61 11.718 -5.626 6.043 538 HB3 GLN 61 3HB GLN 61 12.909 -4.335 5.871 539 HG2 GLN 61 2HG GLN 61 10.568 -4.286 7.802 540 HG3 GLN 61 3HG GLN 61 12.217 -4.725 8.231 541 HE21 GLN 61 1HE2 GLN 61 10.562 -2.526 9.258 542 HE22 GLN 61 2HE2 GLN 61 11.442 -1.072 8.948 543 H LYS 62 H LYS 62 10.212 -5.758 3.519 544 HA LYS 62 HA LYS 62 12.349 -5.556 1.621 545 HB2 LYS 62 2HB LYS 62 11.326 -7.734 2.126 546 HB3 LYS 62 3HB LYS 62 9.785 -7.193 1.465 547 HG2 LYS 62 2HG LYS 62 10.698 -7.074 -0.778 548 HG3 LYS 62 3HG LYS 62 12.338 -7.335 -0.180 549 HD2 LYS 62 2HD LYS 62 11.429 -9.366 -1.233 550 HD3 LYS 62 3HD LYS 62 11.770 -9.628 0.478 551 HE2 LYS 62 2HE LYS 62 9.348 -9.333 0.978 552 HE3 LYS 62 3HE LYS 62 9.037 -9.119 -0.749 553 HZ1 LYS 62 3HZ LYS 62 10.299 -11.542 0.400 554 HZ2 LYS 62 1HZ LYS 62 9.743 -11.335 -1.175 555 HZ3 LYS 62 2HZ LYS 62 8.641 -11.411 0.103 556 H ILE 63 H ILE 63 8.836 -4.777 1.452 557 HA ILE 63 HA ILE 63 8.848 -3.729 -1.177 558 HB ILE 63 HB ILE 63 6.964 -3.508 1.183 559 HG12 ILE 63 2HG1 ILE 63 5.287 -4.428 -0.426 560 HG13 ILE 63 3HG1 ILE 63 6.466 -4.327 -1.725 561 HG21 ILE 63 1HG2 ILE 63 5.407 -1.999 -0.030 562 HG22 ILE 63 2HG2 ILE 63 6.647 -1.730 -1.254 563 HG23 ILE 63 3HG2 ILE 63 6.921 -1.196 0.404 564 HD11 ILE 63 3HD1 ILE 63 6.198 -6.600 -0.969 565 HD12 ILE 63 1HD1 ILE 63 6.600 -6.134 0.683 566 HD13 ILE 63 2HD1 ILE 63 7.824 -6.037 -0.584 567 H LYS 64 H LYS 64 9.581 -2.295 1.956 568 HA LYS 64 HA LYS 64 9.803 0.419 1.303 569 HB2 LYS 64 2HB LYS 64 9.686 -0.480 3.591 570 HB3 LYS 64 3HB LYS 64 11.247 -1.249 3.407 571 HG2 LYS 64 2HG LYS 64 11.139 1.739 3.111 572 HG3 LYS 64 3HG LYS 64 10.903 1.067 4.726 573 HD2 LYS 64 2HD LYS 64 13.082 -0.195 4.425 574 HD3 LYS 64 3HD LYS 64 13.326 0.701 2.923 575 HE2 LYS 64 2HE LYS 64 13.039 1.940 5.682 576 HE3 LYS 64 3HE LYS 64 14.557 1.688 4.827 577 HZ1 LYS 64 3HZ LYS 64 13.789 3.187 3.094 578 HZ2 LYS 64 1HZ LYS 64 13.799 3.950 4.598 579 HZ3 LYS 64 2HZ LYS 64 12.337 3.436 3.921 580 H GLN 65 H GLN 65 12.404 -2.059 1.457 581 HA GLN 65 HA GLN 65 14.437 -0.191 0.626 582 HB2 GLN 65 2HB GLN 65 16.007 -2.065 0.853 583 HB3 GLN 65 3HB GLN 65 14.949 -1.963 2.251 584 HG2 GLN 65 2HG GLN 65 13.598 -3.839 1.345 585 HG3 GLN 65 3HG GLN 65 14.699 -3.962 -0.022 586 HE21 GLN 65 1HE2 GLN 65 15.728 -3.386 3.329 587 HE22 GLN 65 2HE2 GLN 65 16.511 -4.911 3.518 588 H GLU 66 H GLU 66 12.667 -2.815 -0.972 589 HA GLU 66 HA GLU 66 14.340 -2.924 -3.307 590 HB2 GLU 66 2HB GLU 66 11.616 -4.137 -2.687 591 HB3 GLU 66 3HB GLU 66 12.461 -4.411 -4.207 592 HG2 GLU 66 2HG GLU 66 13.546 -5.154 -1.471 593 HG3 GLU 66 3HG GLU 66 12.709 -6.264 -2.555 594 H ALA 67 H ALA 67 11.199 -1.396 -2.539 595 HA ALA 67 HA ALA 67 10.914 -0.340 -5.253 596 HB1 ALA 67 3HB ALA 67 8.921 -1.099 -4.030 597 HB2 ALA 67 1HB ALA 67 8.814 0.612 -4.446 598 HB3 ALA 67 2HB ALA 67 9.199 0.130 -2.793 599 H ASN 68 H ASN 68 12.140 0.705 -2.163 600 HA ASN 68 HA ASN 68 13.166 2.539 -1.395 601 HB2 ASN 68 2HB ASN 68 14.682 2.354 -3.295 602 HB3 ASN 68 3HB ASN 68 13.548 3.200 -4.342 603 HD21 ASN 68 1HD2 ASN 68 15.163 4.728 -4.878 604 HD22 ASN 68 2HD2 ASN 68 15.640 5.978 -3.784 605 H VAL 69 H VAL 69 11.005 2.917 -0.566 606 HA VAL 69 HA VAL 69 9.852 5.522 -1.402 607 HB VAL 69 HB VAL 69 7.523 4.604 -1.064 608 HG11 VAL 69 1HG1 VAL 69 7.319 3.536 -3.245 609 HG12 VAL 69 2HG1 VAL 69 9.061 3.247 -3.299 610 HG13 VAL 69 3HG1 VAL 69 8.437 4.900 -3.329 611 HG21 VAL 69 3HG2 VAL 69 8.065 2.616 0.295 612 HG22 VAL 69 1HG2 VAL 69 8.892 1.878 -1.080 613 HG23 VAL 69 2HG2 VAL 69 7.147 2.151 -1.138 614 H GLN 70 H GLN 70 8.391 6.460 0.188 615 HA GLN 70 HA GLN 70 9.108 5.995 2.969 616 HB2 GLN 70 2HB GLN 70 7.343 8.059 1.571 617 HB3 GLN 70 3HB GLN 70 7.390 7.918 3.324 618 HG2 GLN 70 2HG GLN 70 8.862 9.708 2.673 619 HG3 GLN 70 3HG GLN 70 9.834 8.373 3.280 620 HE21 GLN 70 1HE2 GLN 70 11.705 9.088 2.222 621 HE22 GLN 70 2HE2 GLN 70 11.900 8.998 0.509 622 H VAL 71 H VAL 71 8.093 4.496 4.102 623 HA VAL 71 HA VAL 71 5.545 3.345 3.161 624 HB VAL 71 HB VAL 71 7.786 2.226 4.907 625 HG11 VAL 71 1HG1 VAL 71 5.123 0.905 4.266 626 HG12 VAL 71 2HG1 VAL 71 5.689 1.394 5.864 627 HG13 VAL 71 3HG1 VAL 71 6.506 0.090 5.003 628 HG21 VAL 71 3HG2 VAL 71 8.012 0.572 3.073 629 HG22 VAL 71 1HG2 VAL 71 8.241 2.224 2.490 630 HG23 VAL 71 2HG2 VAL 71 6.718 1.380 2.186 631 H TYR 72 H TYR 72 3.709 3.542 4.345 632 HA TYR 72 HA TYR 72 3.872 4.514 7.148 633 HB2 TYR 72 2HB TYR 72 1.711 5.121 5.063 634 HB3 TYR 72 3HB TYR 72 1.721 5.691 6.735 635 HD1 TYR 72 HD1 TYR 72 3.429 7.388 7.478 636 HD2 TYR 72 HD2 TYR 72 3.123 6.199 3.382 637 HE1 TYR 72 HE1 TYR 72 4.808 9.315 6.813 638 HE2 TYR 72 HE2 TYR 72 4.493 8.118 2.727 639 HH TYR 72 HH TYR 72 6.316 9.918 4.883 640 H ARG 73 H ARG 73 3.721 2.590 8.176 641 HA ARG 73 HA ARG 73 1.620 0.661 7.713 642 HB2 ARG 73 2HB ARG 73 3.689 -0.094 8.797 643 HB3 ARG 73 3HB ARG 73 3.499 1.094 10.084 644 HG2 ARG 73 2HG ARG 73 1.425 -0.085 10.830 645 HG3 ARG 73 3HG ARG 73 1.692 -1.297 9.577 646 HD2 ARG 73 2HD ARG 73 2.465 -2.107 11.757 647 HD3 ARG 73 3HD ARG 73 3.819 -1.934 10.636 648 HE ARG 73 HE ARG 73 3.349 0.356 12.345 649 HH11 ARG 73 1HH1 ARG 73 5.112 -2.684 12.048 650 HH12 ARG 73 2HH1 ARG 73 6.323 -2.225 13.197 651 HH21 ARG 73 1HH2 ARG 73 4.925 0.931 13.843 652 HH22 ARG 73 2HH2 ARG 73 6.212 -0.164 14.218 653 H VAL 74 H VAL 74 -0.449 1.164 8.141 654 HA VAL 74 HA VAL 74 -1.082 3.295 10.072 655 HB VAL 74 HB VAL 74 -3.334 3.330 9.080 656 HG11 VAL 74 1HG1 VAL 74 -1.118 3.460 6.991 657 HG12 VAL 74 2HG1 VAL 74 -1.599 4.754 8.092 658 HG13 VAL 74 3HG1 VAL 74 -2.715 4.205 6.842 659 HG21 VAL 74 3HG2 VAL 74 -3.897 2.005 7.058 660 HG22 VAL 74 1HG2 VAL 74 -3.614 0.968 8.461 661 HG23 VAL 74 2HG2 VAL 74 -2.373 1.121 7.214 662 H THR 75 H THR 75 -2.071 2.943 11.940 663 HA THR 75 HA THR 75 -2.591 0.243 12.902 664 HB THR 75 HB THR 75 -3.222 1.501 15.047 665 HG1 THR 75 HG1 THR 75 -1.979 3.820 14.178 666 HG21 THR 75 3HG2 THR 75 -0.909 2.132 15.625 667 HG22 THR 75 1HG2 THR 75 -0.456 2.078 13.917 668 HG23 THR 75 2HG2 THR 75 -0.939 0.600 14.752 669 H SER 76 H SER 76 -4.363 3.027 11.784 670 HA SER 76 HA SER 76 -6.909 1.556 11.833 671 HB2 SER 76 2HB SER 76 -6.872 2.955 13.904 672 HB3 SER 76 3HB SER 76 -6.553 4.394 12.934 673 HG SER 76 HG SER 76 -8.672 4.458 13.064 674 H ASN 77 H ASN 77 -8.555 2.709 10.447 675 HA ASN 77 HA ASN 77 -7.473 3.354 7.901 676 HB2 ASN 77 2HB ASN 77 -9.725 2.244 8.299 677 HB3 ASN 77 3HB ASN 77 -10.354 3.806 8.804 678 HD21 ASN 77 1HD2 ASN 77 -9.207 1.914 6.087 679 HD22 ASN 77 2HD2 ASN 77 -9.807 2.958 4.849 680 H ASP 78 H ASP 78 -8.358 5.314 10.660 681 HA ASP 78 HA ASP 78 -8.705 7.869 9.577 682 HB2 ASP 78 2HB ASP 78 -7.285 7.108 12.172 683 HB3 ASP 78 3HB ASP 78 -7.805 8.742 11.768 684 H GLU 79 H GLU 79 -5.724 6.133 10.359 685 HA GLU 79 HA GLU 79 -3.861 8.205 9.828 686 HB2 GLU 79 2HB GLU 79 -3.474 5.184 9.735 687 HB3 GLU 79 3HB GLU 79 -2.182 6.377 9.842 688 HG2 GLU 79 2HG GLU 79 -4.330 5.963 11.945 689 HG3 GLU 79 3HG GLU 79 -2.723 5.243 12.007 690 H LEU 80 H LEU 80 -5.105 5.500 7.926 691 HA LEU 80 HA LEU 80 -3.754 5.807 5.515 692 HB2 LEU 80 2HB LEU 80 -5.047 3.822 6.040 693 HB3 LEU 80 3HB LEU 80 -6.526 4.738 6.187 694 HG LEU 80 HG LEU 80 -6.247 3.216 4.122 695 HD11 LEU 80 1HD1 LEU 80 -7.446 4.671 2.599 696 HD12 LEU 80 2HD1 LEU 80 -7.042 6.070 3.592 697 HD13 LEU 80 3HD1 LEU 80 -8.072 4.794 4.243 698 HD21 LEU 80 3HD2 LEU 80 -5.047 4.067 2.196 699 HD22 LEU 80 1HD2 LEU 80 -3.939 3.864 3.554 700 HD23 LEU 80 2HD2 LEU 80 -4.508 5.477 3.112 701 H GLU 81 H GLU 81 -6.797 7.286 6.638 702 HA GLU 81 HA GLU 81 -7.612 8.628 4.326 703 HB2 GLU 81 2HB GLU 81 -8.065 9.300 7.265 704 HB3 GLU 81 3HB GLU 81 -8.890 10.131 5.945 705 HG2 GLU 81 2HG GLU 81 -9.982 8.070 5.267 706 HG3 GLU 81 3HG GLU 81 -9.062 7.153 6.457 707 H GLN 82 H GLN 82 -5.328 9.565 6.844 708 HA GLN 82 HA GLN 82 -5.139 12.326 6.037 709 HB2 GLN 82 2HB GLN 82 -3.377 10.705 7.926 710 HB3 GLN 82 3HB GLN 82 -3.293 12.455 7.710 711 HG2 GLN 82 2HG GLN 82 -5.649 10.891 8.797 712 HG3 GLN 82 3HG GLN 82 -4.550 11.901 9.730 713 HE21 GLN 82 1HE2 GLN 82 -7.500 12.034 9.347 714 HE22 GLN 82 2HE2 GLN 82 -7.818 13.645 8.818 715 H VAL 83 H VAL 83 -3.166 9.395 5.512 716 HA VAL 83 HA VAL 83 -1.068 10.689 4.071 717 HB VAL 83 HB VAL 83 -1.938 7.774 3.753 718 HG11 VAL 83 1HG1 VAL 83 0.425 7.382 3.078 719 HG12 VAL 83 2HG1 VAL 83 0.748 9.113 3.202 720 HG13 VAL 83 3HG1 VAL 83 -0.384 8.512 1.987 721 HG21 VAL 83 3HG2 VAL 83 -1.536 8.282 6.135 722 HG22 VAL 83 1HG2 VAL 83 0.050 8.947 5.744 723 HG23 VAL 83 2HG2 VAL 83 -0.271 7.225 5.507 724 H VAL 84 H VAL 84 -4.216 9.358 3.099 725 HA VAL 84 HA VAL 84 -3.964 9.783 0.298 726 HB VAL 84 HB VAL 84 -6.533 9.770 1.957 727 HG11 VAL 84 1HG1 VAL 84 -6.925 10.868 -0.200 728 HG12 VAL 84 2HG1 VAL 84 -7.674 9.273 -0.218 729 HG13 VAL 84 3HG1 VAL 84 -6.148 9.536 -1.060 730 HG21 VAL 84 3HG2 VAL 84 -6.791 7.424 1.204 731 HG22 VAL 84 1HG2 VAL 84 -5.309 7.636 2.138 732 HG23 VAL 84 2HG2 VAL 84 -5.230 7.513 0.382 733 H LYS 85 H LYS 85 -5.148 11.867 2.957 734 HA LYS 85 HA LYS 85 -6.049 14.044 1.411 735 HB2 LYS 85 2HB LYS 85 -5.082 13.848 4.278 736 HB3 LYS 85 3HB LYS 85 -5.602 15.384 3.597 737 HG2 LYS 85 2HG LYS 85 -7.843 14.472 3.165 738 HG3 LYS 85 3HG LYS 85 -7.337 12.897 3.785 739 HD2 LYS 85 2HD LYS 85 -8.621 14.166 5.484 740 HD3 LYS 85 3HD LYS 85 -6.965 13.866 6.019 741 HE2 LYS 85 2HE LYS 85 -6.362 16.192 5.317 742 HE3 LYS 85 3HE LYS 85 -8.050 16.469 4.881 743 HZ1 LYS 85 3HZ LYS 85 -7.480 17.323 7.081 744 HZ2 LYS 85 1HZ LYS 85 -7.092 15.762 7.601 745 HZ3 LYS 85 2HZ LYS 85 -8.680 16.140 7.160 746 H ASP 86 H ASP 86 -2.813 13.072 2.217 747 HA ASP 86 HA ASP 86 -1.597 15.626 1.567 748 HB2 ASP 86 2HB ASP 86 -0.632 14.104 3.311 749 HB3 ASP 86 3HB ASP 86 -0.246 12.938 2.052 750 H VAL 87 H VAL 87 -1.981 12.406 0.003 751 HA VAL 87 HA VAL 87 -0.400 13.110 -2.308 752 HB VAL 87 HB VAL 87 -0.737 10.716 -1.528 753 HG11 VAL 87 1HG1 VAL 87 -3.149 10.742 -1.112 754 HG12 VAL 87 2HG1 VAL 87 -2.736 9.476 -2.267 755 HG13 VAL 87 3HG1 VAL 87 -3.464 10.980 -2.831 756 HG21 VAL 87 3HG2 VAL 87 -0.764 9.745 -3.806 757 HG22 VAL 87 1HG2 VAL 87 0.232 11.201 -3.737 758 HG23 VAL 87 2HG2 VAL 87 -1.381 11.269 -4.450 759 H LYS 88 H LYS 88 -3.757 13.365 -1.424 760 HA LYS 88 HA LYS 88 -4.992 13.997 -3.867 761 HB2 LYS 88 2HB LYS 88 -5.542 14.757 -0.982 762 HB3 LYS 88 3HB LYS 88 -6.528 15.446 -2.262 763 HG2 LYS 88 2HG LYS 88 -6.228 12.448 -1.839 764 HG3 LYS 88 3HG LYS 88 -7.480 13.419 -1.061 765 HD2 LYS 88 2HD LYS 88 -7.096 13.197 -4.073 766 HD3 LYS 88 3HD LYS 88 -8.267 12.264 -3.138 767 HE2 LYS 88 2HE LYS 88 -9.446 14.325 -2.495 768 HE3 LYS 88 3HE LYS 88 -8.230 15.307 -3.320 769 HZ1 LYS 88 3HZ LYS 88 -10.068 13.364 -4.620 770 HZ2 LYS 88 1HZ LYS 88 -8.889 14.281 -5.411 771 HZ3 LYS 88 2HZ LYS 88 -10.201 15.047 -4.674 772 H GLY 89 H GLY 89 -5.109 15.917 -5.041 773 HA2 GLY 89 2HA GLY 89 -3.333 18.077 -4.773 774 HA3 GLY 89 3HA GLY 89 -4.868 18.126 -5.635 775 H SER 90 H SER 90 -3.190 18.957 -2.763 776 HA SER 90 HA SER 90 -5.145 18.818 -0.807 777 HB2 SER 90 2HB SER 90 -2.701 19.004 -0.376 778 HB3 SER 90 3HB SER 90 -2.744 20.697 -0.863 779 HG SER 90 HG SER 90 -4.227 19.560 1.276 780 H GLY 91 H GLY 91 -7.067 19.701 -1.402 781 HA2 GLY 91 2HA GLY 91 -7.512 22.260 -2.509 782 HA3 GLY 91 3HA GLY 91 -8.721 21.223 -1.762 783 H LEU 92 H LEU 92 -6.997 24.100 -1.419 784 HA LEU 92 HA LEU 92 -7.251 24.457 1.423 785 HB2 LEU 92 2HB LEU 92 -6.936 26.469 -0.855 786 HB3 LEU 92 3HB LEU 92 -6.899 26.899 0.848 787 HG LEU 92 HG LEU 92 -4.883 25.074 -0.525 788 HD11 LEU 92 1HD1 LEU 92 -4.644 27.394 -1.286 789 HD12 LEU 92 2HD1 LEU 92 -3.285 26.917 -0.272 790 HD13 LEU 92 3HD1 LEU 92 -4.556 27.954 0.386 791 HD21 LEU 92 3HD2 LEU 92 -3.608 25.232 1.571 792 HD22 LEU 92 1HD2 LEU 92 -5.187 24.498 1.840 793 HD23 LEU 92 2HD2 LEU 92 -4.906 26.178 2.307 794 H GLU 93 H GLU 93 -9.434 23.501 1.403 795 HA GLU 93 HA GLU 93 -11.636 25.002 0.307 796 HB2 GLU 93 2HB GLU 93 -13.036 23.207 1.428 797 HB3 GLU 93 3HB GLU 93 -11.901 22.632 0.215 798 HG2 GLU 93 2HG GLU 93 -10.350 21.943 2.047 799 HG3 GLU 93 3HG GLU 93 -11.559 22.445 3.226 800 H HIS 94 H HIS 94 -11.206 26.951 1.302 801 HA HIS 94 HA HIS 94 -11.448 27.228 4.226 802 HB2 HIS 94 2HB HIS 94 -9.483 28.209 2.798 803 HB3 HIS 94 3HB HIS 94 -10.648 29.394 2.229 804 HD1 HIS 94 HD1 HIS 94 -8.578 28.442 5.180 805 HD2 HIS 94 HD2 HIS 94 -11.331 31.382 4.166 806 HE1 HIS 94 HE1 HIS 94 -8.374 30.205 6.957 807 HE2 HIS 94 HE2 HIS 94 -9.902 32.047 6.199 808 H HIS 95 H HIS 95 -13.748 26.686 2.399 809 HA HIS 95 HA HIS 95 -15.381 29.091 2.480 810 HB2 HIS 95 2HB HIS 95 -16.177 26.207 1.891 811 HB3 HIS 95 3HB HIS 95 -17.200 27.623 1.657 812 HD1 HIS 95 HD1 HIS 95 -15.006 25.446 -0.167 813 HD2 HIS 95 HD2 HIS 95 -15.943 29.481 -0.333 814 HE1 HIS 95 HE1 HIS 95 -14.333 26.199 -2.459 815 HE2 HIS 95 HE2 HIS 95 -14.715 28.683 -2.449 816 H HIS 96 H HIS 96 -15.765 25.804 3.880 817 HA HIS 96 HA HIS 96 -16.803 25.016 5.737 818 HB2 HIS 96 2HB HIS 96 -15.425 27.435 7.000 819 HB3 HIS 96 3HB HIS 96 -16.108 26.093 7.909 820 HD1 HIS 96 HD1 HIS 96 -13.025 27.202 6.353 821 HD2 HIS 96 HD2 HIS 96 -14.722 23.549 7.352 822 HE1 HIS 96 HE1 HIS 96 -11.140 25.551 6.324 823 HE2 HIS 96 HE2 HIS 96 -12.239 23.327 6.717 824 H HIS 97 H HIS 97 -18.674 25.929 4.326 825 HA HIS 97 HA HIS 97 -19.717 28.438 4.486 826 HB2 HIS 97 2HB HIS 97 -21.748 27.585 3.409 827 HB3 HIS 97 3HB HIS 97 -20.304 26.880 2.710 828 HD1 HIS 97 HD1 HIS 97 -23.552 25.907 3.415 829 HD2 HIS 97 HD2 HIS 97 -19.881 24.149 4.229 830 HE1 HIS 97 HE1 HIS 97 -24.042 23.488 3.850 831 HE2 HIS 97 HE2 HIS 97 -21.816 22.464 4.397 832 H HIS 98 H HIS 98 -19.849 29.266 6.526 833 HA HIS 98 HA HIS 98 -21.953 28.328 8.360 834 HB2 HIS 98 2HB HIS 98 -19.786 30.459 8.752 835 HB3 HIS 98 3HB HIS 98 -20.981 30.005 9.962 836 HD1 HIS 98 HD1 HIS 98 -17.597 29.521 9.365 837 HD2 HIS 98 HD2 HIS 98 -20.674 26.901 10.334 838 HE1 HIS 98 HE1 HIS 98 -16.481 27.496 10.346 839 HE2 HIS 98 HE2 HIS 98 -18.355 25.897 10.835 840 H HIS 99 H HIS 99 -23.602 28.941 6.862 841 HA HIS 99 HA HIS 99 -24.166 31.850 6.705 842 HB2 HIS 99 2HB HIS 99 -23.715 30.909 4.458 843 HB3 HIS 99 3HB HIS 99 -24.929 29.657 4.706 844 HD1 HIS 99 HD1 HIS 99 -27.362 30.283 4.256 845 HD2 HIS 99 HD2 HIS 99 -24.796 33.549 4.060 846 HE1 HIS 99 HE1 HIS 99 -28.736 32.178 3.348 847 HE2 HIS 99 HE2 HIS 99 -27.139 34.103 3.146
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