NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
465408 | 2kvt | 16791 | 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 -30.178 -9.195 -5.720 2 H2 MET 1 2H MET 1 -30.497 -9.758 -4.159 3 H3 MET 1 3H MET 1 -31.394 -10.345 -5.464 4 HA MET 1 HA MET 1 -29.745 -11.931 -4.688 5 HB2 MET 1 2HB MET 1 -28.694 -12.352 -6.939 6 HB3 MET 1 3HB MET 1 -30.442 -12.173 -6.948 7 HG2 MET 1 2HG MET 1 -30.220 -9.887 -7.755 8 HG3 MET 1 3HG MET 1 -28.464 -10.031 -7.714 9 HE1 MET 1 3HE MET 1 -30.058 -9.067 -10.273 10 HE2 MET 1 1HE MET 1 -29.286 -9.991 -11.563 11 HE3 MET 1 2HE MET 1 -28.305 -9.264 -10.290 12 HA PRO 2 HA PRO 2 -25.753 -9.859 -3.853 13 HB2 PRO 2 2HB PRO 2 -25.712 -10.018 -1.190 14 HB3 PRO 2 3HB PRO 2 -26.639 -8.748 -1.997 15 HG2 PRO 2 2HG PRO 2 -27.596 -11.252 -0.693 16 HG3 PRO 2 3HG PRO 2 -28.369 -9.660 -0.773 17 HD2 PRO 2 2HD PRO 2 -28.921 -11.891 -2.428 18 HD3 PRO 2 3HD PRO 2 -29.499 -10.232 -2.665 19 H THR 3 H THR 3 -23.808 -11.006 -3.418 20 HA THR 3 HA THR 3 -24.032 -13.746 -2.405 21 HB THR 3 HB THR 3 -24.195 -14.060 -4.803 22 HG1 THR 3 HG1 THR 3 -23.016 -15.701 -3.996 23 HG21 THR 3 3HG2 THR 3 -22.415 -13.359 -6.339 24 HG22 THR 3 1HG2 THR 3 -21.585 -12.546 -5.011 25 HG23 THR 3 2HG2 THR 3 -23.161 -11.966 -5.553 26 H LYS 4 H LYS 4 -22.457 -14.256 -1.047 27 HA LYS 4 HA LYS 4 -19.965 -12.667 -1.047 28 HB2 LYS 4 2HB LYS 4 -21.409 -14.032 1.239 29 HB3 LYS 4 3HB LYS 4 -19.791 -13.356 1.373 30 HG2 LYS 4 2HG LYS 4 -20.649 -11.138 0.863 31 HG3 LYS 4 3HG LYS 4 -22.276 -11.793 0.669 32 HD2 LYS 4 2HD LYS 4 -22.341 -12.440 3.004 33 HD3 LYS 4 3HD LYS 4 -20.661 -11.949 3.223 34 HE2 LYS 4 2HE LYS 4 -22.906 -10.082 2.448 35 HE3 LYS 4 3HE LYS 4 -22.312 -10.303 4.094 36 HZ1 LYS 4 3HZ LYS 4 -21.342 -8.357 3.005 37 HZ2 LYS 4 1HZ LYS 4 -20.670 -9.346 1.809 38 HZ3 LYS 4 2HZ LYS 4 -20.161 -9.493 3.416 39 HA PRO 5 HA PRO 5 -18.324 -16.734 -2.247 40 HB2 PRO 5 2HB PRO 5 -15.847 -15.860 -2.934 41 HB3 PRO 5 3HB PRO 5 -17.255 -15.641 -3.982 42 HG2 PRO 5 2HG PRO 5 -15.978 -13.688 -2.091 43 HG3 PRO 5 3HG PRO 5 -16.533 -13.428 -3.758 44 HD2 PRO 5 2HD PRO 5 -18.003 -12.688 -1.603 45 HD3 PRO 5 3HD PRO 5 -18.749 -13.233 -3.121 46 HA PRO 6 HA PRO 6 -16.103 -18.110 1.376 47 HB2 PRO 6 2HB PRO 6 -14.179 -19.739 0.227 48 HB3 PRO 6 3HB PRO 6 -15.849 -20.221 0.538 49 HG2 PRO 6 2HG PRO 6 -14.603 -19.240 -2.006 50 HG3 PRO 6 3HG PRO 6 -15.762 -20.563 -1.767 51 HD2 PRO 6 2HD PRO 6 -16.564 -18.174 -2.685 52 HD3 PRO 6 3HD PRO 6 -17.572 -19.103 -1.553 53 H TYR 7 H TYR 7 -14.343 -16.670 -1.280 54 HA TYR 7 HA TYR 7 -12.369 -15.604 0.640 55 HB2 TYR 7 2HB TYR 7 -11.954 -16.419 -2.246 56 HB3 TYR 7 3HB TYR 7 -10.808 -15.421 -1.359 57 HD1 TYR 7 HD1 TYR 7 -12.361 -18.786 -1.509 58 HD2 TYR 7 HD2 TYR 7 -9.283 -16.389 0.195 59 HE1 TYR 7 HE1 TYR 7 -11.282 -20.808 -0.620 60 HE2 TYR 7 HE2 TYR 7 -8.196 -18.404 1.084 61 HH TYR 7 HH TYR 7 -8.745 -20.675 1.681 62 HA PRO 8 HA PRO 8 -14.894 -12.066 -0.919 63 HB2 PRO 8 2HB PRO 8 -13.912 -10.860 1.607 64 HB3 PRO 8 3HB PRO 8 -15.564 -11.015 1.001 65 HG2 PRO 8 2HG PRO 8 -14.707 -12.524 3.029 66 HG3 PRO 8 3HG PRO 8 -15.789 -13.193 1.791 67 HD2 PRO 8 2HD PRO 8 -12.812 -13.501 2.071 68 HD3 PRO 8 3HD PRO 8 -14.037 -14.735 1.694 69 H ARG 9 H ARG 9 -14.373 -9.867 -1.498 70 HA ARG 9 HA ARG 9 -11.607 -9.555 -2.290 71 HB2 ARG 9 2HB ARG 9 -12.428 -7.499 -3.442 72 HB3 ARG 9 3HB ARG 9 -13.282 -8.961 -3.911 73 HG2 ARG 9 2HG ARG 9 -15.096 -8.316 -2.305 74 HG3 ARG 9 3HG ARG 9 -14.262 -6.778 -2.079 75 HD2 ARG 9 2HD ARG 9 -15.376 -7.857 -4.672 76 HD3 ARG 9 3HD ARG 9 -16.049 -6.540 -3.710 77 HE ARG 9 HE ARG 9 -13.505 -5.733 -4.268 78 HH11 ARG 9 1HH1 ARG 9 -16.216 -6.695 -6.166 79 HH12 ARG 9 2HH1 ARG 9 -15.723 -5.747 -7.524 80 HH21 ARG 9 1HH2 ARG 9 -12.904 -4.513 -6.015 81 HH22 ARG 9 2HH2 ARG 9 -13.882 -4.529 -7.439 82 H GLU 10 H GLU 10 -10.493 -9.267 -0.364 83 HA GLU 10 HA GLU 10 -10.975 -6.707 1.031 84 HB2 GLU 10 2HB GLU 10 -11.621 -8.707 2.380 85 HB3 GLU 10 3HB GLU 10 -9.958 -9.271 2.284 86 HG2 GLU 10 2HG GLU 10 -9.227 -7.215 3.448 87 HG3 GLU 10 3HG GLU 10 -10.915 -6.734 3.608 88 H ALA 11 H ALA 11 -9.250 -5.420 1.459 89 HA ALA 11 HA ALA 11 -6.548 -6.397 0.757 90 HB1 ALA 11 3HB ALA 11 -7.394 -5.039 -1.083 91 HB2 ALA 11 1HB ALA 11 -6.055 -4.229 -0.273 92 HB3 ALA 11 2HB ALA 11 -7.714 -3.707 0.027 93 H TYR 12 H TYR 12 -4.864 -4.645 1.509 94 HA TYR 12 HA TYR 12 -5.578 -3.258 3.959 95 HB2 TYR 12 2HB TYR 12 -3.830 -4.451 5.302 96 HB3 TYR 12 3HB TYR 12 -5.198 -5.467 4.863 97 HD1 TYR 12 HD2 TYR 12 -1.625 -4.780 4.191 98 HD2 TYR 12 HD1 TYR 12 -4.921 -7.375 3.435 99 HE1 TYR 12 HE2 TYR 12 -0.093 -6.441 3.221 100 HE2 TYR 12 HE1 TYR 12 -3.393 -9.038 2.466 101 HH TYR 12 HH TYR 12 0.003 -8.820 2.789 102 H ILE 13 H ILE 13 -3.304 -2.484 5.000 103 HA ILE 13 HA ILE 13 -1.759 -1.293 2.773 104 HB ILE 13 HB ILE 13 -2.353 -0.036 5.467 105 HG12 ILE 13 2HG1 ILE 13 -3.511 0.650 2.742 106 HG13 ILE 13 3HG1 ILE 13 -4.371 -0.214 4.012 107 HG21 ILE 13 1HG2 ILE 13 -1.009 1.095 3.005 108 HG22 ILE 13 2HG2 ILE 13 -0.228 0.703 4.536 109 HG23 ILE 13 3HG2 ILE 13 -1.411 2.008 4.461 110 HD11 ILE 13 3HD1 ILE 13 -4.247 1.734 5.448 111 HD12 ILE 13 1HD1 ILE 13 -5.006 2.130 3.906 112 HD13 ILE 13 2HD1 ILE 13 -3.333 2.601 4.211 113 H VAL 14 H VAL 14 0.476 -1.120 2.992 114 HA VAL 14 HA VAL 14 1.718 -2.251 5.426 115 HB VAL 14 HB VAL 14 2.676 -2.687 2.579 116 HG11 VAL 14 1HG1 VAL 14 3.784 -3.685 5.211 117 HG12 VAL 14 2HG1 VAL 14 4.549 -2.533 4.114 118 HG13 VAL 14 3HG1 VAL 14 4.331 -4.212 3.617 119 HG21 VAL 14 3HG2 VAL 14 0.674 -4.008 3.103 120 HG22 VAL 14 1HG2 VAL 14 1.477 -4.659 4.534 121 HG23 VAL 14 2HG2 VAL 14 2.093 -5.039 2.924 122 H THR 15 H THR 15 3.012 -0.800 6.404 123 HA THR 15 HA THR 15 3.866 1.594 4.973 124 HB THR 15 HB THR 15 4.660 2.395 7.168 125 HG1 THR 15 HG1 THR 15 5.147 0.197 7.976 126 HG21 THR 15 3HG2 THR 15 2.465 2.514 8.293 127 HG22 THR 15 1HG2 THR 15 1.861 1.251 7.218 128 HG23 THR 15 2HG2 THR 15 2.339 2.815 6.560 129 H ILE 16 H ILE 16 5.742 1.635 3.901 130 HA ILE 16 HA ILE 16 8.031 0.080 4.947 131 HB ILE 16 HB ILE 16 8.833 -0.259 2.687 132 HG12 ILE 16 2HG1 ILE 16 6.333 1.155 1.710 133 HG13 ILE 16 3HG1 ILE 16 7.929 1.896 1.763 134 HG21 ILE 16 1HG2 ILE 16 7.105 -1.768 1.831 135 HG22 ILE 16 2HG2 ILE 16 5.915 -1.019 2.894 136 HG23 ILE 16 3HG2 ILE 16 7.268 -1.916 3.580 137 HD11 ILE 16 3HD1 ILE 16 7.197 -0.540 0.158 138 HD12 ILE 16 1HD1 ILE 16 8.766 0.266 0.182 139 HD13 ILE 16 2HD1 ILE 16 7.354 1.100 -0.468 140 H GLU 17 H GLU 17 10.159 0.929 3.926 141 HA GLU 17 HA GLU 17 10.163 3.882 3.811 142 HB2 GLU 17 2HB GLU 17 12.258 2.091 5.071 143 HB3 GLU 17 3HB GLU 17 12.378 3.839 4.912 144 HG2 GLU 17 2HG GLU 17 10.468 4.129 6.388 145 HG3 GLU 17 3HG GLU 17 10.280 2.381 6.515 146 H LYS 18 H LYS 18 11.436 4.829 2.249 147 HA LYS 18 HA LYS 18 13.079 3.060 0.542 148 HB2 LYS 18 2HB LYS 18 11.147 5.182 -0.422 149 HB3 LYS 18 3HB LYS 18 12.308 4.352 -1.447 150 HG2 LYS 18 2HG LYS 18 11.181 2.198 -0.871 151 HG3 LYS 18 3HG LYS 18 9.947 3.133 -0.017 152 HD2 LYS 18 2HD LYS 18 9.406 4.320 -2.087 153 HD3 LYS 18 3HD LYS 18 10.658 3.419 -2.942 154 HE2 LYS 18 2HE LYS 18 9.423 1.320 -2.362 155 HE3 LYS 18 3HE LYS 18 8.120 2.328 -1.730 156 HZ1 LYS 18 3HZ LYS 18 7.577 1.745 -3.948 157 HZ2 LYS 18 1HZ LYS 18 9.100 2.195 -4.524 158 HZ3 LYS 18 2HZ LYS 18 8.022 3.375 -3.976 159 H GLY 19 H GLY 19 14.434 4.478 -1.047 160 HA2 GLY 19 2HA GLY 19 15.549 6.545 -1.478 161 HA3 GLY 19 3HA GLY 19 15.220 7.041 0.171 162 H LYS 20 H LYS 20 17.172 7.414 1.020 163 HA LYS 20 HA LYS 20 19.458 5.739 0.349 164 HB2 LYS 20 2HB LYS 20 19.179 8.257 2.001 165 HB3 LYS 20 3HB LYS 20 20.709 7.437 1.704 166 HG2 LYS 20 2HG LYS 20 20.673 7.950 -0.587 167 HG3 LYS 20 3HG LYS 20 18.961 8.374 -0.556 168 HD2 LYS 20 2HD LYS 20 20.428 10.354 -0.723 169 HD3 LYS 20 3HD LYS 20 19.436 10.368 0.734 170 HE2 LYS 20 2HE LYS 20 21.353 9.576 2.046 171 HE3 LYS 20 3HE LYS 20 22.339 9.543 0.583 172 HZ1 LYS 20 3HZ LYS 20 22.154 11.902 0.383 173 HZ2 LYS 20 1HZ LYS 20 22.660 11.554 1.958 174 HZ3 LYS 20 2HZ LYS 20 21.053 11.995 1.662 175 HA PRO 21 HA PRO 21 19.382 3.004 3.812 176 HB2 PRO 21 2HB PRO 21 22.094 3.092 4.531 177 HB3 PRO 21 3HB PRO 21 21.376 2.028 3.317 178 HG2 PRO 21 2HG PRO 21 22.798 4.635 2.948 179 HG3 PRO 21 3HG PRO 21 22.864 3.166 1.955 180 HD2 PRO 21 2HD PRO 21 21.442 5.287 1.165 181 HD3 PRO 21 3HD PRO 21 20.833 3.637 0.902 182 H GLY 22 H GLY 22 21.055 6.098 4.276 183 HA2 GLY 22 2HA GLY 22 20.456 6.033 7.153 184 HA3 GLY 22 3HA GLY 22 21.437 7.235 6.320 185 H GLN 23 H GLN 23 19.681 7.957 4.272 186 HA GLN 23 HA GLN 23 17.672 9.471 5.786 187 HB2 GLN 23 2HB GLN 23 18.695 9.946 2.971 188 HB3 GLN 23 3HB GLN 23 17.630 11.007 3.883 189 HG2 GLN 23 2HG GLN 23 20.487 10.342 4.587 190 HG3 GLN 23 3HG GLN 23 19.924 11.838 3.846 191 HE21 GLN 23 1HE2 GLN 23 17.514 11.974 5.487 192 HE22 GLN 23 2HE2 GLN 23 18.038 12.434 7.065 193 H THR 24 H THR 24 16.141 7.773 5.917 194 HA THR 24 HA THR 24 14.990 6.728 3.442 195 HB THR 24 HB THR 24 13.593 5.305 4.877 196 HG1 THR 24 HG1 THR 24 13.698 5.439 7.097 197 HG21 THR 24 3HG2 THR 24 15.837 4.524 4.271 198 HG22 THR 24 1HG2 THR 24 15.372 3.949 5.875 199 HG23 THR 24 2HG2 THR 24 16.499 5.297 5.712 200 H VAL 25 H VAL 25 12.790 6.888 2.888 201 HA VAL 25 HA VAL 25 11.253 9.072 4.168 202 HB VAL 25 HB VAL 25 11.187 8.261 1.241 203 HG11 VAL 25 1HG1 VAL 25 9.771 10.237 0.927 204 HG12 VAL 25 2HG1 VAL 25 9.804 10.545 2.663 205 HG13 VAL 25 3HG1 VAL 25 9.024 9.092 2.038 206 HG21 VAL 25 3HG2 VAL 25 13.274 9.400 1.791 207 HG22 VAL 25 1HG2 VAL 25 12.377 10.718 2.543 208 HG23 VAL 25 2HG2 VAL 25 12.243 10.438 0.806 209 H THR 26 H THR 26 9.003 8.742 4.429 210 HA THR 26 HA THR 26 8.266 5.982 4.846 211 HB THR 26 HB THR 26 6.579 8.476 5.222 212 HG1 THR 26 HG1 THR 26 7.436 8.628 7.194 213 HG21 THR 26 3HG2 THR 26 5.257 7.087 6.753 214 HG22 THR 26 1HG2 THR 26 6.261 5.690 6.361 215 HG23 THR 26 2HG2 THR 26 5.241 6.420 5.120 216 H TRP 27 H TRP 27 7.121 4.690 3.521 217 HA TRP 27 HA TRP 27 5.342 5.907 1.504 218 HB2 TRP 27 2HB TRP 27 7.473 3.828 1.065 219 HB3 TRP 27 3HB TRP 27 6.052 3.872 0.025 220 HD1 TRP 27 HD1 TRP 27 9.079 6.072 1.003 221 HE1 TRP 27 HE1 TRP 27 9.510 7.731 -0.916 222 HE3 TRP 27 HE3 TRP 27 5.040 4.988 -1.935 223 HZ2 TRP 27 HZ2 TRP 27 8.304 8.482 -3.355 224 HZ3 TRP 27 HZ3 TRP 27 4.749 6.221 -4.045 225 HH2 TRP 27 HH2 TRP 27 6.347 7.933 -4.738 226 H TYR 28 H TYR 28 3.551 4.663 0.855 227 HA TYR 28 HA TYR 28 2.817 2.476 2.702 228 HB2 TYR 28 2HB TYR 28 1.055 4.610 1.471 229 HB3 TYR 28 3HB TYR 28 0.452 3.235 2.387 230 HD1 TYR 28 HD2 TYR 28 2.645 6.238 2.678 231 HD2 TYR 28 HD1 TYR 28 0.274 3.345 4.718 232 HE1 TYR 28 HE2 TYR 28 2.890 7.513 4.764 233 HE2 TYR 28 HE1 TYR 28 0.515 4.616 6.805 234 HH TYR 28 HH TYR 28 1.790 6.249 7.831 235 H GLN 29 H GLN 29 2.644 0.566 1.705 236 HA GLN 29 HA GLN 29 1.975 0.458 -1.154 237 HB2 GLN 29 2HB GLN 29 3.112 -1.636 0.709 238 HB3 GLN 29 3HB GLN 29 2.693 -1.937 -0.972 239 HG2 GLN 29 2HG GLN 29 4.324 -0.139 -1.602 240 HG3 GLN 29 3HG GLN 29 4.828 -0.100 0.086 241 HE21 GLN 29 1HE2 GLN 29 6.306 -0.823 -2.341 242 HE22 GLN 29 2HE2 GLN 29 6.912 -2.417 -2.061 243 H LEU 30 H LEU 30 0.033 -0.204 -1.834 244 HA LEU 30 HA LEU 30 -1.898 -1.324 0.039 245 HB2 LEU 30 2HB LEU 30 -2.653 0.403 -1.511 246 HB3 LEU 30 3HB LEU 30 -2.136 -0.569 -2.879 247 HG LEU 30 HG LEU 30 -3.831 -2.287 -2.245 248 HD11 LEU 30 1HD1 LEU 30 -4.023 -1.770 0.131 249 HD12 LEU 30 2HD1 LEU 30 -5.595 -1.698 -0.662 250 HD13 LEU 30 3HD1 LEU 30 -4.744 -0.207 -0.256 251 HD21 LEU 30 3HD2 LEU 30 -4.925 0.484 -2.737 252 HD22 LEU 30 1HD2 LEU 30 -5.774 -1.032 -3.037 253 HD23 LEU 30 2HD2 LEU 30 -4.331 -0.632 -3.965 254 H ARG 31 H ARG 31 -1.811 -3.459 0.408 255 HA ARG 31 HA ARG 31 -1.475 -5.276 -1.899 256 HB2 ARG 31 2HB ARG 31 -0.334 -5.674 0.883 257 HB3 ARG 31 3HB ARG 31 -0.285 -6.865 -0.412 258 HG2 ARG 31 2HG ARG 31 1.041 -5.266 -1.774 259 HG3 ARG 31 3HG ARG 31 1.066 -4.168 -0.394 260 HD2 ARG 31 2HD ARG 31 2.217 -5.901 0.933 261 HD3 ARG 31 3HD ARG 31 2.222 -6.961 -0.477 262 HE ARG 31 HE ARG 31 3.704 -4.419 -0.262 263 HH11 ARG 31 1HH1 ARG 31 3.309 -7.554 -1.637 264 HH12 ARG 31 2HH1 ARG 31 4.766 -7.453 -2.557 265 HH21 ARG 31 1HH2 ARG 31 5.564 -4.298 -1.454 266 HH22 ARG 31 2HH2 ARG 31 6.010 -5.605 -2.493 267 H ALA 32 H ALA 32 -2.554 -7.343 -1.686 268 HA ALA 32 HA ALA 32 -4.735 -7.357 0.299 269 HB1 ALA 32 3HB ALA 32 -5.605 -6.389 -1.778 270 HB2 ALA 32 1HB ALA 32 -6.354 -7.947 -1.431 271 HB3 ALA 32 2HB ALA 32 -5.098 -7.827 -2.664 272 H ASP 33 H ASP 33 -5.426 -9.366 0.983 273 HA ASP 33 HA ASP 33 -3.725 -11.597 0.759 274 HB2 ASP 33 2HB ASP 33 -6.665 -11.729 1.452 275 HB3 ASP 33 3HB ASP 33 -5.376 -12.794 2.007 276 H HIS 34 H HIS 34 -6.064 -10.401 -1.388 277 HA HIS 34 HA HIS 34 -6.241 -12.964 -2.844 278 HB2 HIS 34 2HB HIS 34 -8.322 -10.762 -2.850 279 HB3 HIS 34 3HB HIS 34 -8.475 -12.380 -3.532 280 HD1 HIS 34 HD1 HIS 34 -8.463 -10.551 -0.249 281 HD2 HIS 34 HD2 HIS 34 -9.141 -14.383 -1.705 282 HE1 HIS 34 HE1 HIS 34 -9.436 -11.834 1.673 283 HE2 HIS 34 HE2 HIS 34 -9.614 -14.196 0.833 284 HA PRO 35 HA PRO 35 -6.302 -13.848 -4.667 285 HB2 PRO 35 2HB PRO 35 -4.674 -14.673 -6.632 286 HB3 PRO 35 3HB PRO 35 -6.193 -13.839 -6.984 287 HG2 PRO 35 2HG PRO 35 -3.397 -12.748 -6.955 288 HG3 PRO 35 3HG PRO 35 -4.693 -12.467 -8.132 289 HD2 PRO 35 2HD PRO 35 -4.060 -10.728 -6.096 290 HD3 PRO 35 3HD PRO 35 -5.664 -10.828 -6.849 291 H LYS 36 H LYS 36 -3.291 -12.172 -4.269 292 HA LYS 36 HA LYS 36 -2.281 -14.324 -2.560 293 HB2 LYS 36 2HB LYS 36 -0.647 -13.041 -4.764 294 HB3 LYS 36 3HB LYS 36 -0.001 -14.107 -3.523 295 HG2 LYS 36 2HG LYS 36 -1.493 -15.908 -4.371 296 HG3 LYS 36 3HG LYS 36 -1.982 -14.829 -5.680 297 HD2 LYS 36 2HD LYS 36 0.385 -14.681 -6.392 298 HD3 LYS 36 3HD LYS 36 0.810 -15.831 -5.121 299 HE2 LYS 36 2HE LYS 36 -1.087 -16.369 -7.411 300 HE3 LYS 36 3HE LYS 36 0.587 -16.911 -7.323 301 HZ1 LYS 36 3HZ LYS 36 -0.874 -18.680 -6.682 302 HZ2 LYS 36 1HZ LYS 36 -1.620 -17.715 -5.505 303 HZ3 LYS 36 2HZ LYS 36 -0.004 -18.174 -5.323 304 HA PRO 37 HA PRO 37 -1.518 -10.904 0.092 305 HB2 PRO 37 2HB PRO 37 0.324 -11.940 1.799 306 HB3 PRO 37 3HB PRO 37 -1.365 -12.460 1.784 307 HG2 PRO 37 2HG PRO 37 1.029 -13.769 0.542 308 HG3 PRO 37 3HG PRO 37 -0.301 -14.507 1.455 309 HD2 PRO 37 2HD PRO 37 -0.174 -14.538 -1.265 310 HD3 PRO 37 3HD PRO 37 -1.709 -14.528 -0.379 311 H ASP 38 H ASP 38 0.958 -12.090 -1.940 312 HA ASP 38 HA ASP 38 2.778 -9.883 -1.288 313 HB2 ASP 38 2HB ASP 38 4.302 -10.979 -2.922 314 HB3 ASP 38 3HB ASP 38 3.830 -12.041 -1.597 315 H SER 39 H SER 39 0.083 -10.259 -3.119 316 HA SER 39 HA SER 39 0.860 -9.030 -5.585 317 HB2 SER 39 2HB SER 39 -1.127 -10.413 -5.548 318 HB3 SER 39 3HB SER 39 -1.869 -9.393 -4.316 319 HG SER 39 HG SER 39 -2.323 -7.906 -5.786 320 H LEU 40 H LEU 40 1.753 -7.063 -5.470 321 HA LEU 40 HA LEU 40 0.695 -4.962 -3.774 322 HB2 LEU 40 2HB LEU 40 3.101 -5.120 -4.153 323 HB3 LEU 40 3HB LEU 40 2.867 -4.963 -5.885 324 HG LEU 40 HG LEU 40 2.055 -2.660 -5.580 325 HD11 LEU 40 1HD1 LEU 40 1.083 -2.877 -3.356 326 HD12 LEU 40 2HD1 LEU 40 2.239 -1.545 -3.414 327 HD13 LEU 40 3HD1 LEU 40 2.694 -3.075 -2.659 328 HD21 LEU 40 3HD2 LEU 40 4.431 -3.052 -5.989 329 HD22 LEU 40 1HD2 LEU 40 4.720 -3.170 -4.253 330 HD23 LEU 40 2HD2 LEU 40 4.184 -1.643 -4.958 331 H ILE 41 H ILE 41 -0.940 -3.664 -4.351 332 HA ILE 41 HA ILE 41 -1.927 -3.665 -7.092 333 HB ILE 41 HB ILE 41 -3.048 -2.245 -4.659 334 HG12 ILE 41 2HG1 ILE 41 -2.998 -4.668 -4.297 335 HG13 ILE 41 3HG1 ILE 41 -4.654 -4.116 -4.524 336 HG21 ILE 41 1HG2 ILE 41 -4.285 -2.845 -7.349 337 HG22 ILE 41 2HG2 ILE 41 -3.835 -1.259 -6.722 338 HG23 ILE 41 3HG2 ILE 41 -5.141 -2.166 -5.963 339 HD11 ILE 41 3HD1 ILE 41 -4.601 -4.927 -6.829 340 HD12 ILE 41 1HD1 ILE 41 -4.255 -6.211 -5.672 341 HD13 ILE 41 2HD1 ILE 41 -2.941 -5.478 -6.592 342 H SER 42 H SER 42 -0.978 -1.178 -4.699 343 HA SER 42 HA SER 42 0.221 0.480 -6.733 344 HB2 SER 42 2HB SER 42 -2.122 1.109 -7.057 345 HB3 SER 42 3HB SER 42 -2.296 1.434 -5.334 346 HG SER 42 HG SER 42 -1.517 3.103 -7.221 347 H GLU 43 H GLU 43 1.318 2.355 -5.845 348 HA GLU 43 HA GLU 43 1.823 2.142 -2.937 349 HB2 GLU 43 2HB GLU 43 3.789 2.895 -5.115 350 HB3 GLU 43 3HB GLU 43 4.137 2.878 -3.390 351 HG2 GLU 43 2HG GLU 43 3.699 0.453 -3.347 352 HG3 GLU 43 3HG GLU 43 3.419 0.492 -5.087 353 H HIS 44 H HIS 44 1.873 4.017 -1.747 354 HA HIS 44 HA HIS 44 1.734 6.606 -3.120 355 HB2 HIS 44 2HB HIS 44 -0.358 5.649 -1.146 356 HB3 HIS 44 3HB HIS 44 -0.222 7.299 -1.745 357 HD1 HIS 44 HD1 HIS 44 -1.920 4.208 -2.413 358 HD2 HIS 44 HD2 HIS 44 -0.538 7.370 -4.722 359 HE1 HIS 44 HE1 HIS 44 -3.159 4.043 -4.586 360 HE2 HIS 44 HE2 HIS 44 -2.277 5.936 -5.983 361 HA PRO 45 HA PRO 45 4.313 7.742 0.328 362 HB2 PRO 45 2HB PRO 45 4.291 10.432 0.073 363 HB3 PRO 45 3HB PRO 45 5.104 9.384 -1.097 364 HG2 PRO 45 2HG PRO 45 2.394 10.665 -1.274 365 HG3 PRO 45 3HG PRO 45 3.667 10.573 -2.505 366 HD2 PRO 45 2HD PRO 45 1.529 8.892 -2.468 367 HD3 PRO 45 3HD PRO 45 3.119 8.412 -3.095 368 H THR 46 H THR 46 0.978 8.657 0.162 369 HA THR 46 HA THR 46 1.038 9.550 2.986 370 HB THR 46 HB THR 46 -0.967 10.853 2.596 371 HG1 THR 46 HG1 THR 46 -0.887 10.436 -0.179 372 HG21 THR 46 3HG2 THR 46 1.082 11.403 0.441 373 HG22 THR 46 1HG2 THR 46 1.170 11.957 2.114 374 HG23 THR 46 2HG2 THR 46 -0.107 12.553 1.053 375 H ALA 47 H ALA 47 -0.564 8.820 4.399 376 HA ALA 47 HA ALA 47 -1.419 6.159 4.095 377 HB1 ALA 47 3HB ALA 47 -2.644 6.514 6.194 378 HB2 ALA 47 1HB ALA 47 -2.368 8.250 6.055 379 HB3 ALA 47 2HB ALA 47 -1.002 7.156 6.275 380 H GLN 48 H GLN 48 -3.211 9.221 3.748 381 HA GLN 48 HA GLN 48 -5.791 8.184 3.557 382 HB2 GLN 48 2HB GLN 48 -5.366 10.566 3.830 383 HB3 GLN 48 3HB GLN 48 -4.628 10.645 2.236 384 HG2 GLN 48 2HG GLN 48 -6.912 11.559 2.281 385 HG3 GLN 48 3HG GLN 48 -6.745 10.202 1.173 386 HE21 GLN 48 1HE2 GLN 48 -7.837 8.287 1.618 387 HE22 GLN 48 2HE2 GLN 48 -9.065 8.177 2.826 388 H GLU 49 H GLU 49 -3.458 8.805 0.901 389 HA GLU 49 HA GLU 49 -5.120 7.967 -1.204 390 HB2 GLU 49 2HB GLU 49 -2.113 7.793 -0.950 391 HB3 GLU 49 3HB GLU 49 -3.000 7.518 -2.444 392 HG2 GLU 49 2HG GLU 49 -3.844 9.835 -2.329 393 HG3 GLU 49 3HG GLU 49 -2.867 10.091 -0.884 394 H ALA 50 H ALA 50 -3.123 6.097 1.027 395 HA ALA 50 HA ALA 50 -3.341 3.608 -0.344 396 HB1 ALA 50 3HB ALA 50 -1.595 4.064 1.320 397 HB2 ALA 50 1HB ALA 50 -2.513 2.610 1.716 398 HB3 ALA 50 2HB ALA 50 -2.822 4.112 2.587 399 H MET 51 H MET 51 -5.184 5.056 2.328 400 HA MET 51 HA MET 51 -6.974 2.895 2.716 401 HB2 MET 51 2HB MET 51 -7.383 5.846 3.271 402 HB3 MET 51 3HB MET 51 -8.395 4.550 3.893 403 HG2 MET 51 2HG MET 51 -6.489 3.654 5.133 404 HG3 MET 51 3HG MET 51 -5.472 4.945 4.500 405 HE1 MET 51 3HE MET 51 -5.868 5.917 8.277 406 HE2 MET 51 1HE MET 51 -4.727 5.625 6.964 407 HE3 MET 51 2HE MET 51 -5.708 4.300 7.590 408 H ASP 52 H ASP 52 -7.188 5.812 0.720 409 HA ASP 52 HA ASP 52 -9.795 5.410 -0.270 410 HB2 ASP 52 2HB ASP 52 -8.417 7.534 -0.390 411 HB3 ASP 52 3HB ASP 52 -7.520 6.797 -1.713 412 H ALA 53 H ALA 53 -6.613 4.561 -1.656 413 HA ALA 53 HA ALA 53 -7.497 3.254 -3.968 414 HB1 ALA 53 3HB ALA 53 -5.039 2.603 -2.336 415 HB2 ALA 53 1HB ALA 53 -5.151 3.891 -3.535 416 HB3 ALA 53 2HB ALA 53 -5.307 2.207 -4.033 417 H LYS 54 H LYS 54 -7.000 1.999 -0.679 418 HA LYS 54 HA LYS 54 -7.578 -0.694 -1.086 419 HB2 LYS 54 2HB LYS 54 -6.769 0.035 1.042 420 HB3 LYS 54 3HB LYS 54 -8.115 1.141 1.254 421 HG2 LYS 54 2HG LYS 54 -9.639 -0.678 1.622 422 HG3 LYS 54 3HG LYS 54 -8.397 -1.862 1.204 423 HD2 LYS 54 2HD LYS 54 -7.201 -1.491 3.180 424 HD3 LYS 54 3HD LYS 54 -7.957 0.076 3.459 425 HE2 LYS 54 2HE LYS 54 -8.756 -1.609 5.045 426 HE3 LYS 54 3HE LYS 54 -10.055 -1.013 4.023 427 HZ1 LYS 54 3HZ LYS 54 -10.092 -3.432 4.364 428 HZ2 LYS 54 1HZ LYS 54 -8.607 -3.556 3.572 429 HZ3 LYS 54 2HZ LYS 54 -9.968 -3.008 2.733 430 H LYS 55 H LYS 55 -9.848 2.009 -0.500 431 HA LYS 55 HA LYS 55 -12.211 0.474 -0.686 432 HB2 LYS 55 2HB LYS 55 -11.639 3.391 -1.132 433 HB3 LYS 55 3HB LYS 55 -13.244 2.730 -1.416 434 HG2 LYS 55 2HG LYS 55 -13.276 1.917 0.930 435 HG3 LYS 55 3HG LYS 55 -11.720 2.711 1.187 436 HD2 LYS 55 2HD LYS 55 -13.647 4.057 1.980 437 HD3 LYS 55 3HD LYS 55 -12.691 4.874 0.743 438 HE2 LYS 55 2HE LYS 55 -15.098 5.160 0.371 439 HE3 LYS 55 3HE LYS 55 -14.335 4.283 -0.953 440 HZ1 LYS 55 3HZ LYS 55 -15.920 3.085 1.255 441 HZ2 LYS 55 1HZ LYS 55 -15.156 2.211 0.024 442 HZ3 LYS 55 2HZ LYS 55 -16.419 3.265 -0.348 443 H ARG 56 H ARG 56 -10.339 2.166 -3.215 444 HA ARG 56 HA ARG 56 -12.038 1.686 -5.380 445 HB2 ARG 56 2HB ARG 56 -9.109 2.167 -5.103 446 HB3 ARG 56 3HB ARG 56 -9.678 1.544 -6.642 447 HG2 ARG 56 2HG ARG 56 -9.489 3.960 -6.693 448 HG3 ARG 56 3HG ARG 56 -11.167 3.460 -6.886 449 HD2 ARG 56 2HD ARG 56 -10.000 4.313 -4.241 450 HD3 ARG 56 3HD ARG 56 -10.745 5.444 -5.367 451 HE ARG 56 HE ARG 56 -12.467 3.247 -4.752 452 HH11 ARG 56 1HH1 ARG 56 -11.321 6.269 -3.565 453 HH12 ARG 56 2HH1 ARG 56 -12.751 6.564 -2.637 454 HH21 ARG 56 1HH2 ARG 56 -14.273 3.617 -3.520 455 HH22 ARG 56 2HH2 ARG 56 -14.398 5.094 -2.625 456 H TYR 57 H TYR 57 -9.766 -0.491 -3.809 457 HA TYR 57 HA TYR 57 -10.018 -2.574 -5.783 458 HB2 TYR 57 2HB TYR 57 -7.990 -2.489 -4.492 459 HB3 TYR 57 3HB TYR 57 -8.883 -2.543 -2.978 460 HD1 TYR 57 HD1 TYR 57 -7.822 -4.541 -5.907 461 HD2 TYR 57 HD2 TYR 57 -9.625 -4.632 -2.049 462 HE1 TYR 57 HE1 TYR 57 -7.624 -6.992 -5.874 463 HE2 TYR 57 HE2 TYR 57 -9.427 -7.079 -2.007 464 HH TYR 57 HH TYR 57 -7.543 -8.819 -4.245 465 H GLU 58 H GLU 58 -11.614 -1.810 -2.723 466 HA GLU 58 HA GLU 58 -12.907 -4.431 -2.647 467 HB2 GLU 58 2HB GLU 58 -13.038 -2.162 -0.653 468 HB3 GLU 58 3HB GLU 58 -13.630 -3.803 -0.407 469 HG2 GLU 58 2HG GLU 58 -11.367 -4.676 -0.605 470 HG3 GLU 58 3HG GLU 58 -10.750 -3.053 -0.904 471 H ASP 59 H ASP 59 -13.741 -1.180 -3.518 472 HA ASP 59 HA ASP 59 -16.584 -1.480 -3.215 473 HB2 ASP 59 2HB ASP 59 -14.869 0.588 -4.608 474 HB3 ASP 59 3HB ASP 59 -16.627 0.641 -4.655 475 HA PRO 60 HA PRO 60 -17.732 -3.584 -6.904 476 HB2 PRO 60 2HB PRO 60 -19.948 -2.181 -7.731 477 HB3 PRO 60 3HB PRO 60 -19.945 -3.320 -6.380 478 HG2 PRO 60 2HG PRO 60 -19.717 -0.330 -6.337 479 HG3 PRO 60 3HG PRO 60 -20.694 -1.396 -5.306 480 HD2 PRO 60 2HD PRO 60 -18.368 -0.368 -4.447 481 HD3 PRO 60 3HD PRO 60 -18.867 -2.015 -4.003 482 H ASP 61 H ASP 61 -16.658 -0.359 -7.085 483 HA ASP 61 HA ASP 61 -16.990 0.135 -9.858 484 HB2 ASP 61 2HB ASP 61 -14.919 1.235 -7.939 485 HB3 ASP 61 3HB ASP 61 -15.262 1.873 -9.546 486 H LYS 62 H LYS 62 -14.402 -1.439 -7.997 487 HA LYS 62 HA LYS 62 -12.820 -2.008 -10.349 488 HB2 LYS 62 2HB LYS 62 -11.726 -1.825 -8.163 489 HB3 LYS 62 3HB LYS 62 -12.683 -3.165 -7.547 490 HG2 LYS 62 2HG LYS 62 -10.455 -3.935 -8.055 491 HG3 LYS 62 3HG LYS 62 -11.596 -4.664 -9.188 492 HD2 LYS 62 2HD LYS 62 -10.976 -2.993 -10.884 493 HD3 LYS 62 3HD LYS 62 -9.831 -2.270 -9.753 494 HE2 LYS 62 2HE LYS 62 -8.566 -4.377 -9.695 495 HE3 LYS 62 3HE LYS 62 -9.719 -5.098 -10.818 496 HZ1 LYS 62 3HZ LYS 62 -9.077 -3.456 -12.471 497 HZ2 LYS 62 1HZ LYS 62 -7.734 -4.350 -11.962 498 HZ3 LYS 62 2HZ LYS 62 -7.966 -2.772 -11.399 499 H GLU 63 H GLU 63 -13.924 -3.152 -11.824 500 HA GLU 63 HA GLU 63 -15.733 -5.279 -11.196 501 HB2 GLU 63 2HB GLU 63 -15.853 -5.528 -13.684 502 HB3 GLU 63 3HB GLU 63 -16.181 -3.899 -13.104 503 HG2 GLU 63 2HG GLU 63 -13.758 -3.363 -13.615 504 HG3 GLU 63 3HG GLU 63 -13.687 -4.915 -14.448 505 H LEU 64 H LEU 64 -15.545 -7.438 -12.365 506 HA LEU 64 HA LEU 64 -13.263 -8.821 -11.447 507 HB2 LEU 64 2HB LEU 64 -15.449 -9.640 -13.364 508 HB3 LEU 64 3HB LEU 64 -14.159 -10.726 -12.885 509 HG LEU 64 HG LEU 64 -14.903 -10.438 -10.495 510 HD11 LEU 64 1HD1 LEU 64 -16.088 -8.319 -10.742 511 HD12 LEU 64 2HD1 LEU 64 -17.134 -9.565 -10.064 512 HD13 LEU 64 3HD1 LEU 64 -17.297 -9.104 -11.759 513 HD21 LEU 64 3HD2 LEU 64 -15.508 -12.416 -11.780 514 HD22 LEU 64 1HD2 LEU 64 -16.920 -11.583 -12.431 515 HD23 LEU 64 2HD2 LEU 64 -16.826 -11.947 -10.708 516 H GLU 65 H GLU 65 -11.298 -8.404 -12.240 517 HA GLU 65 HA GLU 65 -10.963 -7.745 -15.069 518 HB2 GLU 65 2HB GLU 65 -10.107 -6.268 -13.227 519 HB3 GLU 65 3HB GLU 65 -8.967 -7.536 -12.807 520 HG2 GLU 65 2HG GLU 65 -7.815 -7.295 -14.885 521 HG3 GLU 65 3HG GLU 65 -9.065 -6.221 -15.516 522 H HIS 66 H HIS 66 -11.160 -10.574 -13.742 523 HA HIS 66 HA HIS 66 -8.706 -11.860 -14.522 524 HB2 HIS 66 2HB HIS 66 -11.458 -13.039 -14.014 525 HB3 HIS 66 3HB HIS 66 -9.983 -13.971 -14.231 526 HD1 HIS 66 HD1 HIS 66 -8.432 -14.209 -12.220 527 HD2 HIS 66 HD2 HIS 66 -11.658 -11.682 -11.515 528 HE1 HIS 66 HE1 HIS 66 -8.437 -13.800 -9.749 529 HE2 HIS 66 HE2 HIS 66 -10.522 -12.467 -9.325 530 H HIS 67 H HIS 67 -8.098 -12.262 -16.577 531 HA HIS 67 HA HIS 67 -9.629 -11.461 -18.776 532 HB2 HIS 67 2HB HIS 67 -7.107 -13.075 -18.526 533 HB3 HIS 67 3HB HIS 67 -7.855 -12.820 -20.102 534 HD1 HIS 67 HD1 HIS 67 -6.367 -10.828 -17.238 535 HD2 HIS 67 HD2 HIS 67 -7.391 -10.377 -21.232 536 HE1 HIS 67 HE1 HIS 67 -5.525 -8.563 -17.893 537 HE2 HIS 67 HE2 HIS 67 -6.399 -8.221 -20.223 538 H HIS 68 H HIS 68 -11.214 -12.308 -19.826 539 HA HIS 68 HA HIS 68 -12.584 -14.598 -19.098 540 HB2 HIS 68 2HB HIS 68 -13.736 -12.879 -20.265 541 HB3 HIS 68 3HB HIS 68 -12.622 -12.945 -21.625 542 HD1 HIS 68 HD1 HIS 68 -13.604 -14.016 -23.598 543 HD2 HIS 68 HD2 HIS 68 -15.209 -15.568 -20.090 544 HE1 HIS 68 HE1 HIS 68 -15.310 -15.701 -24.329 545 HE2 HIS 68 HE2 HIS 68 -16.344 -16.549 -22.203 546 H HIS 69 H HIS 69 -11.968 -16.649 -19.225 547 HA HIS 69 HA HIS 69 -11.166 -18.634 -19.982 548 HB2 HIS 69 2HB HIS 69 -13.042 -18.167 -21.586 549 HB3 HIS 69 3HB HIS 69 -11.856 -17.527 -22.716 550 HD1 HIS 69 HD1 HIS 69 -12.693 -20.802 -20.954 551 HD2 HIS 69 HD2 HIS 69 -10.716 -19.408 -24.339 552 HE1 HIS 69 HE1 HIS 69 -12.066 -22.850 -22.262 553 HE2 HIS 69 HE2 HIS 69 -10.946 -21.981 -24.339 554 H HIS 70 H HIS 70 -9.163 -16.594 -19.628 555 HA HIS 70 HA HIS 70 -6.930 -16.281 -19.938 556 HB2 HIS 70 2HB HIS 70 -7.196 -18.853 -21.510 557 HB3 HIS 70 3HB HIS 70 -5.654 -18.060 -21.214 558 HD1 HIS 70 HD1 HIS 70 -8.230 -20.187 -19.580 559 HD2 HIS 70 HD2 HIS 70 -4.764 -18.150 -18.521 560 HE1 HIS 70 HE1 HIS 70 -7.580 -21.087 -17.332 561 HE2 HIS 70 HE2 HIS 70 -5.403 -19.952 -16.785 562 H HIS 71 H HIS 71 -8.855 -15.040 -21.755 563 HA HIS 71 HA HIS 71 -7.250 -14.692 -24.188 564 HB2 HIS 71 2HB HIS 71 -9.652 -15.050 -24.496 565 HB3 HIS 71 3HB HIS 71 -10.011 -13.657 -23.485 566 HD1 HIS 71 HD1 HIS 71 -8.596 -14.556 -26.855 567 HD2 HIS 71 HD2 HIS 71 -9.951 -11.214 -24.790 568 HE1 HIS 71 HE1 HIS 71 -8.735 -12.721 -28.562 569 HE2 HIS 71 HE2 HIS 71 -9.397 -10.674 -27.256 Start of MODEL 2 1 H1 MET 1 1H MET 1 -22.992 -25.531 -4.382 2 H2 MET 1 2H MET 1 -24.131 -24.752 -5.360 3 H3 MET 1 3H MET 1 -24.140 -24.503 -3.687 4 HA MET 1 HA MET 1 -21.962 -23.457 -3.812 5 HB2 MET 1 2HB MET 1 -22.367 -23.804 -6.797 6 HB3 MET 1 3HB MET 1 -21.100 -22.831 -6.063 7 HG2 MET 1 2HG MET 1 -21.445 -25.804 -5.715 8 HG3 MET 1 3HG MET 1 -20.285 -25.020 -6.787 9 HE1 MET 1 3HE MET 1 -17.890 -23.238 -4.256 10 HE2 MET 1 1HE MET 1 -19.293 -22.553 -5.081 11 HE3 MET 1 2HE MET 1 -18.192 -23.623 -5.950 12 HA PRO 2 HA PRO 2 -25.173 -20.227 -4.122 13 HB2 PRO 2 2HB PRO 2 -24.402 -18.799 -1.974 14 HB3 PRO 2 3HB PRO 2 -25.285 -20.322 -1.811 15 HG2 PRO 2 2HG PRO 2 -22.341 -19.803 -1.553 16 HG3 PRO 2 3HG PRO 2 -23.396 -20.782 -0.516 17 HD2 PRO 2 2HD PRO 2 -21.790 -21.851 -2.456 18 HD3 PRO 2 3HD PRO 2 -23.315 -22.596 -1.938 19 H THR 3 H THR 3 -21.774 -20.073 -4.449 20 HA THR 3 HA THR 3 -20.374 -18.669 -5.565 21 HB THR 3 HB THR 3 -22.800 -17.068 -6.441 22 HG1 THR 3 HG1 THR 3 -21.855 -18.953 -8.215 23 HG21 THR 3 3HG2 THR 3 -21.435 -16.601 -8.439 24 HG22 THR 3 1HG2 THR 3 -20.108 -17.533 -7.751 25 HG23 THR 3 2HG2 THR 3 -20.633 -16.042 -6.970 26 H LYS 4 H LYS 4 -21.367 -18.132 -2.789 27 HA LYS 4 HA LYS 4 -20.390 -15.371 -2.558 28 HB2 LYS 4 2HB LYS 4 -22.900 -15.338 -2.560 29 HB3 LYS 4 3HB LYS 4 -22.872 -16.345 -1.115 30 HG2 LYS 4 2HG LYS 4 -21.636 -14.558 0.068 31 HG3 LYS 4 3HG LYS 4 -21.767 -13.548 -1.374 32 HD2 LYS 4 2HD LYS 4 -24.257 -13.747 -1.202 33 HD3 LYS 4 3HD LYS 4 -24.036 -14.604 0.324 34 HE2 LYS 4 2HE LYS 4 -24.515 -12.304 0.813 35 HE3 LYS 4 3HE LYS 4 -22.821 -12.606 1.195 36 HZ1 LYS 4 3HZ LYS 4 -23.881 -11.248 -1.223 37 HZ2 LYS 4 1HZ LYS 4 -22.253 -11.639 -0.990 38 HZ3 LYS 4 2HZ LYS 4 -23.008 -10.536 0.040 39 HA PRO 5 HA PRO 5 -18.374 -17.769 0.787 40 HB2 PRO 5 2HB PRO 5 -15.924 -16.395 0.134 41 HB3 PRO 5 3HB PRO 5 -16.315 -18.098 -0.110 42 HG2 PRO 5 2HG PRO 5 -15.936 -16.297 -2.160 43 HG3 PRO 5 3HG PRO 5 -16.901 -17.778 -2.300 44 HD2 PRO 5 2HD PRO 5 -17.823 -14.954 -1.818 45 HD3 PRO 5 3HD PRO 5 -18.509 -16.195 -2.896 46 HA PRO 6 HA PRO 6 -18.588 -14.440 3.756 47 HB2 PRO 6 2HB PRO 6 -17.054 -15.464 5.772 48 HB3 PRO 6 3HB PRO 6 -18.693 -16.021 5.414 49 HG2 PRO 6 2HG PRO 6 -16.067 -17.234 4.629 50 HG3 PRO 6 3HG PRO 6 -17.533 -18.032 5.230 51 HD2 PRO 6 2HD PRO 6 -16.881 -17.986 2.600 52 HD3 PRO 6 3HD PRO 6 -18.566 -17.970 3.159 53 H TYR 7 H TYR 7 -15.277 -15.743 3.280 54 HA TYR 7 HA TYR 7 -14.300 -12.978 3.060 55 HB2 TYR 7 2HB TYR 7 -13.159 -15.102 4.870 56 HB3 TYR 7 3HB TYR 7 -12.187 -13.750 4.306 57 HD1 TYR 7 HD2 TYR 7 -12.973 -11.393 4.852 58 HD2 TYR 7 HD1 TYR 7 -14.595 -14.851 6.738 59 HE1 TYR 7 HE2 TYR 7 -13.822 -9.990 6.680 60 HE2 TYR 7 HE1 TYR 7 -15.446 -13.451 8.569 61 HH TYR 7 HH TYR 7 -15.551 -10.050 8.388 62 HA PRO 8 HA PRO 8 -12.343 -15.398 -0.299 63 HB2 PRO 8 2HB PRO 8 -13.564 -14.338 -2.407 64 HB3 PRO 8 3HB PRO 8 -14.414 -15.491 -1.372 65 HG2 PRO 8 2HG PRO 8 -14.690 -12.520 -1.514 66 HG3 PRO 8 3HG PRO 8 -15.930 -13.750 -1.216 67 HD2 PRO 8 2HD PRO 8 -14.557 -12.211 0.738 68 HD3 PRO 8 3HD PRO 8 -15.618 -13.604 1.035 69 H ARG 9 H ARG 9 -12.227 -12.230 0.789 70 HA ARG 9 HA ARG 9 -9.820 -11.544 -0.528 71 HB2 ARG 9 2HB ARG 9 -10.756 -9.567 -1.831 72 HB3 ARG 9 3HB ARG 9 -11.050 -11.161 -2.514 73 HG2 ARG 9 2HG ARG 9 -13.321 -11.143 -1.848 74 HG3 ARG 9 3HG ARG 9 -13.076 -9.756 -0.786 75 HD2 ARG 9 2HD ARG 9 -12.753 -9.652 -3.785 76 HD3 ARG 9 3HD ARG 9 -14.249 -9.245 -2.942 77 HE ARG 9 HE ARG 9 -12.168 -7.752 -1.814 78 HH11 ARG 9 1HH1 ARG 9 -13.879 -7.966 -4.802 79 HH12 ARG 9 2HH1 ARG 9 -13.675 -6.290 -5.154 80 HH21 ARG 9 1HH2 ARG 9 -11.902 -5.643 -2.275 81 HH22 ARG 9 2HH2 ARG 9 -12.560 -4.988 -3.734 82 H GLU 10 H GLU 10 -8.775 -9.966 0.576 83 HA GLU 10 HA GLU 10 -10.233 -7.717 1.678 84 HB2 GLU 10 2HB GLU 10 -10.280 -9.136 3.623 85 HB3 GLU 10 3HB GLU 10 -8.573 -9.531 3.448 86 HG2 GLU 10 2HG GLU 10 -7.950 -7.256 3.992 87 HG3 GLU 10 3HG GLU 10 -9.643 -6.770 4.036 88 H ALA 11 H ALA 11 -9.058 -5.852 1.623 89 HA ALA 11 HA ALA 11 -6.272 -6.028 0.680 90 HB1 ALA 11 3HB ALA 11 -7.817 -4.713 -0.696 91 HB2 ALA 11 1HB ALA 11 -6.533 -3.707 -0.024 92 HB3 ALA 11 2HB ALA 11 -8.148 -3.661 0.679 93 H TYR 12 H TYR 12 -4.573 -4.993 1.752 94 HA TYR 12 HA TYR 12 -5.150 -3.594 4.259 95 HB2 TYR 12 2HB TYR 12 -3.408 -4.888 5.464 96 HB3 TYR 12 3HB TYR 12 -4.773 -5.879 4.967 97 HD1 TYR 12 HD1 TYR 12 -4.516 -7.546 3.161 98 HD2 TYR 12 HD2 TYR 12 -1.193 -5.269 4.553 99 HE1 TYR 12 HE1 TYR 12 -2.978 -9.136 2.080 100 HE2 TYR 12 HE2 TYR 12 0.347 -6.850 3.471 101 HH TYR 12 HH TYR 12 -0.630 -9.146 1.196 102 H ILE 13 H ILE 13 -3.640 -2.075 4.895 103 HA ILE 13 HA ILE 13 -1.784 -1.220 2.793 104 HB ILE 13 HB ILE 13 -2.689 0.262 5.278 105 HG12 ILE 13 2HG1 ILE 13 -3.627 0.582 2.407 106 HG13 ILE 13 3HG1 ILE 13 -4.537 -0.232 3.672 107 HG21 ILE 13 1HG2 ILE 13 -1.797 2.260 4.151 108 HG22 ILE 13 2HG2 ILE 13 -1.202 1.247 2.834 109 HG23 ILE 13 3HG2 ILE 13 -0.538 1.063 4.457 110 HD11 ILE 13 3HD1 ILE 13 -5.345 2.026 3.275 111 HD12 ILE 13 1HD1 ILE 13 -3.755 2.674 3.672 112 HD13 ILE 13 2HD1 ILE 13 -4.707 1.852 4.910 113 H VAL 14 H VAL 14 0.410 -0.991 3.092 114 HA VAL 14 HA VAL 14 1.554 -1.892 5.664 115 HB VAL 14 HB VAL 14 2.738 -2.369 2.915 116 HG11 VAL 14 1HG1 VAL 14 4.434 -2.190 4.644 117 HG12 VAL 14 2HG1 VAL 14 4.293 -3.864 4.112 118 HG13 VAL 14 3HG1 VAL 14 3.577 -3.364 5.643 119 HG21 VAL 14 3HG2 VAL 14 0.715 -3.704 3.200 120 HG22 VAL 14 1HG2 VAL 14 1.317 -4.320 4.741 121 HG23 VAL 14 2HG2 VAL 14 2.148 -4.734 3.241 122 H THR 15 H THR 15 3.281 -0.730 6.483 123 HA THR 15 HA THR 15 3.912 1.801 5.110 124 HB THR 15 HB THR 15 4.749 2.577 7.318 125 HG1 THR 15 HG1 THR 15 4.679 1.274 9.066 126 HG21 THR 15 3HG2 THR 15 2.565 2.772 8.408 127 HG22 THR 15 1HG2 THR 15 1.932 1.474 7.394 128 HG23 THR 15 2HG2 THR 15 2.417 3.007 6.667 129 H ILE 16 H ILE 16 5.758 1.801 3.969 130 HA ILE 16 HA ILE 16 8.096 0.333 5.055 131 HB ILE 16 HB ILE 16 8.891 -0.078 2.807 132 HG12 ILE 16 2HG1 ILE 16 6.343 1.206 1.782 133 HG13 ILE 16 3HG1 ILE 16 7.903 2.018 1.805 134 HG21 ILE 16 1HG2 ILE 16 7.368 -1.723 3.793 135 HG22 ILE 16 2HG2 ILE 16 7.196 -1.668 2.040 136 HG23 ILE 16 3HG2 ILE 16 5.991 -0.891 3.068 137 HD11 ILE 16 3HD1 ILE 16 7.396 1.124 -0.393 138 HD12 ILE 16 1HD1 ILE 16 7.252 -0.496 0.287 139 HD13 ILE 16 2HD1 ILE 16 8.810 0.329 0.302 140 H GLU 17 H GLU 17 10.199 1.193 3.951 141 HA GLU 17 HA GLU 17 10.126 4.087 3.479 142 HB2 GLU 17 2HB GLU 17 12.020 4.456 5.019 143 HB3 GLU 17 3HB GLU 17 10.580 3.898 5.856 144 HG2 GLU 17 2HG GLU 17 11.518 1.632 5.952 145 HG3 GLU 17 3HG GLU 17 12.970 2.204 5.132 146 H LYS 18 H LYS 18 11.489 4.710 1.873 147 HA LYS 18 HA LYS 18 13.445 2.709 0.889 148 HB2 LYS 18 2HB LYS 18 11.806 4.711 -0.684 149 HB3 LYS 18 3HB LYS 18 13.068 3.695 -1.373 150 HG2 LYS 18 2HG LYS 18 11.803 1.697 -0.757 151 HG3 LYS 18 3HG LYS 18 10.539 2.710 -0.055 152 HD2 LYS 18 2HD LYS 18 10.069 3.682 -2.239 153 HD3 LYS 18 3HD LYS 18 11.387 2.755 -2.959 154 HE2 LYS 18 2HE LYS 18 10.233 0.675 -2.467 155 HE3 LYS 18 3HE LYS 18 8.945 1.555 -1.643 156 HZ1 LYS 18 3HZ LYS 18 8.388 2.622 -3.741 157 HZ2 LYS 18 1HZ LYS 18 8.292 0.938 -3.875 158 HZ3 LYS 18 2HZ LYS 18 9.616 1.765 -4.528 159 H GLY 19 H GLY 19 15.321 3.587 -0.280 160 HA2 GLY 19 2HA GLY 19 16.803 5.395 -0.806 161 HA3 GLY 19 3HA GLY 19 16.055 6.345 0.466 162 H LYS 20 H LYS 20 17.909 6.850 1.598 163 HA LYS 20 HA LYS 20 19.878 4.773 2.176 164 HB2 LYS 20 2HB LYS 20 19.907 7.727 2.838 165 HB3 LYS 20 3HB LYS 20 21.256 6.616 3.034 166 HG2 LYS 20 2HG LYS 20 21.309 6.265 0.602 167 HG3 LYS 20 3HG LYS 20 19.971 7.404 0.420 168 HD2 LYS 20 2HD LYS 20 21.356 9.177 1.421 169 HD3 LYS 20 3HD LYS 20 22.695 8.038 1.571 170 HE2 LYS 20 2HE LYS 20 22.736 7.770 -0.866 171 HE3 LYS 20 3HE LYS 20 21.404 8.921 -1.014 172 HZ1 LYS 20 3HZ LYS 20 23.517 9.990 -1.416 173 HZ2 LYS 20 1HZ LYS 20 24.094 9.502 0.094 174 HZ3 LYS 20 2HZ LYS 20 22.822 10.611 -0.008 175 HA PRO 21 HA PRO 21 18.754 3.904 6.417 176 HB2 PRO 21 2HB PRO 21 21.300 4.100 7.571 177 HB3 PRO 21 3HB PRO 21 20.607 2.647 6.844 178 HG2 PRO 21 2HG PRO 21 22.490 4.648 5.657 179 HG3 PRO 21 3HG PRO 21 22.463 2.884 5.471 180 HD2 PRO 21 2HD PRO 21 21.558 4.478 3.529 181 HD3 PRO 21 3HD PRO 21 20.730 2.951 3.909 182 H GLY 22 H GLY 22 17.798 5.321 7.774 183 HA2 GLY 22 2HA GLY 22 17.631 7.144 9.237 184 HA3 GLY 22 3HA GLY 22 19.183 7.731 8.660 185 H GLN 23 H GLN 23 18.864 8.027 6.005 186 HA GLN 23 HA GLN 23 16.828 10.123 5.791 187 HB2 GLN 23 2HB GLN 23 19.087 9.441 3.890 188 HB3 GLN 23 3HB GLN 23 18.040 10.849 3.784 189 HG2 GLN 23 2HG GLN 23 19.654 10.411 6.259 190 HG3 GLN 23 3HG GLN 23 20.446 11.015 4.810 191 HE21 GLN 23 1HE2 GLN 23 17.130 11.856 5.651 192 HE22 GLN 23 2HE2 GLN 23 17.464 13.504 6.003 193 H THR 24 H THR 24 15.089 8.540 5.680 194 HA THR 24 HA THR 24 14.859 7.224 3.040 195 HB THR 24 HB THR 24 13.250 5.634 4.160 196 HG1 THR 24 HG1 THR 24 13.655 5.485 6.522 197 HG21 THR 24 3HG2 THR 24 15.563 4.984 3.648 198 HG22 THR 24 1HG2 THR 24 14.986 4.225 5.132 199 HG23 THR 24 2HG2 THR 24 16.080 5.604 5.217 200 H VAL 25 H VAL 25 12.683 6.941 2.201 201 HA VAL 25 HA VAL 25 10.900 9.194 2.893 202 HB VAL 25 HB VAL 25 11.035 7.616 0.308 203 HG11 VAL 25 1HG1 VAL 25 8.804 8.477 0.695 204 HG12 VAL 25 2HG1 VAL 25 9.582 9.402 -0.590 205 HG13 VAL 25 3HG1 VAL 25 9.451 10.085 1.030 206 HG21 VAL 25 3HG2 VAL 25 13.040 8.969 0.613 207 HG22 VAL 25 1HG2 VAL 25 12.049 10.394 0.929 208 HG23 VAL 25 2HG2 VAL 25 12.028 9.641 -0.666 209 H THR 26 H THR 26 8.895 8.780 3.645 210 HA THR 26 HA THR 26 8.159 6.080 4.317 211 HB THR 26 HB THR 26 6.550 8.633 4.638 212 HG1 THR 26 HG1 THR 26 8.630 8.485 5.794 213 HG21 THR 26 3HG2 THR 26 6.212 5.919 5.940 214 HG22 THR 26 1HG2 THR 26 5.123 6.645 4.756 215 HG23 THR 26 2HG2 THR 26 5.301 7.372 6.354 216 H TRP 27 H TRP 27 7.236 4.715 2.913 217 HA TRP 27 HA TRP 27 5.255 5.769 0.986 218 HB2 TRP 27 2HB TRP 27 7.213 3.489 0.719 219 HB3 TRP 27 3HB TRP 27 5.805 3.630 -0.326 220 HD1 TRP 27 HD1 TRP 27 9.259 5.125 0.258 221 HE1 TRP 27 HE1 TRP 27 9.821 6.699 -1.701 222 HE3 TRP 27 HE3 TRP 27 4.686 5.221 -2.042 223 HZ2 TRP 27 HZ2 TRP 27 8.495 7.835 -3.925 224 HZ3 TRP 27 HZ3 TRP 27 4.417 6.574 -4.079 225 HH2 TRP 27 HH2 TRP 27 6.284 7.856 -5.001 226 H TYR 28 H TYR 28 3.307 4.729 0.757 227 HA TYR 28 HA TYR 28 2.701 2.583 2.692 228 HB2 TYR 28 2HB TYR 28 0.847 4.611 1.407 229 HB3 TYR 28 3HB TYR 28 0.330 3.316 2.482 230 HD1 TYR 28 HD2 TYR 28 2.291 6.457 2.311 231 HD2 TYR 28 HD1 TYR 28 0.507 3.537 4.852 232 HE1 TYR 28 HE2 TYR 28 2.656 7.924 4.248 233 HE2 TYR 28 HE1 TYR 28 0.878 4.995 6.797 234 HH TYR 28 HH TYR 28 2.325 6.840 7.466 235 H GLN 29 H GLN 29 2.584 0.625 1.792 236 HA GLN 29 HA GLN 29 1.905 0.336 -1.051 237 HB2 GLN 29 2HB GLN 29 3.018 -1.662 0.931 238 HB3 GLN 29 3HB GLN 29 2.678 -2.010 -0.758 239 HG2 GLN 29 2HG GLN 29 4.337 -0.287 -1.399 240 HG3 GLN 29 3HG GLN 29 4.726 -0.073 0.310 241 HE21 GLN 29 1HE2 GLN 29 6.429 -0.986 -1.881 242 HE22 GLN 29 2HE2 GLN 29 7.009 -2.542 -1.405 243 H LEU 30 H LEU 30 -0.099 -0.269 -1.646 244 HA LEU 30 HA LEU 30 -1.887 -1.518 0.300 245 HB2 LEU 30 2HB LEU 30 -2.770 0.265 -1.131 246 HB3 LEU 30 3HB LEU 30 -2.362 -0.664 -2.562 247 HG LEU 30 HG LEU 30 -3.985 -2.414 -1.855 248 HD11 LEU 30 1HD1 LEU 30 -4.691 -0.433 0.310 249 HD12 LEU 30 2HD1 LEU 30 -3.971 -2.026 0.542 250 HD13 LEU 30 3HD1 LEU 30 -5.610 -1.884 -0.090 251 HD21 LEU 30 3HD2 LEU 30 -5.143 0.362 -2.117 252 HD22 LEU 30 1HD2 LEU 30 -5.997 -1.152 -2.423 253 HD23 LEU 30 2HD2 LEU 30 -4.641 -0.682 -3.447 254 H ARG 31 H ARG 31 -1.833 -3.670 0.537 255 HA ARG 31 HA ARG 31 -1.333 -5.357 -1.845 256 HB2 ARG 31 2HB ARG 31 -0.480 -5.914 1.009 257 HB3 ARG 31 3HB ARG 31 -0.238 -6.992 -0.359 258 HG2 ARG 31 2HG ARG 31 1.213 -5.297 -1.411 259 HG3 ARG 31 3HG ARG 31 1.002 -4.262 0.005 260 HD2 ARG 31 2HD ARG 31 2.022 -5.977 1.419 261 HD3 ARG 31 3HD ARG 31 2.203 -7.040 0.024 262 HE ARG 31 HE ARG 31 3.645 -4.486 0.379 263 HH11 ARG 31 1HH1 ARG 31 3.441 -7.682 -0.890 264 HH12 ARG 31 2HH1 ARG 31 5.052 -7.655 -1.513 265 HH21 ARG 31 1HH2 ARG 31 5.720 -4.480 -0.397 266 HH22 ARG 31 2HH2 ARG 31 6.327 -5.866 -1.234 267 H ALA 32 H ALA 32 -2.474 -7.372 -1.937 268 HA ALA 32 HA ALA 32 -4.787 -7.554 -0.093 269 HB1 ALA 32 3HB ALA 32 -5.474 -6.776 -2.316 270 HB2 ALA 32 1HB ALA 32 -6.149 -8.364 -1.943 271 HB3 ALA 32 2HB ALA 32 -4.771 -8.224 -3.037 272 H ASP 33 H ASP 33 -5.792 -9.789 -0.054 273 HA ASP 33 HA ASP 33 -3.698 -11.770 0.321 274 HB2 ASP 33 2HB ASP 33 -5.430 -13.126 1.360 275 HB3 ASP 33 3HB ASP 33 -5.507 -11.485 1.991 276 H HIS 34 H HIS 34 -6.328 -11.146 -1.901 277 HA HIS 34 HA HIS 34 -5.513 -13.475 -3.526 278 HB2 HIS 34 2HB HIS 34 -8.211 -12.133 -3.254 279 HB3 HIS 34 3HB HIS 34 -7.835 -13.249 -4.562 280 HD1 HIS 34 HD1 HIS 34 -8.346 -13.160 -0.825 281 HD2 HIS 34 HD2 HIS 34 -7.851 -15.937 -3.877 282 HE1 HIS 34 HE1 HIS 34 -8.867 -15.390 0.201 283 HE2 HIS 34 HE2 HIS 34 -8.412 -17.062 -1.619 284 HA PRO 35 HA PRO 35 -6.018 -14.149 -5.799 285 HB2 PRO 35 2HB PRO 35 -4.158 -14.507 -7.733 286 HB3 PRO 35 3HB PRO 35 -5.732 -13.771 -8.061 287 HG2 PRO 35 2HG PRO 35 -3.088 -12.427 -7.577 288 HG3 PRO 35 3HG PRO 35 -4.288 -12.102 -8.845 289 HD2 PRO 35 2HD PRO 35 -4.108 -10.593 -6.604 290 HD3 PRO 35 3HD PRO 35 -5.660 -10.903 -7.411 291 H LYS 36 H LYS 36 -3.186 -12.464 -4.779 292 HA LYS 36 HA LYS 36 -2.310 -14.805 -3.296 293 HB2 LYS 36 2HB LYS 36 0.019 -14.674 -4.030 294 HB3 LYS 36 3HB LYS 36 -1.039 -15.021 -5.387 295 HG2 LYS 36 2HG LYS 36 -0.859 -12.773 -6.198 296 HG3 LYS 36 3HG LYS 36 0.007 -12.268 -4.744 297 HD2 LYS 36 2HD LYS 36 1.575 -12.573 -6.579 298 HD3 LYS 36 3HD LYS 36 1.853 -13.790 -5.335 299 HE2 LYS 36 2HE LYS 36 0.561 -15.420 -6.673 300 HE3 LYS 36 3HE LYS 36 0.360 -14.198 -7.930 301 HZ1 LYS 36 3HZ LYS 36 2.953 -15.301 -6.990 302 HZ2 LYS 36 1HZ LYS 36 2.761 -14.145 -8.210 303 HZ3 LYS 36 2HZ LYS 36 2.175 -15.717 -8.430 304 HA PRO 37 HA PRO 37 -1.552 -11.847 -0.102 305 HB2 PRO 37 2HB PRO 37 0.954 -13.330 0.536 306 HB3 PRO 37 3HB PRO 37 -0.439 -12.970 1.568 307 HG2 PRO 37 2HG PRO 37 -0.059 -15.433 0.629 308 HG3 PRO 37 3HG PRO 37 -1.691 -14.741 0.716 309 HD2 PRO 37 2HD PRO 37 0.113 -15.047 -1.661 310 HD3 PRO 37 3HD PRO 37 -1.636 -15.330 -1.533 311 H ASP 38 H ASP 38 1.013 -12.588 -2.331 312 HA ASP 38 HA ASP 38 2.669 -10.335 -1.626 313 HB2 ASP 38 2HB ASP 38 2.838 -12.080 -4.088 314 HB3 ASP 38 3HB ASP 38 4.121 -11.110 -3.371 315 H SER 39 H SER 39 -0.230 -10.368 -3.103 316 HA SER 39 HA SER 39 0.183 -9.032 -5.564 317 HB2 SER 39 2HB SER 39 -2.226 -8.526 -5.495 318 HB3 SER 39 3HB SER 39 -1.918 -10.205 -5.051 319 HG SER 39 HG SER 39 -2.440 -9.781 -2.993 320 H LEU 40 H LEU 40 1.318 -7.182 -5.601 321 HA LEU 40 HA LEU 40 0.724 -5.036 -3.707 322 HB2 LEU 40 2HB LEU 40 3.072 -5.515 -4.267 323 HB3 LEU 40 3HB LEU 40 2.743 -5.184 -5.958 324 HG LEU 40 HG LEU 40 2.249 -2.832 -5.402 325 HD11 LEU 40 1HD1 LEU 40 2.767 -1.956 -3.176 326 HD12 LEU 40 2HD1 LEU 40 3.056 -3.596 -2.595 327 HD13 LEU 40 3HD1 LEU 40 1.443 -3.118 -3.127 328 HD21 LEU 40 3HD2 LEU 40 4.506 -3.439 -6.077 329 HD22 LEU 40 1HD2 LEU 40 4.929 -3.809 -4.405 330 HD23 LEU 40 2HD2 LEU 40 4.552 -2.151 -4.873 331 H ILE 41 H ILE 41 -1.003 -3.825 -4.146 332 HA ILE 41 HA ILE 41 -2.080 -3.542 -6.794 333 HB ILE 41 HB ILE 41 -2.883 -2.083 -4.267 334 HG12 ILE 41 2HG1 ILE 41 -3.064 -4.505 -3.949 335 HG13 ILE 41 3HG1 ILE 41 -4.667 -3.794 -4.080 336 HG21 ILE 41 1HG2 ILE 41 -3.699 -0.976 -6.281 337 HG22 ILE 41 2HG2 ILE 41 -5.035 -1.735 -5.415 338 HG23 ILE 41 3HG2 ILE 41 -4.379 -2.496 -6.865 339 HD11 ILE 41 3HD1 ILE 41 -4.798 -4.545 -6.411 340 HD12 ILE 41 1HD1 ILE 41 -4.553 -5.886 -5.292 341 HD13 ILE 41 2HD1 ILE 41 -3.202 -5.282 -6.253 342 H SER 42 H SER 42 -0.655 -1.220 -4.454 343 HA SER 42 HA SER 42 0.691 0.239 -6.503 344 HB2 SER 42 2HB SER 42 -0.535 2.362 -6.362 345 HB3 SER 42 3HB SER 42 -1.598 1.076 -6.936 346 HG SER 42 HG SER 42 -2.700 1.136 -5.099 347 H GLU 43 H GLU 43 1.922 2.050 -5.703 348 HA GLU 43 HA GLU 43 2.278 2.073 -2.763 349 HB2 GLU 43 2HB GLU 43 4.317 2.731 -4.910 350 HB3 GLU 43 3HB GLU 43 4.598 2.781 -3.176 351 HG2 GLU 43 2HG GLU 43 4.187 0.346 -3.068 352 HG3 GLU 43 3HG GLU 43 3.995 0.326 -4.823 353 H HIS 44 H HIS 44 1.664 3.936 -1.790 354 HA HIS 44 HA HIS 44 1.793 6.443 -3.353 355 HB2 HIS 44 2HB HIS 44 -0.419 5.550 -1.491 356 HB3 HIS 44 3HB HIS 44 -0.277 7.181 -2.137 357 HD1 HIS 44 HD1 HIS 44 -0.683 7.470 -4.722 358 HD2 HIS 44 HD2 HIS 44 -1.475 3.666 -3.240 359 HE1 HIS 44 HE1 HIS 44 -2.006 6.312 -6.512 360 HE2 HIS 44 HE2 HIS 44 -2.367 3.977 -5.650 361 HA PRO 45 HA PRO 45 4.206 7.952 0.036 362 HB2 PRO 45 2HB PRO 45 4.021 10.622 -0.377 363 HB3 PRO 45 3HB PRO 45 4.941 9.554 -1.443 364 HG2 PRO 45 2HG PRO 45 2.168 10.644 -1.796 365 HG3 PRO 45 3HG PRO 45 3.490 10.552 -2.977 366 HD2 PRO 45 2HD PRO 45 1.461 8.753 -2.914 367 HD3 PRO 45 3HD PRO 45 3.106 8.315 -3.417 368 H THR 46 H THR 46 0.872 9.091 -0.299 369 HA THR 46 HA THR 46 0.871 9.914 2.539 370 HB THR 46 HB THR 46 -1.127 11.174 2.130 371 HG1 THR 46 HG1 THR 46 -1.270 10.677 -0.598 372 HG21 THR 46 3HG2 THR 46 0.786 11.604 -0.174 373 HG22 THR 46 1HG2 THR 46 0.947 12.286 1.446 374 HG23 THR 46 2HG2 THR 46 -0.398 12.772 0.413 375 H ALA 47 H ALA 47 -0.639 9.104 3.997 376 HA ALA 47 HA ALA 47 -1.616 6.482 3.631 377 HB1 ALA 47 3HB ALA 47 -2.818 6.832 5.744 378 HB2 ALA 47 1HB ALA 47 -2.468 8.560 5.653 379 HB3 ALA 47 2HB ALA 47 -1.151 7.400 5.844 380 H GLN 48 H GLN 48 -3.065 9.628 3.047 381 HA GLN 48 HA GLN 48 -5.775 8.960 2.942 382 HB2 GLN 48 2HB GLN 48 -4.842 11.264 2.875 383 HB3 GLN 48 3HB GLN 48 -4.312 10.981 1.226 384 HG2 GLN 48 2HG GLN 48 -6.367 12.288 1.308 385 HG3 GLN 48 3HG GLN 48 -6.612 10.747 0.492 386 HE21 GLN 48 1HE2 GLN 48 -7.966 9.238 1.402 387 HE22 GLN 48 2HE2 GLN 48 -8.982 9.582 2.756 388 H GLU 49 H GLU 49 -3.475 9.143 0.205 389 HA GLU 49 HA GLU 49 -5.126 8.127 -1.799 390 HB2 GLU 49 2HB GLU 49 -2.143 7.766 -1.441 391 HB3 GLU 49 3HB GLU 49 -3.017 7.456 -2.933 392 HG2 GLU 49 2HG GLU 49 -3.557 9.778 -3.173 393 HG3 GLU 49 3HG GLU 49 -2.898 10.142 -1.575 394 H ALA 50 H ALA 50 -3.041 6.380 0.491 395 HA ALA 50 HA ALA 50 -3.422 3.788 -0.540 396 HB1 ALA 50 3HB ALA 50 -2.815 4.618 2.298 397 HB2 ALA 50 1HB ALA 50 -1.631 4.335 1.021 398 HB3 ALA 50 2HB ALA 50 -2.608 2.999 1.629 399 H MET 51 H MET 51 -5.216 5.593 1.940 400 HA MET 51 HA MET 51 -7.036 3.536 2.634 401 HB2 MET 51 2HB MET 51 -7.324 6.545 2.785 402 HB3 MET 51 3HB MET 51 -8.444 5.408 3.523 403 HG2 MET 51 2HG MET 51 -6.694 4.578 4.974 404 HG3 MET 51 3HG MET 51 -5.511 5.617 4.185 405 HE1 MET 51 3HE MET 51 -5.842 7.299 7.697 406 HE2 MET 51 1HE MET 51 -4.731 6.650 6.491 407 HE3 MET 51 2HE MET 51 -5.855 5.576 7.325 408 H ASP 52 H ASP 52 -7.346 6.270 0.347 409 HA ASP 52 HA ASP 52 -9.918 5.615 -0.591 410 HB2 ASP 52 2HB ASP 52 -7.655 7.150 -1.865 411 HB3 ASP 52 3HB ASP 52 -9.246 7.005 -2.605 412 H ALA 53 H ALA 53 -6.721 4.583 -1.691 413 HA ALA 53 HA ALA 53 -7.572 3.119 -3.957 414 HB1 ALA 53 3HB ALA 53 -5.129 2.717 -2.223 415 HB2 ALA 53 1HB ALA 53 -5.242 3.749 -3.649 416 HB3 ALA 53 2HB ALA 53 -5.383 1.998 -3.815 417 H LYS 54 H LYS 54 -7.038 2.151 -0.564 418 HA LYS 54 HA LYS 54 -7.666 -0.578 -0.849 419 HB2 LYS 54 2HB LYS 54 -6.602 0.234 1.172 420 HB3 LYS 54 3HB LYS 54 -7.983 1.264 1.535 421 HG2 LYS 54 2HG LYS 54 -9.383 -0.682 1.908 422 HG3 LYS 54 3HG LYS 54 -8.055 -1.751 1.452 423 HD2 LYS 54 2HD LYS 54 -6.762 -1.004 3.379 424 HD3 LYS 54 3HD LYS 54 -8.034 0.142 3.812 425 HE2 LYS 54 2HE LYS 54 -9.579 -1.670 4.224 426 HE3 LYS 54 3HE LYS 54 -8.399 -2.853 3.666 427 HZ1 LYS 54 3HZ LYS 54 -8.174 -1.145 6.087 428 HZ2 LYS 54 1HZ LYS 54 -6.962 -2.182 5.526 429 HZ3 LYS 54 2HZ LYS 54 -8.439 -2.813 6.052 430 H LYS 55 H LYS 55 -9.761 2.104 0.242 431 HA LYS 55 HA LYS 55 -12.163 0.693 0.402 432 HB2 LYS 55 2HB LYS 55 -11.722 3.603 -0.324 433 HB3 LYS 55 3HB LYS 55 -13.270 2.907 0.134 434 HG2 LYS 55 2HG LYS 55 -12.437 2.395 2.346 435 HG3 LYS 55 3HG LYS 55 -10.826 2.965 1.904 436 HD2 LYS 55 2HD LYS 55 -13.341 4.647 2.015 437 HD3 LYS 55 3HD LYS 55 -12.038 4.657 3.204 438 HE2 LYS 55 2HE LYS 55 -10.479 5.386 1.399 439 HE3 LYS 55 3HE LYS 55 -11.856 5.497 0.305 440 HZ1 LYS 55 3HZ LYS 55 -12.823 7.160 1.781 441 HZ2 LYS 55 1HZ LYS 55 -11.304 7.646 1.214 442 HZ3 LYS 55 2HZ LYS 55 -11.473 7.067 2.795 443 H ARG 56 H ARG 56 -10.779 2.449 -2.366 444 HA ARG 56 HA ARG 56 -12.862 2.120 -4.191 445 HB2 ARG 56 2HB ARG 56 -10.833 3.564 -4.508 446 HB3 ARG 56 3HB ARG 56 -9.908 2.111 -4.856 447 HG2 ARG 56 2HG ARG 56 -11.324 1.662 -6.798 448 HG3 ARG 56 3HG ARG 56 -12.276 3.105 -6.444 449 HD2 ARG 56 2HD ARG 56 -9.362 2.985 -7.234 450 HD3 ARG 56 3HD ARG 56 -10.698 3.621 -8.192 451 HE ARG 56 HE ARG 56 -9.231 4.992 -6.170 452 HH11 ARG 56 1HH1 ARG 56 -12.342 4.783 -7.632 453 HH12 ARG 56 2HH1 ARG 56 -12.761 6.400 -7.202 454 HH21 ARG 56 1HH2 ARG 56 -9.777 7.087 -5.663 455 HH22 ARG 56 2HH2 ARG 56 -11.341 7.684 -6.099 456 H TYR 57 H TYR 57 -10.066 0.018 -3.563 457 HA TYR 57 HA TYR 57 -10.728 -2.025 -5.391 458 HB2 TYR 57 2HB TYR 57 -8.509 -1.893 -4.394 459 HB3 TYR 57 3HB TYR 57 -9.178 -2.146 -2.788 460 HD1 TYR 57 HD1 TYR 57 -8.568 -3.786 -6.062 461 HD2 TYR 57 HD2 TYR 57 -9.566 -4.346 -1.959 462 HE1 TYR 57 HE1 TYR 57 -8.242 -6.209 -6.316 463 HE2 TYR 57 HE2 TYR 57 -9.239 -6.768 -2.205 464 HH TYR 57 HH TYR 57 -7.674 -8.170 -4.800 465 H GLU 58 H GLU 58 -11.494 -1.621 -1.941 466 HA GLU 58 HA GLU 58 -12.923 -4.106 -1.755 467 HB2 GLU 58 2HB GLU 58 -12.656 -1.790 0.171 468 HB3 GLU 58 3HB GLU 58 -13.440 -3.316 0.559 469 HG2 GLU 58 2HG GLU 58 -10.573 -3.139 -0.350 470 HG3 GLU 58 3HG GLU 58 -11.051 -3.038 1.343 471 H ASP 59 H ASP 59 -13.889 -1.596 -3.455 472 HA ASP 59 HA ASP 59 -16.669 -1.582 -2.589 473 HB2 ASP 59 2HB ASP 59 -15.219 -0.242 -4.874 474 HB3 ASP 59 3HB ASP 59 -16.975 -0.224 -4.744 475 HA PRO 60 HA PRO 60 -17.653 -5.125 -5.174 476 HB2 PRO 60 2HB PRO 60 -20.357 -5.012 -4.980 477 HB3 PRO 60 3HB PRO 60 -19.336 -5.560 -3.645 478 HG2 PRO 60 2HG PRO 60 -20.572 -2.859 -4.094 479 HG3 PRO 60 3HG PRO 60 -20.503 -3.823 -2.605 480 HD2 PRO 60 2HD PRO 60 -18.798 -1.769 -3.096 481 HD3 PRO 60 3HD PRO 60 -18.324 -3.196 -2.152 482 H ASP 61 H ASP 61 -17.737 -2.043 -6.091 483 HA ASP 61 HA ASP 61 -19.506 -2.119 -8.351 484 HB2 ASP 61 2HB ASP 61 -18.998 -0.024 -7.142 485 HB3 ASP 61 3HB ASP 61 -17.310 -0.154 -7.630 486 H LYS 62 H LYS 62 -16.065 -2.664 -7.787 487 HA LYS 62 HA LYS 62 -15.620 -2.990 -10.670 488 HB2 LYS 62 2HB LYS 62 -14.060 -1.513 -9.450 489 HB3 LYS 62 3HB LYS 62 -13.580 -2.873 -8.438 490 HG2 LYS 62 2HG LYS 62 -12.638 -4.024 -10.330 491 HG3 LYS 62 3HG LYS 62 -13.267 -2.801 -11.438 492 HD2 LYS 62 2HD LYS 62 -11.819 -1.115 -10.359 493 HD3 LYS 62 3HD LYS 62 -11.167 -2.370 -9.303 494 HE2 LYS 62 2HE LYS 62 -10.279 -3.565 -11.214 495 HE3 LYS 62 3HE LYS 62 -11.006 -2.398 -12.318 496 HZ1 LYS 62 3HZ LYS 62 -9.583 -0.683 -11.354 497 HZ2 LYS 62 1HZ LYS 62 -8.674 -1.949 -12.012 498 HZ3 LYS 62 2HZ LYS 62 -8.869 -1.829 -10.339 499 H GLU 63 H GLU 63 -15.078 -4.890 -11.594 500 HA GLU 63 HA GLU 63 -15.550 -7.304 -10.052 501 HB2 GLU 63 2HB GLU 63 -15.070 -6.864 -13.007 502 HB3 GLU 63 3HB GLU 63 -15.420 -8.429 -12.283 503 HG2 GLU 63 2HG GLU 63 -17.596 -7.612 -11.540 504 HG3 GLU 63 3HG GLU 63 -17.246 -6.026 -12.227 505 H LEU 64 H LEU 64 -14.089 -9.224 -11.239 506 HA LEU 64 HA LEU 64 -11.564 -8.975 -9.941 507 HB2 LEU 64 2HB LEU 64 -12.542 -11.123 -11.829 508 HB3 LEU 64 3HB LEU 64 -11.153 -11.246 -10.768 509 HG LEU 64 HG LEU 64 -14.031 -10.990 -9.864 510 HD11 LEU 64 1HD1 LEU 64 -13.820 -13.299 -9.143 511 HD12 LEU 64 2HD1 LEU 64 -12.166 -13.363 -9.754 512 HD13 LEU 64 3HD1 LEU 64 -13.513 -13.170 -10.875 513 HD21 LEU 64 3HD2 LEU 64 -12.461 -9.934 -8.300 514 HD22 LEU 64 1HD2 LEU 64 -11.515 -11.422 -8.242 515 HD23 LEU 64 2HD2 LEU 64 -13.166 -11.400 -7.618 516 H GLU 65 H GLU 65 -10.234 -7.451 -10.867 517 HA GLU 65 HA GLU 65 -9.725 -7.152 -13.629 518 HB2 GLU 65 2HB GLU 65 -9.162 -5.491 -11.817 519 HB3 GLU 65 3HB GLU 65 -7.822 -6.525 -11.347 520 HG2 GLU 65 2HG GLU 65 -6.782 -6.210 -13.522 521 HG3 GLU 65 3HG GLU 65 -8.155 -5.243 -14.060 522 H HIS 66 H HIS 66 -9.317 -9.065 -14.656 523 HA HIS 66 HA HIS 66 -7.440 -10.980 -13.468 524 HB2 HIS 66 2HB HIS 66 -8.452 -12.550 -15.180 525 HB3 HIS 66 3HB HIS 66 -9.561 -11.934 -13.961 526 HD1 HIS 66 HD1 HIS 66 -11.483 -10.442 -14.739 527 HD2 HIS 66 HD2 HIS 66 -8.923 -11.578 -17.815 528 HE1 HIS 66 HE1 HIS 66 -12.632 -9.755 -16.858 529 HE2 HIS 66 HE2 HIS 66 -11.005 -10.313 -18.695 530 H HIS 67 H HIS 67 -6.316 -8.664 -14.788 531 HA HIS 67 HA HIS 67 -5.189 -9.598 -17.278 532 HB2 HIS 67 2HB HIS 67 -5.447 -7.182 -16.841 533 HB3 HIS 67 3HB HIS 67 -4.318 -7.298 -15.495 534 HD1 HIS 67 HD1 HIS 67 -1.940 -6.819 -16.056 535 HD2 HIS 67 HD2 HIS 67 -4.138 -7.869 -19.425 536 HE1 HIS 67 HE1 HIS 67 -0.377 -6.524 -17.997 537 HE2 HIS 67 HE2 HIS 67 -1.741 -7.096 -20.033 538 H HIS 68 H HIS 68 -4.003 -11.428 -17.105 539 HA HIS 68 HA HIS 68 -2.467 -12.057 -14.748 540 HB2 HIS 68 2HB HIS 68 -3.794 -13.656 -16.287 541 HB3 HIS 68 3HB HIS 68 -2.394 -13.585 -17.348 542 HD1 HIS 68 HD1 HIS 68 -3.596 -14.994 -14.121 543 HD2 HIS 68 HD2 HIS 68 -0.099 -14.940 -16.368 544 HE1 HIS 68 HE1 HIS 68 -2.122 -16.754 -13.115 545 HE2 HIS 68 HE2 HIS 68 0.035 -16.601 -14.392 546 H HIS 69 H HIS 69 -1.554 -9.710 -16.221 547 HA HIS 69 HA HIS 69 0.312 -8.681 -16.982 548 HB2 HIS 69 2HB HIS 69 1.119 -9.691 -14.810 549 HB3 HIS 69 3HB HIS 69 1.834 -10.991 -15.761 550 HD1 HIS 69 HD1 HIS 69 3.976 -10.444 -17.086 551 HD2 HIS 69 HD2 HIS 69 2.397 -7.185 -15.053 552 HE1 HIS 69 HE1 HIS 69 5.743 -8.664 -17.192 553 HE2 HIS 69 HE2 HIS 69 4.675 -6.645 -16.140 554 H HIS 70 H HIS 70 -0.829 -11.128 -18.603 555 HA HIS 70 HA HIS 70 1.437 -11.911 -20.209 556 HB2 HIS 70 2HB HIS 70 -0.673 -13.303 -19.814 557 HB3 HIS 70 3HB HIS 70 -1.486 -12.225 -20.941 558 HD1 HIS 70 HD1 HIS 70 0.690 -15.180 -20.772 559 HD2 HIS 70 HD2 HIS 70 -0.465 -12.421 -23.657 560 HE1 HIS 70 HE1 HIS 70 1.311 -16.208 -22.972 561 HE2 HIS 70 HE2 HIS 70 0.454 -14.601 -24.702 562 H HIS 71 H HIS 71 2.092 -9.630 -20.523 563 HA HIS 71 HA HIS 71 2.327 -7.708 -21.694 564 HB2 HIS 71 2HB HIS 71 2.168 -9.104 -23.717 565 HB3 HIS 71 3HB HIS 71 0.414 -8.953 -23.686 566 HD1 HIS 71 HD1 HIS 71 -0.497 -6.414 -24.001 567 HD2 HIS 71 HD2 HIS 71 3.452 -7.123 -25.089 568 HE1 HIS 71 HE1 HIS 71 0.158 -4.480 -25.466 569 HE2 HIS 71 HE2 HIS 71 2.604 -4.821 -25.912 Start of MODEL 3 1 H1 MET 1 1H MET 1 -16.149 -25.697 -4.256 2 H2 MET 1 2H MET 1 -14.822 -25.962 -5.268 3 H3 MET 1 3H MET 1 -16.221 -26.889 -5.453 4 HA MET 1 HA MET 1 -16.043 -23.966 -5.872 5 HB2 MET 1 2HB MET 1 -16.339 -24.531 -8.292 6 HB3 MET 1 3HB MET 1 -14.803 -25.045 -7.617 7 HG2 MET 1 2HG MET 1 -15.670 -27.332 -7.413 8 HG3 MET 1 3HG MET 1 -17.193 -26.806 -8.128 9 HE1 MET 1 3HE MET 1 -15.489 -29.259 -9.257 10 HE2 MET 1 1HE MET 1 -15.612 -28.953 -10.989 11 HE3 MET 1 2HE MET 1 -17.017 -28.714 -9.951 12 HA PRO 2 HA PRO 2 -20.481 -24.844 -5.239 13 HB2 PRO 2 2HB PRO 2 -21.100 -22.563 -3.982 14 HB3 PRO 2 3HB PRO 2 -20.220 -23.852 -3.154 15 HG2 PRO 2 2HG PRO 2 -19.167 -21.317 -4.357 16 HG3 PRO 2 3HG PRO 2 -18.742 -22.083 -2.816 17 HD2 PRO 2 2HD PRO 2 -17.259 -22.322 -5.136 18 HD3 PRO 2 3HD PRO 2 -17.227 -23.491 -3.799 19 H THR 3 H THR 3 -22.447 -23.768 -6.018 20 HA THR 3 HA THR 3 -22.169 -22.547 -8.568 21 HB THR 3 HB THR 3 -24.640 -22.193 -8.442 22 HG1 THR 3 HG1 THR 3 -25.618 -22.278 -6.561 23 HG21 THR 3 3HG2 THR 3 -23.694 -24.936 -7.581 24 HG22 THR 3 1HG2 THR 3 -23.737 -24.329 -9.238 25 HG23 THR 3 2HG2 THR 3 -25.240 -24.574 -8.348 26 H LYS 4 H LYS 4 -21.408 -20.555 -8.861 27 HA LYS 4 HA LYS 4 -20.818 -18.393 -8.545 28 HB2 LYS 4 2HB LYS 4 -23.527 -18.237 -7.207 29 HB3 LYS 4 3HB LYS 4 -22.528 -16.840 -7.590 30 HG2 LYS 4 2HG LYS 4 -22.618 -17.577 -10.002 31 HG3 LYS 4 3HG LYS 4 -23.837 -18.756 -9.510 32 HD2 LYS 4 2HD LYS 4 -24.043 -15.757 -9.150 33 HD3 LYS 4 3HD LYS 4 -24.849 -16.696 -10.404 34 HE2 LYS 4 2HE LYS 4 -26.146 -17.884 -8.733 35 HE3 LYS 4 3HE LYS 4 -25.271 -17.073 -7.436 36 HZ1 LYS 4 3HZ LYS 4 -26.866 -15.609 -9.458 37 HZ2 LYS 4 1HZ LYS 4 -26.249 -15.017 -7.999 38 HZ3 LYS 4 2HZ LYS 4 -27.516 -16.141 -7.991 39 HA PRO 5 HA PRO 5 -19.182 -19.263 -4.333 40 HB2 PRO 5 2HB PRO 5 -16.692 -18.220 -5.530 41 HB3 PRO 5 3HB PRO 5 -16.991 -19.764 -4.724 42 HG2 PRO 5 2HG PRO 5 -16.596 -19.620 -7.377 43 HG3 PRO 5 3HG PRO 5 -17.728 -20.787 -6.664 44 HD2 PRO 5 2HD PRO 5 -18.310 -18.147 -7.983 45 HD3 PRO 5 3HD PRO 5 -19.141 -19.707 -8.173 46 HA PRO 6 HA PRO 6 -19.225 -15.057 -2.741 47 HB2 PRO 6 2HB PRO 6 -17.237 -16.033 -0.753 48 HB3 PRO 6 3HB PRO 6 -18.817 -15.285 -0.491 49 HG2 PRO 6 2HG PRO 6 -18.460 -17.897 -0.077 50 HG3 PRO 6 3HG PRO 6 -19.963 -17.287 -0.801 51 HD2 PRO 6 2HD PRO 6 -17.603 -18.582 -2.138 52 HD3 PRO 6 3HD PRO 6 -19.339 -18.831 -2.430 53 H TYR 7 H TYR 7 -17.644 -13.300 -2.125 54 HA TYR 7 HA TYR 7 -15.185 -13.528 -3.744 55 HB2 TYR 7 2HB TYR 7 -15.479 -11.047 -4.172 56 HB3 TYR 7 3HB TYR 7 -16.657 -12.099 -4.942 57 HD1 TYR 7 HD2 TYR 7 -18.969 -12.299 -3.904 58 HD2 TYR 7 HD1 TYR 7 -16.176 -9.317 -2.696 59 HE1 TYR 7 HE2 TYR 7 -20.798 -11.000 -2.903 60 HE2 TYR 7 HE1 TYR 7 -18.003 -8.008 -1.696 61 HH TYR 7 HH TYR 7 -21.097 -9.283 -1.152 62 HA PRO 8 HA PRO 8 -13.490 -12.418 0.387 63 HB2 PRO 8 2HB PRO 8 -11.106 -13.823 -0.597 64 HB3 PRO 8 3HB PRO 8 -12.095 -14.166 0.825 65 HG2 PRO 8 2HG PRO 8 -12.066 -15.787 -1.335 66 HG3 PRO 8 3HG PRO 8 -13.515 -15.565 -0.335 67 HD2 PRO 8 2HD PRO 8 -12.822 -14.298 -2.974 68 HD3 PRO 8 3HD PRO 8 -14.365 -15.000 -2.434 69 H ARG 9 H ARG 9 -13.660 -10.333 -1.060 70 HA ARG 9 HA ARG 9 -11.070 -9.538 -2.200 71 HB2 ARG 9 2HB ARG 9 -13.776 -8.183 -2.348 72 HB3 ARG 9 3HB ARG 9 -12.323 -7.658 -3.190 73 HG2 ARG 9 2HG ARG 9 -12.320 -9.644 -4.546 74 HG3 ARG 9 3HG ARG 9 -13.649 -10.332 -3.611 75 HD2 ARG 9 2HD ARG 9 -14.443 -9.420 -5.738 76 HD3 ARG 9 3HD ARG 9 -15.130 -8.541 -4.373 77 HE ARG 9 HE ARG 9 -13.035 -7.558 -6.180 78 HH11 ARG 9 1HH1 ARG 9 -15.365 -6.946 -3.718 79 HH12 ARG 9 2HH1 ARG 9 -15.225 -5.231 -3.863 80 HH21 ARG 9 1HH2 ARG 9 -12.880 -5.376 -6.363 81 HH22 ARG 9 2HH2 ARG 9 -13.830 -4.351 -5.353 82 H GLU 10 H GLU 10 -9.758 -8.810 -0.569 83 HA GLU 10 HA GLU 10 -10.624 -6.389 0.807 84 HB2 GLU 10 2HB GLU 10 -9.798 -7.167 2.988 85 HB3 GLU 10 3HB GLU 10 -11.146 -8.137 2.412 86 HG2 GLU 10 2HG GLU 10 -9.682 -9.938 1.804 87 HG3 GLU 10 3HG GLU 10 -8.257 -8.955 2.145 88 H ALA 11 H ALA 11 -8.998 -4.971 1.330 89 HA ALA 11 HA ALA 11 -6.236 -5.720 0.589 90 HB1 ALA 11 3HB ALA 11 -7.224 -4.403 -1.218 91 HB2 ALA 11 1HB ALA 11 -5.927 -3.514 -0.419 92 HB3 ALA 11 2HB ALA 11 -7.611 -3.113 -0.077 93 H TYR 12 H TYR 12 -4.557 -4.576 1.672 94 HA TYR 12 HA TYR 12 -5.332 -2.916 3.966 95 HB2 TYR 12 2HB TYR 12 -3.787 -4.270 5.444 96 HB3 TYR 12 3HB TYR 12 -5.276 -5.080 4.972 97 HD1 TYR 12 HD2 TYR 12 -1.623 -5.027 4.577 98 HD2 TYR 12 HD1 TYR 12 -5.237 -7.004 3.487 99 HE1 TYR 12 HE2 TYR 12 -0.321 -6.937 3.740 100 HE2 TYR 12 HE1 TYR 12 -3.941 -8.916 2.653 101 HH TYR 12 HH TYR 12 -0.738 -9.428 3.379 102 H ILE 13 H ILE 13 -3.263 -2.089 5.131 103 HA ILE 13 HA ILE 13 -1.445 -1.126 3.003 104 HB ILE 13 HB ILE 13 -2.195 0.248 5.595 105 HG12 ILE 13 2HG1 ILE 13 -3.088 0.857 2.762 106 HG13 ILE 13 3HG1 ILE 13 -4.085 0.092 3.994 107 HG21 ILE 13 1HG2 ILE 13 -1.084 2.211 4.625 108 HG22 ILE 13 2HG2 ILE 13 -0.622 1.253 3.219 109 HG23 ILE 13 3HG2 ILE 13 0.035 0.859 4.807 110 HD11 ILE 13 3HD1 ILE 13 -3.936 2.120 5.356 111 HD12 ILE 13 1HD1 ILE 13 -4.641 2.430 3.768 112 HD13 ILE 13 2HD1 ILE 13 -2.967 2.885 4.093 113 H VAL 14 H VAL 14 0.726 -1.318 3.232 114 HA VAL 14 HA VAL 14 1.828 -2.103 5.866 115 HB VAL 14 HB VAL 14 2.677 -3.141 3.146 116 HG11 VAL 14 1HG1 VAL 14 4.654 -2.750 4.525 117 HG12 VAL 14 2HG1 VAL 14 4.360 -4.478 4.340 118 HG13 VAL 14 3HG1 VAL 14 3.933 -3.668 5.847 119 HG21 VAL 14 3HG2 VAL 14 0.691 -4.250 4.007 120 HG22 VAL 14 1HG2 VAL 14 1.500 -4.560 5.543 121 HG23 VAL 14 2HG2 VAL 14 2.070 -5.344 4.071 122 H THR 15 H THR 15 3.542 -0.904 6.573 123 HA THR 15 HA THR 15 4.332 1.383 4.929 124 HB THR 15 HB THR 15 5.373 2.290 6.942 125 HG1 THR 15 HG1 THR 15 6.096 0.312 7.873 126 HG21 THR 15 3HG2 THR 15 3.389 2.509 8.358 127 HG22 THR 15 1HG2 THR 15 2.641 1.140 7.537 128 HG23 THR 15 2HG2 THR 15 2.961 2.632 6.652 129 H ILE 16 H ILE 16 6.120 1.382 3.736 130 HA ILE 16 HA ILE 16 8.506 -0.075 4.713 131 HB ILE 16 HB ILE 16 9.252 -0.414 2.436 132 HG12 ILE 16 2HG1 ILE 16 6.668 0.875 1.504 133 HG13 ILE 16 3HG1 ILE 16 8.229 1.692 1.514 134 HG21 ILE 16 1HG2 ILE 16 7.793 -2.132 3.374 135 HG22 ILE 16 2HG2 ILE 16 7.554 -1.992 1.631 136 HG23 ILE 16 3HG2 ILE 16 6.375 -1.292 2.741 137 HD11 ILE 16 3HD1 ILE 16 7.551 -0.778 -0.069 138 HD12 ILE 16 1HD1 ILE 16 9.102 0.063 -0.069 139 HD13 ILE 16 2HD1 ILE 16 7.664 0.866 -0.699 140 H GLU 17 H GLU 17 10.570 0.919 3.598 141 HA GLU 17 HA GLU 17 10.302 3.847 3.375 142 HB2 GLU 17 2HB GLU 17 12.368 4.129 4.716 143 HB3 GLU 17 3HB GLU 17 11.041 3.434 5.635 144 HG2 GLU 17 2HG GLU 17 12.033 1.205 5.377 145 HG3 GLU 17 3HG GLU 17 13.373 1.911 4.475 146 H LYS 18 H LYS 18 11.494 4.802 1.821 147 HA LYS 18 HA LYS 18 13.641 3.240 0.515 148 HB2 LYS 18 2HB LYS 18 11.708 5.163 -0.826 149 HB3 LYS 18 3HB LYS 18 13.058 4.365 -1.617 150 HG2 LYS 18 2HG LYS 18 11.949 2.164 -1.040 151 HG3 LYS 18 3HG LYS 18 10.535 3.099 -0.551 152 HD2 LYS 18 2HD LYS 18 10.395 4.064 -2.811 153 HD3 LYS 18 3HD LYS 18 11.819 3.143 -3.295 154 HE2 LYS 18 2HE LYS 18 10.027 1.883 -4.125 155 HE3 LYS 18 3HE LYS 18 10.461 1.060 -2.630 156 HZ1 LYS 18 3HZ LYS 18 8.093 1.264 -2.771 157 HZ2 LYS 18 1HZ LYS 18 8.196 2.933 -3.028 158 HZ3 LYS 18 2HZ LYS 18 8.641 2.281 -1.535 159 H GLY 19 H GLY 19 15.031 4.918 -0.891 160 HA2 GLY 19 2HA GLY 19 16.040 7.077 -0.996 161 HA3 GLY 19 3HA GLY 19 15.412 7.426 0.605 162 H LYS 20 H LYS 20 17.287 7.996 1.623 163 HA LYS 20 HA LYS 20 19.584 6.147 1.525 164 HB2 LYS 20 2HB LYS 20 19.382 9.058 2.339 165 HB3 LYS 20 3HB LYS 20 20.846 8.098 2.508 166 HG2 LYS 20 2HG LYS 20 21.005 7.809 0.132 167 HG3 LYS 20 3HG LYS 20 19.439 8.578 -0.111 168 HD2 LYS 20 2HD LYS 20 21.210 10.135 -0.666 169 HD3 LYS 20 3HD LYS 20 20.359 10.693 0.770 170 HE2 LYS 20 2HE LYS 20 22.932 9.128 0.908 171 HE3 LYS 20 3HE LYS 20 22.893 10.885 0.787 172 HZ1 LYS 20 3HZ LYS 20 21.837 9.208 2.992 173 HZ2 LYS 20 1HZ LYS 20 21.495 10.858 2.838 174 HZ3 LYS 20 2HZ LYS 20 23.084 10.347 3.059 175 HA PRO 21 HA PRO 21 19.097 4.523 5.644 176 HB2 PRO 21 2HB PRO 21 21.951 5.407 5.948 177 HB3 PRO 21 3HB PRO 21 21.207 3.861 6.372 178 HG2 PRO 21 2HG PRO 21 22.659 4.091 4.156 179 HG3 PRO 21 3HG PRO 21 21.173 3.122 4.166 180 HD2 PRO 21 2HD PRO 21 21.680 5.803 2.966 181 HD3 PRO 21 3HD PRO 21 20.575 4.519 2.438 182 H GLY 22 H GLY 22 18.136 5.497 7.339 183 HA2 GLY 22 2HA GLY 22 17.876 7.011 9.110 184 HA3 GLY 22 3HA GLY 22 19.233 7.943 8.495 185 H GLN 23 H GLN 23 18.735 8.978 6.255 186 HA GLN 23 HA GLN 23 16.311 10.551 6.548 187 HB2 GLN 23 2HB GLN 23 18.456 10.684 4.406 188 HB3 GLN 23 3HB GLN 23 17.178 11.865 4.655 189 HG2 GLN 23 2HG GLN 23 19.431 11.242 6.565 190 HG3 GLN 23 3HG GLN 23 19.288 12.670 5.543 191 HE21 GLN 23 1HE2 GLN 23 18.172 11.077 8.406 192 HE22 GLN 23 2HE2 GLN 23 17.274 12.407 9.045 193 H THR 24 H THR 24 15.002 8.516 6.227 194 HA THR 24 HA THR 24 14.767 7.698 3.398 195 HB THR 24 HB THR 24 13.488 5.750 4.222 196 HG1 THR 24 HG1 THR 24 13.761 5.487 6.666 197 HG21 THR 24 3HG2 THR 24 15.928 5.568 3.972 198 HG22 THR 24 1HG2 THR 24 15.337 4.564 5.298 199 HG23 THR 24 2HG2 THR 24 16.138 6.098 5.640 200 H VAL 25 H VAL 25 12.660 7.367 2.478 201 HA VAL 25 HA VAL 25 10.540 9.081 3.619 202 HB VAL 25 HB VAL 25 10.906 8.134 0.764 203 HG11 VAL 25 1HG1 VAL 25 8.545 8.398 1.327 204 HG12 VAL 25 2HG1 VAL 25 9.064 9.658 0.209 205 HG13 VAL 25 3HG1 VAL 25 8.855 10.031 1.921 206 HG21 VAL 25 3HG2 VAL 25 12.574 9.801 1.386 207 HG22 VAL 25 1HG2 VAL 25 11.306 10.878 1.973 208 HG23 VAL 25 2HG2 VAL 25 11.408 10.487 0.255 209 H THR 26 H THR 26 8.726 8.105 4.351 210 HA THR 26 HA THR 26 8.533 5.227 4.267 211 HB THR 26 HB THR 26 6.593 7.225 5.467 212 HG1 THR 26 HG1 THR 26 7.956 7.323 7.080 213 HG21 THR 26 3HG2 THR 26 5.794 5.317 6.798 214 HG22 THR 26 1HG2 THR 26 6.889 4.246 5.923 215 HG23 THR 26 2HG2 THR 26 5.559 5.033 5.074 216 H TRP 27 H TRP 27 7.661 4.169 2.621 217 HA TRP 27 HA TRP 27 5.497 5.408 1.054 218 HB2 TRP 27 2HB TRP 27 7.394 3.136 0.436 219 HB3 TRP 27 3HB TRP 27 5.986 3.491 -0.557 220 HD1 TRP 27 HD1 TRP 27 9.353 5.047 0.492 221 HE1 TRP 27 HE1 TRP 27 10.039 6.763 -1.302 222 HE3 TRP 27 HE3 TRP 27 5.116 4.962 -2.365 223 HZ2 TRP 27 HZ2 TRP 27 8.924 7.932 -3.615 224 HZ3 TRP 27 HZ3 TRP 27 5.004 6.416 -4.351 225 HH2 TRP 27 HH2 TRP 27 6.869 7.870 -4.960 226 H TYR 28 H TYR 28 3.480 4.614 1.085 227 HA TYR 28 HA TYR 28 2.936 2.308 2.815 228 HB2 TYR 28 2HB TYR 28 1.072 4.405 1.664 229 HB3 TYR 28 3HB TYR 28 0.602 3.130 2.788 230 HD1 TYR 28 HD2 TYR 28 2.479 6.281 2.425 231 HD2 TYR 28 HD1 TYR 28 1.156 3.278 5.145 232 HE1 TYR 28 HE2 TYR 28 3.095 7.727 4.314 233 HE2 TYR 28 HE1 TYR 28 1.776 4.722 7.039 234 HH TYR 28 HH TYR 28 3.353 6.617 7.476 235 H GLN 29 H GLN 29 2.759 0.393 1.873 236 HA GLN 29 HA GLN 29 2.020 0.184 -0.952 237 HB2 GLN 29 2HB GLN 29 3.166 -1.849 0.977 238 HB3 GLN 29 3HB GLN 29 2.741 -2.208 -0.691 239 HG2 GLN 29 2HG GLN 29 4.362 -0.479 -1.425 240 HG3 GLN 29 3HG GLN 29 4.843 -0.272 0.259 241 HE21 GLN 29 1HE2 GLN 29 6.357 -1.173 -2.089 242 HE22 GLN 29 2HE2 GLN 29 7.005 -2.718 -1.666 243 H LEU 30 H LEU 30 -0.011 -0.236 -1.503 244 HA LEU 30 HA LEU 30 -1.898 -1.407 0.366 245 HB2 LEU 30 2HB LEU 30 -2.588 0.430 -1.121 246 HB3 LEU 30 3HB LEU 30 -2.242 -0.570 -2.522 247 HG LEU 30 HG LEU 30 -4.028 -2.142 -1.811 248 HD11 LEU 30 1HD1 LEU 30 -3.971 -1.723 0.580 249 HD12 LEU 30 2HD1 LEU 30 -5.595 -1.464 -0.059 250 HD13 LEU 30 3HD1 LEU 30 -4.568 -0.082 0.324 251 HD21 LEU 30 3HD2 LEU 30 -4.947 0.721 -2.086 252 HD22 LEU 30 1HD2 LEU 30 -5.909 -0.721 -2.416 253 HD23 LEU 30 2HD2 LEU 30 -4.506 -0.350 -3.417 254 H ARG 31 H ARG 31 -1.704 -3.541 0.672 255 HA ARG 31 HA ARG 31 -1.197 -5.296 -1.656 256 HB2 ARG 31 2HB ARG 31 -0.734 -5.941 1.269 257 HB3 ARG 31 3HB ARG 31 -0.212 -6.883 -0.120 258 HG2 ARG 31 2HG ARG 31 1.378 -5.179 -0.743 259 HG3 ARG 31 3HG ARG 31 0.774 -4.106 0.519 260 HD2 ARG 31 2HD ARG 31 2.713 -5.010 1.451 261 HD3 ARG 31 3HD ARG 31 1.425 -5.985 2.157 262 HE ARG 31 HE ARG 31 3.423 -6.836 0.215 263 HH11 ARG 31 1HH1 ARG 31 0.558 -7.639 1.953 264 HH12 ARG 31 2HH1 ARG 31 0.772 -9.336 1.729 265 HH21 ARG 31 1HH2 ARG 31 3.695 -9.014 -0.029 266 HH22 ARG 31 2HH2 ARG 31 2.536 -10.107 0.646 267 H ALA 32 H ALA 32 -2.589 -6.985 -2.074 268 HA ALA 32 HA ALA 32 -4.976 -7.206 -0.352 269 HB1 ALA 32 3HB ALA 32 -5.458 -6.464 -2.617 270 HB2 ALA 32 1HB ALA 32 -6.148 -8.061 -2.322 271 HB3 ALA 32 2HB ALA 32 -4.669 -7.900 -3.274 272 H ASP 33 H ASP 33 -5.826 -9.270 0.136 273 HA ASP 33 HA ASP 33 -3.776 -11.219 0.656 274 HB2 ASP 33 2HB ASP 33 -5.545 -10.644 2.293 275 HB3 ASP 33 3HB ASP 33 -6.751 -11.349 1.222 276 H HIS 34 H HIS 34 -6.196 -10.858 -1.797 277 HA HIS 34 HA HIS 34 -5.508 -13.527 -2.843 278 HB2 HIS 34 2HB HIS 34 -8.246 -12.233 -2.859 279 HB3 HIS 34 3HB HIS 34 -7.832 -13.685 -3.763 280 HD1 HIS 34 HD1 HIS 34 -7.434 -15.869 -2.391 281 HD2 HIS 34 HD2 HIS 34 -8.661 -12.612 -0.117 282 HE1 HIS 34 HE1 HIS 34 -8.116 -16.819 -0.172 283 HE2 HIS 34 HE2 HIS 34 -8.776 -14.827 1.215 284 HA PRO 35 HA PRO 35 -6.144 -14.689 -4.883 285 HB2 PRO 35 2HB PRO 35 -4.366 -15.434 -6.802 286 HB3 PRO 35 3HB PRO 35 -5.999 -14.865 -7.175 287 HG2 PRO 35 2HG PRO 35 -3.407 -13.355 -7.243 288 HG3 PRO 35 3HG PRO 35 -4.729 -13.360 -8.427 289 HD2 PRO 35 2HD PRO 35 -4.420 -11.378 -6.604 290 HD3 PRO 35 3HD PRO 35 -6.016 -11.895 -7.181 291 H LYS 36 H LYS 36 -2.896 -13.223 -5.227 292 HA LYS 36 HA LYS 36 -1.861 -15.131 -3.231 293 HB2 LYS 36 2HB LYS 36 -0.408 -13.280 -5.144 294 HB3 LYS 36 3HB LYS 36 0.392 -14.280 -3.944 295 HG2 LYS 36 2HG LYS 36 -1.306 -15.327 -6.207 296 HG3 LYS 36 3HG LYS 36 0.457 -15.247 -6.212 297 HD2 LYS 36 2HD LYS 36 -1.196 -16.814 -4.215 298 HD3 LYS 36 3HD LYS 36 -0.426 -17.504 -5.642 299 HE2 LYS 36 2HE LYS 36 1.029 -16.107 -3.388 300 HE3 LYS 36 3HE LYS 36 0.885 -17.855 -3.571 301 HZ1 LYS 36 3HZ LYS 36 2.091 -17.709 -5.653 302 HZ2 LYS 36 1HZ LYS 36 3.002 -17.027 -4.403 303 HZ3 LYS 36 2HZ LYS 36 2.203 -16.030 -5.510 304 HA PRO 37 HA PRO 37 -1.908 -12.002 -0.077 305 HB2 PRO 37 2HB PRO 37 0.300 -12.729 1.389 306 HB3 PRO 37 3HB PRO 37 -1.259 -13.556 1.472 307 HG2 PRO 37 2HG PRO 37 1.193 -14.293 -0.093 308 HG3 PRO 37 3HG PRO 37 0.123 -15.337 0.867 309 HD2 PRO 37 2HD PRO 37 -0.065 -15.228 -1.810 310 HD3 PRO 37 3HD PRO 37 -1.510 -15.395 -0.788 311 H ASP 38 H ASP 38 0.564 -12.217 -2.379 312 HA ASP 38 HA ASP 38 1.896 -9.762 -1.465 313 HB2 ASP 38 2HB ASP 38 2.681 -11.818 -3.538 314 HB3 ASP 38 3HB ASP 38 3.587 -10.337 -3.232 315 H SER 39 H SER 39 -0.792 -10.174 -3.033 316 HA SER 39 HA SER 39 -0.425 -9.023 -5.601 317 HB2 SER 39 2HB SER 39 -2.907 -8.990 -3.851 318 HB3 SER 39 3HB SER 39 -2.864 -8.619 -5.575 319 HG SER 39 HG SER 39 -2.862 -11.035 -4.292 320 H LEU 40 H LEU 40 0.976 -7.222 -5.290 321 HA LEU 40 HA LEU 40 0.255 -4.998 -3.649 322 HB2 LEU 40 2HB LEU 40 2.576 -5.457 -4.285 323 HB3 LEU 40 3HB LEU 40 2.189 -5.170 -5.970 324 HG LEU 40 HG LEU 40 1.669 -2.803 -5.430 325 HD11 LEU 40 1HD1 LEU 40 2.311 -1.893 -3.248 326 HD12 LEU 40 2HD1 LEU 40 2.662 -3.522 -2.669 327 HD13 LEU 40 3HD1 LEU 40 1.012 -3.075 -3.103 328 HD21 LEU 40 3HD2 LEU 40 3.981 -2.085 -5.086 329 HD22 LEU 40 1HD2 LEU 40 3.896 -3.430 -6.225 330 HD23 LEU 40 2HD2 LEU 40 4.416 -3.714 -4.563 331 H ILE 41 H ILE 41 -1.642 -4.016 -4.062 332 HA ILE 41 HA ILE 41 -2.728 -3.675 -6.681 333 HB ILE 41 HB ILE 41 -3.529 -2.254 -4.131 334 HG12 ILE 41 2HG1 ILE 41 -3.620 -4.657 -3.782 335 HG13 ILE 41 3HG1 ILE 41 -5.260 -4.035 -3.939 336 HG21 ILE 41 1HG2 ILE 41 -5.034 -2.713 -6.711 337 HG22 ILE 41 2HG2 ILE 41 -4.438 -1.168 -6.100 338 HG23 ILE 41 3HG2 ILE 41 -5.724 -2.018 -5.243 339 HD11 ILE 41 3HD1 ILE 41 -5.337 -4.837 -6.247 340 HD12 ILE 41 1HD1 ILE 41 -4.989 -6.141 -5.113 341 HD13 ILE 41 2HD1 ILE 41 -3.691 -5.453 -6.088 342 H SER 42 H SER 42 -1.078 -1.490 -4.407 343 HA SER 42 HA SER 42 0.062 0.095 -6.457 344 HB2 SER 42 2HB SER 42 -2.137 1.020 -6.809 345 HB3 SER 42 3HB SER 42 -2.363 1.280 -5.078 346 HG SER 42 HG SER 42 -0.992 2.799 -6.937 347 H GLU 43 H GLU 43 1.573 1.580 -5.690 348 HA GLU 43 HA GLU 43 1.927 1.735 -2.762 349 HB2 GLU 43 2HB GLU 43 3.913 2.153 -5.013 350 HB3 GLU 43 3HB GLU 43 4.267 2.476 -3.323 351 HG2 GLU 43 2HG GLU 43 3.848 0.101 -2.806 352 HG3 GLU 43 3HG GLU 43 3.578 -0.202 -4.523 353 H HIS 44 H HIS 44 1.800 3.681 -1.747 354 HA HIS 44 HA HIS 44 1.887 6.137 -3.368 355 HB2 HIS 44 2HB HIS 44 -0.287 5.406 -1.396 356 HB3 HIS 44 3HB HIS 44 -0.027 7.045 -1.980 357 HD1 HIS 44 HD1 HIS 44 -2.096 4.267 -2.616 358 HD2 HIS 44 HD2 HIS 44 -0.077 6.960 -5.050 359 HE1 HIS 44 HE1 HIS 44 -3.267 4.172 -4.833 360 HE2 HIS 44 HE2 HIS 44 -1.936 5.689 -6.331 361 HA PRO 45 HA PRO 45 4.525 7.537 -0.081 362 HB2 PRO 45 2HB PRO 45 4.467 10.209 -0.509 363 HB3 PRO 45 3HB PRO 45 5.275 9.096 -1.622 364 HG2 PRO 45 2HG PRO 45 2.541 10.325 -1.830 365 HG3 PRO 45 3HG PRO 45 3.794 10.175 -3.079 366 HD2 PRO 45 2HD PRO 45 1.689 8.471 -2.907 367 HD3 PRO 45 3HD PRO 45 3.284 7.961 -3.503 368 H THR 46 H THR 46 1.197 8.486 -0.274 369 HA THR 46 HA THR 46 1.269 9.416 2.536 370 HB THR 46 HB THR 46 -0.745 10.683 2.152 371 HG1 THR 46 HG1 THR 46 -0.818 10.243 -0.600 372 HG21 THR 46 3HG2 THR 46 1.220 11.182 -0.093 373 HG22 THR 46 1HG2 THR 46 1.340 11.814 1.552 374 HG23 THR 46 2HG2 THR 46 0.020 12.332 0.501 375 H ALA 47 H ALA 47 -0.104 8.498 4.013 376 HA ALA 47 HA ALA 47 -1.147 5.912 3.559 377 HB1 ALA 47 3HB ALA 47 -2.135 6.127 5.796 378 HB2 ALA 47 1HB ALA 47 -1.778 7.855 5.789 379 HB3 ALA 47 2HB ALA 47 -0.461 6.681 5.776 380 H GLN 48 H GLN 48 -2.609 9.114 3.487 381 HA GLN 48 HA GLN 48 -5.309 8.458 3.420 382 HB2 GLN 48 2HB GLN 48 -4.411 10.766 3.579 383 HB3 GLN 48 3HB GLN 48 -3.944 10.690 1.886 384 HG2 GLN 48 2HG GLN 48 -6.750 10.038 2.247 385 HG3 GLN 48 3HG GLN 48 -6.358 11.611 2.926 386 HE21 GLN 48 1HE2 GLN 48 -4.667 10.286 0.150 387 HE22 GLN 48 2HE2 GLN 48 -5.307 11.404 -0.990 388 H GLU 49 H GLU 49 -3.077 8.776 0.621 389 HA GLU 49 HA GLU 49 -4.959 8.035 -1.355 390 HB2 GLU 49 2HB GLU 49 -1.949 7.780 -1.310 391 HB3 GLU 49 3HB GLU 49 -2.928 7.418 -2.725 392 HG2 GLU 49 2HG GLU 49 -3.709 9.725 -2.791 393 HG3 GLU 49 3HG GLU 49 -2.757 10.099 -1.354 394 H ALA 50 H ALA 50 -2.765 6.108 0.646 395 HA ALA 50 HA ALA 50 -3.207 3.615 -0.604 396 HB1 ALA 50 3HB ALA 50 -1.347 4.022 0.939 397 HB2 ALA 50 1HB ALA 50 -2.301 2.624 1.435 398 HB3 ALA 50 2HB ALA 50 -2.485 4.163 2.277 399 H MET 51 H MET 51 -4.894 5.247 2.055 400 HA MET 51 HA MET 51 -6.709 3.127 2.628 401 HB2 MET 51 2HB MET 51 -6.959 6.097 3.172 402 HB3 MET 51 3HB MET 51 -7.986 4.853 3.866 403 HG2 MET 51 2HG MET 51 -5.996 3.861 4.948 404 HG3 MET 51 3HG MET 51 -5.027 5.191 4.315 405 HE1 MET 51 3HE MET 51 -8.698 5.188 5.776 406 HE2 MET 51 1HE MET 51 -8.381 5.633 7.453 407 HE3 MET 51 2HE MET 51 -7.805 4.089 6.828 408 H ASP 52 H ASP 52 -6.964 6.056 0.629 409 HA ASP 52 HA ASP 52 -9.667 5.692 -0.119 410 HB2 ASP 52 2HB ASP 52 -8.308 7.824 -0.307 411 HB3 ASP 52 3HB ASP 52 -7.553 7.130 -1.739 412 H ALA 53 H ALA 53 -6.626 4.737 -1.701 413 HA ALA 53 HA ALA 53 -7.784 3.493 -3.962 414 HB1 ALA 53 3HB ALA 53 -5.156 2.847 -2.613 415 HB2 ALA 53 1HB ALA 53 -5.403 4.094 -3.836 416 HB3 ALA 53 2HB ALA 53 -5.627 2.396 -4.252 417 H LYS 54 H LYS 54 -7.000 2.322 -0.724 418 HA LYS 54 HA LYS 54 -7.580 -0.386 -1.012 419 HB2 LYS 54 2HB LYS 54 -6.600 0.278 1.021 420 HB3 LYS 54 3HB LYS 54 -7.806 1.522 1.305 421 HG2 LYS 54 2HG LYS 54 -9.463 -0.111 1.874 422 HG3 LYS 54 3HG LYS 54 -8.405 -1.433 1.378 423 HD2 LYS 54 2HD LYS 54 -6.969 -1.124 3.219 424 HD3 LYS 54 3HD LYS 54 -7.604 0.487 3.556 425 HE2 LYS 54 2HE LYS 54 -8.349 -1.256 5.176 426 HE3 LYS 54 3HE LYS 54 -9.666 -0.423 4.362 427 HZ1 LYS 54 3HZ LYS 54 -9.855 -2.314 2.853 428 HZ2 LYS 54 1HZ LYS 54 -10.097 -2.768 4.463 429 HZ3 LYS 54 2HZ LYS 54 -8.634 -3.118 3.701 430 H LYS 55 H LYS 55 -9.818 2.275 -0.149 431 HA LYS 55 HA LYS 55 -12.109 0.655 0.066 432 HB2 LYS 55 2HB LYS 55 -13.333 2.594 0.325 433 HB3 LYS 55 3HB LYS 55 -11.728 3.177 0.727 434 HG2 LYS 55 2HG LYS 55 -11.500 4.081 -1.550 435 HG3 LYS 55 3HG LYS 55 -13.123 3.510 -1.929 436 HD2 LYS 55 2HD LYS 55 -13.934 4.939 0.007 437 HD3 LYS 55 3HD LYS 55 -12.320 5.648 0.044 438 HE2 LYS 55 2HE LYS 55 -14.226 5.674 -2.302 439 HE3 LYS 55 3HE LYS 55 -13.869 7.035 -1.243 440 HZ1 LYS 55 3HZ LYS 55 -11.704 7.195 -2.077 441 HZ2 LYS 55 1HZ LYS 55 -12.670 6.966 -3.440 442 HZ3 LYS 55 2HZ LYS 55 -11.762 5.681 -2.820 443 H ARG 56 H ARG 56 -10.762 2.398 -2.734 444 HA ARG 56 HA ARG 56 -12.900 1.830 -4.498 445 HB2 ARG 56 2HB ARG 56 -11.250 3.618 -4.924 446 HB3 ARG 56 3HB ARG 56 -10.008 2.400 -5.203 447 HG2 ARG 56 2HG ARG 56 -11.273 1.542 -7.116 448 HG3 ARG 56 3HG ARG 56 -12.529 2.744 -6.828 449 HD2 ARG 56 2HD ARG 56 -10.873 4.532 -7.234 450 HD3 ARG 56 3HD ARG 56 -9.656 3.301 -7.584 451 HE ARG 56 HE ARG 56 -11.798 2.767 -9.238 452 HH11 ARG 56 1HH1 ARG 56 -9.560 5.362 -8.798 453 HH12 ARG 56 2HH1 ARG 56 -9.702 5.887 -10.435 454 HH21 ARG 56 1HH2 ARG 56 -11.954 3.455 -11.320 455 HH22 ARG 56 2HH2 ARG 56 -11.053 4.836 -11.840 456 H TYR 57 H TYR 57 -9.931 0.056 -3.738 457 HA TYR 57 HA TYR 57 -10.206 -1.950 -5.710 458 HB2 TYR 57 2HB TYR 57 -8.101 -1.806 -4.582 459 HB3 TYR 57 3HB TYR 57 -8.857 -1.983 -3.002 460 HD1 TYR 57 HD1 TYR 57 -8.067 -3.805 -6.147 461 HD2 TYR 57 HD2 TYR 57 -9.255 -4.131 -2.069 462 HE1 TYR 57 HE1 TYR 57 -7.759 -6.242 -6.256 463 HE2 TYR 57 HE2 TYR 57 -8.944 -6.567 -2.167 464 HH TYR 57 HH TYR 57 -7.319 -8.128 -4.680 465 H GLU 58 H GLU 58 -11.346 -1.793 -2.346 466 HA GLU 58 HA GLU 58 -12.549 -4.376 -2.428 467 HB2 GLU 58 2HB GLU 58 -12.925 -2.112 -0.449 468 HB3 GLU 58 3HB GLU 58 -13.461 -3.774 -0.213 469 HG2 GLU 58 2HG GLU 58 -11.143 -4.553 -0.337 470 HG3 GLU 58 3HG GLU 58 -10.594 -2.902 -0.598 471 H ASP 59 H ASP 59 -13.669 -1.176 -3.293 472 HA ASP 59 HA ASP 59 -16.423 -1.769 -3.599 473 HB2 ASP 59 2HB ASP 59 -14.551 0.173 -4.948 474 HB3 ASP 59 3HB ASP 59 -16.197 -0.021 -5.539 475 HA PRO 60 HA PRO 60 -16.602 -4.708 -6.978 476 HB2 PRO 60 2HB PRO 60 -18.725 -2.924 -8.097 477 HB3 PRO 60 3HB PRO 60 -18.764 -4.664 -7.789 478 HG2 PRO 60 2HG PRO 60 -20.031 -2.995 -6.158 479 HG3 PRO 60 3HG PRO 60 -19.138 -4.383 -5.504 480 HD2 PRO 60 2HD PRO 60 -18.363 -1.486 -5.564 481 HD3 PRO 60 3HD PRO 60 -18.111 -2.694 -4.285 482 H ASP 61 H ASP 61 -16.009 -1.359 -7.471 483 HA ASP 61 HA ASP 61 -15.714 -1.132 -10.226 484 HB2 ASP 61 2HB ASP 61 -15.684 0.805 -8.779 485 HB3 ASP 61 3HB ASP 61 -14.225 0.235 -7.971 486 H LYS 62 H LYS 62 -13.567 -2.677 -7.908 487 HA LYS 62 HA LYS 62 -11.619 -3.104 -10.087 488 HB2 LYS 62 2HB LYS 62 -11.133 -2.715 -7.144 489 HB3 LYS 62 3HB LYS 62 -9.916 -3.391 -8.215 490 HG2 LYS 62 2HG LYS 62 -11.179 -0.721 -8.768 491 HG3 LYS 62 3HG LYS 62 -9.807 -0.889 -7.674 492 HD2 LYS 62 2HD LYS 62 -8.746 -0.407 -9.673 493 HD3 LYS 62 3HD LYS 62 -8.708 -2.168 -9.677 494 HE2 LYS 62 2HE LYS 62 -9.333 -1.257 -11.866 495 HE3 LYS 62 3HE LYS 62 -10.629 -2.225 -11.177 496 HZ1 LYS 62 3HZ LYS 62 -11.443 -0.166 -12.166 497 HZ2 LYS 62 1HZ LYS 62 -10.490 0.738 -11.106 498 HZ3 LYS 62 2HZ LYS 62 -11.755 -0.208 -10.511 499 H GLU 63 H GLU 63 -12.278 -5.068 -10.844 500 HA GLU 63 HA GLU 63 -11.596 -7.312 -9.042 501 HB2 GLU 63 2HB GLU 63 -13.037 -8.768 -10.461 502 HB3 GLU 63 3HB GLU 63 -13.939 -7.524 -9.610 503 HG2 GLU 63 2HG GLU 63 -13.935 -6.179 -11.712 504 HG3 GLU 63 3HG GLU 63 -13.192 -7.552 -12.530 505 H LEU 64 H LEU 64 -9.621 -8.059 -9.546 506 HA LEU 64 HA LEU 64 -8.580 -7.415 -12.239 507 HB2 LEU 64 2HB LEU 64 -7.102 -7.428 -9.606 508 HB3 LEU 64 3HB LEU 64 -6.404 -7.035 -11.166 509 HG LEU 64 HG LEU 64 -8.571 -5.448 -9.769 510 HD11 LEU 64 1HD1 LEU 64 -5.643 -4.815 -10.168 511 HD12 LEU 64 2HD1 LEU 64 -6.404 -5.267 -8.642 512 HD13 LEU 64 3HD1 LEU 64 -6.847 -3.755 -9.432 513 HD21 LEU 64 3HD2 LEU 64 -8.183 -3.781 -11.534 514 HD22 LEU 64 1HD2 LEU 64 -8.774 -5.304 -12.194 515 HD23 LEU 64 2HD2 LEU 64 -7.065 -4.889 -12.333 516 H GLU 65 H GLU 65 -9.712 -10.015 -11.740 517 HA GLU 65 HA GLU 65 -7.558 -11.852 -11.266 518 HB2 GLU 65 2HB GLU 65 -10.333 -12.212 -12.379 519 HB3 GLU 65 3HB GLU 65 -9.171 -13.533 -12.380 520 HG2 GLU 65 2HG GLU 65 -8.957 -13.205 -9.891 521 HG3 GLU 65 3HG GLU 65 -10.321 -12.092 -9.998 522 H HIS 66 H HIS 66 -5.930 -11.026 -12.692 523 HA HIS 66 HA HIS 66 -6.200 -11.218 -15.526 524 HB2 HIS 66 2HB HIS 66 -4.428 -9.866 -14.405 525 HB3 HIS 66 3HB HIS 66 -3.664 -11.352 -13.856 526 HD1 HIS 66 HD1 HIS 66 -4.315 -9.347 -16.968 527 HD2 HIS 66 HD2 HIS 66 -2.101 -12.648 -15.757 528 HE1 HIS 66 HE1 HIS 66 -2.778 -9.864 -18.879 529 HE2 HIS 66 HE2 HIS 66 -1.309 -11.716 -18.034 530 H HIS 67 H HIS 67 -7.148 -13.224 -15.951 531 HA HIS 67 HA HIS 67 -6.486 -15.612 -14.650 532 HB2 HIS 67 2HB HIS 67 -8.611 -15.125 -15.911 533 HB3 HIS 67 3HB HIS 67 -7.719 -15.408 -17.403 534 HD1 HIS 67 HD1 HIS 67 -8.808 -17.225 -14.268 535 HD2 HIS 67 HD2 HIS 67 -7.473 -18.059 -18.111 536 HE1 HIS 67 HE1 HIS 67 -9.095 -19.697 -14.554 537 HE2 HIS 67 HE2 HIS 67 -8.460 -20.144 -16.944 538 H HIS 68 H HIS 68 -4.356 -16.083 -14.642 539 HA HIS 68 HA HIS 68 -3.269 -17.581 -16.783 540 HB2 HIS 68 2HB HIS 68 -2.905 -15.222 -17.648 541 HB3 HIS 68 3HB HIS 68 -1.841 -14.948 -16.275 542 HD1 HIS 68 HD1 HIS 68 -2.063 -16.805 -19.518 543 HD2 HIS 68 HD2 HIS 68 0.698 -16.093 -16.496 544 HE1 HIS 68 HE1 HIS 68 0.139 -17.606 -20.416 545 HE2 HIS 68 HE2 HIS 68 1.812 -17.030 -18.630 546 H HIS 69 H HIS 69 -2.867 -19.124 -15.220 547 HA HIS 69 HA HIS 69 -2.041 -18.466 -12.589 548 HB2 HIS 69 2HB HIS 69 -3.420 -20.447 -13.163 549 HB3 HIS 69 3HB HIS 69 -2.017 -21.180 -13.929 550 HD1 HIS 69 HD1 HIS 69 -0.289 -22.281 -12.410 551 HD2 HIS 69 HD2 HIS 69 -3.318 -20.345 -10.328 552 HE1 HIS 69 HE1 HIS 69 -0.022 -22.994 -10.019 553 HE2 HIS 69 HE2 HIS 69 -1.805 -21.743 -8.764 554 H HIS 70 H HIS 70 -0.084 -17.265 -12.899 555 HA HIS 70 HA HIS 70 2.313 -18.589 -13.787 556 HB2 HIS 70 2HB HIS 70 2.191 -16.169 -13.928 557 HB3 HIS 70 3HB HIS 70 1.885 -16.040 -12.200 558 HD1 HIS 70 HD1 HIS 70 3.938 -16.439 -10.603 559 HD2 HIS 70 HD2 HIS 70 4.867 -16.422 -14.655 560 HE1 HIS 70 HE1 HIS 70 6.435 -16.232 -10.723 561 HE2 HIS 70 HE2 HIS 70 6.981 -16.351 -13.169 562 H HIS 71 H HIS 71 3.172 -20.263 -12.640 563 HA HIS 71 HA HIS 71 2.794 -20.423 -9.769 564 HB2 HIS 71 2HB HIS 71 4.049 -22.569 -9.924 565 HB3 HIS 71 3HB HIS 71 2.638 -22.496 -10.967 566 HD1 HIS 71 HD1 HIS 71 3.017 -22.658 -13.480 567 HD2 HIS 71 HD2 HIS 71 6.541 -22.683 -11.279 568 HE1 HIS 71 HE1 HIS 71 4.801 -23.396 -15.078 569 HE2 HIS 71 HE2 HIS 71 6.900 -23.513 -13.701 Start of MODEL 4 1 H1 MET 1 1H MET 1 -30.223 -21.691 -1.863 2 H2 MET 1 2H MET 1 -29.832 -21.285 -0.271 3 H3 MET 1 3H MET 1 -30.648 -22.733 -0.600 4 HA MET 1 HA MET 1 -28.336 -23.156 -0.113 5 HB2 MET 1 2HB MET 1 -29.036 -23.563 -3.034 6 HB3 MET 1 3HB MET 1 -27.781 -24.432 -2.160 7 HG2 MET 1 2HG MET 1 -29.778 -25.786 -2.376 8 HG3 MET 1 3HG MET 1 -29.470 -25.397 -0.683 9 HE1 MET 1 3HE MET 1 -33.402 -25.509 -0.927 10 HE2 MET 1 1HE MET 1 -31.989 -26.138 -0.081 11 HE3 MET 1 2HE MET 1 -32.242 -26.528 -1.782 12 HA PRO 2 HA PRO 2 -25.559 -19.788 -1.111 13 HB2 PRO 2 2HB PRO 2 -23.468 -21.843 -0.553 14 HB3 PRO 2 3HB PRO 2 -23.684 -20.237 0.152 15 HG2 PRO 2 2HG PRO 2 -24.299 -22.419 1.548 16 HG3 PRO 2 3HG PRO 2 -25.309 -20.964 1.643 17 HD2 PRO 2 2HD PRO 2 -25.793 -23.510 0.137 18 HD3 PRO 2 3HD PRO 2 -26.941 -22.504 1.046 19 H THR 3 H THR 3 -24.378 -22.995 -2.172 20 HA THR 3 HA THR 3 -23.464 -23.760 -4.103 21 HB THR 3 HB THR 3 -24.886 -21.425 -5.411 22 HG1 THR 3 HG1 THR 3 -25.683 -24.050 -4.714 23 HG21 THR 3 3HG2 THR 3 -23.117 -22.332 -6.851 24 HG22 THR 3 1HG2 THR 3 -24.714 -22.739 -7.485 25 HG23 THR 3 2HG2 THR 3 -23.765 -23.960 -6.634 26 H LYS 4 H LYS 4 -23.369 -20.268 -4.851 27 HA LYS 4 HA LYS 4 -20.446 -20.452 -5.118 28 HB2 LYS 4 2HB LYS 4 -20.652 -18.250 -6.286 29 HB3 LYS 4 3HB LYS 4 -21.499 -19.568 -7.080 30 HG2 LYS 4 2HG LYS 4 -23.621 -18.771 -6.103 31 HG3 LYS 4 3HG LYS 4 -22.752 -17.421 -5.369 32 HD2 LYS 4 2HD LYS 4 -22.915 -17.986 -8.337 33 HD3 LYS 4 3HD LYS 4 -23.891 -16.795 -7.477 34 HE2 LYS 4 2HE LYS 4 -20.874 -16.771 -7.641 35 HE3 LYS 4 3HE LYS 4 -21.949 -15.798 -8.644 36 HZ1 LYS 4 3HZ LYS 4 -22.781 -14.728 -6.637 37 HZ2 LYS 4 1HZ LYS 4 -21.109 -14.523 -6.784 38 HZ3 LYS 4 2HZ LYS 4 -21.734 -15.648 -5.685 39 HA PRO 5 HA PRO 5 -20.395 -18.403 -1.108 40 HB2 PRO 5 2HB PRO 5 -17.757 -18.626 -0.621 41 HB3 PRO 5 3HB PRO 5 -18.839 -20.024 -0.547 42 HG2 PRO 5 2HG PRO 5 -17.012 -19.160 -2.771 43 HG3 PRO 5 3HG PRO 5 -17.259 -20.784 -2.098 44 HD2 PRO 5 2HD PRO 5 -18.459 -19.920 -4.396 45 HD3 PRO 5 3HD PRO 5 -19.184 -21.128 -3.314 46 HA PRO 6 HA PRO 6 -19.144 -14.224 -2.134 47 HB2 PRO 6 2HB PRO 6 -18.848 -13.702 0.744 48 HB3 PRO 6 3HB PRO 6 -20.019 -13.032 -0.396 49 HG2 PRO 6 2HG PRO 6 -20.724 -14.788 1.538 50 HG3 PRO 6 3HG PRO 6 -21.537 -14.730 -0.038 51 HD2 PRO 6 2HD PRO 6 -19.429 -16.632 0.943 52 HD3 PRO 6 3HD PRO 6 -20.898 -16.968 -0.006 53 H TYR 7 H TYR 7 -17.085 -14.588 -3.029 54 HA TYR 7 HA TYR 7 -14.758 -15.234 -1.605 55 HB2 TYR 7 2HB TYR 7 -15.042 -13.654 -4.175 56 HB3 TYR 7 3HB TYR 7 -13.537 -14.349 -3.577 57 HD1 TYR 7 HD1 TYR 7 -16.804 -15.094 -5.096 58 HD2 TYR 7 HD2 TYR 7 -13.138 -16.752 -3.695 59 HE1 TYR 7 HE1 TYR 7 -17.323 -17.200 -6.247 60 HE2 TYR 7 HE2 TYR 7 -13.657 -18.865 -4.840 61 HH TYR 7 HH TYR 7 -15.612 -20.081 -5.667 62 HA PRO 8 HA PRO 8 -14.600 -11.552 0.930 63 HB2 PRO 8 2HB PRO 8 -11.816 -12.498 1.419 64 HB3 PRO 8 3HB PRO 8 -13.083 -12.079 2.579 65 HG2 PRO 8 2HG PRO 8 -12.466 -14.626 2.122 66 HG3 PRO 8 3HG PRO 8 -14.157 -14.135 2.340 67 HD2 PRO 8 2HD PRO 8 -12.685 -14.789 -0.186 68 HD3 PRO 8 3HD PRO 8 -14.350 -15.192 0.281 69 H ARG 9 H ARG 9 -14.506 -9.708 -0.250 70 HA ARG 9 HA ARG 9 -12.128 -8.991 -1.769 71 HB2 ARG 9 2HB ARG 9 -14.340 -8.396 -2.652 72 HB3 ARG 9 3HB ARG 9 -14.684 -7.456 -1.208 73 HG2 ARG 9 2HG ARG 9 -14.101 -5.939 -2.950 74 HG3 ARG 9 3HG ARG 9 -12.763 -5.970 -1.799 75 HD2 ARG 9 2HD ARG 9 -11.712 -6.048 -3.880 76 HD3 ARG 9 3HD ARG 9 -11.724 -7.730 -3.354 77 HE ARG 9 HE ARG 9 -13.958 -6.937 -5.020 78 HH11 ARG 9 1HH1 ARG 9 -10.791 -8.313 -4.929 79 HH12 ARG 9 2HH1 ARG 9 -10.927 -9.001 -6.508 80 HH21 ARG 9 1HH2 ARG 9 -14.106 -7.812 -7.044 81 HH22 ARG 9 2HH2 ARG 9 -12.794 -8.742 -7.685 82 H GLU 10 H GLU 10 -10.477 -8.740 -0.258 83 HA GLU 10 HA GLU 10 -10.745 -6.531 1.657 84 HB2 GLU 10 2HB GLU 10 -11.360 -8.644 2.810 85 HB3 GLU 10 3HB GLU 10 -9.775 -9.298 2.422 86 HG2 GLU 10 2HG GLU 10 -8.746 -7.489 3.756 87 HG3 GLU 10 3HG GLU 10 -10.360 -6.930 4.194 88 H ALA 11 H ALA 11 -8.860 -5.420 2.101 89 HA ALA 11 HA ALA 11 -6.316 -6.466 1.038 90 HB1 ALA 11 3HB ALA 11 -5.793 -4.317 -0.003 91 HB2 ALA 11 1HB ALA 11 -7.376 -3.695 0.468 92 HB3 ALA 11 2HB ALA 11 -7.256 -5.017 -0.694 93 H TYR 12 H TYR 12 -4.397 -5.242 1.862 94 HA TYR 12 HA TYR 12 -4.866 -3.744 4.333 95 HB2 TYR 12 2HB TYR 12 -3.213 -5.120 5.577 96 HB3 TYR 12 3HB TYR 12 -4.651 -6.022 5.116 97 HD1 TYR 12 HD1 TYR 12 -4.513 -7.631 3.157 98 HD2 TYR 12 HD2 TYR 12 -1.052 -5.828 4.869 99 HE1 TYR 12 HE1 TYR 12 -3.105 -9.360 2.123 100 HE2 TYR 12 HE2 TYR 12 0.361 -7.557 3.838 101 HH TYR 12 HH TYR 12 -0.823 -9.726 1.455 102 H ILE 13 H ILE 13 -3.307 -2.259 4.858 103 HA ILE 13 HA ILE 13 -1.402 -1.611 2.732 104 HB ILE 13 HB ILE 13 -2.227 0.005 5.160 105 HG12 ILE 13 2HG1 ILE 13 -3.107 0.237 2.264 106 HG13 ILE 13 3HG1 ILE 13 -4.090 -0.400 3.578 107 HG21 ILE 13 1HG2 ILE 13 -0.661 0.838 2.710 108 HG22 ILE 13 2HG2 ILE 13 -0.009 0.635 4.336 109 HG23 ILE 13 3HG2 ILE 13 -1.187 1.907 4.010 110 HD11 ILE 13 3HD1 ILE 13 -4.708 1.877 3.026 111 HD12 ILE 13 1HD1 ILE 13 -3.061 2.416 3.348 112 HD13 ILE 13 2HD1 ILE 13 -4.052 1.784 4.662 113 H VAL 14 H VAL 14 0.783 -1.632 2.955 114 HA VAL 14 HA VAL 14 1.948 -2.225 5.608 115 HB VAL 14 HB VAL 14 2.986 -3.215 2.935 116 HG11 VAL 14 1HG1 VAL 14 4.781 -2.858 4.528 117 HG12 VAL 14 2HG1 VAL 14 4.510 -4.588 4.312 118 HG13 VAL 14 3HG1 VAL 14 3.909 -3.776 5.757 119 HG21 VAL 14 3HG2 VAL 14 1.553 -4.728 5.131 120 HG22 VAL 14 1HG2 VAL 14 2.296 -5.453 3.703 121 HG23 VAL 14 2HG2 VAL 14 0.919 -4.365 3.524 122 H THR 15 H THR 15 3.737 -1.027 6.222 123 HA THR 15 HA THR 15 4.366 1.280 4.513 124 HB THR 15 HB THR 15 5.363 2.283 6.546 125 HG1 THR 15 HG1 THR 15 5.776 0.098 7.532 126 HG21 THR 15 3HG2 THR 15 3.267 2.649 7.759 127 HG22 THR 15 1HG2 THR 15 2.545 1.257 6.953 128 HG23 THR 15 2HG2 THR 15 2.995 2.683 6.015 129 H ILE 16 H ILE 16 6.282 1.536 3.543 130 HA ILE 16 HA ILE 16 8.611 -0.041 4.476 131 HB ILE 16 HB ILE 16 9.410 -0.184 2.162 132 HG12 ILE 16 2HG1 ILE 16 6.752 1.061 1.391 133 HG13 ILE 16 3HG1 ILE 16 8.308 1.880 1.317 134 HG21 ILE 16 1HG2 ILE 16 7.773 -1.807 1.308 135 HG22 ILE 16 2HG2 ILE 16 6.596 -1.236 2.492 136 HG23 ILE 16 3HG2 ILE 16 8.078 -2.029 3.032 137 HD11 ILE 16 3HD1 ILE 16 7.534 -0.558 -0.268 138 HD12 ILE 16 1HD1 ILE 16 9.072 0.302 -0.365 139 HD13 ILE 16 2HD1 ILE 16 7.579 1.098 -0.869 140 H GLU 17 H GLU 17 10.738 0.981 3.525 141 HA GLU 17 HA GLU 17 10.555 3.926 3.679 142 HB2 GLU 17 2HB GLU 17 12.541 2.160 5.124 143 HB3 GLU 17 3HB GLU 17 12.656 3.912 5.026 144 HG2 GLU 17 2HG GLU 17 10.531 4.126 6.217 145 HG3 GLU 17 3HG GLU 17 10.402 2.371 6.304 146 H LYS 18 H LYS 18 11.584 4.963 2.086 147 HA LYS 18 HA LYS 18 13.756 3.576 0.624 148 HB2 LYS 18 2HB LYS 18 11.752 5.570 -0.473 149 HB3 LYS 18 3HB LYS 18 13.051 4.818 -1.389 150 HG2 LYS 18 2HG LYS 18 12.021 2.620 -1.064 151 HG3 LYS 18 3HG LYS 18 10.720 3.365 -0.130 152 HD2 LYS 18 2HD LYS 18 10.130 4.718 -2.136 153 HD3 LYS 18 3HD LYS 18 11.353 3.830 -3.049 154 HE2 LYS 18 2HE LYS 18 8.952 2.604 -1.682 155 HE3 LYS 18 3HE LYS 18 9.083 2.934 -3.407 156 HZ1 LYS 18 3HZ LYS 18 10.923 1.384 -3.532 157 HZ2 LYS 18 1HZ LYS 18 9.556 0.619 -2.903 158 HZ3 LYS 18 2HZ LYS 18 10.818 1.072 -1.874 159 H GLY 19 H GLY 19 15.258 5.202 -0.527 160 HA2 GLY 19 2HA GLY 19 16.210 7.394 -0.638 161 HA3 GLY 19 3HA GLY 19 15.460 7.774 0.902 162 H LYS 20 H LYS 20 17.193 8.388 2.104 163 HA LYS 20 HA LYS 20 19.703 6.883 1.921 164 HB2 LYS 20 2HB LYS 20 19.073 9.519 3.277 165 HB3 LYS 20 3HB LYS 20 20.674 8.797 3.161 166 HG2 LYS 20 2HG LYS 20 20.611 9.002 0.734 167 HG3 LYS 20 3HG LYS 20 18.981 9.670 0.820 168 HD2 LYS 20 2HD LYS 20 19.813 11.602 2.055 169 HD3 LYS 20 3HD LYS 20 21.443 10.926 2.057 170 HE2 LYS 20 2HE LYS 20 21.189 12.656 0.338 171 HE3 LYS 20 3HE LYS 20 21.520 11.081 -0.383 172 HZ1 LYS 20 3HZ LYS 20 19.777 12.249 -1.576 173 HZ2 LYS 20 1HZ LYS 20 18.844 12.358 -0.167 174 HZ3 LYS 20 2HZ LYS 20 19.162 10.849 -0.862 175 HA PRO 21 HA PRO 21 19.184 4.727 5.839 176 HB2 PRO 21 2HB PRO 21 21.874 4.772 6.581 177 HB3 PRO 21 3HB PRO 21 21.118 3.547 5.560 178 HG2 PRO 21 2HG PRO 21 22.695 5.965 4.767 179 HG3 PRO 21 3HG PRO 21 22.724 4.332 4.073 180 HD2 PRO 21 2HD PRO 21 21.433 6.321 2.842 181 HD3 PRO 21 3HD PRO 21 20.752 4.679 2.869 182 H GLY 22 H GLY 22 18.087 6.146 7.152 183 HA2 GLY 22 2HA GLY 22 18.330 7.398 9.260 184 HA3 GLY 22 3HA GLY 22 19.645 8.283 8.497 185 H GLN 23 H GLN 23 18.756 9.084 6.141 186 HA GLN 23 HA GLN 23 16.339 10.662 6.690 187 HB2 GLN 23 2HB GLN 23 18.432 10.945 4.519 188 HB3 GLN 23 3HB GLN 23 17.027 11.988 4.695 189 HG2 GLN 23 2HG GLN 23 19.227 11.666 6.732 190 HG3 GLN 23 3HG GLN 23 19.074 13.000 5.591 191 HE21 GLN 23 1HE2 GLN 23 17.779 11.523 8.453 192 HE22 GLN 23 2HE2 GLN 23 16.816 12.866 8.949 193 H THR 24 H THR 24 14.959 8.786 6.398 194 HA THR 24 HA THR 24 14.724 7.828 3.615 195 HB THR 24 HB THR 24 13.406 5.948 4.509 196 HG1 THR 24 HG1 THR 24 13.356 5.680 6.833 197 HG21 THR 24 3HG2 THR 24 16.047 6.306 5.938 198 HG22 THR 24 1HG2 THR 24 15.832 5.677 4.304 199 HG23 THR 24 2HG2 THR 24 15.209 4.776 5.685 200 H VAL 25 H VAL 25 12.546 7.398 2.810 201 HA VAL 25 HA VAL 25 10.451 9.142 3.955 202 HB VAL 25 HB VAL 25 10.814 8.403 1.030 203 HG11 VAL 25 1HG1 VAL 25 8.470 8.693 1.653 204 HG12 VAL 25 2HG1 VAL 25 9.008 10.017 0.622 205 HG13 VAL 25 3HG1 VAL 25 8.836 10.266 2.360 206 HG21 VAL 25 3HG2 VAL 25 11.384 10.773 0.687 207 HG22 VAL 25 1HG2 VAL 25 12.538 9.979 1.756 208 HG23 VAL 25 2HG2 VAL 25 11.302 11.044 2.429 209 H THR 26 H THR 26 8.817 7.972 4.792 210 HA THR 26 HA THR 26 8.637 5.143 4.332 211 HB THR 26 HB THR 26 6.766 6.951 5.886 212 HG1 THR 26 HG1 THR 26 8.188 5.432 7.493 213 HG21 THR 26 3HG2 THR 26 7.067 3.935 5.911 214 HG22 THR 26 1HG2 THR 26 5.687 4.835 5.274 215 HG23 THR 26 2HG2 THR 26 6.044 4.873 7.002 216 H TRP 27 H TRP 27 7.708 4.283 2.613 217 HA TRP 27 HA TRP 27 5.499 5.642 1.237 218 HB2 TRP 27 2HB TRP 27 7.369 3.410 0.468 219 HB3 TRP 27 3HB TRP 27 5.888 3.692 -0.434 220 HD1 TRP 27 HD1 TRP 27 9.129 5.611 0.525 221 HE1 TRP 27 HE1 TRP 27 9.646 7.261 -1.382 222 HE3 TRP 27 HE3 TRP 27 4.999 4.814 -2.372 223 HZ2 TRP 27 HZ2 TRP 27 8.456 8.111 -3.791 224 HZ3 TRP 27 HZ3 TRP 27 4.768 6.079 -4.471 225 HH2 TRP 27 HH2 TRP 27 6.465 7.692 -5.162 226 H TYR 28 H TYR 28 3.542 4.585 0.756 227 HA TYR 28 HA TYR 28 2.881 2.359 2.577 228 HB2 TYR 28 2HB TYR 28 1.072 4.447 1.330 229 HB3 TYR 28 3HB TYR 28 0.539 3.147 2.392 230 HD1 TYR 28 HD2 TYR 28 2.693 6.178 2.259 231 HD2 TYR 28 HD1 TYR 28 0.602 3.423 4.748 232 HE1 TYR 28 HE2 TYR 28 3.120 7.618 4.201 233 HE2 TYR 28 HE1 TYR 28 1.030 4.858 6.696 234 HH TYR 28 HH TYR 28 2.615 6.578 7.403 235 H GLN 29 H GLN 29 2.789 0.455 1.611 236 HA GLN 29 HA GLN 29 2.028 0.228 -1.213 237 HB2 GLN 29 2HB GLN 29 3.230 -1.785 0.699 238 HB3 GLN 29 3HB GLN 29 2.805 -2.135 -0.969 239 HG2 GLN 29 2HG GLN 29 4.422 -0.406 -1.695 240 HG3 GLN 29 3HG GLN 29 4.891 -0.186 -0.009 241 HE21 GLN 29 1HE2 GLN 29 6.431 -1.111 -2.337 242 HE22 GLN 29 2HE2 GLN 29 7.074 -2.649 -1.885 243 H LEU 30 H LEU 30 0.075 -0.531 -1.814 244 HA LEU 30 HA LEU 30 -1.725 -1.597 0.230 245 HB2 LEU 30 2HB LEU 30 -2.580 0.138 -1.278 246 HB3 LEU 30 3HB LEU 30 -2.241 -0.885 -2.662 247 HG LEU 30 HG LEU 30 -3.901 -2.533 -1.838 248 HD11 LEU 30 1HD1 LEU 30 -3.749 -2.032 0.548 249 HD12 LEU 30 2HD1 LEU 30 -5.414 -1.942 -0.019 250 HD13 LEU 30 3HD1 LEU 30 -4.503 -0.459 0.276 251 HD21 LEU 30 3HD2 LEU 30 -4.993 0.268 -2.131 252 HD22 LEU 30 1HD2 LEU 30 -5.888 -1.231 -2.381 253 HD23 LEU 30 2HD2 LEU 30 -4.555 -0.812 -3.454 254 H ARG 31 H ARG 31 -1.448 -3.713 0.626 255 HA ARG 31 HA ARG 31 -1.157 -5.568 -1.649 256 HB2 ARG 31 2HB ARG 31 -0.701 -5.980 1.317 257 HB3 ARG 31 3HB ARG 31 -0.661 -7.282 0.137 258 HG2 ARG 31 2HG ARG 31 1.206 -6.112 -1.018 259 HG3 ARG 31 3HG ARG 31 1.210 -4.916 0.280 260 HD2 ARG 31 2HD ARG 31 1.685 -6.671 1.913 261 HD3 ARG 31 3HD ARG 31 1.633 -7.888 0.640 262 HE ARG 31 HE ARG 31 3.586 -5.763 0.321 263 HH11 ARG 31 1HH1 ARG 31 2.934 -9.000 1.291 264 HH12 ARG 31 2HH1 ARG 31 4.592 -9.473 1.230 265 HH21 ARG 31 1HH2 ARG 31 5.731 -6.375 0.284 266 HH22 ARG 31 2HH2 ARG 31 6.154 -7.998 0.693 267 H ALA 32 H ALA 32 -2.419 -7.607 -1.521 268 HA ALA 32 HA ALA 32 -4.895 -7.461 0.047 269 HB1 ALA 32 3HB ALA 32 -4.882 -7.885 -2.946 270 HB2 ALA 32 1HB ALA 32 -5.399 -6.413 -2.123 271 HB3 ALA 32 2HB ALA 32 -6.297 -7.915 -1.890 272 H ASP 33 H ASP 33 -5.660 -9.433 0.699 273 HA ASP 33 HA ASP 33 -4.072 -11.752 0.523 274 HB2 ASP 33 2HB ASP 33 -7.016 -11.515 1.187 275 HB3 ASP 33 3HB ASP 33 -5.999 -12.907 1.539 276 H HIS 34 H HIS 34 -6.257 -10.431 -1.732 277 HA HIS 34 HA HIS 34 -6.465 -12.996 -3.177 278 HB2 HIS 34 2HB HIS 34 -8.637 -10.890 -2.997 279 HB3 HIS 34 3HB HIS 34 -8.747 -12.440 -3.828 280 HD1 HIS 34 HD1 HIS 34 -8.639 -10.959 -0.364 281 HD2 HIS 34 HD2 HIS 34 -9.394 -14.605 -2.208 282 HE1 HIS 34 HE1 HIS 34 -9.539 -12.447 1.442 283 HE2 HIS 34 HE2 HIS 34 -9.905 -14.670 0.326 284 HA PRO 35 HA PRO 35 -6.706 -13.845 -5.009 285 HB2 PRO 35 2HB PRO 35 -5.202 -14.616 -7.120 286 HB3 PRO 35 3HB PRO 35 -6.805 -13.895 -7.308 287 HG2 PRO 35 2HG PRO 35 -4.108 -12.645 -7.635 288 HG3 PRO 35 3HG PRO 35 -5.577 -12.410 -8.599 289 HD2 PRO 35 2HD PRO 35 -4.707 -10.672 -6.639 290 HD3 PRO 35 3HD PRO 35 -6.390 -10.811 -7.178 291 H LYS 36 H LYS 36 -3.349 -12.803 -5.849 292 HA LYS 36 HA LYS 36 -2.201 -14.928 -4.268 293 HB2 LYS 36 2HB LYS 36 -0.920 -12.504 -5.569 294 HB3 LYS 36 3HB LYS 36 -0.029 -13.804 -4.793 295 HG2 LYS 36 2HG LYS 36 -1.795 -14.090 -7.224 296 HG3 LYS 36 3HG LYS 36 -0.032 -14.026 -7.226 297 HD2 LYS 36 2HD LYS 36 -1.743 -16.153 -5.924 298 HD3 LYS 36 3HD LYS 36 -0.823 -16.329 -7.418 299 HE2 LYS 36 2HE LYS 36 0.289 -15.874 -4.647 300 HE3 LYS 36 3HE LYS 36 0.379 -17.358 -5.591 301 HZ1 LYS 36 3HZ LYS 36 1.704 -16.113 -7.242 302 HZ2 LYS 36 1HZ LYS 36 2.451 -16.219 -5.727 303 HZ3 LYS 36 2HZ LYS 36 1.706 -14.782 -6.201 304 HA PRO 37 HA PRO 37 -2.253 -12.941 -0.277 305 HB2 PRO 37 2HB PRO 37 0.182 -13.884 0.692 306 HB3 PRO 37 3HB PRO 37 -1.353 -14.755 0.766 307 HG2 PRO 37 2HG PRO 37 0.883 -15.018 -1.206 308 HG3 PRO 37 3HG PRO 37 -0.117 -16.284 -0.469 309 HD2 PRO 37 2HD PRO 37 -0.554 -15.470 -2.982 310 HD3 PRO 37 3HD PRO 37 -1.908 -15.879 -1.906 311 H ASP 38 H ASP 38 0.583 -12.631 -2.350 312 HA ASP 38 HA ASP 38 1.373 -10.139 -1.011 313 HB2 ASP 38 2HB ASP 38 2.750 -11.721 -3.198 314 HB3 ASP 38 3HB ASP 38 3.394 -10.272 -2.429 315 H SER 39 H SER 39 -1.046 -10.476 -2.823 316 HA SER 39 HA SER 39 -0.623 -9.302 -5.329 317 HB2 SER 39 2HB SER 39 -2.738 -10.392 -4.756 318 HB3 SER 39 3HB SER 39 -3.089 -9.134 -3.571 319 HG SER 39 HG SER 39 -4.159 -8.470 -5.332 320 H LEU 40 H LEU 40 0.732 -7.540 -5.296 321 HA LEU 40 HA LEU 40 0.147 -5.228 -3.645 322 HB2 LEU 40 2HB LEU 40 2.474 -5.884 -4.079 323 HB3 LEU 40 3HB LEU 40 2.227 -5.665 -5.801 324 HG LEU 40 HG LEU 40 1.869 -3.240 -5.431 325 HD11 LEU 40 1HD1 LEU 40 2.414 -2.253 -3.254 326 HD12 LEU 40 2HD1 LEU 40 2.581 -3.865 -2.562 327 HD13 LEU 40 3HD1 LEU 40 1.013 -3.315 -3.153 328 HD21 LEU 40 3HD2 LEU 40 4.198 -2.679 -4.912 329 HD22 LEU 40 1HD2 LEU 40 4.097 -4.068 -5.997 330 HD23 LEU 40 2HD2 LEU 40 4.455 -4.307 -4.287 331 H ILE 41 H ILE 41 -1.420 -3.853 -4.229 332 HA ILE 41 HA ILE 41 -2.375 -3.710 -6.953 333 HB ILE 41 HB ILE 41 -3.205 -2.046 -4.562 334 HG12 ILE 41 2HG1 ILE 41 -3.541 -4.442 -4.123 335 HG13 ILE 41 3HG1 ILE 41 -5.086 -3.625 -4.330 336 HG21 ILE 41 1HG2 ILE 41 -3.866 -1.007 -6.647 337 HG22 ILE 41 2HG2 ILE 41 -5.289 -1.686 -5.854 338 HG23 ILE 41 3HG2 ILE 41 -4.559 -2.526 -7.221 339 HD11 ILE 41 3HD1 ILE 41 -5.218 -4.481 -6.622 340 HD12 ILE 41 1HD1 ILE 41 -5.095 -5.776 -5.432 341 HD13 ILE 41 2HD1 ILE 41 -3.686 -5.323 -6.389 342 H SER 42 H SER 42 -1.020 -1.286 -4.673 343 HA SER 42 HA SER 42 0.483 0.042 -6.725 344 HB2 SER 42 2HB SER 42 -2.039 1.382 -5.713 345 HB3 SER 42 3HB SER 42 -0.715 2.284 -6.439 346 HG SER 42 HG SER 42 -1.856 0.101 -7.805 347 H GLU 43 H GLU 43 1.852 1.711 -5.929 348 HA GLU 43 HA GLU 43 2.092 1.837 -2.985 349 HB2 GLU 43 2HB GLU 43 4.111 2.593 -5.121 350 HB3 GLU 43 3HB GLU 43 4.392 2.629 -3.387 351 HG2 GLU 43 2HG GLU 43 4.163 0.211 -3.275 352 HG3 GLU 43 3HG GLU 43 3.801 0.147 -5.000 353 H HIS 44 H HIS 44 1.978 3.818 -1.917 354 HA HIS 44 HA HIS 44 1.751 6.253 -3.558 355 HB2 HIS 44 2HB HIS 44 -0.236 5.365 -1.461 356 HB3 HIS 44 3HB HIS 44 -0.155 7.010 -2.077 357 HD1 HIS 44 HD1 HIS 44 -2.193 4.264 -2.499 358 HD2 HIS 44 HD2 HIS 44 -0.182 6.675 -5.212 359 HE1 HIS 44 HE1 HIS 44 -3.413 3.989 -4.671 360 HE2 HIS 44 HE2 HIS 44 -2.313 5.627 -6.229 361 HA PRO 45 HA PRO 45 4.427 8.137 -0.576 362 HB2 PRO 45 2HB PRO 45 2.942 10.662 -0.985 363 HB3 PRO 45 3HB PRO 45 4.636 10.290 -1.310 364 HG2 PRO 45 2HG PRO 45 2.840 10.604 -3.286 365 HG3 PRO 45 3HG PRO 45 4.190 9.456 -3.417 366 HD2 PRO 45 2HD PRO 45 1.300 8.940 -2.827 367 HD3 PRO 45 3HD PRO 45 2.441 7.994 -3.806 368 H THR 46 H THR 46 1.029 9.310 -0.282 369 HA THR 46 HA THR 46 1.424 9.470 2.641 370 HB THR 46 HB THR 46 -0.536 10.861 2.765 371 HG1 THR 46 HG1 THR 46 -0.922 10.917 -0.005 372 HG21 THR 46 3HG2 THR 46 1.197 11.708 0.435 373 HG22 THR 46 1HG2 THR 46 1.529 12.009 2.144 374 HG23 THR 46 2HG2 THR 46 0.142 12.770 1.366 375 H ALA 47 H ALA 47 -0.276 8.753 4.077 376 HA ALA 47 HA ALA 47 -1.137 6.111 3.575 377 HB1 ALA 47 3HB ALA 47 -2.277 6.262 5.716 378 HB2 ALA 47 1HB ALA 47 -2.111 8.018 5.705 379 HB3 ALA 47 2HB ALA 47 -0.678 6.997 5.824 380 H GLN 48 H GLN 48 -2.834 9.218 3.419 381 HA GLN 48 HA GLN 48 -5.450 8.240 3.191 382 HB2 GLN 48 2HB GLN 48 -4.869 10.612 3.629 383 HB3 GLN 48 3HB GLN 48 -4.325 10.772 1.965 384 HG2 GLN 48 2HG GLN 48 -6.580 11.691 2.362 385 HG3 GLN 48 3HG GLN 48 -6.552 10.423 1.138 386 HE21 GLN 48 1HE2 GLN 48 -7.573 8.487 1.545 387 HE22 GLN 48 2HE2 GLN 48 -8.635 8.254 2.890 388 H GLU 49 H GLU 49 -3.116 9.050 0.608 389 HA GLU 49 HA GLU 49 -4.661 8.338 -1.611 390 HB2 GLU 49 2HB GLU 49 -1.680 7.985 -1.189 391 HB3 GLU 49 3HB GLU 49 -2.487 7.873 -2.747 392 HG2 GLU 49 2HG GLU 49 -3.107 10.198 -2.653 393 HG3 GLU 49 3HG GLU 49 -2.472 10.339 -1.013 394 H ALA 50 H ALA 50 -2.643 6.304 0.482 395 HA ALA 50 HA ALA 50 -2.990 3.884 -0.952 396 HB1 ALA 50 3HB ALA 50 -2.351 4.261 1.977 397 HB2 ALA 50 1HB ALA 50 -1.176 4.244 0.660 398 HB3 ALA 50 2HB ALA 50 -2.101 2.788 1.034 399 H MET 51 H MET 51 -4.819 5.366 1.702 400 HA MET 51 HA MET 51 -6.527 3.121 2.136 401 HB2 MET 51 2HB MET 51 -6.922 6.025 2.895 402 HB3 MET 51 3HB MET 51 -7.909 4.683 3.465 403 HG2 MET 51 2HG MET 51 -5.811 3.678 4.420 404 HG3 MET 51 3HG MET 51 -5.003 5.198 4.042 405 HE1 MET 51 3HE MET 51 -8.694 4.552 5.317 406 HE2 MET 51 1HE MET 51 -8.459 4.712 7.057 407 HE3 MET 51 2HE MET 51 -7.701 3.380 6.182 408 H ASP 52 H ASP 52 -6.875 6.108 0.211 409 HA ASP 52 HA ASP 52 -9.486 5.655 -0.706 410 HB2 ASP 52 2HB ASP 52 -7.147 7.171 -1.821 411 HB3 ASP 52 3HB ASP 52 -8.608 6.988 -2.784 412 H ALA 53 H ALA 53 -6.388 4.516 -2.010 413 HA ALA 53 HA ALA 53 -7.427 3.065 -4.201 414 HB1 ALA 53 3HB ALA 53 -4.941 2.498 -2.572 415 HB2 ALA 53 1HB ALA 53 -5.040 3.593 -3.953 416 HB3 ALA 53 2HB ALA 53 -5.296 1.864 -4.180 417 H LYS 54 H LYS 54 -6.725 2.072 -0.849 418 HA LYS 54 HA LYS 54 -7.504 -0.604 -0.985 419 HB2 LYS 54 2HB LYS 54 -6.358 0.383 0.948 420 HB3 LYS 54 3HB LYS 54 -7.779 1.348 1.318 421 HG2 LYS 54 2HG LYS 54 -9.047 -0.708 1.768 422 HG3 LYS 54 3HG LYS 54 -7.603 -1.663 1.424 423 HD2 LYS 54 2HD LYS 54 -6.441 -0.629 3.297 424 HD3 LYS 54 3HD LYS 54 -7.824 0.421 3.608 425 HE2 LYS 54 2HE LYS 54 -9.202 -1.575 4.077 426 HE3 LYS 54 3HE LYS 54 -7.781 -2.594 3.832 427 HZ1 LYS 54 3HZ LYS 54 -7.986 -0.460 5.881 428 HZ2 LYS 54 1HZ LYS 54 -6.718 -1.562 5.697 429 HZ3 LYS 54 2HZ LYS 54 -8.244 -2.099 6.183 430 H LYS 55 H LYS 55 -9.456 2.254 -0.199 431 HA LYS 55 HA LYS 55 -11.950 1.089 0.124 432 HB2 LYS 55 2HB LYS 55 -11.150 3.777 -1.008 433 HB3 LYS 55 3HB LYS 55 -12.824 3.338 -0.688 434 HG2 LYS 55 2HG LYS 55 -12.505 3.303 1.623 435 HG3 LYS 55 3HG LYS 55 -10.753 3.153 1.476 436 HD2 LYS 55 2HD LYS 55 -11.464 5.402 2.227 437 HD3 LYS 55 3HD LYS 55 -10.572 5.438 0.708 438 HE2 LYS 55 2HE LYS 55 -12.757 5.544 -0.497 439 HE3 LYS 55 3HE LYS 55 -13.563 5.675 1.068 440 HZ1 LYS 55 3HZ LYS 55 -11.573 7.577 -0.051 441 HZ2 LYS 55 1HZ LYS 55 -12.266 7.699 1.488 442 HZ3 LYS 55 2HZ LYS 55 -13.232 7.846 0.111 443 H ARG 56 H ARG 56 -10.570 2.424 -2.923 444 HA ARG 56 HA ARG 56 -12.683 1.679 -4.594 445 HB2 ARG 56 2HB ARG 56 -9.755 2.101 -5.159 446 HB3 ARG 56 3HB ARG 56 -10.870 1.617 -6.431 447 HG2 ARG 56 2HG ARG 56 -12.255 3.666 -5.722 448 HG3 ARG 56 3HG ARG 56 -10.790 4.183 -4.879 449 HD2 ARG 56 2HD ARG 56 -10.972 5.131 -7.162 450 HD3 ARG 56 3HD ARG 56 -9.532 4.134 -6.950 451 HE ARG 56 HE ARG 56 -10.783 2.338 -8.118 452 HH11 ARG 56 1HH1 ARG 56 -11.804 5.609 -8.577 453 HH12 ARG 56 2HH1 ARG 56 -12.506 5.262 -10.123 454 HH21 ARG 56 1HH2 ARG 56 -11.702 1.939 -10.083 455 HH22 ARG 56 2HH2 ARG 56 -12.470 3.229 -10.950 456 H TYR 57 H TYR 57 -10.116 -0.289 -3.270 457 HA TYR 57 HA TYR 57 -10.627 -2.515 -5.033 458 HB2 TYR 57 2HB TYR 57 -8.397 -2.235 -4.064 459 HB3 TYR 57 3HB TYR 57 -9.061 -2.386 -2.438 460 HD1 TYR 57 HD1 TYR 57 -8.289 -4.213 -5.557 461 HD2 TYR 57 HD2 TYR 57 -9.624 -4.555 -1.525 462 HE1 TYR 57 HE1 TYR 57 -8.006 -6.653 -5.671 463 HE2 TYR 57 HE2 TYR 57 -9.343 -6.993 -1.632 464 HH TYR 57 HH TYR 57 -7.669 -8.550 -4.143 465 H GLU 58 H GLU 58 -11.464 -1.721 -1.653 466 HA GLU 58 HA GLU 58 -12.786 -4.281 -1.301 467 HB2 GLU 58 2HB GLU 58 -12.609 -1.932 0.593 468 HB3 GLU 58 3HB GLU 58 -13.175 -3.549 0.997 469 HG2 GLU 58 2HG GLU 58 -10.924 -4.426 0.421 470 HG3 GLU 58 3HG GLU 58 -10.384 -2.767 0.167 471 H ASP 59 H ASP 59 -13.754 -1.152 -2.309 472 HA ASP 59 HA ASP 59 -16.523 -1.433 -1.552 473 HB2 ASP 59 2HB ASP 59 -15.077 0.531 -3.341 474 HB3 ASP 59 3HB ASP 59 -16.819 0.575 -3.091 475 HA PRO 60 HA PRO 60 -18.417 -3.785 -4.735 476 HB2 PRO 60 2HB PRO 60 -19.839 -1.313 -5.668 477 HB3 PRO 60 3HB PRO 60 -20.485 -2.924 -5.321 478 HG2 PRO 60 2HG PRO 60 -20.799 -0.953 -3.565 479 HG3 PRO 60 3HG PRO 60 -20.422 -2.596 -3.012 480 HD2 PRO 60 2HD PRO 60 -18.656 -0.193 -3.166 481 HD3 PRO 60 3HD PRO 60 -18.658 -1.522 -1.988 482 H ASP 61 H ASP 61 -16.431 -4.045 -5.895 483 HA ASP 61 HA ASP 61 -15.594 -2.369 -8.020 484 HB2 ASP 61 2HB ASP 61 -14.223 -4.370 -8.681 485 HB3 ASP 61 3HB ASP 61 -14.034 -3.886 -6.999 486 H LYS 62 H LYS 62 -18.406 -4.007 -7.858 487 HA LYS 62 HA LYS 62 -18.455 -5.173 -10.506 488 HB2 LYS 62 2HB LYS 62 -20.662 -4.835 -8.456 489 HB3 LYS 62 3HB LYS 62 -20.821 -5.714 -9.969 490 HG2 LYS 62 2HG LYS 62 -20.473 -7.348 -8.308 491 HG3 LYS 62 3HG LYS 62 -18.937 -7.202 -9.167 492 HD2 LYS 62 2HD LYS 62 -18.121 -5.701 -7.361 493 HD3 LYS 62 3HD LYS 62 -19.630 -5.979 -6.490 494 HE2 LYS 62 2HE LYS 62 -17.879 -7.417 -5.618 495 HE3 LYS 62 3HE LYS 62 -19.119 -8.387 -6.409 496 HZ1 LYS 62 3HZ LYS 62 -16.529 -7.593 -7.630 497 HZ2 LYS 62 1HZ LYS 62 -17.707 -8.569 -8.351 498 HZ3 LYS 62 2HZ LYS 62 -16.876 -9.110 -6.981 499 H GLU 63 H GLU 63 -18.907 -2.044 -9.290 500 HA GLU 63 HA GLU 63 -21.031 -1.114 -10.913 501 HB2 GLU 63 2HB GLU 63 -20.180 0.164 -8.979 502 HB3 GLU 63 3HB GLU 63 -18.666 0.449 -9.830 503 HG2 GLU 63 2HG GLU 63 -19.894 1.689 -11.567 504 HG3 GLU 63 3HG GLU 63 -21.392 1.434 -10.678 505 H LEU 64 H LEU 64 -21.005 0.060 -12.874 506 HA LEU 64 HA LEU 64 -19.105 -0.797 -14.820 507 HB2 LEU 64 2HB LEU 64 -21.222 1.362 -14.964 508 HB3 LEU 64 3HB LEU 64 -20.271 0.823 -16.331 509 HG LEU 64 HG LEU 64 -22.407 -0.204 -16.504 510 HD11 LEU 64 1HD1 LEU 64 -20.533 -1.636 -17.100 511 HD12 LEU 64 2HD1 LEU 64 -21.874 -2.580 -16.451 512 HD13 LEU 64 3HD1 LEU 64 -20.461 -2.250 -15.448 513 HD21 LEU 64 3HD2 LEU 64 -23.403 -1.586 -14.758 514 HD22 LEU 64 1HD2 LEU 64 -23.150 0.064 -14.194 515 HD23 LEU 64 2HD2 LEU 64 -22.053 -1.221 -13.682 516 H GLU 65 H GLU 65 -19.633 2.240 -13.085 517 HA GLU 65 HA GLU 65 -18.357 4.063 -12.692 518 HB2 GLU 65 2HB GLU 65 -16.592 2.485 -12.100 519 HB3 GLU 65 3HB GLU 65 -16.105 2.364 -13.784 520 HG2 GLU 65 2HG GLU 65 -15.393 4.679 -13.785 521 HG3 GLU 65 3HG GLU 65 -15.984 4.887 -12.138 522 H HIS 66 H HIS 66 -18.826 2.871 -15.804 523 HA HIS 66 HA HIS 66 -17.625 5.054 -17.248 524 HB2 HIS 66 2HB HIS 66 -17.916 2.813 -18.269 525 HB3 HIS 66 3HB HIS 66 -19.663 3.002 -18.159 526 HD1 HIS 66 HD1 HIS 66 -20.784 4.055 -20.117 527 HD2 HIS 66 HD2 HIS 66 -16.692 4.786 -20.077 528 HE1 HIS 66 HE1 HIS 66 -20.285 5.209 -22.289 529 HE2 HIS 66 HE2 HIS 66 -17.788 5.528 -22.296 530 H HIS 67 H HIS 67 -18.533 6.960 -17.745 531 HA HIS 67 HA HIS 67 -19.965 8.705 -17.848 532 HB2 HIS 67 2HB HIS 67 -21.478 7.149 -19.082 533 HB3 HIS 67 3HB HIS 67 -22.226 6.717 -17.547 534 HD1 HIS 67 HD1 HIS 67 -24.104 8.173 -16.768 535 HD2 HIS 67 HD2 HIS 67 -21.870 9.964 -19.781 536 HE1 HIS 67 HE1 HIS 67 -25.337 10.274 -17.362 537 HE2 HIS 67 HE2 HIS 67 -23.853 11.437 -19.021 538 H HIS 68 H HIS 68 -21.095 6.365 -15.371 539 HA HIS 68 HA HIS 68 -21.938 8.298 -13.495 540 HB2 HIS 68 2HB HIS 68 -22.605 5.932 -13.346 541 HB3 HIS 68 3HB HIS 68 -20.938 5.473 -13.012 542 HD1 HIS 68 HD1 HIS 68 -20.298 5.354 -10.612 543 HD2 HIS 68 HD2 HIS 68 -23.742 7.609 -11.189 544 HE1 HIS 68 HE1 HIS 68 -21.127 5.909 -8.317 545 HE2 HIS 68 HE2 HIS 68 -23.326 7.062 -8.695 546 H HIS 69 H HIS 69 -20.378 9.926 -13.345 547 HA HIS 69 HA HIS 69 -17.610 9.361 -12.843 548 HB2 HIS 69 2HB HIS 69 -17.348 11.803 -12.662 549 HB3 HIS 69 3HB HIS 69 -18.268 11.357 -14.094 550 HD1 HIS 69 HD1 HIS 69 -20.705 12.155 -14.230 551 HD2 HIS 69 HD2 HIS 69 -18.816 13.174 -10.671 552 HE1 HIS 69 HE1 HIS 69 -22.229 13.798 -13.103 553 HE2 HIS 69 HE2 HIS 69 -20.998 14.505 -11.030 554 H HIS 70 H HIS 70 -16.484 9.333 -10.964 555 HA HIS 70 HA HIS 70 -17.976 9.401 -8.463 556 HB2 HIS 70 2HB HIS 70 -15.699 8.721 -7.491 557 HB3 HIS 70 3HB HIS 70 -16.493 7.576 -8.563 558 HD1 HIS 70 HD1 HIS 70 -15.291 6.934 -10.692 559 HD2 HIS 70 HD2 HIS 70 -13.397 10.012 -8.638 560 HE1 HIS 70 HE1 HIS 70 -13.068 7.223 -11.817 561 HE2 HIS 70 HE2 HIS 70 -12.029 9.211 -10.685 562 H HIS 71 H HIS 71 -16.152 11.565 -10.317 563 HA HIS 71 HA HIS 71 -16.228 13.523 -8.131 564 HB2 HIS 71 2HB HIS 71 -13.918 12.700 -8.168 565 HB3 HIS 71 3HB HIS 71 -13.800 13.047 -9.890 566 HD1 HIS 71 HD1 HIS 71 -13.945 14.763 -6.542 567 HD2 HIS 71 HD2 HIS 71 -13.210 15.691 -10.528 568 HE1 HIS 71 HE1 HIS 71 -13.042 17.103 -6.528 569 HE2 HIS 71 HE2 HIS 71 -12.591 17.647 -8.945 Start of MODEL 5 1 H1 MET 1 1H MET 1 -30.641 -20.381 -14.398 2 H2 MET 1 2H MET 1 -31.728 -19.100 -14.205 3 H3 MET 1 3H MET 1 -31.221 -19.989 -12.859 4 HA MET 1 HA MET 1 -29.449 -18.335 -14.561 5 HB2 MET 1 2HB MET 1 -29.403 -16.739 -12.709 6 HB3 MET 1 3HB MET 1 -31.046 -16.959 -13.291 7 HG2 MET 1 2HG MET 1 -31.533 -18.428 -11.403 8 HG3 MET 1 3HG MET 1 -29.878 -18.248 -10.825 9 HE1 MET 1 3HE MET 1 -29.429 -15.067 -11.485 10 HE2 MET 1 1HE MET 1 -28.858 -15.907 -10.040 11 HE3 MET 1 2HE MET 1 -29.797 -14.425 -9.884 12 HA PRO 2 HA PRO 2 -26.073 -20.441 -12.476 13 HB2 PRO 2 2HB PRO 2 -24.661 -17.836 -12.384 14 HB3 PRO 2 3HB PRO 2 -24.189 -19.343 -13.175 15 HG2 PRO 2 2HG PRO 2 -25.012 -17.229 -14.599 16 HG3 PRO 2 3HG PRO 2 -25.433 -18.885 -15.081 17 HD2 PRO 2 2HD PRO 2 -27.112 -16.843 -13.655 18 HD3 PRO 2 3HD PRO 2 -27.557 -17.944 -14.979 19 H THR 3 H THR 3 -25.723 -20.917 -10.361 20 HA THR 3 HA THR 3 -26.708 -19.103 -8.289 21 HB THR 3 HB THR 3 -26.315 -20.936 -6.724 22 HG1 THR 3 HG1 THR 3 -25.610 -22.978 -8.162 23 HG21 THR 3 3HG2 THR 3 -27.805 -22.642 -7.683 24 HG22 THR 3 1HG2 THR 3 -27.579 -21.947 -9.287 25 HG23 THR 3 2HG2 THR 3 -28.395 -21.017 -8.031 26 H LYS 4 H LYS 4 -24.137 -18.723 -9.907 27 HA LYS 4 HA LYS 4 -21.864 -19.216 -8.358 28 HB2 LYS 4 2HB LYS 4 -21.970 -18.638 -10.815 29 HB3 LYS 4 3HB LYS 4 -22.217 -16.963 -10.344 30 HG2 LYS 4 2HG LYS 4 -19.904 -17.307 -10.907 31 HG3 LYS 4 3HG LYS 4 -20.038 -17.006 -9.172 32 HD2 LYS 4 2HD LYS 4 -19.876 -19.402 -8.730 33 HD3 LYS 4 3HD LYS 4 -19.788 -19.729 -10.462 34 HE2 LYS 4 2HE LYS 4 -17.692 -18.423 -10.566 35 HE3 LYS 4 3HE LYS 4 -17.775 -18.188 -8.819 36 HZ1 LYS 4 3HZ LYS 4 -17.628 -20.829 -10.167 37 HZ2 LYS 4 1HZ LYS 4 -17.601 -20.553 -8.497 38 HZ3 LYS 4 2HZ LYS 4 -16.315 -20.033 -9.464 39 HA PRO 5 HA PRO 5 -22.455 -15.782 -5.434 40 HB2 PRO 5 2HB PRO 5 -21.188 -16.877 -3.357 41 HB3 PRO 5 3HB PRO 5 -22.756 -17.504 -3.884 42 HG2 PRO 5 2HG PRO 5 -20.013 -18.605 -4.366 43 HG3 PRO 5 3HG PRO 5 -21.519 -19.467 -3.997 44 HD2 PRO 5 2HD PRO 5 -20.419 -19.106 -6.551 45 HD3 PRO 5 3HD PRO 5 -22.090 -19.588 -6.202 46 HA PRO 6 HA PRO 6 -18.461 -13.697 -5.801 47 HB2 PRO 6 2HB PRO 6 -19.084 -12.313 -3.270 48 HB3 PRO 6 3HB PRO 6 -18.867 -11.641 -4.888 49 HG2 PRO 6 2HG PRO 6 -21.287 -11.741 -3.723 50 HG3 PRO 6 3HG PRO 6 -21.083 -11.974 -5.471 51 HD2 PRO 6 2HD PRO 6 -21.473 -14.037 -3.317 52 HD3 PRO 6 3HD PRO 6 -22.226 -13.934 -4.925 53 H TYR 7 H TYR 7 -16.378 -13.730 -4.877 54 HA TYR 7 HA TYR 7 -16.076 -15.424 -2.480 55 HB2 TYR 7 2HB TYR 7 -13.929 -16.172 -3.367 56 HB3 TYR 7 3HB TYR 7 -15.217 -16.497 -4.517 57 HD1 TYR 7 HD2 TYR 7 -15.509 -14.840 -6.470 58 HD2 TYR 7 HD1 TYR 7 -12.018 -14.981 -4.033 59 HE1 TYR 7 HE2 TYR 7 -14.238 -13.690 -8.232 60 HE2 TYR 7 HE1 TYR 7 -10.740 -13.831 -5.789 61 HH TYR 7 HH TYR 7 -10.925 -13.570 -8.330 62 HA PRO 8 HA PRO 8 -14.264 -12.128 -0.207 63 HB2 PRO 8 2HB PRO 8 -12.235 -14.081 0.771 64 HB3 PRO 8 3HB PRO 8 -13.362 -13.069 1.684 65 HG2 PRO 8 2HG PRO 8 -13.807 -15.680 1.430 66 HG3 PRO 8 3HG PRO 8 -15.150 -14.522 1.345 67 HD2 PRO 8 2HD PRO 8 -13.735 -15.955 -0.884 68 HD3 PRO 8 3HD PRO 8 -15.473 -15.641 -0.671 69 H ARG 9 H ARG 9 -13.076 -10.543 -1.064 70 HA ARG 9 HA ARG 9 -10.267 -11.064 -1.729 71 HB2 ARG 9 2HB ARG 9 -10.802 -9.195 -3.633 72 HB3 ARG 9 3HB ARG 9 -10.767 -10.925 -3.928 73 HG2 ARG 9 2HG ARG 9 -12.714 -9.934 -4.957 74 HG3 ARG 9 3HG ARG 9 -13.200 -11.021 -3.661 75 HD2 ARG 9 2HD ARG 9 -14.553 -9.012 -3.612 76 HD3 ARG 9 3HD ARG 9 -13.533 -9.082 -2.178 77 HE ARG 9 HE ARG 9 -12.079 -7.431 -3.289 78 HH11 ARG 9 1HH1 ARG 9 -15.318 -7.776 -4.390 79 HH12 ARG 9 2HH1 ARG 9 -15.402 -6.171 -5.016 80 HH21 ARG 9 1HH2 ARG 9 -12.213 -5.340 -4.097 81 HH22 ARG 9 2HH2 ARG 9 -13.683 -4.808 -4.832 82 H GLU 10 H GLU 10 -9.862 -10.131 0.321 83 HA GLU 10 HA GLU 10 -10.632 -7.371 0.817 84 HB2 GLU 10 2HB GLU 10 -8.889 -9.155 2.532 85 HB3 GLU 10 3HB GLU 10 -9.726 -7.691 3.023 86 HG2 GLU 10 2HG GLU 10 -11.015 -10.296 2.228 87 HG3 GLU 10 3HG GLU 10 -10.841 -9.677 3.869 88 H ALA 11 H ALA 11 -8.991 -5.796 1.584 89 HA ALA 11 HA ALA 11 -6.303 -6.186 0.424 90 HB1 ALA 11 3HB ALA 11 -7.615 -4.782 -1.089 91 HB2 ALA 11 1HB ALA 11 -6.294 -3.872 -0.356 92 HB3 ALA 11 2HB ALA 11 -7.944 -3.661 0.232 93 H TYR 12 H TYR 12 -4.612 -4.889 1.392 94 HA TYR 12 HA TYR 12 -5.213 -3.483 3.871 95 HB2 TYR 12 2HB TYR 12 -3.642 -4.789 5.223 96 HB3 TYR 12 3HB TYR 12 -4.959 -5.792 4.631 97 HD1 TYR 12 HD1 TYR 12 -4.538 -7.524 2.932 98 HD2 TYR 12 HD2 TYR 12 -1.362 -5.155 4.488 99 HE1 TYR 12 HE1 TYR 12 -2.907 -9.135 2.040 100 HE2 TYR 12 HE2 TYR 12 0.274 -6.756 3.602 101 HH TYR 12 HH TYR 12 -0.509 -9.158 1.367 102 H ILE 13 H ILE 13 -3.083 -2.613 4.875 103 HA ILE 13 HA ILE 13 -1.489 -1.505 2.642 104 HB ILE 13 HB ILE 13 -2.175 -0.213 5.293 105 HG12 ILE 13 2HG1 ILE 13 -3.168 0.433 2.497 106 HG13 ILE 13 3HG1 ILE 13 -4.100 -0.425 3.720 107 HG21 ILE 13 1HG2 ILE 13 -1.166 1.810 4.348 108 HG22 ILE 13 2HG2 ILE 13 -0.718 0.915 2.896 109 HG23 ILE 13 3HG2 ILE 13 0.008 0.498 4.447 110 HD11 ILE 13 3HD1 ILE 13 -3.109 2.410 3.917 111 HD12 ILE 13 1HD1 ILE 13 -4.038 1.554 5.147 112 HD13 ILE 13 2HD1 ILE 13 -4.761 1.898 3.575 113 H VAL 14 H VAL 14 0.660 -1.779 2.662 114 HA VAL 14 HA VAL 14 1.982 -2.709 5.142 115 HB VAL 14 HB VAL 14 2.874 -3.087 2.269 116 HG11 VAL 14 1HG1 VAL 14 4.781 -2.948 3.775 117 HG12 VAL 14 2HG1 VAL 14 4.567 -4.609 3.218 118 HG13 VAL 14 3HG1 VAL 14 4.053 -4.152 4.842 119 HG21 VAL 14 3HG2 VAL 14 1.689 -5.067 4.221 120 HG22 VAL 14 1HG2 VAL 14 2.335 -5.462 2.625 121 HG23 VAL 14 2HG2 VAL 14 0.909 -4.433 2.770 122 H THR 15 H THR 15 3.410 -1.340 6.085 123 HA THR 15 HA THR 15 4.134 1.124 4.681 124 HB THR 15 HB THR 15 5.065 1.854 6.868 125 HG1 THR 15 HG1 THR 15 5.555 -0.319 7.633 126 HG21 THR 15 3HG2 THR 15 2.919 2.033 8.049 127 HG22 THR 15 1HG2 THR 15 2.239 0.781 7.007 128 HG23 THR 15 2HG2 THR 15 2.724 2.331 6.319 129 H ILE 16 H ILE 16 5.918 1.097 3.437 130 HA ILE 16 HA ILE 16 8.325 -0.297 4.458 131 HB ILE 16 HB ILE 16 9.125 -0.536 2.192 132 HG12 ILE 16 2HG1 ILE 16 6.564 0.819 1.289 133 HG13 ILE 16 3HG1 ILE 16 8.156 1.572 1.286 134 HG21 ILE 16 1HG2 ILE 16 7.451 -2.093 1.296 135 HG22 ILE 16 2HG2 ILE 16 6.249 -1.439 2.411 136 HG23 ILE 16 3HG2 ILE 16 7.662 -2.292 3.037 137 HD11 ILE 16 3HD1 ILE 16 8.939 -0.080 -0.331 138 HD12 ILE 16 1HD1 ILE 16 7.535 0.806 -0.929 139 HD13 ILE 16 2HD1 ILE 16 7.345 -0.839 -0.322 140 H GLU 17 H GLU 17 10.419 0.749 3.948 141 HA GLU 17 HA GLU 17 10.171 3.680 3.621 142 HB2 GLU 17 2HB GLU 17 12.039 2.195 5.482 143 HB3 GLU 17 3HB GLU 17 12.126 3.922 5.151 144 HG2 GLU 17 2HG GLU 17 9.766 4.099 6.007 145 HG3 GLU 17 3HG GLU 17 9.904 2.420 6.522 146 H LYS 18 H LYS 18 11.214 4.452 1.937 147 HA LYS 18 HA LYS 18 13.464 2.904 0.790 148 HB2 LYS 18 2HB LYS 18 11.526 4.677 -0.719 149 HB3 LYS 18 3HB LYS 18 12.753 3.622 -1.410 150 HG2 LYS 18 2HG LYS 18 11.552 1.657 -0.639 151 HG3 LYS 18 3HG LYS 18 10.361 2.670 0.173 152 HD2 LYS 18 2HD LYS 18 9.259 2.128 -1.789 153 HD3 LYS 18 3HD LYS 18 9.982 3.681 -2.202 154 HE2 LYS 18 2HE LYS 18 11.087 0.963 -2.920 155 HE3 LYS 18 3HE LYS 18 10.232 2.049 -4.010 156 HZ1 LYS 18 3HZ LYS 18 12.871 2.531 -2.736 157 HZ2 LYS 18 1HZ LYS 18 12.033 3.680 -3.655 158 HZ3 LYS 18 2HZ LYS 18 12.570 2.246 -4.374 159 H GLY 19 H GLY 19 14.820 4.428 -0.748 160 HA2 GLY 19 2HA GLY 19 15.675 6.619 -1.165 161 HA3 GLY 19 3HA GLY 19 15.003 7.147 0.368 162 H LYS 20 H LYS 20 16.701 7.877 1.494 163 HA LYS 20 HA LYS 20 19.275 6.478 1.347 164 HB2 LYS 20 2HB LYS 20 18.553 9.211 2.458 165 HB3 LYS 20 3HB LYS 20 20.174 8.537 2.449 166 HG2 LYS 20 2HG LYS 20 20.023 10.062 0.630 167 HG3 LYS 20 3HG LYS 20 20.041 8.438 -0.054 168 HD2 LYS 20 2HD LYS 20 17.587 8.531 -0.290 169 HD3 LYS 20 3HD LYS 20 17.594 10.169 0.361 170 HE2 LYS 20 2HE LYS 20 19.028 9.300 -2.152 171 HE3 LYS 20 3HE LYS 20 17.453 10.087 -2.117 172 HZ1 LYS 20 3HZ LYS 20 19.203 11.667 -2.559 173 HZ2 LYS 20 1HZ LYS 20 19.996 11.250 -1.122 174 HZ3 LYS 20 2HZ LYS 20 18.484 12.002 -1.070 175 HA PRO 21 HA PRO 21 19.186 4.769 5.496 176 HB2 PRO 21 2HB PRO 21 21.855 6.058 5.876 177 HB3 PRO 21 3HB PRO 21 21.376 4.372 6.111 178 HG2 PRO 21 2HG PRO 21 22.804 5.074 3.983 179 HG3 PRO 21 3HG PRO 21 21.494 3.884 3.837 180 HD2 PRO 21 2HD PRO 21 21.524 6.778 3.050 181 HD3 PRO 21 3HD PRO 21 20.797 5.389 2.213 182 H GLY 22 H GLY 22 18.063 5.596 7.178 183 HA2 GLY 22 2HA GLY 22 17.491 7.030 8.918 184 HA3 GLY 22 3HA GLY 22 18.838 8.066 8.474 185 H GLN 23 H GLN 23 18.434 9.091 6.145 186 HA GLN 23 HA GLN 23 15.981 10.608 6.339 187 HB2 GLN 23 2HB GLN 23 18.146 10.693 4.221 188 HB3 GLN 23 3HB GLN 23 16.836 11.855 4.394 189 HG2 GLN 23 2HG GLN 23 19.038 11.351 6.392 190 HG3 GLN 23 3HG GLN 23 18.919 12.727 5.300 191 HE21 GLN 23 1HE2 GLN 23 16.033 13.006 5.665 192 HE22 GLN 23 2HE2 GLN 23 15.813 13.677 7.237 193 H THR 24 H THR 24 14.597 8.713 6.095 194 HA THR 24 HA THR 24 14.475 7.533 3.404 195 HB THR 24 HB THR 24 12.990 5.841 4.390 196 HG1 THR 24 HG1 THR 24 12.616 5.900 6.661 197 HG21 THR 24 3HG2 THR 24 15.505 6.282 6.011 198 HG22 THR 24 1HG2 THR 24 15.404 5.449 4.460 199 HG23 THR 24 2HG2 THR 24 14.614 4.766 5.881 200 H VAL 25 H VAL 25 12.335 7.063 2.511 201 HA VAL 25 HA VAL 25 10.235 9.006 3.263 202 HB VAL 25 HB VAL 25 10.658 7.711 0.550 203 HG11 VAL 25 1HG1 VAL 25 8.307 8.180 1.035 204 HG12 VAL 25 2HG1 VAL 25 8.919 9.241 -0.234 205 HG13 VAL 25 3HG1 VAL 25 8.709 9.857 1.406 206 HG21 VAL 25 3HG2 VAL 25 12.408 9.360 1.034 207 HG22 VAL 25 1HG2 VAL 25 11.173 10.569 1.391 208 HG23 VAL 25 2HG2 VAL 25 11.330 9.923 -0.243 209 H THR 26 H THR 26 8.410 8.115 4.050 210 HA THR 26 HA THR 26 8.167 5.236 4.195 211 HB THR 26 HB THR 26 6.227 7.338 5.202 212 HG1 THR 26 HG1 THR 26 8.248 7.567 6.217 213 HG21 THR 26 3HG2 THR 26 6.550 4.415 5.925 214 HG22 THR 26 1HG2 THR 26 5.214 5.110 5.004 215 HG23 THR 26 2HG2 THR 26 5.440 5.545 6.700 216 H TRP 27 H TRP 27 7.314 4.098 2.595 217 HA TRP 27 HA TRP 27 5.203 5.297 0.918 218 HB2 TRP 27 2HB TRP 27 7.201 3.098 0.338 219 HB3 TRP 27 3HB TRP 27 5.857 3.485 -0.731 220 HD1 TRP 27 HD1 TRP 27 9.254 4.796 0.415 221 HE1 TRP 27 HE1 TRP 27 9.975 6.703 -1.156 222 HE3 TRP 27 HE3 TRP 27 4.918 5.357 -2.236 223 HZ2 TRP 27 HZ2 TRP 27 8.859 8.251 -3.228 224 HZ3 TRP 27 HZ3 TRP 27 4.823 7.079 -3.994 225 HH2 TRP 27 HH2 TRP 27 6.756 8.493 -4.474 226 H TYR 28 H TYR 28 3.225 4.432 0.919 227 HA TYR 28 HA TYR 28 2.735 2.056 2.569 228 HB2 TYR 28 2HB TYR 28 0.792 4.093 1.444 229 HB3 TYR 28 3HB TYR 28 0.383 2.789 2.551 230 HD1 TYR 28 HD2 TYR 28 2.392 5.910 2.258 231 HD2 TYR 28 HD1 TYR 28 0.576 3.094 4.890 232 HE1 TYR 28 HE2 TYR 28 2.860 7.394 4.159 233 HE2 TYR 28 HE1 TYR 28 1.042 4.572 6.797 234 HH TYR 28 HH TYR 28 2.569 6.385 7.400 235 H GLN 29 H GLN 29 2.647 0.169 1.527 236 HA GLN 29 HA GLN 29 1.973 0.021 -1.297 237 HB2 GLN 29 2HB GLN 29 2.808 -2.145 0.645 238 HB3 GLN 29 3HB GLN 29 2.570 -2.371 -1.081 239 HG2 GLN 29 2HG GLN 29 4.362 -0.599 -1.408 240 HG3 GLN 29 3HG GLN 29 4.710 -0.790 0.310 241 HE21 GLN 29 1HE2 GLN 29 6.365 -1.384 -2.034 242 HE22 GLN 29 2HE2 GLN 29 6.790 -3.052 -1.902 243 H LEU 30 H LEU 30 -0.090 -0.163 -1.905 244 HA LEU 30 HA LEU 30 -2.091 -1.354 -0.196 245 HB2 LEU 30 2HB LEU 30 -2.715 0.503 -1.645 246 HB3 LEU 30 3HB LEU 30 -2.216 -0.397 -3.064 247 HG LEU 30 HG LEU 30 -4.023 -2.026 -2.682 248 HD11 LEU 30 1HD1 LEU 30 -5.761 -1.581 -1.018 249 HD12 LEU 30 2HD1 LEU 30 -4.814 -0.233 -0.386 250 HD13 LEU 30 3HD1 LEU 30 -4.196 -1.881 -0.265 251 HD21 LEU 30 3HD2 LEU 30 -4.969 0.840 -2.752 252 HD22 LEU 30 1HD2 LEU 30 -5.904 -0.569 -3.259 253 HD23 LEU 30 2HD2 LEU 30 -4.440 -0.119 -4.137 254 H ARG 31 H ARG 31 -1.879 -3.502 0.098 255 HA ARG 31 HA ARG 31 -1.566 -5.231 -2.286 256 HB2 ARG 31 2HB ARG 31 -0.791 -5.739 0.599 257 HB3 ARG 31 3HB ARG 31 -0.744 -6.964 -0.664 258 HG2 ARG 31 2HG ARG 31 0.896 -5.595 -1.900 259 HG3 ARG 31 3HG ARG 31 0.878 -4.419 -0.584 260 HD2 ARG 31 2HD ARG 31 1.791 -6.009 0.947 261 HD3 ARG 31 3HD ARG 31 1.583 -7.326 -0.208 262 HE ARG 31 HE ARG 31 3.375 -5.113 -0.902 263 HH11 ARG 31 1HH1 ARG 31 2.973 -8.378 0.110 264 HH12 ARG 31 2HH1 ARG 31 4.529 -8.870 -0.470 265 HH21 ARG 31 1HH2 ARG 31 5.397 -5.728 -1.587 266 HH22 ARG 31 2HH2 ARG 31 5.903 -7.368 -1.374 267 H ALA 32 H ALA 32 -2.583 -7.481 -1.884 268 HA ALA 32 HA ALA 32 -5.182 -7.159 -0.519 269 HB1 ALA 32 3HB ALA 32 -5.468 -6.922 -2.927 270 HB2 ALA 32 1HB ALA 32 -6.244 -8.394 -2.341 271 HB3 ALA 32 2HB ALA 32 -4.697 -8.487 -3.184 272 H ASP 33 H ASP 33 -6.105 -8.996 0.411 273 HA ASP 33 HA ASP 33 -4.333 -11.043 1.314 274 HB2 ASP 33 2HB ASP 33 -7.349 -10.821 1.463 275 HB3 ASP 33 3HB ASP 33 -6.390 -12.016 2.326 276 H HIS 34 H HIS 34 -6.463 -10.740 -1.400 277 HA HIS 34 HA HIS 34 -5.850 -13.501 -2.216 278 HB2 HIS 34 2HB HIS 34 -8.563 -12.160 -2.455 279 HB3 HIS 34 3HB HIS 34 -8.142 -13.722 -3.152 280 HD1 HIS 34 HD1 HIS 34 -8.169 -15.745 -1.618 281 HD2 HIS 34 HD2 HIS 34 -8.814 -12.169 0.399 282 HE1 HIS 34 HE1 HIS 34 -8.859 -16.396 0.701 283 HE2 HIS 34 HE2 HIS 34 -9.309 -14.226 1.886 284 HA PRO 35 HA PRO 35 -6.141 -14.770 -4.008 285 HB2 PRO 35 2HB PRO 35 -4.088 -15.182 -6.026 286 HB3 PRO 35 3HB PRO 35 -5.785 -15.662 -6.061 287 HG2 PRO 35 2HG PRO 35 -4.742 -13.732 -7.686 288 HG3 PRO 35 3HG PRO 35 -6.436 -13.748 -7.159 289 HD2 PRO 35 2HD PRO 35 -4.130 -12.153 -6.075 290 HD3 PRO 35 3HD PRO 35 -5.800 -11.638 -6.401 291 H LYS 36 H LYS 36 -3.189 -12.845 -4.255 292 HA LYS 36 HA LYS 36 -1.860 -14.707 -2.376 293 HB2 LYS 36 2HB LYS 36 -0.579 -13.150 -4.636 294 HB3 LYS 36 3HB LYS 36 0.286 -14.141 -3.470 295 HG2 LYS 36 2HG LYS 36 -1.748 -15.133 -5.468 296 HG3 LYS 36 3HG LYS 36 0.004 -15.281 -5.612 297 HD2 LYS 36 2HD LYS 36 -1.700 -16.511 -3.439 298 HD3 LYS 36 3HD LYS 36 -1.030 -17.367 -4.829 299 HE2 LYS 36 2HE LYS 36 0.539 -16.019 -2.626 300 HE3 LYS 36 3HE LYS 36 0.332 -17.755 -2.848 301 HZ1 LYS 36 3HZ LYS 36 1.502 -17.571 -4.971 302 HZ2 LYS 36 1HZ LYS 36 2.464 -17.040 -3.684 303 HZ3 LYS 36 2HZ LYS 36 1.737 -15.913 -4.708 304 HA PRO 37 HA PRO 37 -1.343 -11.265 0.421 305 HB2 PRO 37 2HB PRO 37 1.350 -12.460 0.926 306 HB3 PRO 37 3HB PRO 37 0.080 -12.021 2.076 307 HG2 PRO 37 2HG PRO 37 0.504 -14.573 1.462 308 HG3 PRO 37 3HG PRO 37 -1.149 -13.957 1.656 309 HD2 PRO 37 2HD PRO 37 0.366 -14.568 -0.857 310 HD3 PRO 37 3HD PRO 37 -1.345 -14.857 -0.471 311 H ASP 38 H ASP 38 1.156 -12.049 -1.945 312 HA ASP 38 HA ASP 38 2.349 -9.389 -1.704 313 HB2 ASP 38 2HB ASP 38 3.130 -11.798 -3.356 314 HB3 ASP 38 3HB ASP 38 3.979 -10.257 -3.402 315 H SER 39 H SER 39 -0.392 -10.257 -3.082 316 HA SER 39 HA SER 39 -0.143 -9.276 -5.745 317 HB2 SER 39 2HB SER 39 -2.573 -9.444 -3.938 318 HB3 SER 39 3HB SER 39 -2.636 -9.001 -5.643 319 HG SER 39 HG SER 39 -1.821 -11.054 -6.157 320 H LEU 40 H LEU 40 1.131 -7.401 -5.530 321 HA LEU 40 HA LEU 40 0.206 -5.165 -3.948 322 HB2 LEU 40 2HB LEU 40 2.579 -5.613 -4.095 323 HB3 LEU 40 3HB LEU 40 2.538 -5.484 -5.842 324 HG LEU 40 HG LEU 40 2.025 -3.086 -5.670 325 HD11 LEU 40 1HD1 LEU 40 2.140 -1.943 -3.507 326 HD12 LEU 40 2HD1 LEU 40 2.283 -3.502 -2.689 327 HD13 LEU 40 3HD1 LEU 40 0.804 -3.092 -3.562 328 HD21 LEU 40 3HD2 LEU 40 4.361 -3.799 -5.808 329 HD22 LEU 40 1HD2 LEU 40 4.439 -3.902 -4.048 330 HD23 LEU 40 2HD2 LEU 40 4.197 -2.340 -4.830 331 H ILE 41 H ILE 41 -1.178 -3.677 -4.611 332 HA ILE 41 HA ILE 41 -1.950 -3.477 -7.405 333 HB ILE 41 HB ILE 41 -3.018 -1.969 -5.005 334 HG12 ILE 41 2HG1 ILE 41 -3.366 -4.380 -4.751 335 HG13 ILE 41 3HG1 ILE 41 -4.896 -3.573 -5.076 336 HG21 ILE 41 1HG2 ILE 41 -3.486 -0.807 -7.086 337 HG22 ILE 41 2HG2 ILE 41 -4.968 -1.514 -6.443 338 HG23 ILE 41 3HG2 ILE 41 -4.136 -2.287 -7.793 339 HD11 ILE 41 3HD1 ILE 41 -4.728 -5.665 -6.285 340 HD12 ILE 41 1HD1 ILE 41 -3.248 -5.117 -7.071 341 HD13 ILE 41 2HD1 ILE 41 -4.780 -4.305 -7.407 342 H SER 42 H SER 42 -0.677 -1.265 -4.894 343 HA SER 42 HA SER 42 0.936 0.223 -6.699 344 HB2 SER 42 2HB SER 42 -1.134 1.139 -7.541 345 HB3 SER 42 3HB SER 42 -1.716 1.460 -5.909 346 HG SER 42 HG SER 42 0.321 2.778 -7.362 347 H GLU 43 H GLU 43 2.296 1.705 -5.640 348 HA GLU 43 HA GLU 43 2.055 1.813 -2.704 349 HB2 GLU 43 2HB GLU 43 4.450 2.531 -4.416 350 HB3 GLU 43 3HB GLU 43 4.409 2.454 -2.661 351 HG2 GLU 43 2HG GLU 43 5.255 0.401 -2.942 352 HG3 GLU 43 3HG GLU 43 3.593 -0.060 -3.300 353 H HIS 44 H HIS 44 1.746 3.705 -1.636 354 HA HIS 44 HA HIS 44 1.756 6.214 -3.197 355 HB2 HIS 44 2HB HIS 44 -0.378 5.233 -1.288 356 HB3 HIS 44 3HB HIS 44 -0.283 6.888 -1.881 357 HD1 HIS 44 HD1 HIS 44 -1.545 7.345 -3.974 358 HD2 HIS 44 HD2 HIS 44 -0.691 3.302 -3.527 359 HE1 HIS 44 HE1 HIS 44 -2.686 6.202 -5.888 360 HE2 HIS 44 HE2 HIS 44 -1.928 3.812 -5.737 361 HA PRO 45 HA PRO 45 4.328 7.728 0.013 362 HB2 PRO 45 2HB PRO 45 4.028 10.406 -0.266 363 HB3 PRO 45 3HB PRO 45 4.856 9.408 -1.469 364 HG2 PRO 45 2HG PRO 45 2.029 10.423 -1.476 365 HG3 PRO 45 3HG PRO 45 3.216 10.417 -2.795 366 HD2 PRO 45 2HD PRO 45 1.256 8.553 -2.588 367 HD3 PRO 45 3HD PRO 45 2.849 8.183 -3.285 368 H THR 46 H THR 46 0.937 8.759 0.153 369 HA THR 46 HA THR 46 1.321 9.435 3.009 370 HB THR 46 HB THR 46 -0.555 10.922 2.931 371 HG1 THR 46 HG1 THR 46 -1.699 11.202 0.878 372 HG21 THR 46 3HG2 THR 46 1.108 11.374 0.445 373 HG22 THR 46 1HG2 THR 46 1.558 11.855 2.081 374 HG23 THR 46 2HG2 THR 46 0.163 12.596 1.296 375 H ALA 47 H ALA 47 -0.210 8.737 4.530 376 HA ALA 47 HA ALA 47 -1.303 6.176 4.216 377 HB1 ALA 47 3HB ALA 47 -2.399 6.550 6.363 378 HB2 ALA 47 1HB ALA 47 -2.077 8.280 6.239 379 HB3 ALA 47 2HB ALA 47 -0.738 7.143 6.396 380 H GLN 48 H GLN 48 -2.834 9.372 3.917 381 HA GLN 48 HA GLN 48 -5.491 8.497 3.609 382 HB2 GLN 48 2HB GLN 48 -4.881 10.847 4.027 383 HB3 GLN 48 3HB GLN 48 -4.160 10.947 2.427 384 HG2 GLN 48 2HG GLN 48 -6.367 11.985 2.482 385 HG3 GLN 48 3HG GLN 48 -6.332 10.603 1.391 386 HE21 GLN 48 1HE2 GLN 48 -7.471 8.728 1.954 387 HE22 GLN 48 2HE2 GLN 48 -8.662 8.717 3.206 388 H GLU 49 H GLU 49 -2.943 9.088 1.185 389 HA GLU 49 HA GLU 49 -4.336 8.436 -1.140 390 HB2 GLU 49 2HB GLU 49 -1.465 8.208 -0.298 391 HB3 GLU 49 3HB GLU 49 -1.966 7.520 -1.836 392 HG2 GLU 49 2HG GLU 49 -2.546 10.378 -1.129 393 HG3 GLU 49 3HG GLU 49 -1.008 9.881 -1.832 394 H ALA 50 H ALA 50 -2.584 6.283 1.083 395 HA ALA 50 HA ALA 50 -2.997 3.887 -0.343 396 HB1 ALA 50 3HB ALA 50 -2.370 2.757 1.737 397 HB2 ALA 50 1HB ALA 50 -2.558 4.272 2.620 398 HB3 ALA 50 2HB ALA 50 -1.298 4.115 1.393 399 H MET 51 H MET 51 -4.801 5.216 2.444 400 HA MET 51 HA MET 51 -6.702 3.134 2.601 401 HB2 MET 51 2HB MET 51 -6.811 6.008 3.531 402 HB3 MET 51 3HB MET 51 -8.077 4.840 3.879 403 HG2 MET 51 2HG MET 51 -5.193 4.581 4.706 404 HG3 MET 51 3HG MET 51 -6.514 5.109 5.746 405 HE1 MET 51 3HE MET 51 -8.558 3.513 6.460 406 HE2 MET 51 1HE MET 51 -8.727 1.848 5.898 407 HE3 MET 51 2HE MET 51 -8.874 3.181 4.755 408 H ASP 52 H ASP 52 -6.732 6.187 0.796 409 HA ASP 52 HA ASP 52 -9.417 6.061 -0.085 410 HB2 ASP 52 2HB ASP 52 -7.997 8.111 -0.167 411 HB3 ASP 52 3HB ASP 52 -7.069 7.385 -1.474 412 H ALA 53 H ALA 53 -6.390 5.096 -1.734 413 HA ALA 53 HA ALA 53 -7.594 3.917 -3.987 414 HB1 ALA 53 3HB ALA 53 -4.975 3.196 -2.672 415 HB2 ALA 53 1HB ALA 53 -5.211 4.470 -3.868 416 HB3 ALA 53 2HB ALA 53 -5.459 2.780 -4.317 417 H LYS 54 H LYS 54 -6.806 2.600 -0.810 418 HA LYS 54 HA LYS 54 -7.330 -0.105 -1.196 419 HB2 LYS 54 2HB LYS 54 -6.330 0.810 0.841 420 HB3 LYS 54 3HB LYS 54 -7.835 1.617 1.244 421 HG2 LYS 54 2HG LYS 54 -8.931 -0.503 1.609 422 HG3 LYS 54 3HG LYS 54 -7.492 -1.372 1.068 423 HD2 LYS 54 2HD LYS 54 -6.220 -0.500 2.949 424 HD3 LYS 54 3HD LYS 54 -7.598 0.470 3.467 425 HE2 LYS 54 2HE LYS 54 -7.579 -2.544 3.306 426 HE3 LYS 54 3HE LYS 54 -7.292 -1.618 4.778 427 HZ1 LYS 54 3HZ LYS 54 -9.596 -2.416 4.531 428 HZ2 LYS 54 1HZ LYS 54 -9.767 -1.449 3.159 429 HZ3 LYS 54 2HZ LYS 54 -9.496 -0.734 4.664 430 H LYS 55 H LYS 55 -9.596 2.468 -0.225 431 HA LYS 55 HA LYS 55 -11.934 0.934 -0.095 432 HB2 LYS 55 2HB LYS 55 -11.565 3.830 -0.889 433 HB3 LYS 55 3HB LYS 55 -13.119 3.091 -0.529 434 HG2 LYS 55 2HG LYS 55 -12.393 2.641 1.758 435 HG3 LYS 55 3HG LYS 55 -10.810 3.335 1.402 436 HD2 LYS 55 2HD LYS 55 -12.335 4.897 2.593 437 HD3 LYS 55 3HD LYS 55 -11.781 5.509 1.033 438 HE2 LYS 55 2HE LYS 55 -13.900 4.844 0.008 439 HE3 LYS 55 3HE LYS 55 -14.447 4.180 1.547 440 HZ1 LYS 55 3HZ LYS 55 -15.356 6.387 1.105 441 HZ2 LYS 55 1HZ LYS 55 -13.793 7.034 1.056 442 HZ3 LYS 55 2HZ LYS 55 -14.394 6.380 2.495 443 H ARG 56 H ARG 56 -10.466 2.626 -2.849 444 HA ARG 56 HA ARG 56 -12.516 2.150 -4.724 445 HB2 ARG 56 2HB ARG 56 -9.552 2.489 -5.259 446 HB3 ARG 56 3HB ARG 56 -10.847 2.701 -6.431 447 HG2 ARG 56 2HG ARG 56 -11.710 4.595 -5.153 448 HG3 ARG 56 3HG ARG 56 -10.436 4.374 -3.956 449 HD2 ARG 56 2HD ARG 56 -8.763 4.753 -5.781 450 HD3 ARG 56 3HD ARG 56 -10.103 5.142 -6.858 451 HE ARG 56 HE ARG 56 -9.436 6.683 -4.429 452 HH11 ARG 56 1HH1 ARG 56 -10.684 6.507 -7.634 453 HH12 ARG 56 2HH1 ARG 56 -10.845 8.222 -7.771 454 HH21 ARG 56 1HH2 ARG 56 -9.664 8.851 -4.608 455 HH22 ARG 56 2HH2 ARG 56 -10.255 9.543 -6.081 456 H TYR 57 H TYR 57 -9.787 0.177 -3.704 457 HA TYR 57 HA TYR 57 -10.153 -1.821 -5.738 458 HB2 TYR 57 2HB TYR 57 -7.949 -1.607 -4.798 459 HB3 TYR 57 3HB TYR 57 -8.562 -1.834 -3.162 460 HD1 TYR 57 HD1 TYR 57 -7.684 -3.532 -6.312 461 HD2 TYR 57 HD2 TYR 57 -9.142 -4.054 -2.345 462 HE1 TYR 57 HE1 TYR 57 -7.314 -5.958 -6.495 463 HE2 TYR 57 HE2 TYR 57 -8.779 -6.475 -2.520 464 HH TYR 57 HH TYR 57 -6.924 -7.890 -4.882 465 H GLU 58 H GLU 58 -11.099 -1.539 -2.316 466 HA GLU 58 HA GLU 58 -12.187 -4.213 -2.250 467 HB2 GLU 58 2HB GLU 58 -12.301 -1.973 -0.231 468 HB3 GLU 58 3HB GLU 58 -12.911 -3.599 0.053 469 HG2 GLU 58 2HG GLU 58 -10.618 -4.470 -0.353 470 HG3 GLU 58 3HG GLU 58 -10.051 -2.804 -0.476 471 H ASP 59 H ASP 59 -13.377 -1.569 -3.714 472 HA ASP 59 HA ASP 59 -16.072 -1.493 -2.924 473 HB2 ASP 59 2HB ASP 59 -14.733 0.054 -4.543 474 HB3 ASP 59 3HB ASP 59 -15.203 -1.101 -5.787 475 HA PRO 60 HA PRO 60 -17.762 -5.467 -3.594 476 HB2 PRO 60 2HB PRO 60 -19.813 -3.987 -5.217 477 HB3 PRO 60 3HB PRO 60 -20.044 -5.270 -4.022 478 HG2 PRO 60 2HG PRO 60 -20.419 -2.727 -3.342 479 HG3 PRO 60 3HG PRO 60 -19.631 -3.854 -2.221 480 HD2 PRO 60 2HD PRO 60 -18.454 -1.635 -3.807 481 HD3 PRO 60 3HD PRO 60 -17.904 -2.342 -2.275 482 H ASP 61 H ASP 61 -18.345 -3.685 -6.682 483 HA ASP 61 HA ASP 61 -16.799 -5.717 -8.104 484 HB2 ASP 61 2HB ASP 61 -18.713 -6.165 -9.675 485 HB3 ASP 61 3HB ASP 61 -18.929 -6.793 -8.045 486 H LYS 62 H LYS 62 -16.751 -2.704 -7.709 487 HA LYS 62 HA LYS 62 -17.428 -1.438 -10.146 488 HB2 LYS 62 2HB LYS 62 -17.055 -0.131 -8.151 489 HB3 LYS 62 3HB LYS 62 -15.393 -0.692 -8.037 490 HG2 LYS 62 2HG LYS 62 -14.803 0.511 -10.052 491 HG3 LYS 62 3HG LYS 62 -16.480 0.998 -10.292 492 HD2 LYS 62 2HD LYS 62 -14.996 1.709 -7.774 493 HD3 LYS 62 3HD LYS 62 -14.832 2.685 -9.231 494 HE2 LYS 62 2HE LYS 62 -16.535 3.590 -7.705 495 HE3 LYS 62 3HE LYS 62 -17.222 3.118 -9.255 496 HZ1 LYS 62 3HZ LYS 62 -18.149 1.179 -8.287 497 HZ2 LYS 62 1HZ LYS 62 -18.554 2.473 -7.281 498 HZ3 LYS 62 2HZ LYS 62 -17.321 1.409 -6.833 499 H GLU 63 H GLU 63 -16.360 -1.169 -12.038 500 HA GLU 63 HA GLU 63 -13.897 -2.720 -12.429 501 HB2 GLU 63 2HB GLU 63 -15.915 -1.645 -14.417 502 HB3 GLU 63 3HB GLU 63 -14.445 -2.503 -14.865 503 HG2 GLU 63 2HG GLU 63 -15.242 -4.483 -13.650 504 HG3 GLU 63 3HG GLU 63 -16.721 -3.621 -13.230 505 H LEU 64 H LEU 64 -12.154 -1.424 -11.994 506 HA LEU 64 HA LEU 64 -11.940 1.311 -12.758 507 HB2 LEU 64 2HB LEU 64 -9.751 -0.716 -12.231 508 HB3 LEU 64 3HB LEU 64 -9.517 1.020 -12.346 509 HG LEU 64 HG LEU 64 -11.129 -0.411 -10.216 510 HD11 LEU 64 1HD1 LEU 64 -8.497 1.054 -10.009 511 HD12 LEU 64 2HD1 LEU 64 -8.706 -0.697 -9.970 512 HD13 LEU 64 3HD1 LEU 64 -9.385 0.299 -8.684 513 HD21 LEU 64 3HD2 LEU 64 -10.520 2.533 -10.528 514 HD22 LEU 64 1HD2 LEU 64 -11.341 1.786 -9.157 515 HD23 LEU 64 2HD2 LEU 64 -12.097 1.772 -10.750 516 H GLU 65 H GLU 65 -11.392 -1.696 -14.371 517 HA GLU 65 HA GLU 65 -11.321 -0.300 -16.928 518 HB2 GLU 65 2HB GLU 65 -9.558 -1.832 -17.803 519 HB3 GLU 65 3HB GLU 65 -8.969 -0.733 -16.568 520 HG2 GLU 65 2HG GLU 65 -9.735 -3.597 -16.038 521 HG3 GLU 65 3HG GLU 65 -8.098 -3.062 -16.410 522 H HIS 66 H HIS 66 -11.764 -1.891 -18.752 523 HA HIS 66 HA HIS 66 -14.177 -3.232 -18.058 524 HB2 HIS 66 2HB HIS 66 -12.686 -3.306 -20.690 525 HB3 HIS 66 3HB HIS 66 -14.378 -3.722 -20.436 526 HD1 HIS 66 HD1 HIS 66 -12.312 -1.017 -21.508 527 HD2 HIS 66 HD2 HIS 66 -15.862 -1.318 -19.371 528 HE1 HIS 66 HE1 HIS 66 -13.372 1.249 -21.643 529 HE2 HIS 66 HE2 HIS 66 -15.392 1.099 -20.156 530 H HIS 67 H HIS 67 -14.395 -5.215 -17.265 531 HA HIS 67 HA HIS 67 -12.361 -7.097 -16.996 532 HB2 HIS 67 2HB HIS 67 -14.039 -8.664 -16.278 533 HB3 HIS 67 3HB HIS 67 -14.478 -7.074 -15.674 534 HD1 HIS 67 HD1 HIS 67 -16.694 -6.080 -16.493 535 HD2 HIS 67 HD2 HIS 67 -15.767 -9.715 -18.270 536 HE1 HIS 67 HE1 HIS 67 -18.785 -6.800 -17.667 537 HE2 HIS 67 HE2 HIS 67 -18.141 -8.898 -18.890 538 H HIS 68 H HIS 68 -11.691 -8.873 -18.142 539 HA HIS 68 HA HIS 68 -12.922 -9.392 -20.760 540 HB2 HIS 68 2HB HIS 68 -10.562 -9.486 -21.737 541 HB3 HIS 68 3HB HIS 68 -11.201 -7.886 -21.375 542 HD1 HIS 68 HD1 HIS 68 -10.149 -6.604 -19.367 543 HD2 HIS 68 HD2 HIS 68 -8.319 -10.240 -20.233 544 HE1 HIS 68 HE1 HIS 68 -7.971 -6.584 -18.119 545 HE2 HIS 68 HE2 HIS 68 -6.851 -8.751 -18.721 546 H HIS 69 H HIS 69 -12.468 -11.454 -21.663 547 HA HIS 69 HA HIS 69 -12.559 -13.513 -19.749 548 HB2 HIS 69 2HB HIS 69 -13.687 -13.675 -21.907 549 HB3 HIS 69 3HB HIS 69 -12.137 -13.691 -22.740 550 HD1 HIS 69 HD1 HIS 69 -11.254 -15.951 -23.275 551 HD2 HIS 69 HD2 HIS 69 -13.979 -16.044 -20.132 552 HE1 HIS 69 HE1 HIS 69 -11.568 -18.378 -22.726 553 HE2 HIS 69 HE2 HIS 69 -13.359 -18.414 -20.961 554 H HIS 70 H HIS 70 -10.064 -13.226 -22.337 555 HA HIS 70 HA HIS 70 -7.951 -13.935 -20.486 556 HB2 HIS 70 2HB HIS 70 -9.073 -16.115 -20.942 557 HB3 HIS 70 3HB HIS 70 -8.740 -15.905 -22.656 558 HD1 HIS 70 HD1 HIS 70 -6.264 -16.213 -23.430 559 HD2 HIS 70 HD2 HIS 70 -6.933 -16.993 -19.399 560 HE1 HIS 70 HE1 HIS 70 -4.216 -17.421 -22.626 561 HE2 HIS 70 HE2 HIS 70 -4.647 -17.905 -20.194 562 H HIS 71 H HIS 71 -5.831 -13.837 -21.437 563 HA HIS 71 HA HIS 71 -5.699 -13.008 -24.265 564 HB2 HIS 71 2HB HIS 71 -5.360 -10.992 -22.961 565 HB3 HIS 71 3HB HIS 71 -4.157 -11.794 -21.954 566 HD1 HIS 71 HD1 HIS 71 -4.619 -10.888 -25.623 567 HD2 HIS 71 HD2 HIS 71 -1.609 -11.364 -22.798 568 HE1 HIS 71 HE1 HIS 71 -2.488 -10.272 -26.801 569 HE2 HIS 71 HE2 HIS 71 -0.672 -10.658 -25.101 Start of MODEL 6 1 H1 MET 1 1H MET 1 -27.584 -23.939 -6.423 2 H2 MET 1 2H MET 1 -28.322 -22.429 -6.240 3 H3 MET 1 3H MET 1 -28.955 -23.780 -5.448 4 HA MET 1 HA MET 1 -27.747 -22.369 -3.915 5 HB2 MET 1 2HB MET 1 -26.420 -25.031 -4.510 6 HB3 MET 1 3HB MET 1 -26.208 -24.125 -3.015 7 HG2 MET 1 2HG MET 1 -28.607 -24.335 -2.553 8 HG3 MET 1 3HG MET 1 -28.808 -25.254 -4.045 9 HE1 MET 1 3HE MET 1 -27.824 -27.677 -4.442 10 HE2 MET 1 1HE MET 1 -26.807 -28.529 -3.278 11 HE3 MET 1 2HE MET 1 -26.200 -27.086 -4.086 12 HA PRO 2 HA PRO 2 -24.371 -20.026 -5.492 13 HB2 PRO 2 2HB PRO 2 -23.045 -19.411 -3.162 14 HB3 PRO 2 3HB PRO 2 -24.533 -18.621 -3.692 15 HG2 PRO 2 2HG PRO 2 -24.179 -20.871 -1.740 16 HG3 PRO 2 3HG PRO 2 -25.204 -19.428 -1.609 17 HD2 PRO 2 2HD PRO 2 -26.235 -21.808 -2.307 18 HD3 PRO 2 3HD PRO 2 -26.826 -20.301 -3.043 19 H THR 3 H THR 3 -22.967 -21.211 -6.691 20 HA THR 3 HA THR 3 -20.986 -22.921 -5.329 21 HB THR 3 HB THR 3 -20.468 -23.779 -7.624 22 HG1 THR 3 HG1 THR 3 -22.600 -23.099 -8.970 23 HG21 THR 3 3HG2 THR 3 -22.056 -24.984 -6.200 24 HG22 THR 3 1HG2 THR 3 -22.545 -25.078 -7.893 25 HG23 THR 3 2HG2 THR 3 -23.373 -23.973 -6.796 26 H LYS 4 H LYS 4 -21.066 -20.623 -8.061 27 HA LYS 4 HA LYS 4 -18.319 -19.778 -7.414 28 HB2 LYS 4 2HB LYS 4 -19.985 -19.414 -9.915 29 HB3 LYS 4 3HB LYS 4 -18.459 -18.586 -9.659 30 HG2 LYS 4 2HG LYS 4 -17.968 -20.449 -11.006 31 HG3 LYS 4 3HG LYS 4 -17.389 -20.851 -9.392 32 HD2 LYS 4 2HD LYS 4 -18.451 -22.797 -10.231 33 HD3 LYS 4 3HD LYS 4 -19.551 -22.105 -9.042 34 HE2 LYS 4 2HE LYS 4 -19.795 -21.603 -12.009 35 HE3 LYS 4 3HE LYS 4 -20.597 -22.943 -11.192 36 HZ1 LYS 4 3HZ LYS 4 -21.753 -21.318 -9.793 37 HZ2 LYS 4 1HZ LYS 4 -22.088 -21.089 -11.435 38 HZ3 LYS 4 2HZ LYS 4 -21.018 -20.053 -10.641 39 HA PRO 5 HA PRO 5 -20.500 -16.062 -5.933 40 HB2 PRO 5 2HB PRO 5 -19.063 -15.648 -3.729 41 HB3 PRO 5 3HB PRO 5 -20.192 -17.006 -3.817 42 HG2 PRO 5 2HG PRO 5 -17.215 -17.000 -4.045 43 HG3 PRO 5 3HG PRO 5 -18.280 -18.206 -3.300 44 HD2 PRO 5 2HD PRO 5 -17.166 -18.318 -5.901 45 HD3 PRO 5 3HD PRO 5 -18.441 -19.365 -5.250 46 HA PRO 6 HA PRO 6 -17.638 -12.827 -7.316 47 HB2 PRO 6 2HB PRO 6 -18.766 -11.066 -5.225 48 HB3 PRO 6 3HB PRO 6 -18.787 -10.877 -6.981 49 HG2 PRO 6 2HG PRO 6 -21.014 -11.493 -5.607 50 HG3 PRO 6 3HG PRO 6 -20.707 -12.140 -7.232 51 HD2 PRO 6 2HD PRO 6 -20.360 -13.475 -4.563 52 HD3 PRO 6 3HD PRO 6 -21.038 -14.130 -6.070 53 H TYR 7 H TYR 7 -15.551 -12.486 -6.765 54 HA TYR 7 HA TYR 7 -14.412 -13.530 -4.442 55 HB2 TYR 7 2HB TYR 7 -13.285 -11.467 -6.352 56 HB3 TYR 7 3HB TYR 7 -12.341 -12.331 -5.143 57 HD1 TYR 7 HD2 TYR 7 -11.944 -14.769 -5.380 58 HD2 TYR 7 HD1 TYR 7 -13.935 -12.534 -8.414 59 HE1 TYR 7 HE2 TYR 7 -11.563 -16.600 -6.976 60 HE2 TYR 7 HE1 TYR 7 -13.561 -14.364 -10.015 61 HH TYR 7 HH TYR 7 -12.481 -17.466 -9.053 62 HA PRO 8 HA PRO 8 -15.068 -10.559 -1.239 63 HB2 PRO 8 2HB PRO 8 -12.704 -10.817 0.161 64 HB3 PRO 8 3HB PRO 8 -14.069 -11.931 0.282 65 HG2 PRO 8 2HG PRO 8 -11.568 -12.171 -1.352 66 HG3 PRO 8 3HG PRO 8 -12.398 -13.411 -0.391 67 HD2 PRO 8 2HD PRO 8 -12.667 -13.320 -3.055 68 HD3 PRO 8 3HD PRO 8 -14.040 -13.742 -2.012 69 H ARG 9 H ARG 9 -13.883 -8.658 -0.074 70 HA ARG 9 HA ARG 9 -12.709 -7.021 -2.248 71 HB2 ARG 9 2HB ARG 9 -14.097 -5.176 -1.541 72 HB3 ARG 9 3HB ARG 9 -15.117 -6.580 -1.831 73 HG2 ARG 9 2HG ARG 9 -15.294 -7.001 0.546 74 HG3 ARG 9 3HG ARG 9 -14.160 -5.697 0.893 75 HD2 ARG 9 2HD ARG 9 -16.392 -4.914 1.312 76 HD3 ARG 9 3HD ARG 9 -15.765 -4.097 -0.118 77 HE ARG 9 HE ARG 9 -17.311 -6.451 -0.700 78 HH11 ARG 9 1HH1 ARG 9 -17.427 -3.054 -0.132 79 HH12 ARG 9 2HH1 ARG 9 -18.942 -2.864 -0.943 80 HH21 ARG 9 1HH2 ARG 9 -19.246 -6.198 -1.715 81 HH22 ARG 9 2HH2 ARG 9 -19.975 -4.628 -1.803 82 H GLU 10 H GLU 10 -11.651 -8.288 0.527 83 HA GLU 10 HA GLU 10 -10.933 -5.768 1.850 84 HB2 GLU 10 2HB GLU 10 -12.007 -7.613 3.157 85 HB3 GLU 10 3HB GLU 10 -10.555 -8.574 2.911 86 HG2 GLU 10 2HG GLU 10 -10.600 -7.478 5.107 87 HG3 GLU 10 3HG GLU 10 -9.225 -6.967 4.128 88 H ALA 11 H ALA 11 -8.878 -5.140 2.341 89 HA ALA 11 HA ALA 11 -6.611 -6.654 1.229 90 HB1 ALA 11 3HB ALA 11 -7.355 -5.082 -0.516 91 HB2 ALA 11 1HB ALA 11 -5.748 -4.677 0.088 92 HB3 ALA 11 2HB ALA 11 -7.148 -3.743 0.612 93 H TYR 12 H TYR 12 -4.524 -5.059 1.719 94 HA TYR 12 HA TYR 12 -4.753 -3.776 4.316 95 HB2 TYR 12 2HB TYR 12 -2.972 -5.166 5.354 96 HB3 TYR 12 3HB TYR 12 -4.439 -6.076 5.012 97 HD1 TYR 12 HD1 TYR 12 -4.484 -7.635 3.041 98 HD2 TYR 12 HD2 TYR 12 -0.884 -5.790 4.376 99 HE1 TYR 12 HE1 TYR 12 -3.175 -9.296 1.798 100 HE2 TYR 12 HE2 TYR 12 0.429 -7.453 3.128 101 HH TYR 12 HH TYR 12 0.129 -9.758 2.252 102 H ILE 13 H ILE 13 -3.068 -2.362 4.796 103 HA ILE 13 HA ILE 13 -1.304 -1.735 2.523 104 HB ILE 13 HB ILE 13 -2.059 -0.030 4.909 105 HG12 ILE 13 2HG1 ILE 13 -3.003 0.164 2.030 106 HG13 ILE 13 3HG1 ILE 13 -3.946 -0.523 3.348 107 HG21 ILE 13 1HG2 ILE 13 -0.561 0.710 2.389 108 HG22 ILE 13 2HG2 ILE 13 0.134 0.567 4.004 109 HG23 ILE 13 3HG2 ILE 13 -1.052 1.826 3.665 110 HD11 ILE 13 3HD1 ILE 13 -4.630 1.751 2.842 111 HD12 ILE 13 1HD1 ILE 13 -2.998 2.327 3.170 112 HD13 ILE 13 2HD1 ILE 13 -3.965 1.636 4.471 113 H VAL 14 H VAL 14 0.848 -1.962 2.661 114 HA VAL 14 HA VAL 14 2.060 -2.629 5.270 115 HB VAL 14 HB VAL 14 3.143 -3.120 2.480 116 HG11 VAL 14 1HG1 VAL 14 4.168 -4.065 5.165 117 HG12 VAL 14 2HG1 VAL 14 4.918 -2.839 4.144 118 HG13 VAL 14 3HG1 VAL 14 4.829 -4.511 3.591 119 HG21 VAL 14 3HG2 VAL 14 1.164 -4.490 2.957 120 HG22 VAL 14 1HG2 VAL 14 1.916 -5.070 4.442 121 HG23 VAL 14 2HG2 VAL 14 2.622 -5.480 2.878 122 H THR 15 H THR 15 3.448 -1.233 6.202 123 HA THR 15 HA THR 15 4.126 1.235 4.785 124 HB THR 15 HB THR 15 4.920 2.040 6.995 125 HG1 THR 15 HG1 THR 15 5.546 0.128 7.993 126 HG21 THR 15 3HG2 THR 15 2.596 2.424 6.362 127 HG22 THR 15 1HG2 THR 15 2.715 2.119 8.097 128 HG23 THR 15 2HG2 THR 15 2.141 0.851 7.014 129 H ILE 16 H ILE 16 5.950 1.245 3.624 130 HA ILE 16 HA ILE 16 8.355 -0.082 4.727 131 HB ILE 16 HB ILE 16 9.203 -0.347 2.485 132 HG12 ILE 16 2HG1 ILE 16 6.668 1.007 1.509 133 HG13 ILE 16 3HG1 ILE 16 8.264 1.752 1.536 134 HG21 ILE 16 1HG2 ILE 16 7.680 -2.089 3.313 135 HG22 ILE 16 2HG2 ILE 16 7.594 -1.927 1.559 136 HG23 ILE 16 3HG2 ILE 16 6.317 -1.247 2.567 137 HD11 ILE 16 3HD1 ILE 16 7.505 -0.682 -0.062 138 HD12 ILE 16 1HD1 ILE 16 9.074 0.126 -0.063 139 HD13 ILE 16 2HD1 ILE 16 7.650 0.962 -0.682 140 H GLU 17 H GLU 17 10.449 1.000 3.934 141 HA GLU 17 HA GLU 17 10.126 3.908 3.619 142 HB2 GLU 17 2HB GLU 17 12.092 4.234 5.153 143 HB3 GLU 17 3HB GLU 17 10.624 3.665 5.933 144 HG2 GLU 17 2HG GLU 17 11.526 1.385 5.966 145 HG3 GLU 17 3HG GLU 17 13.001 1.962 5.189 146 H LYS 18 H LYS 18 11.256 4.755 2.029 147 HA LYS 18 HA LYS 18 13.408 3.153 0.785 148 HB2 LYS 18 2HB LYS 18 11.455 5.066 -0.524 149 HB3 LYS 18 3HB LYS 18 12.800 4.290 -1.350 150 HG2 LYS 18 2HG LYS 18 11.797 2.087 -0.871 151 HG3 LYS 18 3HG LYS 18 10.424 2.899 -0.110 152 HD2 LYS 18 2HD LYS 18 9.924 4.029 -2.239 153 HD3 LYS 18 3HD LYS 18 11.289 3.206 -2.997 154 HE2 LYS 18 2HE LYS 18 10.220 1.040 -2.550 155 HE3 LYS 18 3HE LYS 18 8.856 1.870 -1.802 156 HZ1 LYS 18 3HZ LYS 18 8.429 2.952 -3.942 157 HZ2 LYS 18 1HZ LYS 18 8.334 1.267 -4.055 158 HZ3 LYS 18 2HZ LYS 18 9.697 2.078 -4.639 159 H GLY 19 H GLY 19 14.768 4.726 -0.745 160 HA2 GLY 19 2HA GLY 19 15.828 6.849 -0.985 161 HA3 GLY 19 3HA GLY 19 15.303 7.277 0.635 162 H LYS 20 H LYS 20 17.164 7.718 1.687 163 HA LYS 20 HA LYS 20 19.335 5.705 1.587 164 HB2 LYS 20 2HB LYS 20 19.563 8.706 1.959 165 HB3 LYS 20 3HB LYS 20 20.909 7.576 2.038 166 HG2 LYS 20 2HG LYS 20 19.192 8.111 -0.385 167 HG3 LYS 20 3HG LYS 20 20.823 8.727 -0.109 168 HD2 LYS 20 2HD LYS 20 21.645 6.378 -0.028 169 HD3 LYS 20 3HD LYS 20 20.017 5.826 -0.427 170 HE2 LYS 20 2HE LYS 20 21.755 7.609 -2.142 171 HE3 LYS 20 3HE LYS 20 21.460 5.892 -2.407 172 HZ1 LYS 20 3HZ LYS 20 20.059 7.203 -3.829 173 HZ2 LYS 20 1HZ LYS 20 19.434 8.058 -2.512 174 HZ3 LYS 20 2HZ LYS 20 19.097 6.413 -2.688 175 HA PRO 21 HA PRO 21 19.162 5.044 6.004 176 HB2 PRO 21 2HB PRO 21 22.068 5.795 5.975 177 HB3 PRO 21 3HB PRO 21 21.275 4.404 6.725 178 HG2 PRO 21 2HG PRO 21 22.605 4.100 4.449 179 HG3 PRO 21 3HG PRO 21 21.057 3.267 4.699 180 HD2 PRO 21 2HD PRO 21 21.668 5.678 3.035 181 HD3 PRO 21 3HD PRO 21 20.516 4.361 2.736 182 H GLY 22 H GLY 22 18.423 6.393 7.549 183 HA2 GLY 22 2HA GLY 22 18.421 8.263 8.972 184 HA3 GLY 22 3HA GLY 22 19.659 9.012 7.974 185 H GLN 23 H GLN 23 18.607 9.111 5.508 186 HA GLN 23 HA GLN 23 16.253 10.846 5.829 187 HB2 GLN 23 2HB GLN 23 18.162 10.568 3.490 188 HB3 GLN 23 3HB GLN 23 16.821 11.700 3.575 189 HG2 GLN 23 2HG GLN 23 19.234 11.683 5.380 190 HG3 GLN 23 3HG GLN 23 18.957 12.785 4.035 191 HE21 GLN 23 1HE2 GLN 23 17.347 14.371 4.237 192 HE22 GLN 23 2HE2 GLN 23 16.741 14.852 5.781 193 H THR 24 H THR 24 14.899 8.870 6.076 194 HA THR 24 HA THR 24 14.433 7.431 3.546 195 HB THR 24 HB THR 24 13.121 5.809 4.880 196 HG1 THR 24 HG1 THR 24 12.583 6.272 6.867 197 HG21 THR 24 3HG2 THR 24 15.474 5.368 4.456 198 HG22 THR 24 1HG2 THR 24 15.020 4.783 6.058 199 HG23 THR 24 2HG2 THR 24 15.929 6.287 5.892 200 H VAL 25 H VAL 25 12.451 7.319 2.582 201 HA VAL 25 HA VAL 25 10.343 9.118 3.609 202 HB VAL 25 HB VAL 25 10.695 8.036 0.796 203 HG11 VAL 25 1HG1 VAL 25 8.975 9.679 0.175 204 HG12 VAL 25 2HG1 VAL 25 8.784 10.125 1.869 205 HG13 VAL 25 3HG1 VAL 25 8.356 8.500 1.331 206 HG21 VAL 25 3HG2 VAL 25 12.481 9.595 1.365 207 HG22 VAL 25 1HG2 VAL 25 11.298 10.791 1.890 208 HG23 VAL 25 2HG2 VAL 25 11.380 10.315 0.192 209 H THR 26 H THR 26 8.537 8.193 4.393 210 HA THR 26 HA THR 26 8.244 5.334 4.411 211 HB THR 26 HB THR 26 6.210 7.388 5.325 212 HG1 THR 26 HG1 THR 26 8.561 6.384 6.546 213 HG21 THR 26 3HG2 THR 26 5.317 5.115 5.129 214 HG22 THR 26 1HG2 THR 26 5.456 5.592 6.822 215 HG23 THR 26 2HG2 THR 26 6.646 4.501 6.116 216 H TRP 27 H TRP 27 7.445 4.217 2.744 217 HA TRP 27 HA TRP 27 5.338 5.425 1.072 218 HB2 TRP 27 2HB TRP 27 7.383 3.282 0.473 219 HB3 TRP 27 3HB TRP 27 5.987 3.567 -0.562 220 HD1 TRP 27 HD1 TRP 27 9.271 5.223 0.547 221 HE1 TRP 27 HE1 TRP 27 9.847 7.088 -1.130 222 HE3 TRP 27 HE3 TRP 27 4.983 5.157 -2.231 223 HZ2 TRP 27 HZ2 TRP 27 8.635 8.369 -3.337 224 HZ3 TRP 27 HZ3 TRP 27 4.765 6.734 -4.108 225 HH2 TRP 27 HH2 TRP 27 6.557 8.310 -4.647 226 H TYR 28 H TYR 28 3.381 4.546 0.992 227 HA TYR 28 HA TYR 28 2.832 2.161 2.604 228 HB2 TYR 28 2HB TYR 28 0.964 4.272 1.487 229 HB3 TYR 28 3HB TYR 28 0.471 2.917 2.496 230 HD1 TYR 28 HD2 TYR 28 2.638 5.951 2.485 231 HD2 TYR 28 HD1 TYR 28 0.505 3.113 4.841 232 HE1 TYR 28 HE2 TYR 28 3.066 7.303 4.490 233 HE2 TYR 28 HE1 TYR 28 0.932 4.458 6.850 234 HH TYR 28 HH TYR 28 2.362 6.137 7.681 235 H GLN 29 H GLN 29 2.735 0.296 1.556 236 HA GLN 29 HA GLN 29 1.996 0.218 -1.282 237 HB2 GLN 29 2HB GLN 29 3.227 -1.885 0.510 238 HB3 GLN 29 3HB GLN 29 2.844 -2.121 -1.192 239 HG2 GLN 29 2HG GLN 29 4.406 -0.220 -1.701 240 HG3 GLN 29 3HG GLN 29 4.886 -0.253 -0.005 241 HE21 GLN 29 1HE2 GLN 29 6.435 -0.812 -2.457 242 HE22 GLN 29 2HE2 GLN 29 7.076 -2.401 -2.238 243 H LEU 30 H LEU 30 -0.095 -0.123 -1.713 244 HA LEU 30 HA LEU 30 -1.841 -1.494 0.132 245 HB2 LEU 30 2HB LEU 30 -2.672 0.369 -1.218 246 HB3 LEU 30 3HB LEU 30 -2.320 -0.514 -2.692 247 HG LEU 30 HG LEU 30 -4.030 -2.206 -2.070 248 HD11 LEU 30 1HD1 LEU 30 -3.908 -1.944 0.358 249 HD12 LEU 30 2HD1 LEU 30 -5.561 -1.781 -0.231 250 HD13 LEU 30 3HD1 LEU 30 -4.642 -0.345 0.225 251 HD21 LEU 30 3HD2 LEU 30 -5.062 0.636 -2.105 252 HD22 LEU 30 1HD2 LEU 30 -5.986 -0.813 -2.509 253 HD23 LEU 30 2HD2 LEU 30 -4.625 -0.324 -3.519 254 H ARG 31 H ARG 31 -1.721 -3.650 0.333 255 HA ARG 31 HA ARG 31 -1.459 -5.290 -2.114 256 HB2 ARG 31 2HB ARG 31 -0.562 -6.001 0.691 257 HB3 ARG 31 3HB ARG 31 -0.411 -7.028 -0.729 258 HG2 ARG 31 2HG ARG 31 1.095 -5.353 -1.746 259 HG3 ARG 31 3HG ARG 31 0.982 -4.389 -0.273 260 HD2 ARG 31 2HD ARG 31 1.919 -6.281 1.008 261 HD3 ARG 31 3HD ARG 31 2.070 -7.199 -0.489 262 HE ARG 31 HE ARG 31 3.459 -4.629 -0.313 263 HH11 ARG 31 1HH1 ARG 31 3.620 -8.066 -0.322 264 HH12 ARG 31 2HH1 ARG 31 5.324 -8.095 -0.605 265 HH21 ARG 31 1HH2 ARG 31 5.668 -4.684 -0.637 266 HH22 ARG 31 2HH2 ARG 31 6.467 -6.212 -0.763 267 H ALA 32 H ALA 32 -2.411 -7.577 -1.762 268 HA ALA 32 HA ALA 32 -4.811 -7.522 -0.071 269 HB1 ALA 32 3HB ALA 32 -5.537 -6.657 -2.239 270 HB2 ALA 32 1HB ALA 32 -6.257 -8.235 -1.914 271 HB3 ALA 32 2HB ALA 32 -4.904 -8.097 -3.037 272 H ASP 33 H ASP 33 -5.532 -9.511 0.617 273 HA ASP 33 HA ASP 33 -3.676 -11.661 0.666 274 HB2 ASP 33 2HB ASP 33 -6.613 -11.749 1.404 275 HB3 ASP 33 3HB ASP 33 -5.342 -12.825 1.975 276 H HIS 34 H HIS 34 -6.151 -10.832 -1.554 277 HA HIS 34 HA HIS 34 -6.130 -13.539 -2.730 278 HB2 HIS 34 2HB HIS 34 -8.383 -11.513 -2.768 279 HB3 HIS 34 3HB HIS 34 -8.409 -13.085 -3.563 280 HD1 HIS 34 HD1 HIS 34 -8.789 -11.458 -0.224 281 HD2 HIS 34 HD2 HIS 34 -8.718 -15.301 -1.816 282 HE1 HIS 34 HE1 HIS 34 -9.655 -12.958 1.589 283 HE2 HIS 34 HE2 HIS 34 -9.529 -15.275 0.640 284 HA PRO 35 HA PRO 35 -6.341 -14.604 -4.488 285 HB2 PRO 35 2HB PRO 35 -4.828 -15.587 -6.472 286 HB3 PRO 35 3HB PRO 35 -6.375 -14.795 -6.803 287 HG2 PRO 35 2HG PRO 35 -3.597 -13.672 -7.013 288 HG3 PRO 35 3HG PRO 35 -4.948 -13.528 -8.155 289 HD2 PRO 35 2HD PRO 35 -4.282 -11.582 -6.339 290 HD3 PRO 35 3HD PRO 35 -5.925 -11.812 -6.970 291 H LYS 36 H LYS 36 -3.267 -12.935 -4.624 292 HA LYS 36 HA LYS 36 -2.098 -14.948 -2.819 293 HB2 LYS 36 2HB LYS 36 -0.735 -13.629 -5.178 294 HB3 LYS 36 3HB LYS 36 0.129 -14.505 -3.924 295 HG2 LYS 36 2HG LYS 36 -1.976 -15.690 -5.735 296 HG3 LYS 36 3HG LYS 36 -0.231 -15.842 -5.958 297 HD2 LYS 36 2HD LYS 36 -0.096 -16.951 -3.728 298 HD3 LYS 36 3HD LYS 36 -1.858 -16.891 -3.630 299 HE2 LYS 36 2HE LYS 36 -1.083 -19.085 -4.381 300 HE3 LYS 36 3HE LYS 36 -2.019 -18.279 -5.640 301 HZ1 LYS 36 3HZ LYS 36 0.023 -19.352 -6.465 302 HZ2 LYS 36 1HZ LYS 36 0.947 -18.304 -5.513 303 HZ3 LYS 36 2HZ LYS 36 -0.007 -17.690 -6.769 304 HA PRO 37 HA PRO 37 -1.485 -11.276 -0.323 305 HB2 PRO 37 2HB PRO 37 0.100 -12.380 1.606 306 HB3 PRO 37 3HB PRO 37 -1.644 -12.650 1.517 307 HG2 PRO 37 2HG PRO 37 0.590 -14.401 0.538 308 HG3 PRO 37 3HG PRO 37 -0.863 -14.853 1.451 309 HD2 PRO 37 2HD PRO 37 -0.696 -15.209 -1.216 310 HD3 PRO 37 3HD PRO 37 -2.225 -14.764 -0.428 311 H ASP 38 H ASP 38 0.737 -12.530 -2.382 312 HA ASP 38 HA ASP 38 2.938 -10.795 -1.509 313 HB2 ASP 38 2HB ASP 38 2.859 -12.793 -3.787 314 HB3 ASP 38 3HB ASP 38 4.286 -11.963 -3.169 315 H SER 39 H SER 39 0.206 -10.540 -3.335 316 HA SER 39 HA SER 39 1.237 -9.257 -5.695 317 HB2 SER 39 2HB SER 39 -0.888 -10.499 -5.753 318 HB3 SER 39 3HB SER 39 -1.599 -9.349 -4.622 319 HG SER 39 HG SER 39 -2.092 -8.225 -6.316 320 H LEU 40 H LEU 40 1.255 -7.102 -6.228 321 HA LEU 40 HA LEU 40 0.779 -5.184 -4.028 322 HB2 LEU 40 2HB LEU 40 3.149 -5.387 -4.567 323 HB3 LEU 40 3HB LEU 40 2.819 -5.078 -6.261 324 HG LEU 40 HG LEU 40 2.128 -2.776 -5.716 325 HD11 LEU 40 1HD1 LEU 40 1.254 -3.137 -3.482 326 HD12 LEU 40 2HD1 LEU 40 2.496 -1.885 -3.456 327 HD13 LEU 40 3HD1 LEU 40 2.868 -3.513 -2.884 328 HD21 LEU 40 3HD2 LEU 40 4.338 -1.905 -5.092 329 HD22 LEU 40 1HD2 LEU 40 4.466 -3.198 -6.284 330 HD23 LEU 40 2HD2 LEU 40 4.834 -3.522 -4.588 331 H ILE 41 H ILE 41 -0.792 -3.738 -4.378 332 HA ILE 41 HA ILE 41 -1.991 -3.501 -7.020 333 HB ILE 41 HB ILE 41 -2.835 -2.193 -4.423 334 HG12 ILE 41 2HG1 ILE 41 -2.905 -4.630 -4.207 335 HG13 ILE 41 3HG1 ILE 41 -4.542 -3.985 -4.298 336 HG21 ILE 41 1HG2 ILE 41 -3.724 -1.035 -6.365 337 HG22 ILE 41 2HG2 ILE 41 -5.014 -1.910 -5.539 338 HG23 ILE 41 3HG2 ILE 41 -4.324 -2.557 -7.028 339 HD11 ILE 41 3HD1 ILE 41 -4.643 -4.636 -6.662 340 HD12 ILE 41 1HD1 ILE 41 -4.349 -6.010 -5.597 341 HD13 ILE 41 2HD1 ILE 41 -3.022 -5.320 -6.531 342 H SER 42 H SER 42 -0.692 -1.203 -4.574 343 HA SER 42 HA SER 42 0.433 0.489 -6.608 344 HB2 SER 42 2HB SER 42 -1.895 1.203 -6.833 345 HB3 SER 42 3HB SER 42 -1.993 1.511 -5.100 346 HG SER 42 HG SER 42 -0.601 2.933 -7.095 347 H GLU 43 H GLU 43 1.705 2.226 -5.787 348 HA GLU 43 HA GLU 43 2.275 2.081 -2.884 349 HB2 GLU 43 2HB GLU 43 4.127 2.912 -5.136 350 HB3 GLU 43 3HB GLU 43 4.547 2.862 -3.430 351 HG2 GLU 43 2HG GLU 43 4.226 0.434 -3.422 352 HG3 GLU 43 3HG GLU 43 3.809 0.486 -5.137 353 H HIS 44 H HIS 44 2.087 3.936 -1.697 354 HA HIS 44 HA HIS 44 2.023 6.531 -3.072 355 HB2 HIS 44 2HB HIS 44 -0.171 5.503 -1.254 356 HB3 HIS 44 3HB HIS 44 0.003 7.194 -1.716 357 HD1 HIS 44 HD1 HIS 44 -0.621 7.838 -4.145 358 HD2 HIS 44 HD2 HIS 44 -1.164 3.811 -3.263 359 HE1 HIS 44 HE1 HIS 44 -1.955 6.907 -6.055 360 HE2 HIS 44 HE2 HIS 44 -2.097 4.436 -5.593 361 HA PRO 45 HA PRO 45 4.556 7.625 0.392 362 HB2 PRO 45 2HB PRO 45 4.536 10.324 0.182 363 HB3 PRO 45 3HB PRO 45 5.378 9.287 -0.977 364 HG2 PRO 45 2HG PRO 45 2.672 10.569 -1.207 365 HG3 PRO 45 3HG PRO 45 3.971 10.481 -2.413 366 HD2 PRO 45 2HD PRO 45 1.833 8.809 -2.443 367 HD3 PRO 45 3HD PRO 45 3.442 8.314 -3.009 368 H THR 46 H THR 46 1.236 8.652 0.243 369 HA THR 46 HA THR 46 1.308 9.285 3.138 370 HB THR 46 HB THR 46 -0.691 10.628 2.882 371 HG1 THR 46 HG1 THR 46 -0.652 10.464 0.081 372 HG21 THR 46 3HG2 THR 46 1.350 11.355 0.770 373 HG22 THR 46 1HG2 THR 46 1.427 11.778 2.483 374 HG23 THR 46 2HG2 THR 46 0.153 12.449 1.466 375 H ALA 47 H ALA 47 -0.282 8.399 4.495 376 HA ALA 47 HA ALA 47 -1.266 5.825 3.835 377 HB1 ALA 47 3HB ALA 47 -2.098 7.639 6.102 378 HB2 ALA 47 1HB ALA 47 -0.752 6.500 6.134 379 HB3 ALA 47 2HB ALA 47 -2.406 5.906 5.994 380 H GLN 48 H GLN 48 -2.687 9.026 3.662 381 HA GLN 48 HA GLN 48 -5.399 8.328 3.438 382 HB2 GLN 48 2HB GLN 48 -4.249 10.661 3.693 383 HB3 GLN 48 3HB GLN 48 -4.203 10.654 1.938 384 HG2 GLN 48 2HG GLN 48 -6.729 10.340 3.559 385 HG3 GLN 48 3HG GLN 48 -6.131 11.879 2.947 386 HE21 GLN 48 1HE2 GLN 48 -7.628 8.859 2.125 387 HE22 GLN 48 2HE2 GLN 48 -8.064 9.291 0.508 388 H GLU 49 H GLU 49 -2.992 8.930 0.829 389 HA GLU 49 HA GLU 49 -4.627 8.332 -1.356 390 HB2 GLU 49 2HB GLU 49 -1.664 7.873 -0.985 391 HB3 GLU 49 3HB GLU 49 -2.489 7.705 -2.528 392 HG2 GLU 49 2HG GLU 49 -3.073 10.053 -2.508 393 HG3 GLU 49 3HG GLU 49 -2.351 10.241 -0.909 394 H ALA 50 H ALA 50 -2.586 6.121 0.561 395 HA ALA 50 HA ALA 50 -3.043 3.782 -0.924 396 HB1 ALA 50 3HB ALA 50 -2.472 4.037 2.031 397 HB2 ALA 50 1HB ALA 50 -1.265 3.981 0.746 398 HB3 ALA 50 2HB ALA 50 -2.281 2.574 1.065 399 H MET 51 H MET 51 -4.729 4.945 2.016 400 HA MET 51 HA MET 51 -6.736 2.954 2.060 401 HB2 MET 51 2HB MET 51 -6.687 5.781 3.136 402 HB3 MET 51 3HB MET 51 -8.010 4.664 3.435 403 HG2 MET 51 2HG MET 51 -5.145 4.184 4.229 404 HG3 MET 51 3HG MET 51 -6.399 4.817 5.295 405 HE1 MET 51 3HE MET 51 -5.938 1.206 6.693 406 HE2 MET 51 1HE MET 51 -6.054 2.918 7.099 407 HE3 MET 51 2HE MET 51 -4.708 2.332 6.123 408 H ASP 52 H ASP 52 -6.439 5.981 0.323 409 HA ASP 52 HA ASP 52 -9.123 6.370 -0.413 410 HB2 ASP 52 2HB ASP 52 -7.011 7.925 -0.601 411 HB3 ASP 52 3HB ASP 52 -6.856 7.208 -2.200 412 H ALA 53 H ALA 53 -6.456 4.780 -2.147 413 HA ALA 53 HA ALA 53 -8.039 3.861 -4.329 414 HB1 ALA 53 3HB ALA 53 -5.408 2.787 -3.295 415 HB2 ALA 53 1HB ALA 53 -5.603 4.085 -4.474 416 HB3 ALA 53 2HB ALA 53 -6.121 2.447 -4.873 417 H LYS 54 H LYS 54 -7.238 2.534 -1.167 418 HA LYS 54 HA LYS 54 -8.093 -0.117 -1.560 419 HB2 LYS 54 2HB LYS 54 -6.776 0.596 0.396 420 HB3 LYS 54 3HB LYS 54 -8.152 1.514 0.993 421 HG2 LYS 54 2HG LYS 54 -9.426 -0.513 1.323 422 HG3 LYS 54 3HG LYS 54 -8.144 -1.476 0.585 423 HD2 LYS 54 2HD LYS 54 -6.624 -0.846 2.409 424 HD3 LYS 54 3HD LYS 54 -7.902 0.121 3.143 425 HE2 LYS 54 2HE LYS 54 -8.055 -2.855 2.657 426 HE3 LYS 54 3HE LYS 54 -7.626 -2.109 4.193 427 HZ1 LYS 54 3HZ LYS 54 -10.198 -1.604 2.804 428 HZ2 LYS 54 1HZ LYS 54 -9.774 -1.161 4.377 429 HZ3 LYS 54 2HZ LYS 54 -9.995 -2.794 3.989 430 H LYS 55 H LYS 55 -9.900 2.796 -0.651 431 HA LYS 55 HA LYS 55 -12.361 1.716 0.020 432 HB2 LYS 55 2HB LYS 55 -11.829 4.226 -1.594 433 HB3 LYS 55 3HB LYS 55 -13.367 3.825 -0.841 434 HG2 LYS 55 2HG LYS 55 -12.292 3.891 1.370 435 HG3 LYS 55 3HG LYS 55 -10.764 4.326 0.601 436 HD2 LYS 55 2HD LYS 55 -13.322 5.943 0.537 437 HD3 LYS 55 3HD LYS 55 -11.879 6.312 1.481 438 HE2 LYS 55 2HE LYS 55 -10.594 6.544 -0.607 439 HE3 LYS 55 3HE LYS 55 -12.055 6.218 -1.533 440 HZ1 LYS 55 3HZ LYS 55 -11.542 8.586 -1.354 441 HZ2 LYS 55 1HZ LYS 55 -11.702 8.501 0.324 442 HZ3 LYS 55 2HZ LYS 55 -13.042 8.214 -0.667 443 H ARG 56 H ARG 56 -11.336 2.692 -3.274 444 HA ARG 56 HA ARG 56 -13.642 1.633 -4.542 445 HB2 ARG 56 2HB ARG 56 -10.925 2.351 -5.646 446 HB3 ARG 56 3HB ARG 56 -12.279 1.843 -6.648 447 HG2 ARG 56 2HG ARG 56 -13.587 3.762 -5.705 448 HG3 ARG 56 3HG ARG 56 -12.097 4.311 -4.933 449 HD2 ARG 56 2HD ARG 56 -12.520 5.455 -7.076 450 HD3 ARG 56 3HD ARG 56 -11.017 4.533 -7.093 451 HE ARG 56 HE ARG 56 -12.503 2.752 -8.230 452 HH11 ARG 56 1HH1 ARG 56 -12.875 6.155 -8.652 453 HH12 ARG 56 2HH1 ARG 56 -13.472 5.989 -10.267 454 HH21 ARG 56 1HH2 ARG 56 -13.269 2.570 -10.304 455 HH22 ARG 56 2HH2 ARG 56 -13.688 4.005 -11.182 456 H TYR 57 H TYR 57 -10.571 0.183 -3.640 457 HA TYR 57 HA TYR 57 -10.838 -2.193 -5.165 458 HB2 TYR 57 2HB TYR 57 -8.708 -1.587 -4.081 459 HB3 TYR 57 3HB TYR 57 -9.448 -1.798 -2.496 460 HD1 TYR 57 HD1 TYR 57 -8.217 -3.548 -5.499 461 HD2 TYR 57 HD2 TYR 57 -9.822 -4.018 -1.581 462 HE1 TYR 57 HE1 TYR 57 -7.643 -5.937 -5.553 463 HE2 TYR 57 HE2 TYR 57 -9.250 -6.406 -1.629 464 HH TYR 57 HH TYR 57 -8.878 -8.165 -3.378 465 H GLU 58 H GLU 58 -12.158 -1.178 -2.068 466 HA GLU 58 HA GLU 58 -13.358 -3.727 -1.477 467 HB2 GLU 58 2HB GLU 58 -13.849 -0.969 -0.331 468 HB3 GLU 58 3HB GLU 58 -14.588 -2.441 0.282 469 HG2 GLU 58 2HG GLU 58 -12.376 -3.329 0.840 470 HG3 GLU 58 3HG GLU 58 -11.631 -1.856 0.220 471 H ASP 59 H ASP 59 -14.531 -0.626 -2.747 472 HA ASP 59 HA ASP 59 -17.230 -1.413 -3.128 473 HB2 ASP 59 2HB ASP 59 -15.511 0.830 -4.163 474 HB3 ASP 59 3HB ASP 59 -17.135 0.595 -4.799 475 HA PRO 60 HA PRO 60 -17.112 -3.412 -7.180 476 HB2 PRO 60 2HB PRO 60 -19.280 -2.374 -8.437 477 HB3 PRO 60 3HB PRO 60 -19.418 -3.531 -7.105 478 HG2 PRO 60 2HG PRO 60 -19.657 -0.538 -7.041 479 HG3 PRO 60 3HG PRO 60 -20.698 -1.758 -6.279 480 HD2 PRO 60 2HD PRO 60 -18.787 -0.430 -4.898 481 HD3 PRO 60 3HD PRO 60 -19.217 -2.115 -4.532 482 H ASP 61 H ASP 61 -16.689 -0.065 -6.793 483 HA ASP 61 HA ASP 61 -16.303 0.666 -9.547 484 HB2 ASP 61 2HB ASP 61 -15.474 2.048 -6.980 485 HB3 ASP 61 3HB ASP 61 -15.382 2.770 -8.586 486 H LYS 62 H LYS 62 -14.757 -1.650 -8.619 487 HA LYS 62 HA LYS 62 -12.002 -0.892 -8.360 488 HB2 LYS 62 2HB LYS 62 -12.993 -2.954 -7.371 489 HB3 LYS 62 3HB LYS 62 -13.209 -3.600 -8.990 490 HG2 LYS 62 2HG LYS 62 -10.788 -3.594 -9.329 491 HG3 LYS 62 3HG LYS 62 -10.561 -2.902 -7.719 492 HD2 LYS 62 2HD LYS 62 -11.759 -5.600 -8.373 493 HD3 LYS 62 3HD LYS 62 -10.182 -5.295 -7.638 494 HE2 LYS 62 2HE LYS 62 -11.226 -4.370 -5.661 495 HE3 LYS 62 3HE LYS 62 -12.820 -4.477 -6.405 496 HZ1 LYS 62 3HZ LYS 62 -12.501 -6.924 -6.454 497 HZ2 LYS 62 1HZ LYS 62 -12.576 -6.264 -4.900 498 HZ3 LYS 62 2HZ LYS 62 -11.086 -6.724 -5.550 499 H GLU 63 H GLU 63 -10.475 -0.715 -9.931 500 HA GLU 63 HA GLU 63 -11.465 -0.844 -12.707 501 HB2 GLU 63 2HB GLU 63 -9.154 0.729 -11.554 502 HB3 GLU 63 3HB GLU 63 -9.710 0.795 -13.222 503 HG2 GLU 63 2HG GLU 63 -11.282 1.640 -10.791 504 HG3 GLU 63 3HG GLU 63 -10.500 2.711 -11.951 505 H LEU 64 H LEU 64 -9.349 -2.426 -10.606 506 HA LEU 64 HA LEU 64 -7.166 -3.134 -12.172 507 HB2 LEU 64 2HB LEU 64 -8.622 -4.808 -10.113 508 HB3 LEU 64 3HB LEU 64 -7.025 -5.162 -10.742 509 HG LEU 64 HG LEU 64 -7.749 -2.684 -9.160 510 HD11 LEU 64 1HD1 LEU 64 -6.252 -5.171 -8.317 511 HD12 LEU 64 2HD1 LEU 64 -7.855 -4.681 -7.766 512 HD13 LEU 64 3HD1 LEU 64 -6.444 -3.708 -7.349 513 HD21 LEU 64 3HD2 LEU 64 -5.916 -2.293 -10.722 514 HD22 LEU 64 1HD2 LEU 64 -5.076 -3.723 -10.118 515 HD23 LEU 64 2HD2 LEU 64 -5.317 -2.329 -9.064 516 H GLU 65 H GLU 65 -6.931 -4.310 -13.979 517 HA GLU 65 HA GLU 65 -9.113 -5.582 -15.277 518 HB2 GLU 65 2HB GLU 65 -7.452 -6.349 -16.921 519 HB3 GLU 65 3HB GLU 65 -7.254 -4.641 -16.549 520 HG2 GLU 65 2HG GLU 65 -5.323 -5.061 -15.225 521 HG3 GLU 65 3HG GLU 65 -5.608 -6.801 -15.246 522 H HIS 66 H HIS 66 -9.117 -7.886 -16.002 523 HA HIS 66 HA HIS 66 -8.756 -9.676 -13.780 524 HB2 HIS 66 2HB HIS 66 -9.545 -10.232 -16.654 525 HB3 HIS 66 3HB HIS 66 -9.560 -11.428 -15.362 526 HD1 HIS 66 HD1 HIS 66 -11.607 -11.532 -13.928 527 HD2 HIS 66 HD2 HIS 66 -11.510 -8.125 -16.302 528 HE1 HIS 66 HE1 HIS 66 -13.848 -10.445 -13.636 529 HE2 HIS 66 HE2 HIS 66 -13.833 -8.515 -15.246 530 H HIS 67 H HIS 67 -6.747 -10.245 -13.221 531 HA HIS 67 HA HIS 67 -4.591 -10.334 -15.136 532 HB2 HIS 67 2HB HIS 67 -4.711 -10.834 -12.160 533 HB3 HIS 67 3HB HIS 67 -3.229 -10.997 -13.096 534 HD1 HIS 67 HD1 HIS 67 -5.877 -8.294 -12.531 535 HD2 HIS 67 HD2 HIS 67 -1.794 -8.714 -13.175 536 HE1 HIS 67 HE1 HIS 67 -4.927 -5.983 -12.367 537 HE2 HIS 67 HE2 HIS 67 -2.449 -6.272 -12.650 538 H HIS 68 H HIS 68 -3.478 -12.091 -15.885 539 HA HIS 68 HA HIS 68 -4.928 -14.619 -15.781 540 HB2 HIS 68 2HB HIS 68 -2.577 -13.746 -17.477 541 HB3 HIS 68 3HB HIS 68 -3.432 -15.280 -17.642 542 HD1 HIS 68 HD1 HIS 68 -3.696 -11.661 -18.454 543 HD2 HIS 68 HD2 HIS 68 -6.036 -15.081 -18.727 544 HE1 HIS 68 HE1 HIS 68 -5.628 -11.035 -19.928 545 HE2 HIS 68 HE2 HIS 68 -6.916 -13.172 -20.233 546 H HIS 69 H HIS 69 -3.632 -16.664 -15.754 547 HA HIS 69 HA HIS 69 -2.185 -16.721 -13.252 548 HB2 HIS 69 2HB HIS 69 -2.764 -19.063 -15.075 549 HB3 HIS 69 3HB HIS 69 -2.470 -19.089 -13.339 550 HD1 HIS 69 HD1 HIS 69 -5.149 -18.885 -15.823 551 HD2 HIS 69 HD2 HIS 69 -4.684 -17.965 -11.793 552 HE1 HIS 69 HE1 HIS 69 -7.472 -18.629 -14.918 553 HE2 HIS 69 HE2 HIS 69 -7.169 -18.214 -12.458 554 H HIS 70 H HIS 70 -0.225 -15.648 -13.838 555 HA HIS 70 HA HIS 70 1.402 -16.488 -16.008 556 HB2 HIS 70 2HB HIS 70 1.532 -14.231 -15.004 557 HB3 HIS 70 3HB HIS 70 2.222 -14.931 -13.543 558 HD1 HIS 70 HD1 HIS 70 3.034 -14.440 -17.208 559 HD2 HIS 70 HD2 HIS 70 4.958 -15.292 -13.622 560 HE1 HIS 70 HE1 HIS 70 5.487 -14.361 -17.727 561 HE2 HIS 70 HE2 HIS 70 6.636 -14.797 -15.531 562 H HIS 71 H HIS 71 2.800 -18.106 -16.194 563 HA HIS 71 HA HIS 71 4.049 -19.275 -13.787 564 HB2 HIS 71 2HB HIS 71 2.799 -20.839 -16.061 565 HB3 HIS 71 3HB HIS 71 3.819 -21.550 -14.814 566 HD1 HIS 71 HD1 HIS 71 0.388 -20.272 -15.449 567 HD2 HIS 71 HD2 HIS 71 2.598 -21.756 -12.257 568 HE1 HIS 71 HE1 HIS 71 -1.288 -20.803 -13.663 569 HE2 HIS 71 HE2 HIS 71 0.048 -21.840 -11.806 Start of MODEL 7 1 H1 MET 1 1H MET 1 -24.187 -2.639 -2.223 2 H2 MET 1 2H MET 1 -24.691 -2.764 -0.610 3 H3 MET 1 3H MET 1 -25.510 -1.741 -1.675 4 HA MET 1 HA MET 1 -26.748 -3.775 -1.254 5 HB2 MET 1 2HB MET 1 -26.970 -2.584 -3.415 6 HB3 MET 1 3HB MET 1 -25.666 -3.558 -4.079 7 HG2 MET 1 2HG MET 1 -27.016 -5.568 -3.841 8 HG3 MET 1 3HG MET 1 -28.312 -4.624 -3.105 9 HE1 MET 1 3HE MET 1 -28.759 -6.570 -5.634 10 HE2 MET 1 1HE MET 1 -29.834 -5.552 -6.593 11 HE3 MET 1 2HE MET 1 -30.030 -5.639 -4.841 12 HA PRO 2 HA PRO 2 -24.193 -7.371 -0.608 13 HB2 PRO 2 2HB PRO 2 -26.172 -9.252 -0.400 14 HB3 PRO 2 3HB PRO 2 -25.758 -8.121 0.893 15 HG2 PRO 2 2HG PRO 2 -27.967 -7.953 -1.131 16 HG3 PRO 2 3HG PRO 2 -28.019 -7.623 0.611 17 HD2 PRO 2 2HD PRO 2 -27.859 -5.639 -1.209 18 HD3 PRO 2 3HD PRO 2 -27.052 -5.525 0.371 19 H THR 3 H THR 3 -23.479 -7.039 -2.941 20 HA THR 3 HA THR 3 -24.517 -9.093 -4.752 21 HB THR 3 HB THR 3 -22.244 -7.119 -5.162 22 HG1 THR 3 HG1 THR 3 -24.998 -7.030 -5.622 23 HG21 THR 3 3HG2 THR 3 -21.953 -9.159 -6.506 24 HG22 THR 3 1HG2 THR 3 -22.357 -7.775 -7.525 25 HG23 THR 3 2HG2 THR 3 -23.592 -8.976 -7.137 26 H LYS 4 H LYS 4 -23.956 -11.050 -3.904 27 HA LYS 4 HA LYS 4 -21.679 -11.592 -2.381 28 HB2 LYS 4 2HB LYS 4 -22.255 -13.981 -2.708 29 HB3 LYS 4 3HB LYS 4 -23.632 -12.997 -2.237 30 HG2 LYS 4 2HG LYS 4 -24.493 -13.008 -4.472 31 HG3 LYS 4 3HG LYS 4 -23.034 -13.794 -5.083 32 HD2 LYS 4 2HD LYS 4 -23.551 -15.768 -3.683 33 HD3 LYS 4 3HD LYS 4 -25.043 -14.987 -3.163 34 HE2 LYS 4 2HE LYS 4 -25.460 -16.596 -4.954 35 HE3 LYS 4 3HE LYS 4 -25.840 -14.954 -5.472 36 HZ1 LYS 4 3HZ LYS 4 -23.771 -14.854 -6.667 37 HZ2 LYS 4 1HZ LYS 4 -24.617 -16.236 -7.153 38 HZ3 LYS 4 2HZ LYS 4 -23.309 -16.376 -6.093 39 HA PRO 5 HA PRO 5 -18.749 -12.236 -5.789 40 HB2 PRO 5 2HB PRO 5 -16.526 -11.569 -4.460 41 HB3 PRO 5 3HB PRO 5 -17.678 -10.329 -4.973 42 HG2 PRO 5 2HG PRO 5 -17.280 -11.539 -2.265 43 HG3 PRO 5 3HG PRO 5 -17.619 -9.854 -2.698 44 HD2 PRO 5 2HD PRO 5 -19.514 -11.718 -1.836 45 HD3 PRO 5 3HD PRO 5 -19.876 -10.206 -2.693 46 HA PRO 6 HA PRO 6 -17.507 -16.381 -4.569 47 HB2 PRO 6 2HB PRO 6 -15.620 -16.892 -6.444 48 HB3 PRO 6 3HB PRO 6 -17.343 -16.812 -6.834 49 HG2 PRO 6 2HG PRO 6 -15.226 -14.713 -7.183 50 HG3 PRO 6 3HG PRO 6 -16.496 -15.216 -8.316 51 HD2 PRO 6 2HD PRO 6 -16.712 -12.994 -6.759 52 HD3 PRO 6 3HD PRO 6 -18.120 -13.962 -7.246 53 H TYR 7 H TYR 7 -15.618 -13.675 -4.114 54 HA TYR 7 HA TYR 7 -13.644 -15.142 -2.527 55 HB2 TYR 7 2HB TYR 7 -11.758 -13.930 -3.465 56 HB3 TYR 7 3HB TYR 7 -12.617 -14.729 -4.776 57 HD1 TYR 7 HD2 TYR 7 -14.171 -13.341 -6.236 58 HD2 TYR 7 HD1 TYR 7 -11.462 -11.568 -3.461 59 HE1 TYR 7 HE2 TYR 7 -14.401 -11.184 -7.391 60 HE2 TYR 7 HE1 TYR 7 -11.696 -9.410 -4.611 61 HH TYR 7 HH TYR 7 -12.329 -8.534 -6.775 62 HA PRO 8 HA PRO 8 -14.326 -11.689 0.297 63 HB2 PRO 8 2HB PRO 8 -11.587 -12.174 1.296 64 HB3 PRO 8 3HB PRO 8 -13.129 -12.281 2.153 65 HG2 PRO 8 2HG PRO 8 -11.701 -14.473 1.508 66 HG3 PRO 8 3HG PRO 8 -13.474 -14.481 1.529 67 HD2 PRO 8 2HD PRO 8 -11.604 -14.300 -0.812 68 HD3 PRO 8 3HD PRO 8 -13.125 -15.208 -0.648 69 H ARG 9 H ARG 9 -14.131 -9.583 -0.288 70 HA ARG 9 HA ARG 9 -11.705 -8.777 -1.752 71 HB2 ARG 9 2HB ARG 9 -13.213 -6.787 -2.446 72 HB3 ARG 9 3HB ARG 9 -13.452 -8.356 -3.197 73 HG2 ARG 9 2HG ARG 9 -15.374 -8.790 -1.799 74 HG3 ARG 9 3HG ARG 9 -15.097 -7.295 -0.900 75 HD2 ARG 9 2HD ARG 9 -16.887 -7.280 -2.752 76 HD3 ARG 9 3HD ARG 9 -15.729 -5.950 -2.702 77 HE ARG 9 HE ARG 9 -15.476 -8.244 -4.542 78 HH11 ARG 9 1HH1 ARG 9 -15.289 -4.883 -3.866 79 HH12 ARG 9 2HH1 ARG 9 -14.636 -4.480 -5.413 80 HH21 ARG 9 1HH2 ARG 9 -14.612 -7.740 -6.538 81 HH22 ARG 9 2HH2 ARG 9 -14.268 -6.090 -6.919 82 H GLU 10 H GLU 10 -10.428 -8.379 0.043 83 HA GLU 10 HA GLU 10 -10.713 -5.670 1.037 84 HB2 GLU 10 2HB GLU 10 -10.307 -6.319 3.399 85 HB3 GLU 10 3HB GLU 10 -11.860 -6.871 2.788 86 HG2 GLU 10 2HG GLU 10 -10.853 -9.117 2.424 87 HG3 GLU 10 3HG GLU 10 -9.380 -8.534 3.200 88 H ALA 11 H ALA 11 -8.715 -4.853 2.018 89 HA ALA 11 HA ALA 11 -6.314 -6.367 1.220 90 HB1 ALA 11 3HB ALA 11 -6.904 -4.848 -0.614 91 HB2 ALA 11 1HB ALA 11 -5.369 -4.407 0.134 92 HB3 ALA 11 2HB ALA 11 -6.826 -3.478 0.495 93 H TYR 12 H TYR 12 -4.284 -4.954 1.907 94 HA TYR 12 HA TYR 12 -4.718 -3.589 4.448 95 HB2 TYR 12 2HB TYR 12 -3.011 -4.955 5.606 96 HB3 TYR 12 3HB TYR 12 -4.415 -5.902 5.130 97 HD1 TYR 12 HD1 TYR 12 -4.235 -7.400 3.087 98 HD2 TYR 12 HD2 TYR 12 -0.838 -5.546 4.868 99 HE1 TYR 12 HE1 TYR 12 -2.766 -9.018 1.957 100 HE2 TYR 12 HE2 TYR 12 0.636 -7.155 3.738 101 HH TYR 12 HH TYR 12 -0.360 -9.108 1.211 102 H ILE 13 H ILE 13 -3.180 -2.084 4.963 103 HA ILE 13 HA ILE 13 -1.403 -1.307 2.779 104 HB ILE 13 HB ILE 13 -2.069 0.170 5.336 105 HG12 ILE 13 2HG1 ILE 13 -3.251 0.545 2.564 106 HG13 ILE 13 3HG1 ILE 13 -4.053 -0.302 3.883 107 HG21 ILE 13 1HG2 ILE 13 -0.802 1.139 2.766 108 HG22 ILE 13 2HG2 ILE 13 0.017 0.924 4.315 109 HG23 ILE 13 3HG2 ILE 13 -1.240 2.151 4.146 110 HD11 ILE 13 3HD1 ILE 13 -3.266 2.603 3.881 111 HD12 ILE 13 1HD1 ILE 13 -4.081 1.747 5.193 112 HD13 ILE 13 2HD1 ILE 13 -4.890 1.954 3.641 113 H VAL 14 H VAL 14 0.749 -1.659 2.811 114 HA VAL 14 HA VAL 14 2.046 -2.431 5.345 115 HB VAL 14 HB VAL 14 2.949 -2.927 2.494 116 HG11 VAL 14 1HG1 VAL 14 4.856 -2.693 3.996 117 HG12 VAL 14 2HG1 VAL 14 4.667 -4.373 3.492 118 HG13 VAL 14 3HG1 VAL 14 4.149 -3.873 5.101 119 HG21 VAL 14 3HG2 VAL 14 1.001 -4.265 3.064 120 HG22 VAL 14 1HG2 VAL 14 1.788 -4.817 4.545 121 HG23 VAL 14 2HG2 VAL 14 2.436 -5.288 2.974 122 H THR 15 H THR 15 3.665 -1.202 6.187 123 HA THR 15 HA THR 15 4.293 1.323 4.841 124 HB THR 15 HB THR 15 5.312 1.991 7.011 125 HG1 THR 15 HG1 THR 15 5.465 0.599 8.649 126 HG21 THR 15 3HG2 THR 15 3.216 2.141 8.275 127 HG22 THR 15 1HG2 THR 15 2.495 0.911 7.234 128 HG23 THR 15 2HG2 THR 15 2.950 2.478 6.562 129 H ILE 16 H ILE 16 6.088 1.555 3.676 130 HA ILE 16 HA ILE 16 8.535 0.102 4.493 131 HB ILE 16 HB ILE 16 9.266 -0.013 2.186 132 HG12 ILE 16 2HG1 ILE 16 6.607 1.200 1.383 133 HG13 ILE 16 3HG1 ILE 16 8.113 2.107 1.457 134 HG21 ILE 16 1HG2 ILE 16 7.936 -1.880 2.971 135 HG22 ILE 16 2HG2 ILE 16 7.595 -1.578 1.266 136 HG23 ILE 16 3HG2 ILE 16 6.449 -1.055 2.500 137 HD11 ILE 16 3HD1 ILE 16 7.566 1.423 -0.818 138 HD12 ILE 16 1HD1 ILE 16 7.593 -0.267 -0.321 139 HD13 ILE 16 2HD1 ILE 16 9.073 0.693 -0.267 140 H GLU 17 H GLU 17 10.567 1.239 3.540 141 HA GLU 17 HA GLU 17 10.220 4.158 3.433 142 HB2 GLU 17 2HB GLU 17 12.206 2.708 5.202 143 HB3 GLU 17 3HB GLU 17 12.235 4.438 4.889 144 HG2 GLU 17 2HG GLU 17 9.923 4.568 5.849 145 HG3 GLU 17 3HG GLU 17 10.088 2.876 6.314 146 H LYS 18 H LYS 18 11.293 5.087 1.812 147 HA LYS 18 HA LYS 18 13.322 3.512 0.350 148 HB2 LYS 18 2HB LYS 18 11.636 5.862 -0.560 149 HB3 LYS 18 3HB LYS 18 12.795 5.003 -1.564 150 HG2 LYS 18 2HG LYS 18 11.446 2.963 -1.393 151 HG3 LYS 18 3HG LYS 18 10.292 3.815 -0.361 152 HD2 LYS 18 2HD LYS 18 9.895 5.418 -2.232 153 HD3 LYS 18 3HD LYS 18 10.942 4.431 -3.251 154 HE2 LYS 18 2HE LYS 18 8.439 3.415 -1.901 155 HE3 LYS 18 3HE LYS 18 8.496 4.003 -3.561 156 HZ1 LYS 18 3HZ LYS 18 10.044 1.700 -2.503 157 HZ2 LYS 18 1HZ LYS 18 10.059 2.253 -4.097 158 HZ3 LYS 18 2HZ LYS 18 8.645 1.594 -3.446 159 H GLY 19 H GLY 19 14.964 5.051 -0.867 160 HA2 GLY 19 2HA GLY 19 16.228 7.085 -0.845 161 HA3 GLY 19 3HA GLY 19 15.676 7.386 0.792 162 H LYS 20 H LYS 20 17.554 7.599 1.887 163 HA LYS 20 HA LYS 20 19.716 5.637 1.455 164 HB2 LYS 20 2HB LYS 20 19.810 8.312 2.876 165 HB3 LYS 20 3HB LYS 20 21.181 7.258 2.585 166 HG2 LYS 20 2HG LYS 20 21.351 8.963 0.989 167 HG3 LYS 20 3HG LYS 20 20.721 7.570 0.107 168 HD2 LYS 20 2HD LYS 20 18.508 8.476 0.100 169 HD3 LYS 20 3HD LYS 20 18.966 9.757 1.227 170 HE2 LYS 20 2HE LYS 20 18.779 10.578 -1.077 171 HE3 LYS 20 3HE LYS 20 20.414 10.752 -0.446 172 HZ1 LYS 20 3HZ LYS 20 20.457 9.935 -2.693 173 HZ2 LYS 20 1HZ LYS 20 19.464 8.626 -2.289 174 HZ3 LYS 20 2HZ LYS 20 21.029 8.732 -1.654 175 HA PRO 21 HA PRO 21 19.281 3.762 5.537 176 HB2 PRO 21 2HB PRO 21 22.227 4.217 5.776 177 HB3 PRO 21 3HB PRO 21 21.297 2.732 6.011 178 HG2 PRO 21 2HG PRO 21 22.751 3.077 3.808 179 HG3 PRO 21 3HG PRO 21 21.157 2.304 3.728 180 HD2 PRO 21 2HD PRO 21 21.955 5.088 2.960 181 HD3 PRO 21 3HD PRO 21 20.795 3.990 2.181 182 H GLY 22 H GLY 22 18.353 5.027 7.067 183 HA2 GLY 22 2HA GLY 22 18.429 6.450 8.961 184 HA3 GLY 22 3HA GLY 22 19.931 7.138 8.365 185 H GLN 23 H GLN 23 19.254 7.887 5.810 186 HA GLN 23 HA GLN 23 17.286 10.023 6.242 187 HB2 GLN 23 2HB GLN 23 19.329 9.598 4.044 188 HB3 GLN 23 3HB GLN 23 18.216 10.960 4.118 189 HG2 GLN 23 2HG GLN 23 20.299 10.309 6.200 190 HG3 GLN 23 3HG GLN 23 20.474 11.515 4.925 191 HE21 GLN 23 1HE2 GLN 23 18.838 10.718 7.902 192 HE22 GLN 23 2HE2 GLN 23 18.247 12.305 8.223 193 H THR 24 H THR 24 15.576 8.357 6.171 194 HA THR 24 HA THR 24 15.029 7.250 3.503 195 HB THR 24 HB THR 24 13.342 5.823 4.687 196 HG1 THR 24 HG1 THR 24 12.877 6.358 6.678 197 HG21 THR 24 3HG2 THR 24 15.551 4.945 4.165 198 HG22 THR 24 1HG2 THR 24 14.997 4.322 5.718 199 HG23 THR 24 2HG2 THR 24 16.194 5.616 5.664 200 H VAL 25 H VAL 25 12.718 7.030 2.908 201 HA VAL 25 HA VAL 25 11.055 9.323 3.731 202 HB VAL 25 HB VAL 25 11.283 8.194 0.921 203 HG11 VAL 25 1HG1 VAL 25 9.028 8.985 1.419 204 HG12 VAL 25 2HG1 VAL 25 9.823 10.050 0.264 205 HG13 VAL 25 3HG1 VAL 25 9.671 10.537 1.951 206 HG21 VAL 25 3HG2 VAL 25 13.266 9.486 1.498 207 HG22 VAL 25 1HG2 VAL 25 12.257 10.833 2.036 208 HG23 VAL 25 2HG2 VAL 25 12.279 10.371 0.333 209 H THR 26 H THR 26 9.084 8.725 4.462 210 HA THR 26 HA THR 26 8.372 5.976 4.657 211 HB THR 26 HB THR 26 6.688 8.425 5.258 212 HG1 THR 26 HG1 THR 26 8.810 7.762 6.454 213 HG21 THR 26 3HG2 THR 26 6.295 5.537 6.086 214 HG22 THR 26 1HG2 THR 26 5.280 6.442 4.959 215 HG23 THR 26 2HG2 THR 26 5.342 6.909 6.659 216 H TRP 27 H TRP 27 7.319 4.717 3.271 217 HA TRP 27 HA TRP 27 5.367 5.898 1.401 218 HB2 TRP 27 2HB TRP 27 7.598 3.969 0.803 219 HB3 TRP 27 3HB TRP 27 6.133 3.956 -0.174 220 HD1 TRP 27 HD1 TRP 27 9.142 6.216 0.666 221 HE1 TRP 27 HE1 TRP 27 9.373 7.961 -1.208 222 HE3 TRP 27 HE3 TRP 27 4.887 5.161 -1.959 223 HZ2 TRP 27 HZ2 TRP 27 7.945 8.790 -3.493 224 HZ3 TRP 27 HZ3 TRP 27 4.388 6.477 -3.979 225 HH2 TRP 27 HH2 TRP 27 5.889 8.255 -4.728 226 H TYR 28 H TYR 28 3.618 4.559 0.816 227 HA TYR 28 HA TYR 28 3.148 2.278 2.637 228 HB2 TYR 28 2HB TYR 28 1.147 4.258 1.510 229 HB3 TYR 28 3HB TYR 28 0.733 2.858 2.492 230 HD1 TYR 28 HD2 TYR 28 2.492 6.123 2.532 231 HD2 TYR 28 HD1 TYR 28 0.879 2.942 4.862 232 HE1 TYR 28 HE2 TYR 28 2.769 7.475 4.563 233 HE2 TYR 28 HE1 TYR 28 1.150 4.291 6.896 234 HH TYR 28 HH TYR 28 2.457 6.150 7.705 235 H GLN 29 H GLN 29 3.231 0.409 1.552 236 HA GLN 29 HA GLN 29 2.334 0.251 -1.231 237 HB2 GLN 29 2HB GLN 29 3.653 -1.819 0.542 238 HB3 GLN 29 3HB GLN 29 3.189 -2.086 -1.133 239 HG2 GLN 29 2HG GLN 29 4.707 -0.135 -1.709 240 HG3 GLN 29 3HG GLN 29 5.321 -0.263 -0.060 241 HE21 GLN 29 1HE2 GLN 29 6.706 -0.681 -2.579 242 HE22 GLN 29 2HE2 GLN 29 7.336 -2.287 -2.515 243 H LEU 30 H LEU 30 0.167 0.086 -1.411 244 HA LEU 30 HA LEU 30 -1.455 -1.348 0.473 245 HB2 LEU 30 2HB LEU 30 -2.371 0.535 -0.778 246 HB3 LEU 30 3HB LEU 30 -2.090 -0.304 -2.292 247 HG LEU 30 HG LEU 30 -3.725 -2.056 -1.568 248 HD11 LEU 30 1HD1 LEU 30 -3.587 -1.771 0.836 249 HD12 LEU 30 2HD1 LEU 30 -5.245 -1.526 0.292 250 HD13 LEU 30 3HD1 LEU 30 -4.240 -0.138 0.704 251 HD21 LEU 30 3HD2 LEU 30 -4.809 0.758 -1.655 252 HD22 LEU 30 1HD2 LEU 30 -5.703 -0.720 -2.015 253 HD23 LEU 30 2HD2 LEU 30 -4.370 -0.220 -3.055 254 H ARG 31 H ARG 31 -1.386 -3.513 0.613 255 HA ARG 31 HA ARG 31 -1.149 -5.087 -1.882 256 HB2 ARG 31 2HB ARG 31 -0.228 -5.807 0.914 257 HB3 ARG 31 3HB ARG 31 -0.134 -6.870 -0.486 258 HG2 ARG 31 2HG ARG 31 1.378 -5.283 -1.590 259 HG3 ARG 31 3HG ARG 31 1.295 -4.229 -0.177 260 HD2 ARG 31 2HD ARG 31 2.323 -5.950 1.200 261 HD3 ARG 31 3HD ARG 31 2.319 -7.073 -0.161 262 HE ARG 31 HE ARG 31 3.779 -4.587 -0.536 263 HH11 ARG 31 1HH1 ARG 31 3.931 -7.908 0.354 264 HH12 ARG 31 2HH1 ARG 31 5.591 -8.065 -0.102 265 HH21 ARG 31 1HH2 ARG 31 5.920 -4.788 -1.087 266 HH22 ARG 31 2HH2 ARG 31 6.703 -6.325 -0.916 267 H ALA 32 H ALA 32 -2.538 -6.818 -2.200 268 HA ALA 32 HA ALA 32 -4.847 -6.913 -0.358 269 HB1 ALA 32 3HB ALA 32 -4.749 -7.613 -3.293 270 HB2 ALA 32 1HB ALA 32 -5.372 -6.111 -2.608 271 HB3 ALA 32 2HB ALA 32 -6.182 -7.642 -2.262 272 H ASP 33 H ASP 33 -5.592 -8.845 0.430 273 HA ASP 33 HA ASP 33 -3.774 -11.025 0.569 274 HB2 ASP 33 2HB ASP 33 -5.347 -10.400 2.382 275 HB3 ASP 33 3HB ASP 33 -6.695 -10.916 1.371 276 H HIS 34 H HIS 34 -6.261 -10.224 -1.664 277 HA HIS 34 HA HIS 34 -6.216 -12.960 -2.768 278 HB2 HIS 34 2HB HIS 34 -8.576 -11.059 -2.768 279 HB3 HIS 34 3HB HIS 34 -8.556 -12.695 -3.423 280 HD1 HIS 34 HD1 HIS 34 -8.584 -14.655 -1.719 281 HD2 HIS 34 HD2 HIS 34 -8.803 -10.892 0.019 282 HE1 HIS 34 HE1 HIS 34 -9.236 -15.056 0.667 283 HE2 HIS 34 HE2 HIS 34 -9.123 -12.790 1.742 284 HA PRO 35 HA PRO 35 -6.685 -14.086 -4.726 285 HB2 PRO 35 2HB PRO 35 -4.412 -14.386 -6.596 286 HB3 PRO 35 3HB PRO 35 -6.068 -14.990 -6.731 287 HG2 PRO 35 2HG PRO 35 -5.199 -12.977 -8.266 288 HG3 PRO 35 3HG PRO 35 -6.858 -13.008 -7.639 289 HD2 PRO 35 2HD PRO 35 -4.480 -11.472 -6.623 290 HD3 PRO 35 3HD PRO 35 -6.153 -10.921 -6.866 291 H LYS 36 H LYS 36 -3.269 -12.986 -5.085 292 HA LYS 36 HA LYS 36 -2.590 -14.672 -2.753 293 HB2 LYS 36 2HB LYS 36 -0.702 -13.524 -4.821 294 HB3 LYS 36 3HB LYS 36 -0.291 -14.655 -3.539 295 HG2 LYS 36 2HG LYS 36 -1.866 -16.296 -4.618 296 HG3 LYS 36 3HG LYS 36 -1.980 -15.173 -5.977 297 HD2 LYS 36 2HD LYS 36 0.498 -16.578 -4.964 298 HD3 LYS 36 3HD LYS 36 -0.322 -16.838 -6.502 299 HE2 LYS 36 2HE LYS 36 1.072 -14.297 -5.652 300 HE3 LYS 36 3HE LYS 36 1.719 -15.501 -6.763 301 HZ1 LYS 36 3HZ LYS 36 -0.079 -15.039 -8.282 302 HZ2 LYS 36 1HZ LYS 36 0.752 -13.615 -7.923 303 HZ3 LYS 36 2HZ LYS 36 -0.753 -13.919 -7.211 304 HA PRO 37 HA PRO 37 -2.145 -11.141 -0.133 305 HB2 PRO 37 2HB PRO 37 0.288 -12.554 0.880 306 HB3 PRO 37 3HB PRO 37 -1.074 -11.874 1.778 307 HG2 PRO 37 2HG PRO 37 -0.912 -14.492 1.414 308 HG3 PRO 37 3HG PRO 37 -2.477 -13.670 1.260 309 HD2 PRO 37 2HD PRO 37 -0.647 -14.686 -0.887 310 HD3 PRO 37 3HD PRO 37 -2.423 -14.716 -0.810 311 H ASP 38 H ASP 38 0.709 -12.218 -1.925 312 HA ASP 38 HA ASP 38 2.193 -9.798 -1.429 313 HB2 ASP 38 2HB ASP 38 3.809 -10.744 -3.053 314 HB3 ASP 38 3HB ASP 38 3.381 -11.882 -1.780 315 H SER 39 H SER 39 -0.510 -10.108 -3.135 316 HA SER 39 HA SER 39 0.127 -8.931 -5.651 317 HB2 SER 39 2HB SER 39 -1.939 -10.199 -5.379 318 HB3 SER 39 3HB SER 39 -2.513 -9.062 -4.161 319 HG SER 39 HG SER 39 -3.291 -7.935 -5.738 320 H LEU 40 H LEU 40 1.361 -7.075 -5.327 321 HA LEU 40 HA LEU 40 0.536 -4.914 -3.654 322 HB2 LEU 40 2HB LEU 40 2.871 -5.202 -4.244 323 HB3 LEU 40 3HB LEU 40 2.500 -5.020 -5.948 324 HG LEU 40 HG LEU 40 1.862 -2.672 -5.564 325 HD11 LEU 40 1HD1 LEU 40 2.354 -1.604 -3.405 326 HD12 LEU 40 2HD1 LEU 40 2.710 -3.184 -2.712 327 HD13 LEU 40 3HD1 LEU 40 1.081 -2.813 -3.277 328 HD21 LEU 40 3HD2 LEU 40 4.604 -3.364 -4.502 329 HD22 LEU 40 1HD2 LEU 40 4.104 -1.795 -5.135 330 HD23 LEU 40 2HD2 LEU 40 4.160 -3.200 -6.201 331 H ILE 41 H ILE 41 -1.202 -3.710 -4.012 332 HA ILE 41 HA ILE 41 -2.432 -3.481 -6.602 333 HB ILE 41 HB ILE 41 -3.143 -2.035 -4.035 334 HG12 ILE 41 2HG1 ILE 41 -3.214 -4.470 -3.719 335 HG13 ILE 41 3HG1 ILE 41 -4.844 -3.804 -3.729 336 HG21 ILE 41 1HG2 ILE 41 -4.099 -0.972 -6.007 337 HG22 ILE 41 2HG2 ILE 41 -5.358 -1.768 -5.063 338 HG23 ILE 41 3HG2 ILE 41 -4.760 -2.519 -6.541 339 HD11 ILE 41 3HD1 ILE 41 -3.494 -5.223 -6.016 340 HD12 ILE 41 1HD1 ILE 41 -5.126 -4.554 -6.041 341 HD13 ILE 41 2HD1 ILE 41 -4.736 -5.891 -4.960 342 H SER 42 H SER 42 -0.795 -1.210 -4.375 343 HA SER 42 HA SER 42 0.411 0.274 -6.452 344 HB2 SER 42 2HB SER 42 -0.831 2.398 -6.286 345 HB3 SER 42 3HB SER 42 -1.860 1.097 -6.883 346 HG SER 42 HG SER 42 -3.002 1.139 -5.073 347 H GLU 43 H GLU 43 1.897 1.797 -5.720 348 HA GLU 43 HA GLU 43 2.285 2.001 -2.816 349 HB2 GLU 43 2HB GLU 43 4.050 2.924 -5.102 350 HB3 GLU 43 3HB GLU 43 4.463 3.032 -3.398 351 HG2 GLU 43 2HG GLU 43 4.396 0.576 -3.242 352 HG3 GLU 43 3HG GLU 43 4.027 0.495 -4.965 353 H HIS 44 H HIS 44 2.019 3.865 -1.673 354 HA HIS 44 HA HIS 44 1.740 6.417 -3.089 355 HB2 HIS 44 2HB HIS 44 -0.359 5.246 -1.256 356 HB3 HIS 44 3HB HIS 44 -0.271 6.968 -1.616 357 HD1 HIS 44 HD1 HIS 44 -1.592 3.808 -2.908 358 HD2 HIS 44 HD2 HIS 44 -0.680 7.559 -4.449 359 HE1 HIS 44 HE1 HIS 44 -2.800 3.948 -5.101 360 HE2 HIS 44 HE2 HIS 44 -2.083 6.142 -6.095 361 HA PRO 45 HA PRO 45 4.264 7.794 0.281 362 HB2 PRO 45 2HB PRO 45 3.906 10.480 0.126 363 HB3 PRO 45 3HB PRO 45 4.825 9.571 -1.081 364 HG2 PRO 45 2HG PRO 45 1.983 10.523 -1.191 365 HG3 PRO 45 3HG PRO 45 3.236 10.604 -2.446 366 HD2 PRO 45 2HD PRO 45 1.308 8.691 -2.430 367 HD3 PRO 45 3HD PRO 45 2.942 8.395 -3.061 368 H THR 46 H THR 46 0.864 8.487 0.228 369 HA THR 46 HA THR 46 0.895 9.026 3.138 370 HB THR 46 HB THR 46 -1.197 10.257 2.898 371 HG1 THR 46 HG1 THR 46 -1.691 10.751 0.504 372 HG21 THR 46 3HG2 THR 46 0.888 11.219 0.926 373 HG22 THR 46 1HG2 THR 46 0.874 11.542 2.660 374 HG23 THR 46 2HG2 THR 46 -0.392 12.208 1.628 375 H ALA 47 H ALA 47 -0.695 8.038 4.428 376 HA ALA 47 HA ALA 47 -1.530 5.438 3.640 377 HB1 ALA 47 3HB ALA 47 -2.660 5.345 5.801 378 HB2 ALA 47 1HB ALA 47 -2.445 7.084 6.002 379 HB3 ALA 47 2HB ALA 47 -1.039 6.020 5.971 380 H GLN 48 H GLN 48 -3.117 8.570 3.713 381 HA GLN 48 HA GLN 48 -5.784 7.778 3.425 382 HB2 GLN 48 2HB GLN 48 -5.090 10.075 3.966 383 HB3 GLN 48 3HB GLN 48 -4.430 10.264 2.347 384 HG2 GLN 48 2HG GLN 48 -6.597 11.351 2.564 385 HG3 GLN 48 3HG GLN 48 -6.646 10.047 1.381 386 HE21 GLN 48 1HE2 GLN 48 -7.830 8.183 1.849 387 HE22 GLN 48 2HE2 GLN 48 -8.991 8.132 3.128 388 H GLU 49 H GLU 49 -3.403 8.580 0.877 389 HA GLU 49 HA GLU 49 -5.081 7.994 -1.310 390 HB2 GLU 49 2HB GLU 49 -2.093 8.102 -0.981 391 HB3 GLU 49 3HB GLU 49 -2.817 7.640 -2.515 392 HG2 GLU 49 2HG GLU 49 -3.399 10.224 -1.080 393 HG3 GLU 49 3HG GLU 49 -2.190 10.041 -2.352 394 H ALA 50 H ALA 50 -2.973 5.918 0.620 395 HA ALA 50 HA ALA 50 -3.257 3.570 -0.940 396 HB1 ALA 50 3HB ALA 50 -2.815 3.794 2.038 397 HB2 ALA 50 1HB ALA 50 -1.549 3.839 0.813 398 HB3 ALA 50 2HB ALA 50 -2.503 2.374 1.039 399 H MET 51 H MET 51 -5.166 4.910 1.741 400 HA MET 51 HA MET 51 -7.035 2.784 1.921 401 HB2 MET 51 2HB MET 51 -7.308 5.699 2.690 402 HB3 MET 51 3HB MET 51 -8.473 4.452 3.109 403 HG2 MET 51 2HG MET 51 -6.705 3.268 4.363 404 HG3 MET 51 3HG MET 51 -5.601 4.597 4.000 405 HE1 MET 51 3HE MET 51 -6.370 5.101 7.817 406 HE2 MET 51 1HE MET 51 -5.106 4.913 6.605 407 HE3 MET 51 2HE MET 51 -6.193 3.571 6.958 408 H ASP 52 H ASP 52 -6.929 5.707 -0.061 409 HA ASP 52 HA ASP 52 -9.500 5.667 -1.151 410 HB2 ASP 52 2HB ASP 52 -7.984 7.525 -1.547 411 HB3 ASP 52 3HB ASP 52 -6.862 6.480 -2.408 412 H ALA 53 H ALA 53 -6.536 4.146 -2.456 413 HA ALA 53 HA ALA 53 -7.852 2.756 -4.548 414 HB1 ALA 53 3HB ALA 53 -5.193 2.149 -3.245 415 HB2 ALA 53 1HB ALA 53 -5.454 3.243 -4.604 416 HB3 ALA 53 2HB ALA 53 -5.757 1.515 -4.789 417 H LYS 54 H LYS 54 -7.145 1.944 -1.200 418 HA LYS 54 HA LYS 54 -7.799 -0.796 -1.245 419 HB2 LYS 54 2HB LYS 54 -6.676 0.299 0.653 420 HB3 LYS 54 3HB LYS 54 -8.139 1.210 1.007 421 HG2 LYS 54 2HG LYS 54 -9.316 -0.862 1.534 422 HG3 LYS 54 3HG LYS 54 -7.870 -1.794 1.138 423 HD2 LYS 54 2HD LYS 54 -6.655 -0.677 2.955 424 HD3 LYS 54 3HD LYS 54 -8.096 0.262 3.347 425 HE2 LYS 54 2HE LYS 54 -9.296 -1.839 3.835 426 HE3 LYS 54 3HE LYS 54 -7.819 -2.741 3.504 427 HZ1 LYS 54 3HZ LYS 54 -8.174 -0.721 5.650 428 HZ2 LYS 54 1HZ LYS 54 -6.751 -1.574 5.330 429 HZ3 LYS 54 2HZ LYS 54 -8.124 -2.399 5.865 430 H LYS 55 H LYS 55 -9.841 2.033 -0.509 431 HA LYS 55 HA LYS 55 -12.269 0.676 -0.181 432 HB2 LYS 55 2HB LYS 55 -11.427 3.465 -0.642 433 HB3 LYS 55 3HB LYS 55 -13.042 3.101 -1.230 434 HG2 LYS 55 2HG LYS 55 -13.045 3.995 1.057 435 HG3 LYS 55 3HG LYS 55 -13.735 2.375 0.963 436 HD2 LYS 55 2HD LYS 55 -11.581 1.442 1.749 437 HD3 LYS 55 3HD LYS 55 -10.945 3.082 1.897 438 HE2 LYS 55 2HE LYS 55 -12.621 3.614 3.575 439 HE3 LYS 55 3HE LYS 55 -13.369 2.032 3.369 440 HZ1 LYS 55 3HZ LYS 55 -11.987 2.049 5.323 441 HZ2 LYS 55 1HZ LYS 55 -10.647 2.559 4.431 442 HZ3 LYS 55 2HZ LYS 55 -11.306 1.025 4.171 443 H ARG 56 H ARG 56 -10.807 2.064 -3.131 444 HA ARG 56 HA ARG 56 -12.873 1.422 -4.910 445 HB2 ARG 56 2HB ARG 56 -9.895 1.494 -5.460 446 HB3 ARG 56 3HB ARG 56 -11.153 1.515 -6.690 447 HG2 ARG 56 2HG ARG 56 -11.994 3.649 -5.682 448 HG3 ARG 56 3HG ARG 56 -10.570 3.646 -4.638 449 HD2 ARG 56 2HD ARG 56 -10.158 5.056 -6.559 450 HD3 ARG 56 3HD ARG 56 -9.135 3.621 -6.661 451 HE ARG 56 HE ARG 56 -11.576 3.236 -8.058 452 HH11 ARG 56 1HH1 ARG 56 -8.524 4.815 -8.324 453 HH12 ARG 56 2HH1 ARG 56 -8.535 4.768 -10.049 454 HH21 ARG 56 1HH2 ARG 56 -11.585 3.182 -10.242 455 HH22 ARG 56 2HH2 ARG 56 -10.265 3.863 -11.131 456 H TYR 57 H TYR 57 -10.155 -0.546 -3.768 457 HA TYR 57 HA TYR 57 -10.665 -2.836 -5.347 458 HB2 TYR 57 2HB TYR 57 -8.545 -2.501 -4.142 459 HB3 TYR 57 3HB TYR 57 -9.387 -2.629 -2.602 460 HD1 TYR 57 HD1 TYR 57 -8.356 -4.516 -5.619 461 HD2 TYR 57 HD2 TYR 57 -9.885 -4.765 -1.649 462 HE1 TYR 57 HE1 TYR 57 -7.985 -6.943 -5.630 463 HE2 TYR 57 HE2 TYR 57 -9.519 -7.197 -1.657 464 HH TYR 57 HH TYR 57 -7.679 -8.777 -4.063 465 H GLU 58 H GLU 58 -11.879 -1.810 -2.181 466 HA GLU 58 HA GLU 58 -13.316 -4.199 -1.607 467 HB2 GLU 58 2HB GLU 58 -13.674 -1.392 -0.528 468 HB3 GLU 58 3HB GLU 58 -14.441 -2.829 0.140 469 HG2 GLU 58 2HG GLU 58 -12.201 -3.769 0.604 470 HG3 GLU 58 3HG GLU 58 -11.480 -2.275 0.007 471 H ASP 59 H ASP 59 -14.211 -1.167 -3.192 472 HA ASP 59 HA ASP 59 -16.953 -1.971 -3.637 473 HB2 ASP 59 2HB ASP 59 -15.273 0.345 -4.613 474 HB3 ASP 59 3HB ASP 59 -16.913 0.076 -5.189 475 HA PRO 60 HA PRO 60 -16.360 -4.011 -7.587 476 HB2 PRO 60 2HB PRO 60 -18.534 -3.281 -9.016 477 HB3 PRO 60 3HB PRO 60 -18.648 -4.343 -7.608 478 HG2 PRO 60 2HG PRO 60 -19.167 -1.392 -7.791 479 HG3 PRO 60 3HG PRO 60 -20.135 -2.649 -6.995 480 HD2 PRO 60 2HD PRO 60 -18.427 -1.037 -5.634 481 HD3 PRO 60 3HD PRO 60 -18.765 -2.708 -5.138 482 H ASP 61 H ASP 61 -14.755 -1.709 -7.417 483 HA ASP 61 HA ASP 61 -15.161 0.142 -9.524 484 HB2 ASP 61 2HB ASP 61 -13.772 0.612 -7.539 485 HB3 ASP 61 3HB ASP 61 -12.607 -0.596 -8.069 486 H LYS 62 H LYS 62 -12.957 -2.665 -9.259 487 HA LYS 62 HA LYS 62 -13.028 -2.966 -12.178 488 HB2 LYS 62 2HB LYS 62 -10.999 -1.615 -11.527 489 HB3 LYS 62 3HB LYS 62 -10.434 -3.004 -10.608 490 HG2 LYS 62 2HG LYS 62 -9.314 -2.924 -12.738 491 HG3 LYS 62 3HG LYS 62 -10.379 -4.331 -12.689 492 HD2 LYS 62 2HD LYS 62 -12.057 -3.123 -13.999 493 HD3 LYS 62 3HD LYS 62 -11.035 -1.686 -14.007 494 HE2 LYS 62 2HE LYS 62 -9.323 -2.899 -15.265 495 HE3 LYS 62 3HE LYS 62 -10.321 -4.354 -15.237 496 HZ1 LYS 62 3HZ LYS 62 -10.975 -1.783 -16.575 497 HZ2 LYS 62 1HZ LYS 62 -12.030 -3.101 -16.469 498 HZ3 LYS 62 2HZ LYS 62 -10.585 -3.244 -17.332 499 H GLU 63 H GLU 63 -13.060 -5.071 -12.851 500 HA GLU 63 HA GLU 63 -13.164 -7.136 -10.792 501 HB2 GLU 63 2HB GLU 63 -14.050 -8.567 -12.599 502 HB3 GLU 63 3HB GLU 63 -14.960 -7.074 -12.416 503 HG2 GLU 63 2HG GLU 63 -13.528 -6.154 -14.312 504 HG3 GLU 63 3HG GLU 63 -13.025 -7.821 -14.589 505 H LEU 64 H LEU 64 -11.857 -8.956 -10.700 506 HA LEU 64 HA LEU 64 -9.271 -8.694 -12.086 507 HB2 LEU 64 2HB LEU 64 -10.004 -10.165 -9.546 508 HB3 LEU 64 3HB LEU 64 -8.416 -10.211 -10.283 509 HG LEU 64 HG LEU 64 -8.326 -7.686 -9.981 510 HD11 LEU 64 1HD1 LEU 64 -10.711 -8.224 -8.210 511 HD12 LEU 64 2HD1 LEU 64 -10.687 -7.238 -9.671 512 HD13 LEU 64 3HD1 LEU 64 -9.781 -6.727 -8.251 513 HD21 LEU 64 3HD2 LEU 64 -7.076 -9.205 -8.553 514 HD22 LEU 64 1HD2 LEU 64 -8.482 -9.420 -7.510 515 HD23 LEU 64 2HD2 LEU 64 -7.693 -7.847 -7.615 516 H GLU 65 H GLU 65 -12.060 -10.573 -12.235 517 HA GLU 65 HA GLU 65 -10.808 -13.111 -12.824 518 HB2 GLU 65 2HB GLU 65 -12.993 -13.073 -11.734 519 HB3 GLU 65 3HB GLU 65 -13.683 -12.195 -13.090 520 HG2 GLU 65 2HG GLU 65 -14.338 -14.509 -13.199 521 HG3 GLU 65 3HG GLU 65 -13.264 -14.135 -14.545 522 H HIS 66 H HIS 66 -10.627 -14.124 -14.839 523 HA HIS 66 HA HIS 66 -11.352 -12.564 -17.227 524 HB2 HIS 66 2HB HIS 66 -8.599 -13.739 -16.756 525 HB3 HIS 66 3HB HIS 66 -9.146 -13.007 -18.259 526 HD1 HIS 66 HD1 HIS 66 -9.410 -10.410 -18.292 527 HD2 HIS 66 HD2 HIS 66 -7.879 -11.945 -14.745 528 HE1 HIS 66 HE1 HIS 66 -8.493 -8.441 -17.046 529 HE2 HIS 66 HE2 HIS 66 -7.410 -9.417 -15.004 530 H HIS 67 H HIS 67 -13.011 -14.100 -17.588 531 HA HIS 67 HA HIS 67 -12.019 -16.512 -18.962 532 HB2 HIS 67 2HB HIS 67 -14.464 -16.388 -17.170 533 HB3 HIS 67 3HB HIS 67 -14.069 -17.741 -18.224 534 HD1 HIS 67 HD1 HIS 67 -11.022 -17.901 -17.575 535 HD2 HIS 67 HD2 HIS 67 -14.052 -17.598 -14.751 536 HE1 HIS 67 HE1 HIS 67 -10.051 -18.816 -15.449 537 HE2 HIS 67 HE2 HIS 67 -11.857 -18.498 -13.728 538 H HIS 68 H HIS 68 -13.144 -17.054 -20.877 539 HA HIS 68 HA HIS 68 -14.523 -14.721 -22.002 540 HB2 HIS 68 2HB HIS 68 -13.966 -15.605 -24.190 541 HB3 HIS 68 3HB HIS 68 -12.528 -15.595 -23.178 542 HD1 HIS 68 HD1 HIS 68 -14.691 -17.800 -25.167 543 HD2 HIS 68 HD2 HIS 68 -11.708 -18.232 -22.306 544 HE1 HIS 68 HE1 HIS 68 -13.980 -20.200 -25.295 545 HE2 HIS 68 HE2 HIS 68 -12.085 -20.405 -23.655 546 H HIS 69 H HIS 69 -16.672 -14.708 -21.967 547 HA HIS 69 HA HIS 69 -18.849 -15.295 -22.287 548 HB2 HIS 69 2HB HIS 69 -17.831 -15.770 -24.548 549 HB3 HIS 69 3HB HIS 69 -17.742 -17.463 -24.082 550 HD1 HIS 69 HD1 HIS 69 -19.627 -18.775 -24.993 551 HD2 HIS 69 HD2 HIS 69 -20.724 -14.835 -24.246 552 HE1 HIS 69 HE1 HIS 69 -22.017 -18.587 -25.733 553 HE2 HIS 69 HE2 HIS 69 -22.642 -16.190 -25.328 554 H HIS 70 H HIS 70 -17.287 -16.711 -20.144 555 HA HIS 70 HA HIS 70 -18.557 -19.354 -20.041 556 HB2 HIS 70 2HB HIS 70 -16.138 -19.265 -19.689 557 HB3 HIS 70 3HB HIS 70 -16.356 -18.153 -18.343 558 HD1 HIS 70 HD1 HIS 70 -17.089 -19.152 -16.087 559 HD2 HIS 70 HD2 HIS 70 -16.796 -21.968 -19.132 560 HE1 HIS 70 HE1 HIS 70 -17.244 -21.384 -14.952 561 HE2 HIS 70 HE2 HIS 70 -17.127 -23.070 -16.815 562 H HIS 71 H HIS 71 -20.010 -19.971 -18.522 563 HA HIS 71 HA HIS 71 -20.275 -18.433 -16.055 564 HB2 HIS 71 2HB HIS 71 -22.684 -18.270 -16.141 565 HB3 HIS 71 3HB HIS 71 -22.024 -17.544 -17.599 566 HD1 HIS 71 HD1 HIS 71 -22.533 -18.732 -19.843 567 HD2 HIS 71 HD2 HIS 71 -24.291 -20.526 -16.537 568 HE1 HIS 71 HE1 HIS 71 -24.225 -20.337 -20.769 569 HE2 HIS 71 HE2 HIS 71 -25.135 -21.535 -18.760 Start of MODEL 8 1 H1 MET 1 1H MET 1 -34.084 -18.537 0.268 2 H2 MET 1 2H MET 1 -35.311 -17.381 0.290 3 H3 MET 1 3H MET 1 -33.860 -17.090 1.111 4 HA MET 1 HA MET 1 -34.158 -17.379 -1.825 5 HB2 MET 1 2HB MET 1 -33.617 -14.921 -0.140 6 HB3 MET 1 3HB MET 1 -33.586 -14.965 -1.896 7 HG2 MET 1 2HG MET 1 -35.662 -14.012 -1.077 8 HG3 MET 1 3HG MET 1 -35.954 -15.522 -1.941 9 HE1 MET 1 3HE MET 1 -38.436 -15.451 -0.820 10 HE2 MET 1 1HE MET 1 -38.005 -13.998 0.079 11 HE3 MET 1 2HE MET 1 -38.699 -15.384 0.920 12 HA PRO 2 HA PRO 2 -29.764 -18.477 -1.358 13 HB2 PRO 2 2HB PRO 2 -29.905 -18.398 -4.326 14 HB3 PRO 2 3HB PRO 2 -29.342 -19.690 -3.259 15 HG2 PRO 2 2HG PRO 2 -31.680 -19.893 -4.537 16 HG3 PRO 2 3HG PRO 2 -31.495 -20.485 -2.873 17 HD2 PRO 2 2HD PRO 2 -32.749 -17.938 -3.850 18 HD3 PRO 2 3HD PRO 2 -33.309 -19.056 -2.587 19 H THR 3 H THR 3 -28.498 -16.789 -0.786 20 HA THR 3 HA THR 3 -28.520 -14.317 -2.338 21 HB THR 3 HB THR 3 -27.099 -13.385 -0.563 22 HG1 THR 3 HG1 THR 3 -26.132 -14.633 0.876 23 HG21 THR 3 3HG2 THR 3 -29.547 -13.381 -0.257 24 HG22 THR 3 1HG2 THR 3 -28.692 -13.510 1.280 25 HG23 THR 3 2HG2 THR 3 -29.437 -14.940 0.565 26 H LYS 4 H LYS 4 -26.270 -16.921 -1.531 27 HA LYS 4 HA LYS 4 -24.222 -17.514 -2.282 28 HB2 LYS 4 2HB LYS 4 -25.081 -15.943 -4.721 29 HB3 LYS 4 3HB LYS 4 -23.686 -17.015 -4.660 30 HG2 LYS 4 2HG LYS 4 -25.158 -18.916 -4.185 31 HG3 LYS 4 3HG LYS 4 -26.560 -17.844 -4.231 32 HD2 LYS 4 2HD LYS 4 -24.679 -18.398 -6.538 33 HD3 LYS 4 3HD LYS 4 -26.301 -19.068 -6.343 34 HE2 LYS 4 2HE LYS 4 -27.235 -16.791 -6.422 35 HE3 LYS 4 3HE LYS 4 -25.612 -16.141 -6.647 36 HZ1 LYS 4 3HZ LYS 4 -25.478 -17.491 -8.707 37 HZ2 LYS 4 1HZ LYS 4 -26.668 -16.290 -8.756 38 HZ3 LYS 4 2HZ LYS 4 -27.105 -17.904 -8.509 39 HA PRO 5 HA PRO 5 -22.364 -13.708 -0.543 40 HB2 PRO 5 2HB PRO 5 -20.267 -15.707 0.157 41 HB3 PRO 5 3HB PRO 5 -21.067 -14.509 1.180 42 HG2 PRO 5 2HG PRO 5 -21.690 -17.091 1.374 43 HG3 PRO 5 3HG PRO 5 -22.947 -15.843 1.494 44 HD2 PRO 5 2HD PRO 5 -22.259 -17.626 -0.819 45 HD3 PRO 5 3HD PRO 5 -23.854 -17.120 -0.223 46 HA PRO 6 HA PRO 6 -19.309 -12.915 -3.780 47 HB2 PRO 6 2HB PRO 6 -18.375 -10.549 -2.834 48 HB3 PRO 6 3HB PRO 6 -19.946 -10.700 -3.632 49 HG2 PRO 6 2HG PRO 6 -19.315 -10.592 -0.703 50 HG3 PRO 6 3HG PRO 6 -20.601 -9.760 -1.598 51 HD2 PRO 6 2HD PRO 6 -21.034 -12.026 -0.158 52 HD3 PRO 6 3HD PRO 6 -21.964 -11.623 -1.616 53 H TYR 7 H TYR 7 -17.175 -13.421 -4.002 54 HA TYR 7 HA TYR 7 -15.835 -14.719 -1.908 55 HB2 TYR 7 2HB TYR 7 -14.799 -13.727 -4.574 56 HB3 TYR 7 3HB TYR 7 -13.873 -14.754 -3.481 57 HD1 TYR 7 HD2 TYR 7 -14.814 -17.043 -2.884 58 HD2 TYR 7 HD1 TYR 7 -16.386 -14.683 -6.062 59 HE1 TYR 7 HE2 TYR 7 -15.887 -19.042 -3.829 60 HE2 TYR 7 HE1 TYR 7 -17.465 -16.676 -7.013 61 HH TYR 7 HH TYR 7 -17.092 -19.193 -6.931 62 HA PRO 8 HA PRO 8 -14.025 -11.746 0.668 63 HB2 PRO 8 2HB PRO 8 -11.457 -13.258 0.482 64 HB3 PRO 8 3HB PRO 8 -12.390 -12.784 1.909 65 HG2 PRO 8 2HG PRO 8 -12.433 -15.300 1.048 66 HG3 PRO 8 3HG PRO 8 -13.910 -14.528 1.658 67 HD2 PRO 8 2HD PRO 8 -13.091 -15.090 -1.170 68 HD3 PRO 8 3HD PRO 8 -14.698 -15.184 -0.417 69 H ARG 9 H ARG 9 -13.983 -9.935 -0.739 70 HA ARG 9 HA ARG 9 -11.496 -9.328 -2.133 71 HB2 ARG 9 2HB ARG 9 -13.718 -8.672 -3.067 72 HB3 ARG 9 3HB ARG 9 -13.944 -7.588 -1.702 73 HG2 ARG 9 2HG ARG 9 -13.228 -6.387 -3.698 74 HG3 ARG 9 3HG ARG 9 -12.034 -6.261 -2.407 75 HD2 ARG 9 2HD ARG 9 -11.037 -6.670 -4.648 76 HD3 ARG 9 3HD ARG 9 -10.629 -7.903 -3.455 77 HE ARG 9 HE ARG 9 -12.906 -8.523 -5.127 78 HH11 ARG 9 1HH1 ARG 9 -9.474 -8.757 -4.792 79 HH12 ARG 9 2HH1 ARG 9 -9.375 -10.165 -5.793 80 HH21 ARG 9 1HH2 ARG 9 -12.745 -10.300 -6.423 81 HH22 ARG 9 2HH2 ARG 9 -11.199 -11.036 -6.689 82 H GLU 10 H GLU 10 -9.942 -9.174 -0.500 83 HA GLU 10 HA GLU 10 -10.346 -7.055 1.525 84 HB2 GLU 10 2HB GLU 10 -8.907 -9.682 1.987 85 HB3 GLU 10 3HB GLU 10 -9.246 -8.439 3.185 86 HG2 GLU 10 2HG GLU 10 -11.620 -8.876 3.033 87 HG3 GLU 10 3HG GLU 10 -11.354 -10.031 1.729 88 H ALA 11 H ALA 11 -8.817 -5.524 1.514 89 HA ALA 11 HA ALA 11 -6.097 -6.215 0.562 90 HB1 ALA 11 3HB ALA 11 -7.243 -4.697 -0.978 91 HB2 ALA 11 1HB ALA 11 -5.868 -3.907 -0.209 92 HB3 ALA 11 2HB ALA 11 -7.507 -3.551 0.334 93 H TYR 12 H TYR 12 -4.322 -5.121 1.615 94 HA TYR 12 HA TYR 12 -4.929 -3.771 4.145 95 HB2 TYR 12 2HB TYR 12 -3.232 -5.109 5.341 96 HB3 TYR 12 3HB TYR 12 -4.571 -6.090 4.769 97 HD1 TYR 12 HD1 TYR 12 -4.222 -7.460 2.629 98 HD2 TYR 12 HD2 TYR 12 -1.011 -5.676 4.784 99 HE1 TYR 12 HE1 TYR 12 -2.646 -9.013 1.559 100 HE2 TYR 12 HE2 TYR 12 0.572 -7.221 3.710 101 HH TYR 12 HH TYR 12 -0.220 -9.120 1.025 102 H ILE 13 H ILE 13 -3.466 -2.236 4.794 103 HA ILE 13 HA ILE 13 -1.558 -1.364 2.751 104 HB ILE 13 HB ILE 13 -2.512 0.058 5.250 105 HG12 ILE 13 2HG1 ILE 13 -3.360 0.448 2.362 106 HG13 ILE 13 3HG1 ILE 13 -4.317 -0.376 3.588 107 HG21 ILE 13 1HG2 ILE 13 -0.938 1.086 2.882 108 HG22 ILE 13 2HG2 ILE 13 -0.341 0.880 4.530 109 HG23 ILE 13 3HG2 ILE 13 -1.585 2.082 4.186 110 HD11 ILE 13 3HD1 ILE 13 -3.507 2.523 3.623 111 HD12 ILE 13 1HD1 ILE 13 -4.444 1.705 4.872 112 HD13 ILE 13 2HD1 ILE 13 -5.106 1.883 3.248 113 H VAL 14 H VAL 14 0.608 -1.477 2.994 114 HA VAL 14 HA VAL 14 1.708 -2.173 5.654 115 HB VAL 14 HB VAL 14 2.802 -2.933 2.930 116 HG11 VAL 14 1HG1 VAL 14 4.593 -2.570 4.549 117 HG12 VAL 14 2HG1 VAL 14 4.429 -4.286 4.174 118 HG13 VAL 14 3HG1 VAL 14 3.796 -3.651 5.694 119 HG21 VAL 14 3HG2 VAL 14 1.506 -4.644 5.056 120 HG22 VAL 14 1HG2 VAL 14 2.209 -5.227 3.548 121 HG23 VAL 14 2HG2 VAL 14 0.785 -4.186 3.513 122 H THR 15 H THR 15 3.124 -0.761 6.519 123 HA THR 15 HA THR 15 3.967 1.554 4.968 124 HB THR 15 HB THR 15 4.909 2.386 7.107 125 HG1 THR 15 HG1 THR 15 5.356 0.249 7.993 126 HG21 THR 15 3HG2 THR 15 2.589 2.900 6.558 127 HG22 THR 15 1HG2 THR 15 2.765 2.653 8.294 128 HG23 THR 15 2HG2 THR 15 2.062 1.386 7.291 129 H ILE 16 H ILE 16 5.712 1.375 3.725 130 HA ILE 16 HA ILE 16 8.140 0.076 4.810 131 HB ILE 16 HB ILE 16 8.936 -0.255 2.554 132 HG12 ILE 16 2HG1 ILE 16 6.362 0.995 1.551 133 HG13 ILE 16 3HG1 ILE 16 7.899 1.848 1.623 134 HG21 ILE 16 1HG2 ILE 16 7.256 -1.835 1.692 135 HG22 ILE 16 2HG2 ILE 16 6.067 -1.165 2.810 136 HG23 ILE 16 3HG2 ILE 16 7.492 -1.999 3.433 137 HD11 ILE 16 3HD1 ILE 16 7.351 -0.630 0.005 138 HD12 ILE 16 1HD1 ILE 16 8.866 0.274 0.046 139 HD13 ILE 16 2HD1 ILE 16 7.410 1.019 -0.615 140 H GLU 17 H GLU 17 10.196 1.130 3.681 141 HA GLU 17 HA GLU 17 9.857 4.023 3.362 142 HB2 GLU 17 2HB GLU 17 11.796 4.452 4.864 143 HB3 GLU 17 3HB GLU 17 10.382 3.812 5.691 144 HG2 GLU 17 2HG GLU 17 11.459 1.543 5.569 145 HG3 GLU 17 3HG GLU 17 12.917 2.350 4.995 146 H LYS 18 H LYS 18 10.947 4.792 1.687 147 HA LYS 18 HA LYS 18 13.058 3.134 0.454 148 HB2 LYS 18 2HB LYS 18 11.399 5.366 -0.755 149 HB3 LYS 18 3HB LYS 18 12.606 4.418 -1.609 150 HG2 LYS 18 2HG LYS 18 11.253 2.407 -1.330 151 HG3 LYS 18 3HG LYS 18 10.057 3.329 -0.414 152 HD2 LYS 18 2HD LYS 18 9.759 4.797 -2.427 153 HD3 LYS 18 3HD LYS 18 10.811 3.698 -3.318 154 HE2 LYS 18 2HE LYS 18 8.243 2.858 -1.966 155 HE3 LYS 18 3HE LYS 18 8.357 3.323 -3.661 156 HZ1 LYS 18 3HZ LYS 18 9.860 1.499 -4.049 157 HZ2 LYS 18 1HZ LYS 18 8.433 0.921 -3.352 158 HZ3 LYS 18 2HZ LYS 18 9.833 1.066 -2.415 159 H GLY 19 H GLY 19 14.779 4.477 -0.749 160 HA2 GLY 19 2HA GLY 19 16.055 6.487 -0.934 161 HA3 GLY 19 3HA GLY 19 15.340 7.050 0.568 162 H LYS 20 H LYS 20 17.663 7.583 0.954 163 HA LYS 20 HA LYS 20 19.597 5.532 1.357 164 HB2 LYS 20 2HB LYS 20 19.503 8.393 2.337 165 HB3 LYS 20 3HB LYS 20 20.897 7.335 2.514 166 HG2 LYS 20 2HG LYS 20 21.064 7.147 0.075 167 HG3 LYS 20 3HG LYS 20 19.672 8.219 -0.099 168 HD2 LYS 20 2HD LYS 20 20.871 10.056 0.851 169 HD3 LYS 20 3HD LYS 20 22.207 9.011 1.341 170 HE2 LYS 20 2HE LYS 20 21.390 9.627 -1.502 171 HE3 LYS 20 3HE LYS 20 22.772 10.319 -0.650 172 HZ1 LYS 20 3HZ LYS 20 23.492 8.516 -2.042 173 HZ2 LYS 20 1HZ LYS 20 22.388 7.454 -1.333 174 HZ3 LYS 20 2HZ LYS 20 23.678 8.064 -0.427 175 HA PRO 21 HA PRO 21 18.593 3.956 5.429 176 HB2 PRO 21 2HB PRO 21 21.227 3.669 6.334 177 HB3 PRO 21 3HB PRO 21 20.313 2.462 5.426 178 HG2 PRO 21 2HG PRO 21 22.319 4.452 4.448 179 HG3 PRO 21 3HG PRO 21 22.062 2.771 3.941 180 HD2 PRO 21 2HD PRO 21 21.208 4.812 2.436 181 HD3 PRO 21 3HD PRO 21 20.243 3.329 2.591 182 H GLY 22 H GLY 22 17.865 5.234 7.020 183 HA2 GLY 22 2HA GLY 22 18.140 6.707 8.870 184 HA3 GLY 22 3HA GLY 22 19.584 7.361 8.111 185 H GLN 23 H GLN 23 18.711 8.032 5.613 186 HA GLN 23 HA GLN 23 16.753 10.165 6.142 187 HB2 GLN 23 2HB GLN 23 18.684 9.789 3.834 188 HB3 GLN 23 3HB GLN 23 17.581 11.147 4.009 189 HG2 GLN 23 2HG GLN 23 19.844 10.457 5.881 190 HG3 GLN 23 3HG GLN 23 19.857 11.728 4.660 191 HE21 GLN 23 1HE2 GLN 23 18.719 10.775 7.776 192 HE22 GLN 23 2HE2 GLN 23 18.061 12.304 8.234 193 H THR 24 H THR 24 15.237 8.123 6.093 194 HA THR 24 HA THR 24 14.596 7.277 3.353 195 HB THR 24 HB THR 24 13.138 5.565 4.473 196 HG1 THR 24 HG1 THR 24 13.823 5.268 6.799 197 HG21 THR 24 3HG2 THR 24 15.385 4.989 3.723 198 HG22 THR 24 1HG2 THR 24 14.986 4.142 5.218 199 HG23 THR 24 2HG2 THR 24 16.054 5.547 5.258 200 H VAL 25 H VAL 25 12.470 7.222 2.557 201 HA VAL 25 HA VAL 25 10.565 9.095 3.824 202 HB VAL 25 HB VAL 25 10.682 8.214 0.921 203 HG11 VAL 25 1HG1 VAL 25 8.413 8.780 1.661 204 HG12 VAL 25 2HG1 VAL 25 9.032 9.979 0.525 205 HG13 VAL 25 3HG1 VAL 25 8.991 10.339 2.252 206 HG21 VAL 25 3HG2 VAL 25 12.596 9.621 1.494 207 HG22 VAL 25 1HG2 VAL 25 11.512 10.841 2.167 208 HG23 VAL 25 2HG2 VAL 25 11.476 10.484 0.441 209 H THR 26 H THR 26 8.692 8.272 4.594 210 HA THR 26 HA THR 26 8.216 5.454 4.537 211 HB THR 26 HB THR 26 6.411 7.665 5.555 212 HG1 THR 26 HG1 THR 26 8.242 5.972 6.956 213 HG21 THR 26 3HG2 THR 26 6.372 4.682 6.094 214 HG22 THR 26 1HG2 THR 26 5.164 5.587 5.179 215 HG23 THR 26 2HG2 THR 26 5.364 5.879 6.908 216 H TRP 27 H TRP 27 7.361 4.395 2.880 217 HA TRP 27 HA TRP 27 5.235 5.658 1.266 218 HB2 TRP 27 2HB TRP 27 7.272 3.531 0.609 219 HB3 TRP 27 3HB TRP 27 5.822 3.738 -0.366 220 HD1 TRP 27 HD1 TRP 27 9.016 5.664 0.647 221 HE1 TRP 27 HE1 TRP 27 9.508 7.407 -1.180 222 HE3 TRP 27 HE3 TRP 27 4.829 5.037 -2.224 223 HZ2 TRP 27 HZ2 TRP 27 8.280 8.394 -3.518 224 HZ3 TRP 27 HZ3 TRP 27 4.566 6.424 -4.243 225 HH2 TRP 27 HH2 TRP 27 6.257 8.067 -4.871 226 H TYR 28 H TYR 28 3.286 4.642 1.009 227 HA TYR 28 HA TYR 28 2.758 2.311 2.728 228 HB2 TYR 28 2HB TYR 28 0.790 4.232 1.449 229 HB3 TYR 28 3HB TYR 28 0.407 2.974 2.617 230 HD1 TYR 28 HD2 TYR 28 2.231 6.182 2.191 231 HD2 TYR 28 HD1 TYR 28 0.549 3.404 4.943 232 HE1 TYR 28 HE2 TYR 28 2.542 7.806 4.008 233 HE2 TYR 28 HE1 TYR 28 0.850 5.023 6.771 234 HH TYR 28 HH TYR 28 2.248 6.994 7.290 235 H GLN 29 H GLN 29 2.785 0.399 1.686 236 HA GLN 29 HA GLN 29 2.013 0.252 -1.137 237 HB2 GLN 29 2HB GLN 29 3.175 -1.858 0.700 238 HB3 GLN 29 3HB GLN 29 2.762 -2.122 -0.988 239 HG2 GLN 29 2HG GLN 29 4.388 -0.348 -1.610 240 HG3 GLN 29 3HG GLN 29 4.867 -0.257 0.086 241 HE21 GLN 29 1HE2 GLN 29 6.415 -1.020 -2.287 242 HE22 GLN 29 2HE2 GLN 29 7.026 -2.603 -1.957 243 H LEU 30 H LEU 30 -0.041 -0.136 -1.658 244 HA LEU 30 HA LEU 30 -1.858 -1.439 0.194 245 HB2 LEU 30 2HB LEU 30 -2.646 0.441 -1.170 246 HB3 LEU 30 3HB LEU 30 -2.285 -0.457 -2.634 247 HG LEU 30 HG LEU 30 -3.991 -2.142 -2.000 248 HD11 LEU 30 1HD1 LEU 30 -3.926 -1.870 0.418 249 HD12 LEU 30 2HD1 LEU 30 -5.565 -1.645 -0.189 250 HD13 LEU 30 3HD1 LEU 30 -4.595 -0.245 0.272 251 HD21 LEU 30 3HD2 LEU 30 -4.581 -0.302 -3.491 252 HD22 LEU 30 1HD2 LEU 30 -5.008 0.698 -2.102 253 HD23 LEU 30 2HD2 LEU 30 -5.945 -0.751 -2.468 254 H ARG 31 H ARG 31 -1.813 -3.591 0.371 255 HA ARG 31 HA ARG 31 -1.268 -5.217 -2.043 256 HB2 ARG 31 2HB ARG 31 -0.626 -6.007 0.812 257 HB3 ARG 31 3HB ARG 31 -0.097 -6.802 -0.669 258 HG2 ARG 31 2HG ARG 31 1.313 -4.921 -1.232 259 HG3 ARG 31 3HG ARG 31 0.705 -4.010 0.149 260 HD2 ARG 31 2HD ARG 31 2.824 -4.852 0.783 261 HD3 ARG 31 3HD ARG 31 1.627 -5.837 1.620 262 HE ARG 31 HE ARG 31 2.801 -6.794 -0.890 263 HH11 ARG 31 1HH1 ARG 31 2.362 -7.133 2.510 264 HH12 ARG 31 2HH1 ARG 31 3.067 -8.706 2.557 265 HH21 ARG 31 1HH2 ARG 31 3.703 -8.817 -0.819 266 HH22 ARG 31 2HH2 ARG 31 3.816 -9.651 0.690 267 H ALA 32 H ALA 32 -2.209 -7.483 -1.881 268 HA ALA 32 HA ALA 32 -4.679 -7.571 -0.263 269 HB1 ALA 32 3HB ALA 32 -5.250 -6.910 -2.563 270 HB2 ALA 32 1HB ALA 32 -5.926 -8.485 -2.144 271 HB3 ALA 32 2HB ALA 32 -4.493 -8.384 -3.167 272 H ASP 33 H ASP 33 -5.276 -9.588 0.536 273 HA ASP 33 HA ASP 33 -3.232 -11.625 0.588 274 HB2 ASP 33 2HB ASP 33 -6.020 -11.577 1.767 275 HB3 ASP 33 3HB ASP 33 -4.836 -12.847 2.055 276 H HIS 34 H HIS 34 -6.186 -11.121 -1.181 277 HA HIS 34 HA HIS 34 -6.173 -13.913 -2.133 278 HB2 HIS 34 2HB HIS 34 -8.405 -11.866 -2.238 279 HB3 HIS 34 3HB HIS 34 -8.514 -13.535 -2.792 280 HD1 HIS 34 HD1 HIS 34 -8.695 -15.377 -0.983 281 HD2 HIS 34 HD2 HIS 34 -8.539 -11.515 0.543 282 HE1 HIS 34 HE1 HIS 34 -9.333 -15.584 1.433 283 HE2 HIS 34 HE2 HIS 34 -9.417 -13.218 2.284 284 HA PRO 35 HA PRO 35 -6.216 -15.191 -3.539 285 HB2 PRO 35 2HB PRO 35 -5.001 -16.433 -5.570 286 HB3 PRO 35 3HB PRO 35 -6.634 -15.779 -5.749 287 HG2 PRO 35 2HG PRO 35 -4.026 -14.638 -6.682 288 HG3 PRO 35 3HG PRO 35 -5.587 -14.693 -7.519 289 HD2 PRO 35 2HD PRO 35 -4.599 -12.492 -6.138 290 HD3 PRO 35 3HD PRO 35 -6.311 -12.766 -6.520 291 H LYS 36 H LYS 36 -3.388 -13.383 -4.488 292 HA LYS 36 HA LYS 36 -1.656 -15.136 -2.852 293 HB2 LYS 36 2HB LYS 36 -0.995 -13.438 -5.270 294 HB3 LYS 36 3HB LYS 36 0.227 -14.171 -4.241 295 HG2 LYS 36 2HG LYS 36 -1.903 -15.803 -5.595 296 HG3 LYS 36 3HG LYS 36 -0.382 -15.391 -6.389 297 HD2 LYS 36 2HD LYS 36 -0.607 -16.842 -3.745 298 HD3 LYS 36 3HD LYS 36 -0.360 -17.628 -5.307 299 HE2 LYS 36 2HE LYS 36 1.735 -16.341 -5.593 300 HE3 LYS 36 3HE LYS 36 1.501 -15.636 -3.992 301 HZ1 LYS 36 3HZ LYS 36 1.830 -18.534 -4.561 302 HZ2 LYS 36 1HZ LYS 36 1.656 -17.837 -3.033 303 HZ3 LYS 36 2HZ LYS 36 3.036 -17.517 -3.956 304 HA PRO 37 HA PRO 37 -1.030 -11.656 -0.095 305 HB2 PRO 37 2HB PRO 37 1.701 -12.754 0.303 306 HB3 PRO 37 3HB PRO 37 0.422 -12.462 1.486 307 HG2 PRO 37 2HG PRO 37 1.062 -14.947 0.718 308 HG3 PRO 37 3HG PRO 37 -0.614 -14.488 1.067 309 HD2 PRO 37 2HD PRO 37 0.739 -14.852 -1.582 310 HD3 PRO 37 3HD PRO 37 -0.902 -15.309 -1.079 311 H ASP 38 H ASP 38 1.175 -12.501 -2.646 312 HA ASP 38 HA ASP 38 2.717 -10.065 -2.543 313 HB2 ASP 38 2HB ASP 38 2.619 -12.184 -4.700 314 HB3 ASP 38 3HB ASP 38 3.885 -10.982 -4.460 315 H SER 39 H SER 39 -0.366 -10.350 -3.326 316 HA SER 39 HA SER 39 -0.490 -9.132 -5.914 317 HB2 SER 39 2HB SER 39 -2.622 -9.292 -3.760 318 HB3 SER 39 3HB SER 39 -2.892 -8.782 -5.425 319 HG SER 39 HG SER 39 -2.709 -11.285 -4.391 320 H LEU 40 H LEU 40 0.862 -7.324 -5.823 321 HA LEU 40 HA LEU 40 0.281 -5.171 -3.961 322 HB2 LEU 40 2HB LEU 40 2.596 -5.654 -4.611 323 HB3 LEU 40 3HB LEU 40 2.209 -5.328 -6.289 324 HG LEU 40 HG LEU 40 1.733 -2.961 -5.702 325 HD11 LEU 40 1HD1 LEU 40 2.414 -2.101 -3.514 326 HD12 LEU 40 2HD1 LEU 40 2.737 -3.746 -2.964 327 HD13 LEU 40 3HD1 LEU 40 1.091 -3.257 -3.372 328 HD21 LEU 40 3HD2 LEU 40 4.467 -3.947 -4.880 329 HD22 LEU 40 1HD2 LEU 40 4.063 -2.292 -5.342 330 HD23 LEU 40 2HD2 LEU 40 3.941 -3.593 -6.527 331 H ILE 41 H ILE 41 -1.126 -3.571 -4.328 332 HA ILE 41 HA ILE 41 -2.398 -3.341 -6.946 333 HB ILE 41 HB ILE 41 -3.102 -1.918 -4.367 334 HG12 ILE 41 2HG1 ILE 41 -3.322 -4.349 -4.105 335 HG13 ILE 41 3HG1 ILE 41 -4.906 -3.586 -4.143 336 HG21 ILE 41 1HG2 ILE 41 -3.928 -0.761 -6.342 337 HG22 ILE 41 2HG2 ILE 41 -5.265 -1.496 -5.457 338 HG23 ILE 41 3HG2 ILE 41 -4.664 -2.251 -6.933 339 HD11 ILE 41 3HD1 ILE 41 -4.897 -5.652 -5.408 340 HD12 ILE 41 1HD1 ILE 41 -3.588 -5.049 -6.423 341 HD13 ILE 41 2HD1 ILE 41 -5.173 -4.276 -6.477 342 H SER 42 H SER 42 -0.911 -1.105 -4.556 343 HA SER 42 HA SER 42 0.408 0.430 -6.571 344 HB2 SER 42 2HB SER 42 -0.848 2.544 -6.313 345 HB3 SER 42 3HB SER 42 -1.865 1.271 -6.986 346 HG SER 42 HG SER 42 -2.929 1.093 -5.087 347 H GLU 43 H GLU 43 1.791 2.044 -5.741 348 HA GLU 43 HA GLU 43 2.120 2.049 -2.804 349 HB2 GLU 43 2HB GLU 43 4.072 2.859 -4.979 350 HB3 GLU 43 3HB GLU 43 4.395 2.932 -3.252 351 HG2 GLU 43 2HG GLU 43 4.115 0.480 -3.131 352 HG3 GLU 43 3HG GLU 43 3.895 0.445 -4.881 353 H HIS 44 H HIS 44 1.915 3.925 -1.655 354 HA HIS 44 HA HIS 44 1.751 6.471 -3.123 355 HB2 HIS 44 2HB HIS 44 -0.332 5.409 -1.205 356 HB3 HIS 44 3HB HIS 44 -0.234 7.101 -1.683 357 HD1 HIS 44 HD1 HIS 44 -2.021 4.171 -2.524 358 HD2 HIS 44 HD2 HIS 44 -0.287 7.231 -4.734 359 HE1 HIS 44 HE1 HIS 44 -3.165 4.118 -4.755 360 HE2 HIS 44 HE2 HIS 44 -2.257 6.120 -5.980 361 HA PRO 45 HA PRO 45 4.360 7.725 0.249 362 HB2 PRO 45 2HB PRO 45 4.511 10.362 -0.250 363 HB3 PRO 45 3HB PRO 45 5.238 9.168 -1.335 364 HG2 PRO 45 2HG PRO 45 2.605 10.595 -1.592 365 HG3 PRO 45 3HG PRO 45 3.859 10.337 -2.820 366 HD2 PRO 45 2HD PRO 45 1.630 8.784 -2.635 367 HD3 PRO 45 3HD PRO 45 3.185 8.173 -3.238 368 H THR 46 H THR 46 1.075 8.484 0.103 369 HA THR 46 HA THR 46 1.136 9.637 2.819 370 HB THR 46 HB THR 46 -0.801 11.037 2.314 371 HG1 THR 46 HG1 THR 46 -0.980 11.116 -0.268 372 HG21 THR 46 3HG2 THR 46 0.242 12.668 0.809 373 HG22 THR 46 1HG2 THR 46 1.406 11.454 0.288 374 HG23 THR 46 2HG2 THR 46 1.416 12.025 1.957 375 H ALA 47 H ALA 47 -0.439 8.946 4.240 376 HA ALA 47 HA ALA 47 -1.494 6.365 3.905 377 HB1 ALA 47 3HB ALA 47 -2.684 6.758 6.004 378 HB2 ALA 47 1HB ALA 47 -2.335 8.482 5.887 379 HB3 ALA 47 2HB ALA 47 -1.018 7.329 6.099 380 H GLN 48 H GLN 48 -3.010 9.556 3.503 381 HA GLN 48 HA GLN 48 -5.664 8.775 3.178 382 HB2 GLN 48 2HB GLN 48 -4.914 11.140 3.295 383 HB3 GLN 48 3HB GLN 48 -4.243 10.998 1.677 384 HG2 GLN 48 2HG GLN 48 -7.078 10.249 1.868 385 HG3 GLN 48 3HG GLN 48 -6.745 11.925 2.287 386 HE21 GLN 48 1HE2 GLN 48 -4.767 10.264 -0.076 387 HE22 GLN 48 2HE2 GLN 48 -5.382 11.090 -1.455 388 H GLU 49 H GLU 49 -3.135 9.042 0.668 389 HA GLU 49 HA GLU 49 -4.747 8.209 -1.501 390 HB2 GLU 49 2HB GLU 49 -1.763 8.197 -1.051 391 HB3 GLU 49 3HB GLU 49 -2.481 7.654 -2.560 392 HG2 GLU 49 2HG GLU 49 -2.972 10.387 -1.406 393 HG3 GLU 49 3HG GLU 49 -1.643 10.028 -2.507 394 H ALA 50 H ALA 50 -2.787 6.379 0.801 395 HA ALA 50 HA ALA 50 -3.027 3.848 -0.451 396 HB1 ALA 50 3HB ALA 50 -2.355 2.921 1.694 397 HB2 ALA 50 1HB ALA 50 -2.687 4.461 2.485 398 HB3 ALA 50 2HB ALA 50 -1.382 4.340 1.307 399 H MET 51 H MET 51 -4.857 5.261 2.268 400 HA MET 51 HA MET 51 -6.811 3.248 2.492 401 HB2 MET 51 2HB MET 51 -6.915 6.191 3.208 402 HB3 MET 51 3HB MET 51 -8.141 5.023 3.682 403 HG2 MET 51 2HG MET 51 -6.511 3.786 4.975 404 HG3 MET 51 3HG MET 51 -5.230 4.873 4.442 405 HE1 MET 51 3HE MET 51 -8.913 5.869 5.421 406 HE2 MET 51 1HE MET 51 -8.734 6.213 7.141 407 HE3 MET 51 2HE MET 51 -8.547 4.563 6.549 408 H ASP 52 H ASP 52 -6.680 6.160 0.526 409 HA ASP 52 HA ASP 52 -9.309 6.180 -0.447 410 HB2 ASP 52 2HB ASP 52 -7.632 8.041 -0.666 411 HB3 ASP 52 3HB ASP 52 -6.815 7.100 -1.910 412 H ALA 53 H ALA 53 -6.354 4.843 -1.950 413 HA ALA 53 HA ALA 53 -7.604 3.585 -4.129 414 HB1 ALA 53 3HB ALA 53 -5.050 2.779 -2.727 415 HB2 ALA 53 1HB ALA 53 -5.185 3.994 -3.999 416 HB3 ALA 53 2HB ALA 53 -5.538 2.304 -4.354 417 H LYS 54 H LYS 54 -6.923 2.411 -0.850 418 HA LYS 54 HA LYS 54 -7.587 -0.277 -1.153 419 HB2 LYS 54 2HB LYS 54 -6.564 0.702 0.876 420 HB3 LYS 54 3HB LYS 54 -8.096 1.475 1.263 421 HG2 LYS 54 2HG LYS 54 -9.138 -0.775 1.425 422 HG3 LYS 54 3HG LYS 54 -7.548 -1.492 1.161 423 HD2 LYS 54 2HD LYS 54 -6.725 -0.339 3.191 424 HD3 LYS 54 3HD LYS 54 -8.349 0.299 3.464 425 HE2 LYS 54 2HE LYS 54 -7.542 -2.616 3.445 426 HE3 LYS 54 3HE LYS 54 -7.963 -1.656 4.861 427 HZ1 LYS 54 3HZ LYS 54 -9.777 -2.403 2.630 428 HZ2 LYS 54 1HZ LYS 54 -10.202 -1.375 3.908 429 HZ3 LYS 54 2HZ LYS 54 -9.824 -2.997 4.212 430 H LYS 55 H LYS 55 -9.754 2.369 -0.055 431 HA LYS 55 HA LYS 55 -12.076 0.814 0.073 432 HB2 LYS 55 2HB LYS 55 -13.299 2.799 0.327 433 HB3 LYS 55 3HB LYS 55 -11.712 3.204 0.958 434 HG2 LYS 55 2HG LYS 55 -11.167 4.370 -1.115 435 HG3 LYS 55 3HG LYS 55 -12.738 3.930 -1.787 436 HD2 LYS 55 2HD LYS 55 -13.784 5.143 0.174 437 HD3 LYS 55 3HD LYS 55 -12.175 5.755 0.552 438 HE2 LYS 55 2HE LYS 55 -13.645 6.182 -2.054 439 HE3 LYS 55 3HE LYS 55 -13.526 7.360 -0.751 440 HZ1 LYS 55 3HZ LYS 55 -11.210 6.258 -2.247 441 HZ2 LYS 55 1HZ LYS 55 -11.162 7.470 -1.068 442 HZ3 LYS 55 2HZ LYS 55 -11.929 7.758 -2.546 443 H ARG 56 H ARG 56 -10.666 2.607 -2.635 444 HA ARG 56 HA ARG 56 -12.781 2.180 -4.481 445 HB2 ARG 56 2HB ARG 56 -9.851 2.810 -4.909 446 HB3 ARG 56 3HB ARG 56 -11.060 2.826 -6.190 447 HG2 ARG 56 2HG ARG 56 -12.168 4.683 -5.288 448 HG3 ARG 56 3HG ARG 56 -11.401 4.486 -3.712 449 HD2 ARG 56 2HD ARG 56 -10.424 6.377 -4.816 450 HD3 ARG 56 3HD ARG 56 -9.228 5.087 -4.741 451 HE ARG 56 HE ARG 56 -10.561 4.939 -7.204 452 HH11 ARG 56 1HH1 ARG 56 -8.381 7.009 -5.502 453 HH12 ARG 56 2HH1 ARG 56 -7.664 7.616 -6.955 454 HH21 ARG 56 1HH2 ARG 56 -9.634 5.717 -9.049 455 HH22 ARG 56 2HH2 ARG 56 -8.362 6.888 -8.947 456 H TYR 57 H TYR 57 -10.076 0.197 -3.492 457 HA TYR 57 HA TYR 57 -10.318 -1.715 -5.629 458 HB2 TYR 57 2HB TYR 57 -8.190 -1.560 -4.521 459 HB3 TYR 57 3HB TYR 57 -8.924 -1.801 -2.940 460 HD1 TYR 57 HD1 TYR 57 -8.157 -3.511 -6.156 461 HD2 TYR 57 HD2 TYR 57 -9.228 -3.978 -2.061 462 HE1 TYR 57 HE1 TYR 57 -7.768 -5.932 -6.336 463 HE2 TYR 57 HE2 TYR 57 -8.842 -6.399 -2.229 464 HH TYR 57 HH TYR 57 -7.233 -7.837 -4.831 465 H GLU 58 H GLU 58 -11.809 -1.283 -2.487 466 HA GLU 58 HA GLU 58 -13.030 -3.958 -2.642 467 HB2 GLU 58 2HB GLU 58 -12.769 -2.008 -0.354 468 HB3 GLU 58 3HB GLU 58 -13.678 -3.511 -0.255 469 HG2 GLU 58 2HG GLU 58 -11.669 -4.797 -0.693 470 HG3 GLU 58 3HG GLU 58 -10.737 -3.316 -0.899 471 H ASP 59 H ASP 59 -13.903 -0.679 -3.169 472 HA ASP 59 HA ASP 59 -16.657 -0.822 -2.459 473 HB2 ASP 59 2HB ASP 59 -15.050 1.047 -4.181 474 HB3 ASP 59 3HB ASP 59 -16.805 1.166 -4.146 475 HA PRO 60 HA PRO 60 -18.667 -2.898 -5.868 476 HB2 PRO 60 2HB PRO 60 -20.427 -0.500 -6.137 477 HB3 PRO 60 3HB PRO 60 -20.862 -2.198 -5.907 478 HG2 PRO 60 2HG PRO 60 -21.068 -0.471 -3.893 479 HG3 PRO 60 3HG PRO 60 -20.486 -2.124 -3.611 480 HD2 PRO 60 2HD PRO 60 -18.929 0.432 -3.785 481 HD3 PRO 60 3HD PRO 60 -18.708 -0.951 -2.692 482 H ASP 61 H ASP 61 -17.929 0.544 -6.333 483 HA ASP 61 HA ASP 61 -17.895 0.416 -9.196 484 HB2 ASP 61 2HB ASP 61 -16.730 2.500 -7.329 485 HB3 ASP 61 3HB ASP 61 -16.974 2.691 -9.064 486 H LYS 62 H LYS 62 -16.459 -1.030 -10.016 487 HA LYS 62 HA LYS 62 -13.632 -0.816 -9.180 488 HB2 LYS 62 2HB LYS 62 -15.179 -3.261 -10.065 489 HB3 LYS 62 3HB LYS 62 -13.438 -3.232 -9.815 490 HG2 LYS 62 2HG LYS 62 -15.513 -2.669 -7.692 491 HG3 LYS 62 3HG LYS 62 -14.647 -4.193 -7.902 492 HD2 LYS 62 2HD LYS 62 -13.365 -1.520 -7.305 493 HD3 LYS 62 3HD LYS 62 -13.664 -2.796 -6.124 494 HE2 LYS 62 2HE LYS 62 -11.910 -3.060 -8.569 495 HE3 LYS 62 3HE LYS 62 -11.332 -2.780 -6.927 496 HZ1 LYS 62 3HZ LYS 62 -12.826 -5.162 -7.878 497 HZ2 LYS 62 1HZ LYS 62 -12.372 -4.882 -6.273 498 HZ3 LYS 62 2HZ LYS 62 -11.190 -5.105 -7.464 499 H GLU 63 H GLU 63 -12.029 -0.870 -10.723 500 HA GLU 63 HA GLU 63 -10.995 -0.666 -12.740 501 HB2 GLU 63 2HB GLU 63 -13.186 -2.561 -13.611 502 HB3 GLU 63 3HB GLU 63 -11.668 -2.289 -14.457 503 HG2 GLU 63 2HG GLU 63 -10.430 -3.179 -12.544 504 HG3 GLU 63 3HG GLU 63 -11.946 -3.445 -11.684 505 H LEU 64 H LEU 64 -12.998 1.346 -12.206 506 HA LEU 64 HA LEU 64 -14.505 1.881 -14.569 507 HB2 LEU 64 2HB LEU 64 -15.163 3.916 -13.552 508 HB3 LEU 64 3HB LEU 64 -15.092 2.711 -12.285 509 HG LEU 64 HG LEU 64 -12.980 4.824 -12.788 510 HD11 LEU 64 1HD1 LEU 64 -15.104 4.674 -10.650 511 HD12 LEU 64 2HD1 LEU 64 -15.065 5.806 -12.002 512 HD13 LEU 64 3HD1 LEU 64 -13.823 5.881 -10.753 513 HD21 LEU 64 3HD2 LEU 64 -12.008 2.848 -11.774 514 HD22 LEU 64 1HD2 LEU 64 -13.272 2.825 -10.541 515 HD23 LEU 64 2HD2 LEU 64 -12.103 4.146 -10.586 516 H GLU 65 H GLU 65 -11.243 1.981 -14.215 517 HA GLU 65 HA GLU 65 -10.571 4.488 -15.382 518 HB2 GLU 65 2HB GLU 65 -8.993 1.920 -15.158 519 HB3 GLU 65 3HB GLU 65 -8.335 3.418 -15.798 520 HG2 GLU 65 2HG GLU 65 -8.828 4.505 -13.622 521 HG3 GLU 65 3HG GLU 65 -9.334 2.936 -12.997 522 H HIS 66 H HIS 66 -11.925 4.670 -17.230 523 HA HIS 66 HA HIS 66 -11.141 2.997 -19.516 524 HB2 HIS 66 2HB HIS 66 -13.021 4.283 -20.693 525 HB3 HIS 66 3HB HIS 66 -13.489 3.147 -19.437 526 HD1 HIS 66 HD1 HIS 66 -14.426 4.135 -17.225 527 HD2 HIS 66 HD2 HIS 66 -13.622 6.964 -20.164 528 HE1 HIS 66 HE1 HIS 66 -15.588 6.230 -16.478 529 HE2 HIS 66 HE2 HIS 66 -15.023 7.949 -18.222 530 H HIS 67 H HIS 67 -9.115 3.777 -19.967 531 HA HIS 67 HA HIS 67 -8.700 6.637 -20.375 532 HB2 HIS 67 2HB HIS 67 -7.073 4.681 -19.387 533 HB3 HIS 67 3HB HIS 67 -6.535 4.715 -21.062 534 HD1 HIS 67 HD1 HIS 67 -6.274 6.517 -17.870 535 HD2 HIS 67 HD2 HIS 67 -5.441 7.275 -21.871 536 HE1 HIS 67 HE1 HIS 67 -4.789 8.533 -17.877 537 HE2 HIS 67 HE2 HIS 67 -4.470 9.091 -20.306 538 H HIS 68 H HIS 68 -8.186 7.577 -22.393 539 HA HIS 68 HA HIS 68 -9.600 6.517 -24.580 540 HB2 HIS 68 2HB HIS 68 -9.049 8.959 -24.082 541 HB3 HIS 68 3HB HIS 68 -7.480 8.649 -24.817 542 HD1 HIS 68 HD1 HIS 68 -11.140 8.817 -25.647 543 HD2 HIS 68 HD2 HIS 68 -7.482 8.569 -27.603 544 HE1 HIS 68 HE1 HIS 68 -11.651 9.175 -28.072 545 HE2 HIS 68 HE2 HIS 68 -9.413 9.204 -29.205 546 H HIS 69 H HIS 69 -6.446 5.785 -23.536 547 HA HIS 69 HA HIS 69 -5.913 4.398 -26.089 548 HB2 HIS 69 2HB HIS 69 -3.961 5.769 -24.236 549 HB3 HIS 69 3HB HIS 69 -3.447 4.575 -25.421 550 HD1 HIS 69 HD1 HIS 69 -3.026 5.390 -27.730 551 HD2 HIS 69 HD2 HIS 69 -5.178 8.142 -25.481 552 HE1 HIS 69 HE1 HIS 69 -3.153 7.455 -29.144 553 HE2 HIS 69 HE2 HIS 69 -4.654 9.011 -27.863 554 H HIS 70 H HIS 70 -7.169 3.664 -23.343 555 HA HIS 70 HA HIS 70 -6.291 0.961 -23.317 556 HB2 HIS 70 2HB HIS 70 -4.362 1.824 -22.119 557 HB3 HIS 70 3HB HIS 70 -5.404 2.688 -20.989 558 HD1 HIS 70 HD1 HIS 70 -5.730 1.508 -18.842 559 HD2 HIS 70 HD2 HIS 70 -4.945 -1.142 -21.945 560 HE1 HIS 70 HE1 HIS 70 -5.698 -0.765 -17.791 561 HE2 HIS 70 HE2 HIS 70 -5.486 -2.353 -19.722 562 H HIS 71 H HIS 71 -8.115 -0.104 -22.930 563 HA HIS 71 HA HIS 71 -9.920 0.822 -20.782 564 HB2 HIS 71 2HB HIS 71 -10.880 1.454 -22.956 565 HB3 HIS 71 3HB HIS 71 -10.760 -0.213 -23.505 566 HD1 HIS 71 HD1 HIS 71 -12.417 -1.929 -22.425 567 HD2 HIS 71 HD2 HIS 71 -13.108 2.035 -21.413 568 HE1 HIS 71 HE1 HIS 71 -14.721 -1.884 -21.436 569 HE2 HIS 71 HE2 HIS 71 -15.192 0.556 -21.037 Start of MODEL 9 1 H1 MET 1 1H MET 1 -26.189 -20.926 -6.479 2 H2 MET 1 2H MET 1 -25.694 -19.555 -7.339 3 H3 MET 1 3H MET 1 -27.060 -19.482 -6.346 4 HA MET 1 HA MET 1 -25.192 -18.402 -5.293 5 HB2 MET 1 2HB MET 1 -26.068 -21.008 -4.031 6 HB3 MET 1 3HB MET 1 -25.163 -19.773 -3.172 7 HG2 MET 1 2HG MET 1 -26.998 -18.190 -3.530 8 HG3 MET 1 3HG MET 1 -27.907 -19.447 -4.371 9 HE1 MET 1 3HE MET 1 -26.717 -19.801 0.082 10 HE2 MET 1 1HE MET 1 -26.244 -18.436 -0.931 11 HE3 MET 1 2HE MET 1 -25.594 -20.044 -1.253 12 HA PRO 2 HA PRO 2 -21.195 -20.419 -6.310 13 HB2 PRO 2 2HB PRO 2 -20.271 -17.888 -5.031 14 HB3 PRO 2 3HB PRO 2 -19.774 -18.625 -6.559 15 HG2 PRO 2 2HG PRO 2 -21.340 -16.463 -6.534 16 HG3 PRO 2 3HG PRO 2 -21.589 -17.755 -7.723 17 HD2 PRO 2 2HD PRO 2 -23.123 -17.166 -5.213 18 HD3 PRO 2 3HD PRO 2 -23.720 -17.677 -6.807 19 H THR 3 H THR 3 -21.161 -22.046 -4.792 20 HA THR 3 HA THR 3 -21.609 -21.616 -2.026 21 HB THR 3 HB THR 3 -20.948 -24.003 -1.728 22 HG1 THR 3 HG1 THR 3 -19.398 -24.117 -3.433 23 HG21 THR 3 3HG2 THR 3 -22.808 -24.935 -3.045 24 HG22 THR 3 1HG2 THR 3 -22.880 -23.448 -3.992 25 HG23 THR 3 2HG2 THR 3 -23.258 -23.416 -2.268 26 H LYS 4 H LYS 4 -20.061 -20.024 -1.498 27 HA LYS 4 HA LYS 4 -17.753 -21.206 -0.244 28 HB2 LYS 4 2HB LYS 4 -16.116 -19.606 -1.142 29 HB3 LYS 4 3HB LYS 4 -16.775 -20.629 -2.409 30 HG2 LYS 4 2HG LYS 4 -18.094 -18.863 -3.285 31 HG3 LYS 4 3HG LYS 4 -17.815 -17.853 -1.865 32 HD2 LYS 4 2HD LYS 4 -16.464 -17.094 -3.762 33 HD3 LYS 4 3HD LYS 4 -15.440 -17.673 -2.449 34 HE2 LYS 4 2HE LYS 4 -15.206 -19.835 -3.636 35 HE3 LYS 4 3HE LYS 4 -16.162 -19.185 -4.966 36 HZ1 LYS 4 3HZ LYS 4 -13.536 -18.165 -4.029 37 HZ2 LYS 4 1HZ LYS 4 -14.462 -17.459 -5.253 38 HZ3 LYS 4 2HZ LYS 4 -13.829 -19.010 -5.464 39 HA PRO 5 HA PRO 5 -18.940 -18.384 2.980 40 HB2 PRO 5 2HB PRO 5 -16.002 -18.155 3.483 41 HB3 PRO 5 3HB PRO 5 -17.310 -18.557 4.603 42 HG2 PRO 5 2HG PRO 5 -15.689 -20.459 3.698 43 HG3 PRO 5 3HG PRO 5 -17.427 -20.765 3.881 44 HD2 PRO 5 2HD PRO 5 -15.849 -20.222 1.394 45 HD3 PRO 5 3HD PRO 5 -17.201 -21.345 1.649 46 HA PRO 6 HA PRO 6 -18.410 -14.318 1.168 47 HB2 PRO 6 2HB PRO 6 -19.159 -12.821 3.350 48 HB3 PRO 6 3HB PRO 6 -20.301 -13.622 2.265 49 HG2 PRO 6 2HG PRO 6 -19.263 -14.534 4.927 50 HG3 PRO 6 3HG PRO 6 -20.920 -14.592 4.294 51 HD2 PRO 6 2HD PRO 6 -19.345 -16.773 4.316 52 HD3 PRO 6 3HD PRO 6 -20.489 -16.470 2.990 53 H TYR 7 H TYR 7 -17.401 -12.097 1.971 54 HA TYR 7 HA TYR 7 -15.448 -10.994 2.381 55 HB2 TYR 7 2HB TYR 7 -15.972 -11.512 4.730 56 HB3 TYR 7 3HB TYR 7 -15.175 -13.071 4.581 57 HD1 TYR 7 HD1 TYR 7 -14.547 -9.400 4.499 58 HD2 TYR 7 HD2 TYR 7 -12.874 -13.282 5.031 59 HE1 TYR 7 HE1 TYR 7 -12.449 -8.388 5.283 60 HE2 TYR 7 HE2 TYR 7 -10.774 -12.276 5.811 61 HH TYR 7 HH TYR 7 -9.566 -10.122 5.566 62 HA PRO 8 HA PRO 8 -13.080 -14.370 0.186 63 HB2 PRO 8 2HB PRO 8 -13.612 -13.848 -2.358 64 HB3 PRO 8 3HB PRO 8 -14.842 -14.592 -1.326 65 HG2 PRO 8 2HG PRO 8 -14.591 -11.743 -2.223 66 HG3 PRO 8 3HG PRO 8 -16.045 -12.745 -2.072 67 HD2 PRO 8 2HD PRO 8 -15.121 -10.896 -0.177 68 HD3 PRO 8 3HD PRO 8 -16.320 -12.170 0.116 69 H ARG 9 H ARG 9 -12.681 -11.100 0.530 70 HA ARG 9 HA ARG 9 -9.942 -11.183 -0.295 71 HB2 ARG 9 2HB ARG 9 -10.031 -9.421 -2.002 72 HB3 ARG 9 3HB ARG 9 -10.953 -10.834 -2.499 73 HG2 ARG 9 2HG ARG 9 -13.033 -9.717 -1.913 74 HG3 ARG 9 3HG ARG 9 -12.133 -8.316 -1.328 75 HD2 ARG 9 2HD ARG 9 -11.207 -8.027 -3.624 76 HD3 ARG 9 3HD ARG 9 -12.261 -9.334 -4.170 77 HE ARG 9 HE ARG 9 -14.059 -7.727 -3.112 78 HH11 ARG 9 1HH1 ARG 9 -11.357 -6.885 -5.078 79 HH12 ARG 9 2HH1 ARG 9 -12.108 -5.451 -5.675 80 HH21 ARG 9 1HH2 ARG 9 -15.009 -5.893 -3.894 81 HH22 ARG 9 2HH2 ARG 9 -14.153 -4.902 -5.028 82 H GLU 10 H GLU 10 -8.712 -9.551 0.605 83 HA GLU 10 HA GLU 10 -9.949 -7.100 1.535 84 HB2 GLU 10 2HB GLU 10 -9.615 -9.189 3.383 85 HB3 GLU 10 3HB GLU 10 -8.252 -8.124 3.684 86 HG2 GLU 10 2HG GLU 10 -11.125 -7.212 3.617 87 HG3 GLU 10 3HG GLU 10 -10.268 -7.678 5.082 88 H ALA 11 H ALA 11 -8.418 -5.422 1.918 89 HA ALA 11 HA ALA 11 -5.692 -5.996 0.926 90 HB1 ALA 11 3HB ALA 11 -6.949 -4.511 -0.551 91 HB2 ALA 11 1HB ALA 11 -5.597 -3.657 0.197 92 HB3 ALA 11 2HB ALA 11 -7.240 -3.403 0.792 93 H TYR 12 H TYR 12 -3.980 -4.495 1.832 94 HA TYR 12 HA TYR 12 -4.564 -3.228 4.367 95 HB2 TYR 12 2HB TYR 12 -2.930 -4.544 5.684 96 HB3 TYR 12 3HB TYR 12 -4.304 -5.501 5.151 97 HD1 TYR 12 HD1 TYR 12 -3.972 -6.999 3.077 98 HD2 TYR 12 HD2 TYR 12 -0.741 -5.262 5.242 99 HE1 TYR 12 HE1 TYR 12 -2.444 -8.680 2.137 100 HE2 TYR 12 HE2 TYR 12 0.794 -6.934 4.300 101 HH TYR 12 HH TYR 12 -0.069 -8.968 1.707 102 H ILE 13 H ILE 13 -3.016 -1.767 5.057 103 HA ILE 13 HA ILE 13 -1.163 -0.942 2.938 104 HB ILE 13 HB ILE 13 -2.104 0.602 5.364 105 HG12 ILE 13 2HG1 ILE 13 -3.055 0.776 2.487 106 HG13 ILE 13 3HG1 ILE 13 -3.952 0.019 3.800 107 HG21 ILE 13 1HG2 ILE 13 -0.644 1.512 2.876 108 HG22 ILE 13 2HG2 ILE 13 0.028 1.413 4.505 109 HG23 ILE 13 3HG2 ILE 13 -1.255 2.570 4.150 110 HD11 ILE 13 3HD1 ILE 13 -4.803 2.233 3.327 111 HD12 ILE 13 1HD1 ILE 13 -3.207 2.932 3.602 112 HD13 ILE 13 2HD1 ILE 13 -4.088 2.184 4.938 113 H VAL 14 H VAL 14 0.875 -1.668 3.154 114 HA VAL 14 HA VAL 14 2.113 -1.803 5.832 115 HB VAL 14 HB VAL 14 3.016 -3.082 3.234 116 HG11 VAL 14 1HG1 VAL 14 4.128 -3.391 6.030 117 HG12 VAL 14 2HG1 VAL 14 4.914 -2.560 4.686 118 HG13 VAL 14 3HG1 VAL 14 4.643 -4.299 4.608 119 HG21 VAL 14 3HG2 VAL 14 1.752 -4.327 5.680 120 HG22 VAL 14 1HG2 VAL 14 2.354 -5.201 4.270 121 HG23 VAL 14 2HG2 VAL 14 0.979 -4.109 4.111 122 H THR 15 H THR 15 3.654 -0.341 6.367 123 HA THR 15 HA THR 15 4.516 1.614 4.385 124 HB THR 15 HB THR 15 5.517 2.825 6.264 125 HG1 THR 15 HG1 THR 15 6.215 1.359 7.711 126 HG21 THR 15 3HG2 THR 15 3.475 3.292 7.546 127 HG22 THR 15 1HG2 THR 15 2.736 1.825 6.902 128 HG23 THR 15 2HG2 THR 15 3.129 3.164 5.821 129 H ILE 16 H ILE 16 6.403 1.505 3.310 130 HA ILE 16 HA ILE 16 8.534 -0.246 4.383 131 HB ILE 16 HB ILE 16 9.305 -0.604 2.100 132 HG12 ILE 16 2HG1 ILE 16 6.893 1.016 1.218 133 HG13 ILE 16 3HG1 ILE 16 8.555 1.593 1.179 134 HG21 ILE 16 1HG2 ILE 16 7.441 -1.973 1.281 135 HG22 ILE 16 2HG2 ILE 16 6.347 -1.152 2.395 136 HG23 ILE 16 3HG2 ILE 16 7.657 -2.155 3.024 137 HD11 ILE 16 3HD1 ILE 16 7.490 -0.759 -0.359 138 HD12 ILE 16 1HD1 ILE 16 9.135 -0.132 -0.421 139 HD13 ILE 16 2HD1 ILE 16 7.792 0.850 -1.008 140 H GLU 17 H GLU 17 10.733 0.389 4.040 141 HA GLU 17 HA GLU 17 11.070 3.310 4.063 142 HB2 GLU 17 2HB GLU 17 12.983 1.141 4.956 143 HB3 GLU 17 3HB GLU 17 13.218 2.872 5.156 144 HG2 GLU 17 2HG GLU 17 10.999 1.262 6.415 145 HG3 GLU 17 3HG GLU 17 12.486 1.749 7.223 146 H LYS 18 H LYS 18 11.528 4.117 2.090 147 HA LYS 18 HA LYS 18 13.487 2.711 0.381 148 HB2 LYS 18 2HB LYS 18 11.562 4.955 -0.299 149 HB3 LYS 18 3HB LYS 18 12.724 4.263 -1.419 150 HG2 LYS 18 2HG LYS 18 11.568 2.072 -1.197 151 HG3 LYS 18 3HG LYS 18 10.356 2.858 -0.178 152 HD2 LYS 18 2HD LYS 18 9.906 4.442 -2.070 153 HD3 LYS 18 3HD LYS 18 10.997 3.483 -3.066 154 HE2 LYS 18 2HE LYS 18 8.516 2.400 -1.731 155 HE3 LYS 18 3HE LYS 18 8.574 2.975 -3.392 156 HZ1 LYS 18 3HZ LYS 18 8.777 0.590 -3.315 157 HZ2 LYS 18 1HZ LYS 18 10.118 0.686 -2.286 158 HZ3 LYS 18 2HZ LYS 18 10.232 1.261 -3.870 159 H GLY 19 H GLY 19 14.839 4.433 -0.970 160 HA2 GLY 19 2HA GLY 19 16.073 6.427 -1.048 161 HA3 GLY 19 3HA GLY 19 15.472 6.841 0.548 162 H LYS 20 H LYS 20 17.261 7.222 1.712 163 HA LYS 20 HA LYS 20 19.570 5.405 1.481 164 HB2 LYS 20 2HB LYS 20 19.365 8.162 2.719 165 HB3 LYS 20 3HB LYS 20 20.839 7.211 2.584 166 HG2 LYS 20 2HG LYS 20 20.769 7.359 0.172 167 HG3 LYS 20 3HG LYS 20 19.215 8.195 0.240 168 HD2 LYS 20 2HD LYS 20 21.063 9.764 -0.136 169 HD3 LYS 20 3HD LYS 20 20.263 10.073 1.406 170 HE2 LYS 20 2HE LYS 20 22.673 10.219 1.664 171 HE3 LYS 20 3HE LYS 20 22.050 8.840 2.565 172 HZ1 LYS 20 3HZ LYS 20 24.058 8.266 1.366 173 HZ2 LYS 20 1HZ LYS 20 23.354 8.723 -0.100 174 HZ3 LYS 20 2HZ LYS 20 22.749 7.395 0.752 175 HA PRO 21 HA PRO 21 19.154 3.892 5.737 176 HB2 PRO 21 2HB PRO 21 22.045 4.544 6.054 177 HB3 PRO 21 3HB PRO 21 21.201 3.015 6.321 178 HG2 PRO 21 2HG PRO 21 22.761 3.351 4.182 179 HG3 PRO 21 3HG PRO 21 21.237 2.448 4.061 180 HD2 PRO 21 2HD PRO 21 21.847 5.264 3.210 181 HD3 PRO 21 3HD PRO 21 20.870 4.026 2.387 182 H GLY 22 H GLY 22 18.508 4.959 7.572 183 HA2 GLY 22 2HA GLY 22 18.382 6.632 9.189 184 HA3 GLY 22 3HA GLY 22 19.767 7.417 8.447 185 H GLN 23 H GLN 23 19.183 8.296 6.124 186 HA GLN 23 HA GLN 23 16.806 9.957 6.379 187 HB2 GLN 23 2HB GLN 23 18.986 9.890 4.277 188 HB3 GLN 23 3HB GLN 23 17.637 11.020 4.265 189 HG2 GLN 23 2HG GLN 23 19.723 10.810 6.439 190 HG3 GLN 23 3HG GLN 23 19.700 12.015 5.156 191 HE21 GLN 23 1HE2 GLN 23 18.214 10.962 8.115 192 HE22 GLN 23 2HE2 GLN 23 17.298 12.397 8.395 193 H THR 24 H THR 24 15.349 8.116 6.257 194 HA THR 24 HA THR 24 15.104 6.774 3.665 195 HB THR 24 HB THR 24 13.354 5.400 4.781 196 HG1 THR 24 HG1 THR 24 12.768 5.785 6.838 197 HG21 THR 24 3HG2 THR 24 14.854 4.194 6.309 198 HG22 THR 24 1HG2 THR 24 15.978 5.555 6.276 199 HG23 THR 24 2HG2 THR 24 15.668 4.626 4.808 200 H VAL 25 H VAL 25 12.986 6.502 2.694 201 HA VAL 25 HA VAL 25 11.070 8.686 3.229 202 HB VAL 25 HB VAL 25 11.526 7.333 0.549 203 HG11 VAL 25 1HG1 VAL 25 10.092 9.137 -0.325 204 HG12 VAL 25 2HG1 VAL 25 9.851 9.734 1.316 205 HG13 VAL 25 3HG1 VAL 25 9.245 8.142 0.858 206 HG21 VAL 25 3HG2 VAL 25 12.549 9.452 -0.176 207 HG22 VAL 25 1HG2 VAL 25 13.468 8.701 1.131 208 HG23 VAL 25 2HG2 VAL 25 12.414 10.076 1.468 209 H THR 26 H THR 26 9.360 7.802 4.265 210 HA THR 26 HA THR 26 8.779 4.987 4.097 211 HB THR 26 HB THR 26 7.205 7.170 5.484 212 HG1 THR 26 HG1 THR 26 9.204 5.373 6.475 213 HG21 THR 26 3HG2 THR 26 6.278 5.324 6.833 214 HG22 THR 26 1HG2 THR 26 7.133 4.163 5.821 215 HG23 THR 26 2HG2 THR 26 5.855 5.163 5.129 216 H TRP 27 H TRP 27 7.666 4.103 2.496 217 HA TRP 27 HA TRP 27 5.520 5.644 1.180 218 HB2 TRP 27 2HB TRP 27 7.337 3.451 0.211 219 HB3 TRP 27 3HB TRP 27 5.802 3.750 -0.596 220 HD1 TRP 27 HD1 TRP 27 9.128 5.561 0.197 221 HE1 TRP 27 HE1 TRP 27 9.498 7.375 -1.594 222 HE3 TRP 27 HE3 TRP 27 4.705 5.134 -2.320 223 HZ2 TRP 27 HZ2 TRP 27 8.104 8.479 -3.774 224 HZ3 TRP 27 HZ3 TRP 27 4.297 6.606 -4.249 225 HH2 TRP 27 HH2 TRP 27 5.963 8.245 -4.960 226 H TYR 28 H TYR 28 3.468 4.858 1.042 227 HA TYR 28 HA TYR 28 2.809 2.589 2.759 228 HB2 TYR 28 2HB TYR 28 1.042 4.633 1.383 229 HB3 TYR 28 3HB TYR 28 0.463 3.366 2.461 230 HD1 TYR 28 HD2 TYR 28 2.650 6.376 2.331 231 HD2 TYR 28 HD1 TYR 28 0.435 3.709 4.806 232 HE1 TYR 28 HE2 TYR 28 3.011 7.863 4.255 233 HE2 TYR 28 HE1 TYR 28 0.796 5.190 6.733 234 HH TYR 28 HH TYR 28 2.365 6.902 7.460 235 H GLN 29 H GLN 29 2.751 0.630 1.858 236 HA GLN 29 HA GLN 29 2.035 0.308 -0.968 237 HB2 GLN 29 2HB GLN 29 3.248 -1.602 1.037 238 HB3 GLN 29 3HB GLN 29 2.743 -2.092 -0.571 239 HG2 GLN 29 2HG GLN 29 4.330 -0.337 -1.467 240 HG3 GLN 29 3HG GLN 29 4.953 -0.199 0.179 241 HE21 GLN 29 1HE2 GLN 29 6.280 -1.125 -2.262 242 HE22 GLN 29 2HE2 GLN 29 6.841 -2.720 -1.911 243 H LEU 30 H LEU 30 -0.063 -0.047 -1.407 244 HA LEU 30 HA LEU 30 -1.785 -1.396 0.508 245 HB2 LEU 30 2HB LEU 30 -2.623 0.492 -0.869 246 HB3 LEU 30 3HB LEU 30 -2.376 -0.471 -2.315 247 HG LEU 30 HG LEU 30 -4.053 -2.111 -1.475 248 HD11 LEU 30 1HD1 LEU 30 -3.809 -1.674 0.921 249 HD12 LEU 30 2HD1 LEU 30 -5.487 -1.510 0.407 250 HD13 LEU 30 3HD1 LEU 30 -4.512 -0.070 0.705 251 HD21 LEU 30 3HD2 LEU 30 -5.043 0.737 -1.679 252 HD22 LEU 30 1HD2 LEU 30 -6.021 -0.717 -1.892 253 HD23 LEU 30 2HD2 LEU 30 -4.725 -0.352 -3.031 254 H ARG 31 H ARG 31 -1.354 -3.541 0.697 255 HA ARG 31 HA ARG 31 -1.039 -5.163 -1.752 256 HB2 ARG 31 2HB ARG 31 -0.493 -5.916 1.135 257 HB3 ARG 31 3HB ARG 31 -0.165 -6.919 -0.274 258 HG2 ARG 31 2HG ARG 31 1.472 -5.266 -1.062 259 HG3 ARG 31 3HG ARG 31 1.156 -4.281 0.371 260 HD2 ARG 31 2HD ARG 31 1.870 -6.215 1.780 261 HD3 ARG 31 3HD ARG 31 2.301 -7.078 0.303 262 HE ARG 31 HE ARG 31 3.605 -4.565 0.397 263 HH11 ARG 31 1HH1 ARG 31 3.744 -7.766 1.697 264 HH12 ARG 31 2HH1 ARG 31 5.416 -7.631 2.106 265 HH21 ARG 31 1HH2 ARG 31 5.755 -4.430 0.910 266 HH22 ARG 31 2HH2 ARG 31 6.548 -5.775 1.657 267 H ALA 32 H ALA 32 -2.354 -7.035 -2.072 268 HA ALA 32 HA ALA 32 -4.780 -7.111 -0.385 269 HB1 ALA 32 3HB ALA 32 -4.676 -7.446 -3.381 270 HB2 ALA 32 1HB ALA 32 -5.278 -6.032 -2.509 271 HB3 ALA 32 2HB ALA 32 -6.115 -7.580 -2.370 272 H ASP 33 H ASP 33 -5.836 -9.111 -0.146 273 HA ASP 33 HA ASP 33 -4.034 -11.225 0.338 274 HB2 ASP 33 2HB ASP 33 -6.042 -10.721 1.703 275 HB3 ASP 33 3HB ASP 33 -7.056 -11.301 0.385 276 H HIS 34 H HIS 34 -6.031 -10.578 -2.455 277 HA HIS 34 HA HIS 34 -5.369 -13.259 -3.520 278 HB2 HIS 34 2HB HIS 34 -7.884 -11.637 -3.969 279 HB3 HIS 34 3HB HIS 34 -7.468 -13.069 -4.902 280 HD1 HIS 34 HD1 HIS 34 -8.324 -15.219 -3.999 281 HD2 HIS 34 HD2 HIS 34 -8.167 -12.270 -1.075 282 HE1 HIS 34 HE1 HIS 34 -9.368 -16.241 -1.961 283 HE2 HIS 34 HE2 HIS 34 -9.439 -14.374 -0.275 284 HA PRO 35 HA PRO 35 -5.465 -14.334 -5.541 285 HB2 PRO 35 2HB PRO 35 -3.447 -15.168 -7.135 286 HB3 PRO 35 3HB PRO 35 -4.933 -14.465 -7.786 287 HG2 PRO 35 2HG PRO 35 -2.271 -13.162 -7.323 288 HG3 PRO 35 3HG PRO 35 -3.331 -13.059 -8.741 289 HD2 PRO 35 2HD PRO 35 -3.242 -11.128 -6.831 290 HD3 PRO 35 3HD PRO 35 -4.713 -11.496 -7.755 291 H LYS 36 H LYS 36 -2.360 -12.728 -4.986 292 HA LYS 36 HA LYS 36 -1.784 -14.740 -2.901 293 HB2 LYS 36 2HB LYS 36 0.226 -13.179 -4.551 294 HB3 LYS 36 3HB LYS 36 0.631 -14.228 -3.198 295 HG2 LYS 36 2HG LYS 36 -0.530 -16.088 -4.531 296 HG3 LYS 36 3HG LYS 36 -0.435 -14.983 -5.904 297 HD2 LYS 36 2HD LYS 36 1.897 -15.993 -4.264 298 HD3 LYS 36 3HD LYS 36 1.455 -16.542 -5.879 299 HE2 LYS 36 2HE LYS 36 2.307 -13.740 -5.146 300 HE3 LYS 36 3HE LYS 36 3.325 -14.950 -5.922 301 HZ1 LYS 36 3HZ LYS 36 2.464 -13.465 -7.568 302 HZ2 LYS 36 1HZ LYS 36 0.873 -13.709 -7.055 303 HZ3 LYS 36 2HZ LYS 36 1.730 -14.970 -7.784 304 HA PRO 37 HA PRO 37 -2.402 -11.749 0.138 305 HB2 PRO 37 2HB PRO 37 -0.209 -12.180 1.818 306 HB3 PRO 37 3HB PRO 37 -1.738 -13.061 1.855 307 HG2 PRO 37 2HG PRO 37 0.851 -13.804 0.557 308 HG3 PRO 37 3HG PRO 37 -0.317 -14.833 1.412 309 HD2 PRO 37 2HD PRO 37 -0.174 -14.830 -1.257 310 HD3 PRO 37 3HD PRO 37 -1.743 -14.951 -0.431 311 H ASP 38 H ASP 38 0.875 -11.698 -1.223 312 HA ASP 38 HA ASP 38 1.208 -8.929 -0.288 313 HB2 ASP 38 2HB ASP 38 3.207 -10.886 -1.441 314 HB3 ASP 38 3HB ASP 38 3.591 -9.230 -0.970 315 H SER 39 H SER 39 -0.434 -9.907 -2.719 316 HA SER 39 HA SER 39 0.762 -8.824 -5.035 317 HB2 SER 39 2HB SER 39 -2.135 -9.214 -4.266 318 HB3 SER 39 3HB SER 39 -1.670 -8.494 -5.809 319 HG SER 39 HG SER 39 -1.207 -10.407 -6.523 320 H LEU 40 H LEU 40 1.666 -6.873 -4.943 321 HA LEU 40 HA LEU 40 0.645 -4.706 -3.400 322 HB2 LEU 40 2HB LEU 40 3.018 -4.966 -3.763 323 HB3 LEU 40 3HB LEU 40 2.808 -4.847 -5.501 324 HG LEU 40 HG LEU 40 2.152 -2.499 -5.287 325 HD11 LEU 40 1HD1 LEU 40 2.639 -2.860 -2.328 326 HD12 LEU 40 2HD1 LEU 40 1.077 -2.586 -3.100 327 HD13 LEU 40 3HD1 LEU 40 2.313 -1.329 -3.145 328 HD21 LEU 40 3HD2 LEU 40 4.314 -1.591 -4.590 329 HD22 LEU 40 1HD2 LEU 40 4.517 -3.032 -5.583 330 HD23 LEU 40 2HD2 LEU 40 4.727 -3.128 -3.835 331 H ILE 41 H ILE 41 -1.242 -3.789 -3.972 332 HA ILE 41 HA ILE 41 -2.208 -3.441 -6.608 333 HB ILE 41 HB ILE 41 -2.940 -1.860 -4.127 334 HG12 ILE 41 2HG1 ILE 41 -3.242 -4.277 -3.794 335 HG13 ILE 41 3HG1 ILE 41 -4.795 -3.453 -3.876 336 HG21 ILE 41 1HG2 ILE 41 -4.437 -2.233 -6.723 337 HG22 ILE 41 2HG2 ILE 41 -3.692 -0.743 -6.145 338 HG23 ILE 41 3HG2 ILE 41 -5.069 -1.430 -5.285 339 HD11 ILE 41 3HD1 ILE 41 -4.858 -5.552 -5.079 340 HD12 ILE 41 1HD1 ILE 41 -3.508 -5.036 -6.092 341 HD13 ILE 41 2HD1 ILE 41 -5.059 -4.201 -6.195 342 H SER 42 H SER 42 -0.762 -1.053 -4.351 343 HA SER 42 HA SER 42 0.653 0.315 -6.414 344 HB2 SER 42 2HB SER 42 -1.547 1.160 -7.027 345 HB3 SER 42 3HB SER 42 -1.852 1.669 -5.368 346 HG SER 42 HG SER 42 0.177 2.682 -7.091 347 H GLU 43 H GLU 43 2.069 1.909 -5.637 348 HA GLU 43 HA GLU 43 2.306 2.100 -2.701 349 HB2 GLU 43 2HB GLU 43 4.327 2.766 -4.862 350 HB3 GLU 43 3HB GLU 43 4.618 2.851 -3.131 351 HG2 GLU 43 2HG GLU 43 4.387 0.462 -2.928 352 HG3 GLU 43 3HG GLU 43 3.927 0.326 -4.625 353 H HIS 44 H HIS 44 1.784 3.969 -1.703 354 HA HIS 44 HA HIS 44 1.822 6.487 -3.255 355 HB2 HIS 44 2HB HIS 44 -0.319 5.557 -1.328 356 HB3 HIS 44 3HB HIS 44 -0.185 7.211 -1.913 357 HD1 HIS 44 HD1 HIS 44 -0.987 7.704 -4.282 358 HD2 HIS 44 HD2 HIS 44 -1.188 3.674 -3.268 359 HE1 HIS 44 HE1 HIS 44 -2.336 6.618 -6.094 360 HE2 HIS 44 HE2 HIS 44 -2.344 4.172 -5.530 361 HA PRO 45 HA PRO 45 4.182 8.105 0.144 362 HB2 PRO 45 2HB PRO 45 3.786 10.766 -0.180 363 HB3 PRO 45 3HB PRO 45 4.765 9.810 -1.301 364 HG2 PRO 45 2HG PRO 45 1.911 10.700 -1.568 365 HG3 PRO 45 3HG PRO 45 3.207 10.732 -2.778 366 HD2 PRO 45 2HD PRO 45 1.308 8.788 -2.710 367 HD3 PRO 45 3HD PRO 45 2.962 8.494 -3.285 368 H THR 46 H THR 46 0.752 8.810 -0.083 369 HA THR 46 HA THR 46 0.710 9.458 2.810 370 HB THR 46 HB THR 46 -1.313 10.736 2.495 371 HG1 THR 46 HG1 THR 46 -1.267 10.541 -0.299 372 HG21 THR 46 3HG2 THR 46 0.711 11.494 0.374 373 HG22 THR 46 1HG2 THR 46 0.768 11.961 2.073 374 HG23 THR 46 2HG2 THR 46 -0.526 12.559 1.036 375 H ALA 47 H ALA 47 -0.963 8.565 4.094 376 HA ALA 47 HA ALA 47 -1.841 5.952 3.397 377 HB1 ALA 47 3HB ALA 47 -3.077 6.012 5.509 378 HB2 ALA 47 1HB ALA 47 -2.789 7.747 5.636 379 HB3 ALA 47 2HB ALA 47 -1.435 6.619 5.715 380 H GLN 48 H GLN 48 -3.383 9.121 3.278 381 HA GLN 48 HA GLN 48 -6.052 8.433 2.985 382 HB2 GLN 48 2HB GLN 48 -5.347 10.740 3.249 383 HB3 GLN 48 3HB GLN 48 -4.521 10.707 1.698 384 HG2 GLN 48 2HG GLN 48 -6.613 11.914 1.530 385 HG3 GLN 48 3HG GLN 48 -6.671 10.449 0.552 386 HE21 GLN 48 1HE2 GLN 48 -8.023 8.765 1.184 387 HE22 GLN 48 2HE2 GLN 48 -9.285 8.989 2.341 388 H GLU 49 H GLU 49 -3.633 8.815 0.385 389 HA GLU 49 HA GLU 49 -5.277 8.178 -1.791 390 HB2 GLU 49 2HB GLU 49 -2.317 7.700 -1.396 391 HB3 GLU 49 3HB GLU 49 -3.141 7.570 -2.943 392 HG2 GLU 49 2HG GLU 49 -3.712 9.929 -2.873 393 HG3 GLU 49 3HG GLU 49 -2.977 10.075 -1.276 394 H ALA 50 H ALA 50 -3.308 6.040 0.262 395 HA ALA 50 HA ALA 50 -3.871 3.641 -1.148 396 HB1 ALA 50 3HB ALA 50 -3.019 3.981 1.728 397 HB2 ALA 50 1HB ALA 50 -1.937 3.898 0.339 398 HB3 ALA 50 2HB ALA 50 -2.915 2.498 0.777 399 H MET 51 H MET 51 -5.397 5.161 1.678 400 HA MET 51 HA MET 51 -7.241 3.093 2.238 401 HB2 MET 51 2HB MET 51 -7.395 6.066 2.797 402 HB3 MET 51 3HB MET 51 -8.527 4.883 3.436 403 HG2 MET 51 2HG MET 51 -6.718 3.776 4.636 404 HG3 MET 51 3HG MET 51 -5.561 4.933 3.974 405 HE1 MET 51 3HE MET 51 -5.956 4.284 7.126 406 HE2 MET 51 1HE MET 51 -5.806 5.915 7.781 407 HE3 MET 51 2HE MET 51 -4.739 5.388 6.481 408 H ASP 52 H ASP 52 -7.514 6.021 0.234 409 HA ASP 52 HA ASP 52 -10.134 5.754 -0.660 410 HB2 ASP 52 2HB ASP 52 -8.767 7.719 -1.144 411 HB3 ASP 52 3HB ASP 52 -7.694 6.759 -2.157 412 H ALA 53 H ALA 53 -7.163 4.432 -2.119 413 HA ALA 53 HA ALA 53 -8.393 3.027 -4.221 414 HB1 ALA 53 3HB ALA 53 -5.785 2.435 -2.814 415 HB2 ALA 53 1HB ALA 53 -6.005 3.519 -4.187 416 HB3 ALA 53 2HB ALA 53 -6.279 1.788 -4.379 417 H LYS 54 H LYS 54 -7.735 2.113 -0.874 418 HA LYS 54 HA LYS 54 -8.302 -0.641 -1.086 419 HB2 LYS 54 2HB LYS 54 -7.147 0.466 0.833 420 HB3 LYS 54 3HB LYS 54 -8.692 1.140 1.333 421 HG2 LYS 54 2HG LYS 54 -9.570 -1.047 1.788 422 HG3 LYS 54 3HG LYS 54 -8.135 -1.816 1.103 423 HD2 LYS 54 2HD LYS 54 -6.768 -0.753 2.880 424 HD3 LYS 54 3HD LYS 54 -8.241 -0.091 3.586 425 HE2 LYS 54 2HE LYS 54 -7.601 -3.017 3.229 426 HE3 LYS 54 3HE LYS 54 -7.523 -2.121 4.744 427 HZ1 LYS 54 3HZ LYS 54 -9.868 -1.823 4.714 428 HZ2 LYS 54 1HZ LYS 54 -9.567 -3.463 4.435 429 HZ3 LYS 54 2HZ LYS 54 -10.004 -2.452 3.154 430 H LYS 55 H LYS 55 -10.442 1.985 0.139 431 HA LYS 55 HA LYS 55 -12.791 0.449 0.253 432 HB2 LYS 55 2HB LYS 55 -12.310 3.404 -0.042 433 HB3 LYS 55 3HB LYS 55 -13.940 2.765 -0.158 434 HG2 LYS 55 2HG LYS 55 -13.838 3.351 2.055 435 HG3 LYS 55 3HG LYS 55 -13.392 1.648 2.128 436 HD2 LYS 55 2HD LYS 55 -11.049 2.223 2.316 437 HD3 LYS 55 3HD LYS 55 -11.411 3.933 2.067 438 HE2 LYS 55 2HE LYS 55 -12.808 3.856 4.148 439 HE3 LYS 55 3HE LYS 55 -12.222 2.217 4.419 440 HZ1 LYS 55 3HZ LYS 55 -10.560 4.675 4.297 441 HZ2 LYS 55 1HZ LYS 55 -9.962 3.106 4.507 442 HZ3 LYS 55 2HZ LYS 55 -10.948 3.799 5.691 443 H ARG 56 H ARG 56 -11.440 2.373 -2.401 444 HA ARG 56 HA ARG 56 -13.613 2.075 -4.185 445 HB2 ARG 56 2HB ARG 56 -11.711 3.775 -4.251 446 HB3 ARG 56 3HB ARG 56 -10.734 2.512 -4.985 447 HG2 ARG 56 2HG ARG 56 -12.185 2.409 -6.891 448 HG3 ARG 56 3HG ARG 56 -13.342 3.503 -6.126 449 HD2 ARG 56 2HD ARG 56 -10.541 4.151 -7.047 450 HD3 ARG 56 3HD ARG 56 -12.053 4.758 -7.723 451 HE ARG 56 HE ARG 56 -10.710 5.678 -5.328 452 HH11 ARG 56 1HH1 ARG 56 -13.688 5.626 -7.077 453 HH12 ARG 56 2HH1 ARG 56 -14.267 7.074 -6.334 454 HH21 ARG 56 1HH2 ARG 56 -11.476 7.521 -4.382 455 HH22 ARG 56 2HH2 ARG 56 -13.033 8.133 -4.827 456 H TYR 57 H TYR 57 -10.804 0.088 -3.525 457 HA TYR 57 HA TYR 57 -11.036 -1.695 -5.722 458 HB2 TYR 57 2HB TYR 57 -8.976 -1.569 -4.465 459 HB3 TYR 57 3HB TYR 57 -9.800 -1.996 -2.973 460 HD1 TYR 57 HD1 TYR 57 -8.933 -3.351 -6.341 461 HD2 TYR 57 HD2 TYR 57 -9.877 -4.233 -2.280 462 HE1 TYR 57 HE1 TYR 57 -8.377 -5.713 -6.726 463 HE2 TYR 57 HE2 TYR 57 -9.323 -6.596 -2.659 464 HH TYR 57 HH TYR 57 -7.671 -7.679 -5.402 465 H GLU 58 H GLU 58 -12.345 -1.737 -2.423 466 HA GLU 58 HA GLU 58 -13.671 -4.264 -2.756 467 HB2 GLU 58 2HB GLU 58 -13.773 -2.147 -0.611 468 HB3 GLU 58 3HB GLU 58 -14.787 -3.582 -0.554 469 HG2 GLU 58 2HG GLU 58 -11.773 -3.558 -0.620 470 HG3 GLU 58 3HG GLU 58 -12.774 -3.834 0.806 471 H ASP 59 H ASP 59 -14.454 -1.176 -3.865 472 HA ASP 59 HA ASP 59 -17.212 -1.002 -3.491 473 HB2 ASP 59 2HB ASP 59 -15.837 0.818 -4.413 474 HB3 ASP 59 3HB ASP 59 -15.598 -0.101 -5.896 475 HA PRO 60 HA PRO 60 -18.277 -4.639 -5.877 476 HB2 PRO 60 2HB PRO 60 -20.778 -4.962 -4.969 477 HB3 PRO 60 3HB PRO 60 -19.371 -5.249 -3.939 478 HG2 PRO 60 2HG PRO 60 -21.213 -2.900 -4.020 479 HG3 PRO 60 3HG PRO 60 -20.458 -3.685 -2.623 480 HD2 PRO 60 2HD PRO 60 -19.546 -1.354 -3.854 481 HD3 PRO 60 3HD PRO 60 -18.585 -2.396 -2.786 482 H ASP 61 H ASP 61 -18.151 -3.486 -7.930 483 HA ASP 61 HA ASP 61 -20.597 -2.442 -9.069 484 HB2 ASP 61 2HB ASP 61 -18.421 -1.580 -9.800 485 HB3 ASP 61 3HB ASP 61 -17.939 -3.184 -10.338 486 H LYS 62 H LYS 62 -22.180 -4.017 -9.088 487 HA LYS 62 HA LYS 62 -21.785 -6.369 -10.766 488 HB2 LYS 62 2HB LYS 62 -20.987 -7.268 -8.719 489 HB3 LYS 62 3HB LYS 62 -22.262 -6.499 -7.792 490 HG2 LYS 62 2HG LYS 62 -22.680 -8.856 -7.903 491 HG3 LYS 62 3HG LYS 62 -23.909 -8.015 -8.844 492 HD2 LYS 62 2HD LYS 62 -22.717 -8.579 -10.912 493 HD3 LYS 62 3HD LYS 62 -21.461 -9.391 -9.972 494 HE2 LYS 62 2HE LYS 62 -23.114 -10.995 -9.136 495 HE3 LYS 62 3HE LYS 62 -24.383 -10.173 -10.044 496 HZ1 LYS 62 3HZ LYS 62 -22.015 -11.511 -11.237 497 HZ2 LYS 62 1HZ LYS 62 -23.265 -10.760 -12.090 498 HZ3 LYS 62 2HZ LYS 62 -23.576 -12.153 -11.184 499 H GLU 63 H GLU 63 -23.503 -6.315 -12.080 500 HA GLU 63 HA GLU 63 -26.107 -5.377 -11.323 501 HB2 GLU 63 2HB GLU 63 -25.272 -7.086 -13.690 502 HB3 GLU 63 3HB GLU 63 -26.817 -6.266 -13.515 503 HG2 GLU 63 2HG GLU 63 -24.145 -4.879 -13.671 504 HG3 GLU 63 3HG GLU 63 -25.235 -5.120 -15.033 505 H LEU 64 H LEU 64 -27.589 -6.516 -10.130 506 HA LEU 64 HA LEU 64 -27.674 -9.429 -10.393 507 HB2 LEU 64 2HB LEU 64 -27.737 -9.660 -7.870 508 HB3 LEU 64 3HB LEU 64 -26.181 -9.316 -8.598 509 HG LEU 64 HG LEU 64 -26.556 -6.879 -7.978 510 HD11 LEU 64 1HD1 LEU 64 -28.752 -8.054 -6.273 511 HD12 LEU 64 2HD1 LEU 64 -28.959 -6.926 -7.612 512 HD13 LEU 64 3HD1 LEU 64 -28.117 -6.414 -6.151 513 HD21 LEU 64 3HD2 LEU 64 -25.031 -8.348 -6.765 514 HD22 LEU 64 1HD2 LEU 64 -26.360 -8.886 -5.736 515 HD23 LEU 64 2HD2 LEU 64 -25.823 -7.205 -5.679 516 H GLU 65 H GLU 65 -29.481 -10.363 -8.960 517 HA GLU 65 HA GLU 65 -31.894 -8.738 -9.366 518 HB2 GLU 65 2HB GLU 65 -31.396 -11.691 -9.070 519 HB3 GLU 65 3HB GLU 65 -33.008 -11.032 -8.846 520 HG2 GLU 65 2HG GLU 65 -31.381 -10.607 -11.343 521 HG3 GLU 65 3HG GLU 65 -32.509 -11.945 -11.124 522 H HIS 66 H HIS 66 -32.207 -7.474 -7.573 523 HA HIS 66 HA HIS 66 -32.108 -8.654 -4.910 524 HB2 HIS 66 2HB HIS 66 -32.832 -6.427 -4.124 525 HB3 HIS 66 3HB HIS 66 -31.415 -6.327 -5.157 526 HD1 HIS 66 HD1 HIS 66 -31.550 -4.770 -7.097 527 HD2 HIS 66 HD2 HIS 66 -35.295 -5.597 -5.497 528 HE1 HIS 66 HE1 HIS 66 -33.141 -3.245 -8.290 529 HE2 HIS 66 HE2 HIS 66 -35.419 -3.921 -7.458 530 H HIS 67 H HIS 67 -33.989 -8.817 -3.517 531 HA HIS 67 HA HIS 67 -36.155 -10.122 -4.676 532 HB2 HIS 67 2HB HIS 67 -35.544 -10.334 -2.299 533 HB3 HIS 67 3HB HIS 67 -36.086 -8.687 -2.002 534 HD1 HIS 67 HD1 HIS 67 -37.310 -12.160 -2.474 535 HD2 HIS 67 HD2 HIS 67 -38.910 -8.360 -1.965 536 HE1 HIS 67 HE1 HIS 67 -39.738 -12.517 -1.958 537 HE2 HIS 67 HE2 HIS 67 -40.710 -10.203 -1.774 538 H HIS 68 H HIS 68 -37.603 -9.294 -6.076 539 HA HIS 68 HA HIS 68 -38.954 -6.785 -5.376 540 HB2 HIS 68 2HB HIS 68 -38.736 -5.857 -7.608 541 HB3 HIS 68 3HB HIS 68 -37.142 -6.181 -6.944 542 HD1 HIS 68 HD1 HIS 68 -39.060 -6.619 -9.936 543 HD2 HIS 68 HD2 HIS 68 -36.075 -8.775 -8.018 544 HE1 HIS 68 HE1 HIS 68 -38.079 -8.114 -11.694 545 HE2 HIS 68 HE2 HIS 68 -36.142 -9.246 -10.561 546 H HIS 69 H HIS 69 -41.069 -6.639 -5.986 547 HA HIS 69 HA HIS 69 -42.500 -9.027 -6.487 548 HB2 HIS 69 2HB HIS 69 -43.564 -7.309 -5.215 549 HB3 HIS 69 3HB HIS 69 -43.305 -6.114 -6.480 550 HD1 HIS 69 HD1 HIS 69 -45.058 -5.926 -8.287 551 HD2 HIS 69 HD2 HIS 69 -45.683 -9.177 -5.775 552 HE1 HIS 69 HE1 HIS 69 -47.331 -6.806 -8.884 553 HE2 HIS 69 HE2 HIS 69 -47.698 -8.762 -7.347 554 H HIS 70 H HIS 70 -42.326 -10.060 -8.398 555 HA HIS 70 HA HIS 70 -42.381 -8.541 -10.898 556 HB2 HIS 70 2HB HIS 70 -40.751 -10.385 -10.685 557 HB3 HIS 70 3HB HIS 70 -42.073 -11.526 -10.454 558 HD1 HIS 70 HD1 HIS 70 -43.404 -12.235 -12.557 559 HD2 HIS 70 HD2 HIS 70 -40.386 -9.483 -13.328 560 HE1 HIS 70 HE1 HIS 70 -43.182 -12.163 -15.052 561 HE2 HIS 70 HE2 HIS 70 -41.237 -10.632 -15.481 562 H HIS 71 H HIS 71 -43.983 -8.749 -12.455 563 HA HIS 71 HA HIS 71 -46.631 -9.114 -11.588 564 HB2 HIS 71 2HB HIS 71 -45.982 -7.667 -13.470 565 HB3 HIS 71 3HB HIS 71 -45.531 -9.086 -14.409 566 HD1 HIS 71 HD1 HIS 71 -47.355 -10.174 -15.759 567 HD2 HIS 71 HD2 HIS 71 -48.833 -7.472 -12.968 568 HE1 HIS 71 HE1 HIS 71 -49.803 -9.949 -16.272 569 HE2 HIS 71 HE2 HIS 71 -50.645 -8.211 -14.661 Start of MODEL 10 1 H1 MET 1 1H MET 1 -27.450 -26.985 -10.297 2 H2 MET 1 2H MET 1 -28.837 -26.570 -9.430 3 H3 MET 1 3H MET 1 -27.360 -26.722 -8.625 4 HA MET 1 HA MET 1 -28.072 -24.672 -10.648 5 HB2 MET 1 2HB MET 1 -27.609 -24.496 -7.665 6 HB3 MET 1 3HB MET 1 -27.671 -23.091 -8.718 7 HG2 MET 1 2HG MET 1 -29.974 -23.738 -9.360 8 HG3 MET 1 3HG MET 1 -29.897 -25.040 -8.169 9 HE1 MET 1 3HE MET 1 -32.282 -22.361 -6.528 10 HE2 MET 1 1HE MET 1 -32.146 -24.019 -7.113 11 HE3 MET 1 2HE MET 1 -32.129 -22.675 -8.256 12 HA PRO 2 HA PRO 2 -23.646 -24.298 -11.270 13 HB2 PRO 2 2HB PRO 2 -24.182 -21.693 -12.498 14 HB3 PRO 2 3HB PRO 2 -23.640 -23.190 -13.259 15 HG2 PRO 2 2HG PRO 2 -26.104 -22.150 -13.677 16 HG3 PRO 2 3HG PRO 2 -25.786 -23.895 -13.707 17 HD2 PRO 2 2HD PRO 2 -26.949 -22.220 -11.502 18 HD3 PRO 2 3HD PRO 2 -27.465 -23.813 -12.097 19 H THR 3 H THR 3 -24.697 -23.384 -8.680 20 HA THR 3 HA THR 3 -24.190 -20.728 -8.040 21 HB THR 3 HB THR 3 -23.846 -23.131 -6.221 22 HG1 THR 3 HG1 THR 3 -26.021 -22.629 -5.620 23 HG21 THR 3 3HG2 THR 3 -22.821 -21.092 -5.293 24 HG22 THR 3 1HG2 THR 3 -24.257 -21.566 -4.384 25 HG23 THR 3 2HG2 THR 3 -24.339 -20.225 -5.526 26 H LYS 4 H LYS 4 -22.375 -19.584 -8.188 27 HA LYS 4 HA LYS 4 -19.768 -20.917 -8.006 28 HB2 LYS 4 2HB LYS 4 -20.538 -18.157 -8.988 29 HB3 LYS 4 3HB LYS 4 -18.889 -18.762 -8.928 30 HG2 LYS 4 2HG LYS 4 -21.104 -20.049 -10.517 31 HG3 LYS 4 3HG LYS 4 -19.942 -18.894 -11.176 32 HD2 LYS 4 2HD LYS 4 -18.107 -20.393 -10.669 33 HD3 LYS 4 3HD LYS 4 -19.208 -21.519 -9.870 34 HE2 LYS 4 2HE LYS 4 -19.318 -20.762 -12.792 35 HE3 LYS 4 3HE LYS 4 -18.602 -22.242 -12.153 36 HZ1 LYS 4 3HZ LYS 4 -20.836 -22.651 -12.922 37 HZ2 LYS 4 1HZ LYS 4 -21.450 -21.434 -11.918 38 HZ3 LYS 4 2HZ LYS 4 -20.772 -22.831 -11.246 39 HA PRO 5 HA PRO 5 -19.160 -19.182 -3.871 40 HB2 PRO 5 2HB PRO 5 -16.336 -19.927 -4.370 41 HB3 PRO 5 3HB PRO 5 -17.418 -20.431 -3.068 42 HG2 PRO 5 2HG PRO 5 -16.720 -22.126 -5.024 43 HG3 PRO 5 3HG PRO 5 -18.352 -22.145 -4.327 44 HD2 PRO 5 2HD PRO 5 -17.409 -20.939 -6.912 45 HD3 PRO 5 3HD PRO 5 -18.883 -21.875 -6.578 46 HA PRO 6 HA PRO 6 -17.798 -15.195 -5.501 47 HB2 PRO 6 2HB PRO 6 -18.317 -13.734 -3.268 48 HB3 PRO 6 3HB PRO 6 -19.584 -14.286 -4.369 49 HG2 PRO 6 2HG PRO 6 -18.682 -15.486 -1.773 50 HG3 PRO 6 3HG PRO 6 -20.333 -15.201 -2.360 51 HD2 PRO 6 2HD PRO 6 -19.164 -17.634 -2.495 52 HD3 PRO 6 3HD PRO 6 -20.304 -17.065 -3.731 53 H TYR 7 H TYR 7 -16.188 -13.559 -5.016 54 HA TYR 7 HA TYR 7 -13.885 -14.728 -3.588 55 HB2 TYR 7 2HB TYR 7 -13.938 -12.566 -5.714 56 HB3 TYR 7 3HB TYR 7 -12.496 -13.295 -5.018 57 HD1 TYR 7 HD1 TYR 7 -15.588 -14.214 -6.923 58 HD2 TYR 7 HD2 TYR 7 -11.493 -15.097 -6.124 59 HE1 TYR 7 HE1 TYR 7 -15.605 -15.898 -8.710 60 HE2 TYR 7 HE2 TYR 7 -11.505 -16.782 -7.918 61 HH TYR 7 HH TYR 7 -14.195 -17.096 -10.119 62 HA PRO 8 HA PRO 8 -14.682 -11.342 -0.592 63 HB2 PRO 8 2HB PRO 8 -12.343 -12.617 0.726 64 HB3 PRO 8 3HB PRO 8 -13.933 -12.228 1.391 65 HG2 PRO 8 2HG PRO 8 -13.244 -14.755 0.859 66 HG3 PRO 8 3HG PRO 8 -14.895 -14.175 0.582 67 HD2 PRO 8 2HD PRO 8 -12.694 -14.639 -1.403 68 HD3 PRO 8 3HD PRO 8 -14.429 -14.999 -1.539 69 H ARG 9 H ARG 9 -13.967 -9.504 -1.598 70 HA ARG 9 HA ARG 9 -11.214 -9.301 -2.503 71 HB2 ARG 9 2HB ARG 9 -13.400 -8.433 -3.688 72 HB3 ARG 9 3HB ARG 9 -13.167 -7.024 -2.660 73 HG2 ARG 9 2HG ARG 9 -10.979 -6.638 -3.620 74 HG3 ARG 9 3HG ARG 9 -11.107 -8.116 -4.575 75 HD2 ARG 9 2HD ARG 9 -13.178 -7.094 -5.627 76 HD3 ARG 9 3HD ARG 9 -12.712 -5.581 -4.852 77 HE ARG 9 HE ARG 9 -10.662 -6.807 -6.470 78 HH11 ARG 9 1HH1 ARG 9 -13.227 -4.510 -6.343 79 HH12 ARG 9 2HH1 ARG 9 -12.736 -3.720 -7.798 80 HH21 ARG 9 1HH2 ARG 9 -10.042 -5.771 -8.339 81 HH22 ARG 9 2HH2 ARG 9 -10.947 -4.405 -8.893 82 H GLU 10 H GLU 10 -9.939 -9.162 -0.691 83 HA GLU 10 HA GLU 10 -10.461 -6.947 1.196 84 HB2 GLU 10 2HB GLU 10 -8.948 -9.525 1.691 85 HB3 GLU 10 3HB GLU 10 -9.257 -8.263 2.879 86 HG2 GLU 10 2HG GLU 10 -11.658 -8.692 2.728 87 HG3 GLU 10 3HG GLU 10 -11.366 -9.934 1.510 88 H ALA 11 H ALA 11 -8.970 -5.401 1.430 89 HA ALA 11 HA ALA 11 -6.214 -5.863 0.468 90 HB1 ALA 11 3HB ALA 11 -7.450 -4.526 -1.182 91 HB2 ALA 11 1HB ALA 11 -6.155 -3.593 -0.429 92 HB3 ALA 11 2HB ALA 11 -7.829 -3.339 0.067 93 H TYR 12 H TYR 12 -4.600 -4.431 1.465 94 HA TYR 12 HA TYR 12 -5.353 -3.094 3.933 95 HB2 TYR 12 2HB TYR 12 -3.761 -4.463 5.305 96 HB3 TYR 12 3HB TYR 12 -5.179 -5.344 4.753 97 HD1 TYR 12 HD1 TYR 12 -4.967 -7.063 2.981 98 HD2 TYR 12 HD2 TYR 12 -1.549 -5.076 4.566 99 HE1 TYR 12 HE1 TYR 12 -3.518 -8.804 2.029 100 HE2 TYR 12 HE2 TYR 12 -0.092 -6.811 3.610 101 HH TYR 12 HH TYR 12 -1.137 -9.031 1.304 102 H ILE 13 H ILE 13 -3.617 -1.884 4.924 103 HA ILE 13 HA ILE 13 -1.713 -0.922 2.903 104 HB ILE 13 HB ILE 13 -2.531 0.345 5.527 105 HG12 ILE 13 2HG1 ILE 13 -3.443 1.012 2.708 106 HG13 ILE 13 3HG1 ILE 13 -4.408 0.157 3.906 107 HG21 ILE 13 1HG2 ILE 13 -0.983 1.490 3.195 108 HG22 ILE 13 2HG2 ILE 13 -0.324 1.076 4.779 109 HG23 ILE 13 3HG2 ILE 13 -1.498 2.383 4.626 110 HD11 ILE 13 3HD1 ILE 13 -3.416 2.991 4.129 111 HD12 ILE 13 1HD1 ILE 13 -4.358 2.134 5.348 112 HD13 ILE 13 2HD1 ILE 13 -5.065 2.480 3.770 113 H VAL 14 H VAL 14 0.417 -1.287 3.052 114 HA VAL 14 HA VAL 14 1.583 -2.091 5.655 115 HB VAL 14 HB VAL 14 2.614 -2.753 2.879 116 HG11 VAL 14 1HG1 VAL 14 4.413 -2.618 4.510 117 HG12 VAL 14 2HG1 VAL 14 4.133 -4.299 4.061 118 HG13 VAL 14 3HG1 VAL 14 3.536 -3.688 5.604 119 HG21 VAL 14 3HG2 VAL 14 0.536 -3.938 3.320 120 HG22 VAL 14 1HG2 VAL 14 1.163 -4.511 4.868 121 HG23 VAL 14 2HG2 VAL 14 1.895 -5.061 3.360 122 H THR 15 H THR 15 3.455 -1.030 6.375 123 HA THR 15 HA THR 15 4.201 1.396 4.869 124 HB THR 15 HB THR 15 5.188 2.241 6.945 125 HG1 THR 15 HG1 THR 15 5.453 1.013 8.673 126 HG21 THR 15 3HG2 THR 15 3.128 2.472 8.280 127 HG22 THR 15 1HG2 THR 15 2.378 1.196 7.321 128 HG23 THR 15 2HG2 THR 15 2.836 2.720 6.559 129 H ILE 16 H ILE 16 6.112 1.567 3.896 130 HA ILE 16 HA ILE 16 8.386 -0.061 4.855 131 HB ILE 16 HB ILE 16 9.149 -0.468 2.583 132 HG12 ILE 16 2HG1 ILE 16 6.589 0.855 1.633 133 HG13 ILE 16 3HG1 ILE 16 8.171 1.625 1.603 134 HG21 ILE 16 1HG2 ILE 16 7.416 -2.029 1.815 135 HG22 ILE 16 2HG2 ILE 16 6.254 -1.281 2.913 136 HG23 ILE 16 3HG2 ILE 16 7.655 -2.135 3.561 137 HD11 ILE 16 3HD1 ILE 16 7.438 -0.888 0.121 138 HD12 ILE 16 1HD1 ILE 16 8.984 -0.041 0.049 139 HD13 ILE 16 2HD1 ILE 16 7.524 0.730 -0.573 140 H GLU 17 H GLU 17 10.488 0.790 3.694 141 HA GLU 17 HA GLU 17 10.391 3.706 3.347 142 HB2 GLU 17 2HB GLU 17 12.492 3.907 4.708 143 HB3 GLU 17 3HB GLU 17 11.047 3.499 5.625 144 HG2 GLU 17 2HG GLU 17 11.741 1.195 5.785 145 HG3 GLU 17 3HG GLU 17 13.115 1.496 4.721 146 H LYS 18 H LYS 18 11.731 4.522 1.825 147 HA LYS 18 HA LYS 18 13.687 2.705 0.551 148 HB2 LYS 18 2HB LYS 18 11.851 4.654 -0.875 149 HB3 LYS 18 3HB LYS 18 13.077 3.657 -1.643 150 HG2 LYS 18 2HG LYS 18 11.846 1.635 -0.960 151 HG3 LYS 18 3HG LYS 18 10.607 2.653 -0.223 152 HD2 LYS 18 2HD LYS 18 10.151 3.657 -2.444 153 HD3 LYS 18 3HD LYS 18 11.351 2.578 -3.159 154 HE2 LYS 18 2HE LYS 18 10.024 0.637 -2.427 155 HE3 LYS 18 3HE LYS 18 8.822 1.727 -1.735 156 HZ1 LYS 18 3HZ LYS 18 8.080 0.992 -3.869 157 HZ2 LYS 18 1HZ LYS 18 9.530 1.458 -4.609 158 HZ3 LYS 18 2HZ LYS 18 8.479 2.629 -3.990 159 H GLY 19 H GLY 19 15.380 3.874 -0.725 160 HA2 GLY 19 2HA GLY 19 16.498 5.897 -1.339 161 HA3 GLY 19 3HA GLY 19 15.731 6.705 0.013 162 H LYS 20 H LYS 20 17.412 7.491 1.122 163 HA LYS 20 HA LYS 20 19.915 6.033 1.361 164 HB2 LYS 20 2HB LYS 20 19.086 8.771 2.350 165 HB3 LYS 20 3HB LYS 20 20.720 8.122 2.424 166 HG2 LYS 20 2HG LYS 20 20.914 8.117 0.047 167 HG3 LYS 20 3HG LYS 20 19.201 8.496 -0.151 168 HD2 LYS 20 2HD LYS 20 20.611 10.469 -0.511 169 HD3 LYS 20 3HD LYS 20 19.547 10.679 0.878 170 HE2 LYS 20 2HE LYS 20 21.415 10.107 2.378 171 HE3 LYS 20 3HE LYS 20 22.476 9.932 0.979 172 HZ1 LYS 20 3HZ LYS 20 21.091 12.430 1.798 173 HZ2 LYS 20 1HZ LYS 20 22.107 12.260 0.458 174 HZ3 LYS 20 2HZ LYS 20 22.736 12.093 2.016 175 HA PRO 21 HA PRO 21 19.388 4.620 5.592 176 HB2 PRO 21 2HB PRO 21 21.903 5.035 6.602 177 HB3 PRO 21 3HB PRO 21 21.485 3.678 5.550 178 HG2 PRO 21 2HG PRO 21 22.793 6.286 4.851 179 HG3 PRO 21 3HG PRO 21 23.202 4.647 4.306 180 HD2 PRO 21 2HD PRO 21 21.800 6.351 2.757 181 HD3 PRO 21 3HD PRO 21 21.485 4.603 2.745 182 H GLY 22 H GLY 22 18.792 5.522 7.556 183 HA2 GLY 22 2HA GLY 22 18.461 7.153 9.180 184 HA3 GLY 22 3HA GLY 22 19.684 8.138 8.395 185 H GLN 23 H GLN 23 18.881 8.921 6.098 186 HA GLN 23 HA GLN 23 16.292 10.220 6.489 187 HB2 GLN 23 2HB GLN 23 18.482 10.659 4.448 188 HB3 GLN 23 3HB GLN 23 16.953 11.529 4.436 189 HG2 GLN 23 2HG GLN 23 18.982 11.575 6.671 190 HG3 GLN 23 3HG GLN 23 18.753 12.834 5.458 191 HE21 GLN 23 1HE2 GLN 23 17.443 11.341 8.316 192 HE22 GLN 23 2HE2 GLN 23 16.245 12.543 8.636 193 H THR 24 H THR 24 15.262 8.057 6.224 194 HA THR 24 HA THR 24 15.020 7.105 3.463 195 HB THR 24 HB THR 24 13.610 5.294 4.434 196 HG1 THR 24 HG1 THR 24 14.067 5.335 6.958 197 HG21 THR 24 3HG2 THR 24 16.024 4.954 4.193 198 HG22 THR 24 1HG2 THR 24 15.404 4.121 5.621 199 HG23 THR 24 2HG2 THR 24 16.287 5.638 5.799 200 H VAL 25 H VAL 25 12.889 6.757 2.510 201 HA VAL 25 HA VAL 25 10.928 8.798 3.358 202 HB VAL 25 HB VAL 25 11.237 7.500 0.630 203 HG11 VAL 25 1HG1 VAL 25 8.930 8.136 1.042 204 HG12 VAL 25 2HG1 VAL 25 9.653 9.252 -0.117 205 HG13 VAL 25 3HG1 VAL 25 9.435 9.746 1.560 206 HG21 VAL 25 3HG2 VAL 25 13.116 8.971 1.106 207 HG22 VAL 25 1HG2 VAL 25 12.017 10.265 1.583 208 HG23 VAL 25 2HG2 VAL 25 12.061 9.715 -0.093 209 H THR 26 H THR 26 8.986 8.150 4.091 210 HA THR 26 HA THR 26 8.381 5.356 4.367 211 HB THR 26 HB THR 26 6.610 7.724 5.029 212 HG1 THR 26 HG1 THR 26 8.578 6.338 6.556 213 HG21 THR 26 3HG2 THR 26 6.545 4.853 5.994 214 HG22 THR 26 1HG2 THR 26 5.381 5.607 4.905 215 HG23 THR 26 2HG2 THR 26 5.508 6.155 6.575 216 H TRP 27 H TRP 27 7.505 4.172 2.783 217 HA TRP 27 HA TRP 27 5.494 5.420 1.018 218 HB2 TRP 27 2HB TRP 27 7.395 3.123 0.532 219 HB3 TRP 27 3HB TRP 27 6.012 3.439 -0.513 220 HD1 TRP 27 HD1 TRP 27 9.472 4.789 0.366 221 HE1 TRP 27 HE1 TRP 27 10.131 6.565 -1.378 222 HE3 TRP 27 HE3 TRP 27 5.010 5.196 -2.095 223 HZ2 TRP 27 HZ2 TRP 27 8.914 7.958 -3.507 224 HZ3 TRP 27 HZ3 TRP 27 4.836 6.779 -3.971 225 HH2 TRP 27 HH2 TRP 27 6.749 8.130 -4.660 226 H TYR 28 H TYR 28 3.462 4.696 1.071 227 HA TYR 28 HA TYR 28 2.825 2.387 2.760 228 HB2 TYR 28 2HB TYR 28 1.044 4.532 1.566 229 HB3 TYR 28 3HB TYR 28 0.490 3.232 2.619 230 HD1 TYR 28 HD1 TYR 28 1.021 3.249 5.007 231 HD2 TYR 28 HD2 TYR 28 2.313 6.416 2.467 232 HE1 TYR 28 HE1 TYR 28 1.513 4.626 6.982 233 HE2 TYR 28 HE2 TYR 28 2.805 7.803 4.440 234 HH TYR 28 HH TYR 28 3.064 6.585 7.528 235 H GLN 29 H GLN 29 2.688 0.492 1.771 236 HA GLN 29 HA GLN 29 1.971 0.302 -1.057 237 HB2 GLN 29 2HB GLN 29 2.961 -1.785 0.897 238 HB3 GLN 29 3HB GLN 29 2.617 -2.090 -0.799 239 HG2 GLN 29 2HG GLN 29 4.373 -0.457 -1.409 240 HG3 GLN 29 3HG GLN 29 4.753 -0.270 0.304 241 HE21 GLN 29 1HE2 GLN 29 6.426 -1.259 -1.876 242 HE22 GLN 29 2HE2 GLN 29 6.925 -2.845 -1.404 243 H LEU 30 H LEU 30 -0.121 0.018 -1.580 244 HA LEU 30 HA LEU 30 -1.972 -1.256 0.251 245 HB2 LEU 30 2HB LEU 30 -2.732 0.596 -1.179 246 HB3 LEU 30 3HB LEU 30 -2.356 -0.349 -2.610 247 HG LEU 30 HG LEU 30 -4.069 -2.013 -1.948 248 HD11 LEU 30 1HD1 LEU 30 -4.711 -0.059 0.264 249 HD12 LEU 30 2HD1 LEU 30 -4.036 -1.677 0.464 250 HD13 LEU 30 3HD1 LEU 30 -5.667 -1.476 -0.173 251 HD21 LEU 30 3HD2 LEU 30 -6.027 -0.639 -2.466 252 HD22 LEU 30 1HD2 LEU 30 -4.655 -0.235 -3.500 253 HD23 LEU 30 2HD2 LEU 30 -5.087 0.822 -2.154 254 H ARG 31 H ARG 31 -1.772 -3.409 0.497 255 HA ARG 31 HA ARG 31 -1.344 -5.074 -1.910 256 HB2 ARG 31 2HB ARG 31 -0.718 -5.719 0.983 257 HB3 ARG 31 3HB ARG 31 -0.489 -6.816 -0.373 258 HG2 ARG 31 2HG ARG 31 1.131 -5.222 -1.349 259 HG3 ARG 31 3HG ARG 31 0.945 -4.201 0.079 260 HD2 ARG 31 2HD ARG 31 1.742 -6.035 1.493 261 HD3 ARG 31 3HD ARG 31 1.912 -7.064 0.071 262 HE ARG 31 HE ARG 31 3.482 -4.590 0.443 263 HH11 ARG 31 1HH1 ARG 31 3.250 -7.910 -0.447 264 HH12 ARG 31 2HH1 ARG 31 4.923 -8.038 -0.850 265 HH21 ARG 31 1HH2 ARG 31 5.636 -4.767 -0.075 266 HH22 ARG 31 2HH2 ARG 31 6.260 -6.282 -0.631 267 H ALA 32 H ALA 32 -2.426 -7.194 -1.917 268 HA ALA 32 HA ALA 32 -4.971 -7.175 -0.407 269 HB1 ALA 32 3HB ALA 32 -5.402 -6.616 -2.725 270 HB2 ALA 32 1HB ALA 32 -6.049 -8.216 -2.360 271 HB3 ALA 32 2HB ALA 32 -4.541 -8.061 -3.262 272 H ASP 33 H ASP 33 -5.996 -9.398 -0.297 273 HA ASP 33 HA ASP 33 -3.979 -11.253 0.672 274 HB2 ASP 33 2HB ASP 33 -5.974 -10.724 2.024 275 HB3 ASP 33 3HB ASP 33 -7.000 -11.420 0.773 276 H HIS 34 H HIS 34 -6.431 -11.168 -1.892 277 HA HIS 34 HA HIS 34 -5.353 -13.710 -2.953 278 HB2 HIS 34 2HB HIS 34 -8.126 -12.530 -3.130 279 HB3 HIS 34 3HB HIS 34 -7.590 -13.812 -4.209 280 HD1 HIS 34 HD1 HIS 34 -9.059 -13.254 -0.922 281 HD2 HIS 34 HD2 HIS 34 -6.874 -16.258 -2.784 282 HE1 HIS 34 HE1 HIS 34 -9.442 -15.316 0.455 283 HE2 HIS 34 HE2 HIS 34 -8.175 -17.136 -0.730 284 HA PRO 35 HA PRO 35 -5.537 -14.872 -4.786 285 HB2 PRO 35 2HB PRO 35 -4.008 -15.635 -6.845 286 HB3 PRO 35 3HB PRO 35 -5.649 -15.027 -7.101 287 HG2 PRO 35 2HG PRO 35 -3.028 -13.599 -7.424 288 HG3 PRO 35 3HG PRO 35 -4.450 -13.573 -8.483 289 HD2 PRO 35 2HD PRO 35 -3.861 -11.620 -6.623 290 HD3 PRO 35 3HD PRO 35 -5.492 -11.955 -7.232 291 H LYS 36 H LYS 36 -3.045 -12.681 -4.418 292 HA LYS 36 HA LYS 36 -1.408 -14.623 -2.941 293 HB2 LYS 36 2HB LYS 36 -0.401 -12.661 -5.017 294 HB3 LYS 36 3HB LYS 36 0.650 -13.349 -3.787 295 HG2 LYS 36 2HG LYS 36 -0.898 -14.962 -5.812 296 HG3 LYS 36 3HG LYS 36 0.791 -14.478 -5.986 297 HD2 LYS 36 2HD LYS 36 -0.335 -16.202 -3.769 298 HD3 LYS 36 3HD LYS 36 0.587 -16.782 -5.157 299 HE2 LYS 36 2HE LYS 36 2.524 -15.460 -4.420 300 HE3 LYS 36 3HE LYS 36 1.602 -14.882 -3.033 301 HZ1 LYS 36 3HZ LYS 36 2.344 -17.699 -3.576 302 HZ2 LYS 36 1HZ LYS 36 1.431 -17.169 -2.256 303 HZ3 LYS 36 2HZ LYS 36 3.043 -16.693 -2.413 304 HA PRO 37 HA PRO 37 -1.691 -11.315 0.119 305 HB2 PRO 37 2HB PRO 37 0.445 -12.112 1.679 306 HB3 PRO 37 3HB PRO 37 -1.179 -12.798 1.789 307 HG2 PRO 37 2HG PRO 37 1.222 -13.852 0.330 308 HG3 PRO 37 3HG PRO 37 0.038 -14.731 1.320 309 HD2 PRO 37 2HD PRO 37 -0.078 -14.778 -1.364 310 HD3 PRO 37 3HD PRO 37 -1.556 -14.746 -0.381 311 H ASP 38 H ASP 38 1.098 -12.126 -1.759 312 HA ASP 38 HA ASP 38 2.623 -9.763 -1.143 313 HB2 ASP 38 2HB ASP 38 2.959 -11.610 -3.513 314 HB3 ASP 38 3HB ASP 38 4.179 -10.584 -2.768 315 H SER 39 H SER 39 -0.179 -10.156 -2.860 316 HA SER 39 HA SER 39 0.286 -8.908 -5.333 317 HB2 SER 39 2HB SER 39 -1.757 -10.187 -4.883 318 HB3 SER 39 3HB SER 39 -2.279 -8.976 -3.714 319 HG SER 39 HG SER 39 -3.274 -8.290 -5.478 320 H LEU 40 H LEU 40 1.467 -7.040 -5.216 321 HA LEU 40 HA LEU 40 0.654 -4.807 -3.577 322 HB2 LEU 40 2HB LEU 40 3.009 -5.161 -4.040 323 HB3 LEU 40 3HB LEU 40 2.721 -5.053 -5.767 324 HG LEU 40 HG LEU 40 2.081 -2.677 -5.508 325 HD11 LEU 40 1HD1 LEU 40 2.517 -1.523 -3.390 326 HD12 LEU 40 2HD1 LEU 40 2.891 -3.066 -2.623 327 HD13 LEU 40 3HD1 LEU 40 1.258 -2.747 -3.210 328 HD21 LEU 40 3HD2 LEU 40 4.397 -3.288 -6.049 329 HD22 LEU 40 1HD2 LEU 40 4.780 -3.339 -4.327 330 HD23 LEU 40 2HD2 LEU 40 4.317 -1.813 -5.084 331 H ILE 41 H ILE 41 -1.206 -3.827 -4.113 332 HA ILE 41 HA ILE 41 -2.218 -3.623 -6.778 333 HB ILE 41 HB ILE 41 -3.070 -2.067 -4.320 334 HG12 ILE 41 2HG1 ILE 41 -3.224 -4.475 -3.905 335 HG13 ILE 41 3HG1 ILE 41 -4.837 -3.800 -4.095 336 HG21 ILE 41 1HG2 ILE 41 -3.897 -1.042 -6.365 337 HG22 ILE 41 2HG2 ILE 41 -5.227 -1.819 -5.506 338 HG23 ILE 41 3HG2 ILE 41 -4.518 -2.597 -6.923 339 HD11 ILE 41 3HD1 ILE 41 -4.911 -4.646 -6.393 340 HD12 ILE 41 1HD1 ILE 41 -4.661 -5.935 -5.217 341 HD13 ILE 41 2HD1 ILE 41 -3.306 -5.346 -6.181 342 H SER 42 H SER 42 -0.881 -1.193 -4.521 343 HA SER 42 HA SER 42 0.552 0.190 -6.542 344 HB2 SER 42 2HB SER 42 -1.640 1.006 -7.240 345 HB3 SER 42 3HB SER 42 -2.000 1.532 -5.597 346 HG SER 42 HG SER 42 -0.786 2.893 -7.517 347 H GLU 43 H GLU 43 1.900 1.829 -5.726 348 HA GLU 43 HA GLU 43 2.065 1.957 -2.787 349 HB2 GLU 43 2HB GLU 43 4.144 2.731 -4.855 350 HB3 GLU 43 3HB GLU 43 4.373 2.718 -3.111 351 HG2 GLU 43 2HG GLU 43 4.049 0.294 -3.083 352 HG3 GLU 43 3HG GLU 43 3.827 0.304 -4.833 353 H HIS 44 H HIS 44 2.018 3.905 -1.681 354 HA HIS 44 HA HIS 44 1.955 6.407 -3.202 355 HB2 HIS 44 2HB HIS 44 -0.284 5.479 -1.393 356 HB3 HIS 44 3HB HIS 44 -0.069 7.159 -1.869 357 HD1 HIS 44 HD1 HIS 44 -1.431 3.946 -3.050 358 HD2 HIS 44 HD2 HIS 44 -0.469 7.641 -4.676 359 HE1 HIS 44 HE1 HIS 44 -2.580 4.019 -5.277 360 HE2 HIS 44 HE2 HIS 44 -1.834 6.182 -6.313 361 HA PRO 45 HA PRO 45 4.406 7.699 0.266 362 HB2 PRO 45 2HB PRO 45 4.403 10.378 -0.111 363 HB3 PRO 45 3HB PRO 45 5.273 9.273 -1.181 364 HG2 PRO 45 2HG PRO 45 2.591 10.556 -1.565 365 HG3 PRO 45 3HG PRO 45 3.920 10.374 -2.728 366 HD2 PRO 45 2HD PRO 45 1.746 8.730 -2.688 367 HD3 PRO 45 3HD PRO 45 3.354 8.191 -3.220 368 H THR 46 H THR 46 1.093 8.587 -0.051 369 HA THR 46 HA THR 46 1.013 9.376 2.801 370 HB THR 46 HB THR 46 -1.000 10.716 2.341 371 HG1 THR 46 HG1 THR 46 -1.635 11.080 0.175 372 HG21 THR 46 3HG2 THR 46 1.318 11.477 0.550 373 HG22 THR 46 1HG2 THR 46 1.182 11.840 2.272 374 HG23 THR 46 2HG2 THR 46 0.056 12.566 1.126 375 H ALA 47 H ALA 47 -0.534 8.439 4.091 376 HA ALA 47 HA ALA 47 -1.515 5.889 3.331 377 HB1 ALA 47 3HB ALA 47 -2.549 5.832 5.537 378 HB2 ALA 47 1HB ALA 47 -2.253 7.560 5.736 379 HB3 ALA 47 2HB ALA 47 -0.896 6.438 5.635 380 H GLN 48 H GLN 48 -3.006 9.086 3.438 381 HA GLN 48 HA GLN 48 -5.702 8.418 3.248 382 HB2 GLN 48 2HB GLN 48 -4.177 10.763 2.998 383 HB3 GLN 48 3HB GLN 48 -5.042 10.645 1.477 384 HG2 GLN 48 2HG GLN 48 -6.543 10.314 4.038 385 HG3 GLN 48 3HG GLN 48 -6.058 11.925 3.529 386 HE21 GLN 48 1HE2 GLN 48 -7.053 9.358 1.320 387 HE22 GLN 48 2HE2 GLN 48 -8.511 10.117 0.821 388 H GLU 49 H GLU 49 -3.344 8.796 0.591 389 HA GLU 49 HA GLU 49 -5.053 8.078 -1.526 390 HB2 GLU 49 2HB GLU 49 -2.091 8.110 -1.115 391 HB3 GLU 49 3HB GLU 49 -2.720 7.263 -2.520 392 HG2 GLU 49 2HG GLU 49 -3.393 10.128 -1.878 393 HG3 GLU 49 3HG GLU 49 -2.041 9.645 -2.903 394 H ALA 50 H ALA 50 -3.048 6.074 0.606 395 HA ALA 50 HA ALA 50 -3.547 3.597 -0.665 396 HB1 ALA 50 3HB ALA 50 -2.877 4.161 2.231 397 HB2 ALA 50 1HB ALA 50 -1.722 3.891 0.925 398 HB3 ALA 50 2HB ALA 50 -2.787 2.585 1.445 399 H MET 51 H MET 51 -5.295 5.375 1.849 400 HA MET 51 HA MET 51 -7.209 3.356 2.427 401 HB2 MET 51 2HB MET 51 -7.342 6.358 2.788 402 HB3 MET 51 3HB MET 51 -8.535 5.236 3.424 403 HG2 MET 51 2HG MET 51 -6.810 4.186 4.802 404 HG3 MET 51 3HG MET 51 -5.615 5.311 4.159 405 HE1 MET 51 3HE MET 51 -4.946 5.983 6.646 406 HE2 MET 51 1HE MET 51 -6.161 4.881 7.293 407 HE3 MET 51 2HE MET 51 -6.099 6.552 7.853 408 H ASP 52 H ASP 52 -7.452 6.309 0.410 409 HA ASP 52 HA ASP 52 -10.017 5.858 -0.581 410 HB2 ASP 52 2HB ASP 52 -7.650 7.349 -1.682 411 HB3 ASP 52 3HB ASP 52 -9.150 7.241 -2.599 412 H ALA 53 H ALA 53 -6.904 4.725 -1.881 413 HA ALA 53 HA ALA 53 -8.007 3.385 -4.123 414 HB1 ALA 53 3HB ALA 53 -5.447 2.747 -2.652 415 HB2 ALA 53 1HB ALA 53 -5.617 3.962 -3.919 416 HB3 ALA 53 2HB ALA 53 -5.867 2.256 -4.293 417 H LYS 54 H LYS 54 -7.320 2.340 -0.804 418 HA LYS 54 HA LYS 54 -7.911 -0.396 -1.087 419 HB2 LYS 54 2HB LYS 54 -6.729 0.312 0.839 420 HB3 LYS 54 3HB LYS 54 -7.953 1.498 1.256 421 HG2 LYS 54 2HG LYS 54 -9.496 -0.280 1.884 422 HG3 LYS 54 3HG LYS 54 -8.309 -1.498 1.409 423 HD2 LYS 54 2HD LYS 54 -6.850 -0.924 3.174 424 HD3 LYS 54 3HD LYS 54 -7.677 0.605 3.473 425 HE2 LYS 54 2HE LYS 54 -8.176 -1.038 5.213 426 HE3 LYS 54 3HE LYS 54 -9.623 -0.592 4.316 427 HZ1 LYS 54 3HZ LYS 54 -9.430 -2.640 3.053 428 HZ2 LYS 54 1HZ LYS 54 -9.519 -2.963 4.708 429 HZ3 LYS 54 2HZ LYS 54 -8.037 -3.065 3.910 430 H LYS 55 H LYS 55 -10.011 2.159 0.297 431 HA LYS 55 HA LYS 55 -12.314 0.627 0.614 432 HB2 LYS 55 2HB LYS 55 -13.521 2.727 0.784 433 HB3 LYS 55 3HB LYS 55 -11.956 2.893 1.573 434 HG2 LYS 55 2HG LYS 55 -11.092 3.979 -0.496 435 HG3 LYS 55 3HG LYS 55 -12.726 3.932 -1.152 436 HD2 LYS 55 2HD LYS 55 -12.294 6.123 -0.245 437 HD3 LYS 55 3HD LYS 55 -13.496 5.311 0.758 438 HE2 LYS 55 2HE LYS 55 -11.959 4.943 2.497 439 HE3 LYS 55 3HE LYS 55 -10.570 5.245 1.453 440 HZ1 LYS 55 3HZ LYS 55 -11.120 7.561 1.375 441 HZ2 LYS 55 1HZ LYS 55 -11.055 7.082 2.996 442 HZ3 LYS 55 2HZ LYS 55 -12.553 7.311 2.246 443 H ARG 56 H ARG 56 -11.131 2.329 -2.219 444 HA ARG 56 HA ARG 56 -13.536 1.947 -3.759 445 HB2 ARG 56 2HB ARG 56 -12.137 3.931 -4.038 446 HB3 ARG 56 3HB ARG 56 -10.781 2.932 -4.533 447 HG2 ARG 56 2HG ARG 56 -11.851 2.353 -6.581 448 HG3 ARG 56 3HG ARG 56 -13.376 3.073 -6.057 449 HD2 ARG 56 2HD ARG 56 -12.072 4.490 -7.657 450 HD3 ARG 56 3HD ARG 56 -12.440 5.282 -6.126 451 HE ARG 56 HE ARG 56 -9.799 4.106 -6.751 452 HH11 ARG 56 1HH1 ARG 56 -11.722 6.657 -5.438 453 HH12 ARG 56 2HH1 ARG 56 -10.350 7.526 -4.843 454 HH21 ARG 56 1HH2 ARG 56 -8.059 5.243 -5.986 455 HH22 ARG 56 2HH2 ARG 56 -8.307 6.735 -5.146 456 H TYR 57 H TYR 57 -10.521 0.219 -3.325 457 HA TYR 57 HA TYR 57 -10.881 -1.448 -5.665 458 HB2 TYR 57 2HB TYR 57 -8.615 -0.938 -4.807 459 HB3 TYR 57 3HB TYR 57 -8.984 -1.815 -3.327 460 HD1 TYR 57 HD1 TYR 57 -8.237 -2.127 -6.906 461 HD2 TYR 57 HD2 TYR 57 -9.076 -4.262 -3.313 462 HE1 TYR 57 HE1 TYR 57 -7.498 -4.213 -7.975 463 HE2 TYR 57 HE2 TYR 57 -8.341 -6.353 -4.379 464 HH TYR 57 HH TYR 57 -6.600 -6.449 -7.239 465 H GLU 58 H GLU 58 -11.323 -1.843 -2.149 466 HA GLU 58 HA GLU 58 -12.081 -4.571 -2.229 467 HB2 GLU 58 2HB GLU 58 -12.832 -2.459 -0.191 468 HB3 GLU 58 3HB GLU 58 -12.975 -4.199 0.036 469 HG2 GLU 58 2HG GLU 58 -10.539 -4.424 -0.212 470 HG3 GLU 58 3HG GLU 58 -10.405 -2.677 -0.399 471 H ASP 59 H ASP 59 -13.667 -1.823 -3.304 472 HA ASP 59 HA ASP 59 -16.287 -3.137 -3.405 473 HB2 ASP 59 2HB ASP 59 -16.145 -0.759 -2.675 474 HB3 ASP 59 3HB ASP 59 -15.448 -0.338 -4.234 475 HA PRO 60 HA PRO 60 -15.446 -4.741 -7.462 476 HB2 PRO 60 2HB PRO 60 -17.989 -4.640 -8.547 477 HB3 PRO 60 3HB PRO 60 -17.400 -5.905 -7.462 478 HG2 PRO 60 2HG PRO 60 -19.022 -3.463 -6.824 479 HG3 PRO 60 3HG PRO 60 -19.225 -5.125 -6.234 480 HD2 PRO 60 2HD PRO 60 -18.071 -3.264 -4.708 481 HD3 PRO 60 3HD PRO 60 -17.454 -4.931 -4.722 482 H ASP 61 H ASP 61 -16.464 -1.513 -7.042 483 HA ASP 61 HA ASP 61 -16.903 -0.652 -9.664 484 HB2 ASP 61 2HB ASP 61 -17.381 0.742 -7.719 485 HB3 ASP 61 3HB ASP 61 -15.663 0.866 -7.358 486 H LYS 62 H LYS 62 -13.803 -0.707 -7.851 487 HA LYS 62 HA LYS 62 -12.381 0.151 -10.240 488 HB2 LYS 62 2HB LYS 62 -11.871 0.261 -7.435 489 HB3 LYS 62 3HB LYS 62 -10.555 -0.637 -8.174 490 HG2 LYS 62 2HG LYS 62 -11.481 2.128 -8.950 491 HG3 LYS 62 3HG LYS 62 -10.033 1.732 -8.024 492 HD2 LYS 62 2HD LYS 62 -10.561 0.823 -10.864 493 HD3 LYS 62 3HD LYS 62 -9.590 2.228 -10.429 494 HE2 LYS 62 2HE LYS 62 -8.038 0.769 -9.201 495 HE3 LYS 62 3HE LYS 62 -9.008 -0.635 -9.649 496 HZ1 LYS 62 3HZ LYS 62 -7.083 -0.366 -11.093 497 HZ2 LYS 62 1HZ LYS 62 -7.612 1.172 -11.552 498 HZ3 LYS 62 2HZ LYS 62 -8.519 -0.192 -11.972 499 H GLU 63 H GLU 63 -11.799 -1.247 -11.764 500 HA GLU 63 HA GLU 63 -10.823 -3.918 -10.941 501 HB2 GLU 63 2HB GLU 63 -11.575 -4.783 -13.107 502 HB3 GLU 63 3HB GLU 63 -12.918 -4.090 -12.210 503 HG2 GLU 63 2HG GLU 63 -12.878 -2.103 -13.573 504 HG3 GLU 63 3HG GLU 63 -11.427 -2.657 -14.406 505 H LEU 64 H LEU 64 -9.479 -4.845 -12.956 506 HA LEU 64 HA LEU 64 -7.939 -2.900 -14.393 507 HB2 LEU 64 2HB LEU 64 -5.742 -3.494 -13.496 508 HB3 LEU 64 3HB LEU 64 -6.757 -2.740 -12.285 509 HG LEU 64 HG LEU 64 -6.259 -5.726 -12.452 510 HD11 LEU 64 1HD1 LEU 64 -4.179 -4.542 -11.984 511 HD12 LEU 64 2HD1 LEU 64 -4.741 -5.408 -10.557 512 HD13 LEU 64 3HD1 LEU 64 -4.955 -3.660 -10.670 513 HD21 LEU 64 3HD2 LEU 64 -7.145 -5.751 -10.161 514 HD22 LEU 64 1HD2 LEU 64 -8.343 -5.155 -11.310 515 HD23 LEU 64 2HD2 LEU 64 -7.479 -4.023 -10.268 516 H GLU 65 H GLU 65 -8.639 -4.004 -16.213 517 HA GLU 65 HA GLU 65 -8.068 -6.851 -16.495 518 HB2 GLU 65 2HB GLU 65 -9.282 -6.732 -18.579 519 HB3 GLU 65 3HB GLU 65 -10.200 -5.877 -17.347 520 HG2 GLU 65 2HG GLU 65 -9.494 -3.746 -18.218 521 HG3 GLU 65 3HG GLU 65 -8.404 -4.529 -19.361 522 H HIS 66 H HIS 66 -7.181 -7.485 -18.770 523 HA HIS 66 HA HIS 66 -5.141 -5.677 -19.794 524 HB2 HIS 66 2HB HIS 66 -3.344 -7.414 -19.585 525 HB3 HIS 66 3HB HIS 66 -3.879 -6.745 -18.050 526 HD1 HIS 66 HD1 HIS 66 -3.805 -9.915 -20.020 527 HD2 HIS 66 HD2 HIS 66 -5.192 -8.547 -16.351 528 HE1 HIS 66 HE1 HIS 66 -4.381 -11.975 -18.710 529 HE2 HIS 66 HE2 HIS 66 -5.386 -11.116 -16.572 530 H HIS 67 H HIS 67 -5.652 -5.670 -21.905 531 HA HIS 67 HA HIS 67 -6.695 -7.954 -23.295 532 HB2 HIS 67 2HB HIS 67 -5.616 -5.309 -24.304 533 HB3 HIS 67 3HB HIS 67 -6.324 -6.538 -25.348 534 HD1 HIS 67 HD1 HIS 67 -8.878 -6.854 -25.253 535 HD2 HIS 67 HD2 HIS 67 -7.475 -3.888 -22.704 536 HE1 HIS 67 HE1 HIS 67 -10.914 -5.609 -24.490 537 HE2 HIS 67 HE2 HIS 67 -10.063 -3.988 -22.773 538 H HIS 68 H HIS 68 -3.533 -6.667 -22.694 539 HA HIS 68 HA HIS 68 -2.393 -9.204 -23.517 540 HB2 HIS 68 2HB HIS 68 -0.642 -8.266 -24.907 541 HB3 HIS 68 3HB HIS 68 -2.201 -7.774 -25.555 542 HD1 HIS 68 HD1 HIS 68 0.943 -6.461 -24.143 543 HD2 HIS 68 HD2 HIS 68 -2.794 -4.994 -25.208 544 HE1 HIS 68 HE1 HIS 68 1.198 -3.969 -24.213 545 HE2 HIS 68 HE2 HIS 68 -1.026 -3.118 -25.022 546 H HIS 69 H HIS 69 -0.705 -9.796 -22.196 547 HA HIS 69 HA HIS 69 -0.424 -8.383 -19.752 548 HB2 HIS 69 2HB HIS 69 1.352 -10.107 -19.250 549 HB3 HIS 69 3HB HIS 69 -0.227 -10.748 -19.676 550 HD1 HIS 69 HD1 HIS 69 2.604 -9.700 -22.011 551 HD2 HIS 69 HD2 HIS 69 0.372 -13.048 -20.970 552 HE1 HIS 69 HE1 HIS 69 3.348 -11.514 -23.572 553 HE2 HIS 69 HE2 HIS 69 2.131 -13.571 -22.792 554 H HIS 70 H HIS 70 1.214 -7.160 -18.882 555 HA HIS 70 HA HIS 70 3.091 -5.888 -20.681 556 HB2 HIS 70 2HB HIS 70 2.890 -5.668 -17.662 557 HB3 HIS 70 3HB HIS 70 3.783 -4.585 -18.726 558 HD1 HIS 70 HD1 HIS 70 1.114 -4.193 -16.755 559 HD2 HIS 70 HD2 HIS 70 1.446 -3.882 -20.887 560 HE1 HIS 70 HE1 HIS 70 -0.809 -2.749 -17.476 561 HE2 HIS 70 HE2 HIS 70 -0.663 -2.681 -19.986 562 H HIS 71 H HIS 71 3.206 -8.262 -18.085 563 HA HIS 71 HA HIS 71 4.752 -9.766 -17.403 564 HB2 HIS 71 2HB HIS 71 4.923 -10.331 -19.803 565 HB3 HIS 71 3HB HIS 71 6.183 -9.118 -19.998 566 HD1 HIS 71 HD1 HIS 71 8.531 -9.701 -19.145 567 HD2 HIS 71 HD2 HIS 71 5.739 -12.704 -18.500 568 HE1 HIS 71 HE1 HIS 71 9.858 -11.724 -18.479 569 HE2 HIS 71 HE2 HIS 71 8.141 -13.467 -17.934 Start of MODEL 11 1 H1 MET 1 1H MET 1 -25.407 -15.010 -15.676 2 H2 MET 1 2H MET 1 -27.085 -14.985 -15.875 3 H3 MET 1 3H MET 1 -26.362 -16.198 -14.943 4 HA MET 1 HA MET 1 -26.425 -13.304 -14.313 5 HB2 MET 1 2HB MET 1 -27.811 -15.664 -13.012 6 HB3 MET 1 3HB MET 1 -27.826 -14.021 -12.385 7 HG2 MET 1 2HG MET 1 -29.010 -13.248 -14.357 8 HG3 MET 1 3HG MET 1 -28.940 -14.866 -15.055 9 HE1 MET 1 3HE MET 1 -31.219 -16.891 -12.576 10 HE2 MET 1 1HE MET 1 -29.474 -16.672 -12.461 11 HE3 MET 1 2HE MET 1 -30.222 -16.969 -14.027 12 HA PRO 2 HA PRO 2 -22.637 -14.088 -12.163 13 HB2 PRO 2 2HB PRO 2 -23.495 -11.897 -10.344 14 HB3 PRO 2 3HB PRO 2 -22.028 -12.046 -11.318 15 HG2 PRO 2 2HG PRO 2 -23.975 -10.372 -12.039 16 HG3 PRO 2 3HG PRO 2 -23.082 -11.306 -13.257 17 HD2 PRO 2 2HD PRO 2 -25.819 -11.794 -12.128 18 HD3 PRO 2 3HD PRO 2 -25.247 -11.938 -13.805 19 H THR 3 H THR 3 -22.863 -16.052 -11.095 20 HA THR 3 HA THR 3 -24.161 -16.219 -8.504 21 HB THR 3 HB THR 3 -22.372 -18.160 -9.998 22 HG1 THR 3 HG1 THR 3 -24.808 -19.100 -9.320 23 HG21 THR 3 3HG2 THR 3 -21.972 -18.432 -7.588 24 HG22 THR 3 1HG2 THR 3 -22.855 -19.808 -8.251 25 HG23 THR 3 2HG2 THR 3 -23.708 -18.581 -7.314 26 H LYS 4 H LYS 4 -23.210 -15.881 -6.533 27 HA LYS 4 HA LYS 4 -20.514 -14.753 -6.569 28 HB2 LYS 4 2HB LYS 4 -22.607 -14.746 -4.381 29 HB3 LYS 4 3HB LYS 4 -21.047 -13.943 -4.288 30 HG2 LYS 4 2HG LYS 4 -22.603 -12.261 -4.811 31 HG3 LYS 4 3HG LYS 4 -21.753 -12.601 -6.319 32 HD2 LYS 4 2HD LYS 4 -23.623 -14.012 -7.054 33 HD3 LYS 4 3HD LYS 4 -24.468 -13.689 -5.539 34 HE2 LYS 4 2HE LYS 4 -24.523 -11.293 -6.103 35 HE3 LYS 4 3HE LYS 4 -23.718 -11.644 -7.634 36 HZ1 LYS 4 3HZ LYS 4 -25.599 -12.991 -8.285 37 HZ2 LYS 4 1HZ LYS 4 -26.119 -11.431 -7.887 38 HZ3 LYS 4 2HZ LYS 4 -26.363 -12.710 -6.804 39 HA PRO 5 HA PRO 5 -19.103 -18.475 -4.382 40 HB2 PRO 5 2HB PRO 5 -16.637 -18.564 -5.415 41 HB3 PRO 5 3HB PRO 5 -18.040 -19.034 -6.383 42 HG2 PRO 5 2HG PRO 5 -16.423 -16.531 -6.490 43 HG3 PRO 5 3HG PRO 5 -17.233 -17.403 -7.802 44 HD2 PRO 5 2HD PRO 5 -18.206 -15.124 -6.421 45 HD3 PRO 5 3HD PRO 5 -19.110 -16.143 -7.558 46 HA PRO 6 HA PRO 6 -17.171 -16.368 -0.911 47 HB2 PRO 6 2HB PRO 6 -15.683 -18.938 -0.582 48 HB3 PRO 6 3HB PRO 6 -16.626 -18.024 0.601 49 HG2 PRO 6 2HG PRO 6 -17.606 -20.250 -0.485 50 HG3 PRO 6 3HG PRO 6 -18.655 -18.849 -0.186 51 HD2 PRO 6 2HD PRO 6 -17.475 -19.823 -2.762 52 HD3 PRO 6 3HD PRO 6 -19.075 -19.118 -2.451 53 H TYR 7 H TYR 7 -15.912 -14.884 -2.092 54 HA TYR 7 HA TYR 7 -13.056 -15.492 -2.116 55 HB2 TYR 7 2HB TYR 7 -13.815 -16.033 -4.403 56 HB3 TYR 7 3HB TYR 7 -14.506 -14.424 -4.561 57 HD1 TYR 7 HD1 TYR 7 -11.214 -16.015 -3.724 58 HD2 TYR 7 HD2 TYR 7 -13.255 -12.845 -5.707 59 HE1 TYR 7 HE1 TYR 7 -9.073 -15.197 -4.614 60 HE2 TYR 7 HE2 TYR 7 -11.118 -12.023 -6.601 61 HH TYR 7 HH TYR 7 -8.718 -12.144 -6.056 62 HA PRO 8 HA PRO 8 -14.138 -11.280 -0.465 63 HB2 PRO 8 2HB PRO 8 -12.359 -11.994 1.752 64 HB3 PRO 8 3HB PRO 8 -14.063 -11.531 1.796 65 HG2 PRO 8 2HG PRO 8 -13.233 -14.055 2.338 66 HG3 PRO 8 3HG PRO 8 -14.798 -13.713 1.574 67 HD2 PRO 8 2HD PRO 8 -12.220 -14.594 0.305 68 HD3 PRO 8 3HD PRO 8 -13.878 -15.167 0.001 69 H ARG 9 H ARG 9 -12.971 -9.984 -1.821 70 HA ARG 9 HA ARG 9 -10.091 -10.143 -1.984 71 HB2 ARG 9 2HB ARG 9 -11.826 -7.910 -3.054 72 HB3 ARG 9 3HB ARG 9 -10.229 -8.398 -3.605 73 HG2 ARG 9 2HG ARG 9 -11.197 -10.542 -4.389 74 HG3 ARG 9 3HG ARG 9 -12.794 -9.954 -3.925 75 HD2 ARG 9 2HD ARG 9 -10.971 -8.917 -6.083 76 HD3 ARG 9 3HD ARG 9 -12.610 -9.543 -6.246 77 HE ARG 9 HE ARG 9 -11.832 -6.869 -5.600 78 HH11 ARG 9 1HH1 ARG 9 -14.363 -9.189 -5.248 79 HH12 ARG 9 2HH1 ARG 9 -15.561 -7.981 -4.948 80 HH21 ARG 9 1HH2 ARG 9 -13.368 -5.343 -5.244 81 HH22 ARG 9 2HH2 ARG 9 -15.003 -5.826 -4.953 82 H GLU 10 H GLU 10 -9.488 -9.797 0.200 83 HA GLU 10 HA GLU 10 -10.231 -7.310 1.514 84 HB2 GLU 10 2HB GLU 10 -8.422 -9.536 2.492 85 HB3 GLU 10 3HB GLU 10 -9.097 -8.236 3.466 86 HG2 GLU 10 2HG GLU 10 -11.362 -9.114 3.018 87 HG3 GLU 10 3HG GLU 10 -10.645 -10.442 2.106 88 H ALA 11 H ALA 11 -9.042 -5.503 1.412 89 HA ALA 11 HA ALA 11 -6.240 -5.673 0.488 90 HB1 ALA 11 3HB ALA 11 -7.705 -4.353 -0.939 91 HB2 ALA 11 1HB ALA 11 -6.505 -3.317 -0.164 92 HB3 ALA 11 2HB ALA 11 -8.164 -3.346 0.433 93 H TYR 12 H TYR 12 -4.593 -4.585 1.600 94 HA TYR 12 HA TYR 12 -5.266 -3.165 4.071 95 HB2 TYR 12 2HB TYR 12 -3.621 -4.499 5.382 96 HB3 TYR 12 3HB TYR 12 -5.027 -5.424 4.866 97 HD1 TYR 12 HD1 TYR 12 -4.802 -7.100 3.036 98 HD2 TYR 12 HD2 TYR 12 -1.414 -5.086 4.646 99 HE1 TYR 12 HE1 TYR 12 -3.329 -8.810 2.060 100 HE2 TYR 12 HE2 TYR 12 0.068 -6.783 3.664 101 HH TYR 12 HH TYR 12 -0.959 -8.992 1.334 102 H ILE 13 H ILE 13 -3.560 -1.886 4.950 103 HA ILE 13 HA ILE 13 -1.705 -0.943 2.886 104 HB ILE 13 HB ILE 13 -2.498 0.344 5.510 105 HG12 ILE 13 2HG1 ILE 13 -3.357 1.007 2.676 106 HG13 ILE 13 3HG1 ILE 13 -4.352 0.178 3.867 107 HG21 ILE 13 1HG2 ILE 13 -0.902 1.465 3.201 108 HG22 ILE 13 2HG2 ILE 13 -0.274 1.049 4.795 109 HG23 ILE 13 3HG2 ILE 13 -1.429 2.368 4.622 110 HD11 ILE 13 3HD1 ILE 13 -4.313 2.164 5.283 111 HD12 ILE 13 1HD1 ILE 13 -4.959 2.516 3.683 112 HD13 ILE 13 2HD1 ILE 13 -3.313 2.995 4.092 113 H VAL 14 H VAL 14 0.463 -1.054 3.050 114 HA VAL 14 HA VAL 14 1.678 -1.976 5.582 115 HB VAL 14 HB VAL 14 2.495 -2.732 2.763 116 HG11 VAL 14 1HG1 VAL 14 4.464 -2.411 4.165 117 HG12 VAL 14 2HG1 VAL 14 4.222 -4.122 3.820 118 HG13 VAL 14 3HG1 VAL 14 3.778 -3.470 5.398 119 HG21 VAL 14 3HG2 VAL 14 0.545 -3.968 3.532 120 HG22 VAL 14 1HG2 VAL 14 1.379 -4.400 5.026 121 HG23 VAL 14 2HG2 VAL 14 1.952 -5.028 3.480 122 H THR 15 H THR 15 3.418 -0.840 6.314 123 HA THR 15 HA THR 15 4.161 1.572 4.809 124 HB THR 15 HB THR 15 5.121 2.412 6.900 125 HG1 THR 15 HG1 THR 15 4.894 -0.230 7.656 126 HG21 THR 15 3HG2 THR 15 3.061 2.627 8.192 127 HG22 THR 15 1HG2 THR 15 2.354 1.263 7.326 128 HG23 THR 15 2HG2 THR 15 2.721 2.761 6.468 129 H ILE 16 H ILE 16 6.035 1.736 3.774 130 HA ILE 16 HA ILE 16 8.303 0.019 4.588 131 HB ILE 16 HB ILE 16 8.989 -0.244 2.285 132 HG12 ILE 16 2HG1 ILE 16 6.504 1.299 1.472 133 HG13 ILE 16 3HG1 ILE 16 8.125 1.989 1.499 134 HG21 ILE 16 1HG2 ILE 16 7.429 -1.907 3.118 135 HG22 ILE 16 2HG2 ILE 16 7.114 -1.601 1.411 136 HG23 ILE 16 3HG2 ILE 16 6.059 -0.901 2.641 137 HD11 ILE 16 3HD1 ILE 16 7.232 -0.334 -0.196 138 HD12 ILE 16 1HD1 ILE 16 8.844 0.385 -0.184 139 HD13 ILE 16 2HD1 ILE 16 7.461 1.329 -0.743 140 H GLU 17 H GLU 17 10.430 0.867 3.634 141 HA GLU 17 HA GLU 17 10.495 3.824 3.581 142 HB2 GLU 17 2HB GLU 17 12.380 1.953 5.041 143 HB3 GLU 17 3HB GLU 17 12.686 3.669 4.807 144 HG2 GLU 17 2HG GLU 17 10.752 4.245 6.130 145 HG3 GLU 17 3HG GLU 17 10.294 2.548 6.260 146 H LYS 18 H LYS 18 11.729 4.717 1.987 147 HA LYS 18 HA LYS 18 13.422 2.905 0.369 148 HB2 LYS 18 2HB LYS 18 11.722 5.216 -0.598 149 HB3 LYS 18 3HB LYS 18 12.812 4.275 -1.605 150 HG2 LYS 18 2HG LYS 18 11.451 2.254 -1.119 151 HG3 LYS 18 3HG LYS 18 10.326 3.276 -0.216 152 HD2 LYS 18 2HD LYS 18 9.948 4.615 -2.272 153 HD3 LYS 18 3HD LYS 18 11.003 3.508 -3.156 154 HE2 LYS 18 2HE LYS 18 9.474 1.656 -2.633 155 HE3 LYS 18 3HE LYS 18 8.421 2.778 -1.768 156 HZ1 LYS 18 3HZ LYS 18 7.549 2.454 -3.940 157 HZ2 LYS 18 1HZ LYS 18 9.039 2.777 -4.667 158 HZ3 LYS 18 2HZ LYS 18 8.196 4.015 -3.894 159 H GLY 19 H GLY 19 15.229 3.890 -0.741 160 HA2 GLY 19 2HA GLY 19 16.651 5.759 -1.225 161 HA3 GLY 19 3HA GLY 19 16.035 6.568 0.204 162 H LYS 20 H LYS 20 17.825 6.941 1.378 163 HA LYS 20 HA LYS 20 19.927 4.911 1.545 164 HB2 LYS 20 2HB LYS 20 19.891 7.796 2.467 165 HB3 LYS 20 3HB LYS 20 21.297 6.736 2.471 166 HG2 LYS 20 2HG LYS 20 21.292 6.612 0.076 167 HG3 LYS 20 3HG LYS 20 19.765 7.490 -0.013 168 HD2 LYS 20 2HD LYS 20 20.892 9.464 0.990 169 HD3 LYS 20 3HD LYS 20 22.417 8.574 0.959 170 HE2 LYS 20 2HE LYS 20 22.193 10.093 -0.964 171 HE3 LYS 20 3HE LYS 20 22.304 8.405 -1.460 172 HZ1 LYS 20 3HZ LYS 20 20.600 9.465 -2.727 173 HZ2 LYS 20 1HZ LYS 20 19.840 10.067 -1.340 174 HZ3 LYS 20 2HZ LYS 20 19.847 8.405 -1.649 175 HA PRO 21 HA PRO 21 19.161 3.372 5.595 176 HB2 PRO 21 2HB PRO 21 21.639 3.764 6.832 177 HB3 PRO 21 3HB PRO 21 21.191 2.376 5.838 178 HG2 PRO 21 2HG PRO 21 22.702 4.844 5.074 179 HG3 PRO 21 3HG PRO 21 22.986 3.159 4.590 180 HD2 PRO 21 2HD PRO 21 21.813 4.870 2.913 181 HD3 PRO 21 3HD PRO 21 21.245 3.189 3.029 182 H GLY 22 H GLY 22 18.107 4.216 7.291 183 HA2 GLY 22 2HA GLY 22 17.575 5.618 9.053 184 HA3 GLY 22 3HA GLY 22 19.078 6.486 8.777 185 H GLN 23 H GLN 23 19.014 7.744 6.569 186 HA GLN 23 HA GLN 23 16.785 9.572 6.786 187 HB2 GLN 23 2HB GLN 23 19.083 9.644 4.815 188 HB3 GLN 23 3HB GLN 23 17.997 10.968 5.216 189 HG2 GLN 23 2HG GLN 23 20.043 9.695 7.023 190 HG3 GLN 23 3HG GLN 23 20.121 11.299 6.300 191 HE21 GLN 23 1HE2 GLN 23 17.275 11.834 6.821 192 HE22 GLN 23 2HE2 GLN 23 17.164 12.138 8.515 193 H THR 24 H THR 24 15.222 7.869 6.144 194 HA THR 24 HA THR 24 15.145 7.310 3.246 195 HB THR 24 HB THR 24 13.620 5.488 3.748 196 HG1 THR 24 HG1 THR 24 13.502 5.170 6.271 197 HG21 THR 24 3HG2 THR 24 16.027 5.005 3.977 198 HG22 THR 24 1HG2 THR 24 15.051 4.031 5.077 199 HG23 THR 24 2HG2 THR 24 15.940 5.425 5.688 200 H VAL 25 H VAL 25 12.911 7.138 2.301 201 HA VAL 25 HA VAL 25 11.012 9.075 3.476 202 HB VAL 25 HB VAL 25 11.179 8.082 0.618 203 HG11 VAL 25 1HG1 VAL 25 8.869 8.508 1.259 204 HG12 VAL 25 2HG1 VAL 25 9.431 9.751 0.140 205 HG13 VAL 25 3HG1 VAL 25 9.311 10.104 1.867 206 HG21 VAL 25 3HG2 VAL 25 12.982 9.634 1.161 207 HG22 VAL 25 1HG2 VAL 25 11.813 10.789 1.801 208 HG23 VAL 25 2HG2 VAL 25 11.815 10.400 0.081 209 H THR 26 H THR 26 9.106 8.329 4.232 210 HA THR 26 HA THR 26 8.673 5.458 4.261 211 HB THR 26 HB THR 26 7.071 7.664 5.587 212 HG1 THR 26 HG1 THR 26 8.232 6.725 7.483 213 HG21 THR 26 3HG2 THR 26 6.170 5.854 7.004 214 HG22 THR 26 1HG2 THR 26 7.033 4.668 6.023 215 HG23 THR 26 2HG2 THR 26 5.735 5.628 5.310 216 H TRP 27 H TRP 27 7.570 4.466 2.713 217 HA TRP 27 HA TRP 27 5.412 5.905 1.305 218 HB2 TRP 27 2HB TRP 27 7.222 3.653 0.426 219 HB3 TRP 27 3HB TRP 27 5.747 4.058 -0.446 220 HD1 TRP 27 HD1 TRP 27 9.158 5.615 0.491 221 HE1 TRP 27 HE1 TRP 27 9.702 7.437 -1.238 222 HE3 TRP 27 HE3 TRP 27 4.786 5.552 -2.167 223 HZ2 TRP 27 HZ2 TRP 27 8.449 8.691 -3.434 224 HZ3 TRP 27 HZ3 TRP 27 4.540 7.100 -4.067 225 HH2 TRP 27 HH2 TRP 27 6.336 8.635 -4.689 226 H TYR 28 H TYR 28 3.438 4.850 0.873 227 HA TYR 28 HA TYR 28 2.832 2.597 2.688 228 HB2 TYR 28 2HB TYR 28 0.989 4.785 1.682 229 HB3 TYR 28 3HB TYR 28 0.518 3.462 2.746 230 HD1 TYR 28 HD2 TYR 28 2.530 6.557 2.506 231 HD2 TYR 28 HD1 TYR 28 1.010 3.531 5.092 232 HE1 TYR 28 HE2 TYR 28 3.178 7.902 4.455 233 HE2 TYR 28 HE1 TYR 28 1.653 4.875 7.046 234 HH TYR 28 HH TYR 28 3.368 6.699 7.557 235 H GLN 29 H GLN 29 2.542 0.732 1.661 236 HA GLN 29 HA GLN 29 1.642 0.720 -1.139 237 HB2 GLN 29 2HB GLN 29 2.860 -1.516 0.505 238 HB3 GLN 29 3HB GLN 29 2.451 -1.596 -1.203 239 HG2 GLN 29 2HG GLN 29 4.081 0.218 -1.635 240 HG3 GLN 29 3HG GLN 29 4.552 0.151 0.062 241 HE21 GLN 29 1HE2 GLN 29 6.098 -0.378 -2.370 242 HE22 GLN 29 2HE2 GLN 29 6.725 -1.976 -2.179 243 H LEU 30 H LEU 30 -0.313 -0.034 -1.716 244 HA LEU 30 HA LEU 30 -2.026 -1.290 0.293 245 HB2 LEU 30 2HB LEU 30 -2.971 0.477 -1.149 246 HB3 LEU 30 3HB LEU 30 -2.625 -0.499 -2.568 247 HG LEU 30 HG LEU 30 -4.190 -2.240 -1.698 248 HD11 LEU 30 1HD1 LEU 30 -4.083 -1.728 0.666 249 HD12 LEU 30 2HD1 LEU 30 -5.749 -1.610 0.099 250 HD13 LEU 30 3HD1 LEU 30 -4.810 -0.145 0.385 251 HD21 LEU 30 3HD2 LEU 30 -5.389 0.507 -2.066 252 HD22 LEU 30 1HD2 LEU 30 -6.236 -1.030 -2.255 253 HD23 LEU 30 2HD2 LEU 30 -4.925 -0.605 -3.354 254 H ARG 31 H ARG 31 -1.812 -3.438 0.550 255 HA ARG 31 HA ARG 31 -1.271 -5.107 -1.831 256 HB2 ARG 31 2HB ARG 31 -0.666 -5.938 1.006 257 HB3 ARG 31 3HB ARG 31 -0.001 -6.582 -0.491 258 HG2 ARG 31 2HG ARG 31 1.097 -4.318 -0.828 259 HG3 ARG 31 3HG ARG 31 0.625 -3.950 0.832 260 HD2 ARG 31 2HD ARG 31 2.853 -4.731 0.952 261 HD3 ARG 31 3HD ARG 31 1.848 -6.072 1.502 262 HE ARG 31 HE ARG 31 2.227 -6.390 -1.225 263 HH11 ARG 31 1HH1 ARG 31 4.144 -6.368 1.629 264 HH12 ARG 31 2HH1 ARG 31 5.304 -7.466 0.980 265 HH21 ARG 31 1HH2 ARG 31 3.725 -7.789 -2.046 266 HH22 ARG 31 2HH2 ARG 31 5.076 -8.256 -1.076 267 H ALA 32 H ALA 32 -2.414 -7.139 -1.993 268 HA ALA 32 HA ALA 32 -4.942 -7.093 -0.456 269 HB1 ALA 32 3HB ALA 32 -5.207 -6.483 -2.813 270 HB2 ALA 32 1HB ALA 32 -6.067 -7.968 -2.408 271 HB3 ALA 32 2HB ALA 32 -4.540 -8.044 -3.287 272 H ASP 33 H ASP 33 -6.076 -9.138 -0.239 273 HA ASP 33 HA ASP 33 -4.390 -11.115 0.913 274 HB2 ASP 33 2HB ASP 33 -6.595 -10.515 1.823 275 HB3 ASP 33 3HB ASP 33 -7.372 -11.159 0.381 276 H HIS 34 H HIS 34 -6.180 -10.958 -2.130 277 HA HIS 34 HA HIS 34 -4.820 -13.398 -3.024 278 HB2 HIS 34 2HB HIS 34 -7.797 -12.921 -3.090 279 HB3 HIS 34 3HB HIS 34 -7.027 -14.012 -4.237 280 HD1 HIS 34 HD1 HIS 34 -5.131 -15.587 -2.552 281 HD2 HIS 34 HD2 HIS 34 -8.930 -14.543 -1.231 282 HE1 HIS 34 HE1 HIS 34 -5.703 -17.256 -0.775 283 HE2 HIS 34 HE2 HIS 34 -7.934 -16.515 0.119 284 HA PRO 35 HA PRO 35 -5.450 -14.698 -5.433 285 HB2 PRO 35 2HB PRO 35 -3.178 -15.005 -6.973 286 HB3 PRO 35 3HB PRO 35 -4.805 -14.773 -7.618 287 HG2 PRO 35 2HG PRO 35 -2.625 -12.758 -7.208 288 HG3 PRO 35 3HG PRO 35 -3.727 -12.951 -8.585 289 HD2 PRO 35 2HD PRO 35 -4.134 -11.051 -6.743 290 HD3 PRO 35 3HD PRO 35 -5.497 -11.928 -7.474 291 H LYS 36 H LYS 36 -2.291 -13.020 -5.114 292 HA LYS 36 HA LYS 36 -1.637 -14.862 -2.895 293 HB2 LYS 36 2HB LYS 36 0.210 -13.299 -4.719 294 HB3 LYS 36 3HB LYS 36 0.744 -14.225 -3.323 295 HG2 LYS 36 2HG LYS 36 -0.238 -16.265 -4.401 296 HG3 LYS 36 3HG LYS 36 -0.528 -15.286 -5.844 297 HD2 LYS 36 2HD LYS 36 1.881 -14.787 -5.972 298 HD3 LYS 36 3HD LYS 36 2.155 -15.792 -4.545 299 HE2 LYS 36 2HE LYS 36 1.045 -16.746 -7.193 300 HE3 LYS 36 3HE LYS 36 2.694 -16.988 -6.618 301 HZ1 LYS 36 3HZ LYS 36 1.459 -18.965 -6.211 302 HZ2 LYS 36 1HZ LYS 36 0.213 -18.115 -5.440 303 HZ3 LYS 36 2HZ LYS 36 1.738 -18.232 -4.717 304 HA PRO 37 HA PRO 37 -1.822 -11.450 -0.072 305 HB2 PRO 37 2HB PRO 37 0.128 -12.123 1.734 306 HB3 PRO 37 3HB PRO 37 -1.457 -12.901 1.665 307 HG2 PRO 37 2HG PRO 37 1.159 -13.834 0.541 308 HG3 PRO 37 3HG PRO 37 -0.085 -14.762 1.400 309 HD2 PRO 37 2HD PRO 37 0.161 -14.825 -1.295 310 HD3 PRO 37 3HD PRO 37 -1.413 -14.963 -0.490 311 H ASP 38 H ASP 38 1.215 -12.239 -1.611 312 HA ASP 38 HA ASP 38 2.595 -9.845 -0.832 313 HB2 ASP 38 2HB ASP 38 3.740 -11.971 -1.447 314 HB3 ASP 38 3HB ASP 38 3.180 -11.768 -3.102 315 H SER 39 H SER 39 0.058 -10.382 -2.947 316 HA SER 39 HA SER 39 0.674 -9.015 -5.284 317 HB2 SER 39 2HB SER 39 -1.736 -8.740 -5.608 318 HB3 SER 39 3HB SER 39 -1.389 -10.342 -4.962 319 HG SER 39 HG SER 39 -2.293 -9.812 -3.079 320 H LEU 40 H LEU 40 1.373 -7.005 -5.568 321 HA LEU 40 HA LEU 40 0.604 -4.882 -3.708 322 HB2 LEU 40 2HB LEU 40 2.968 -5.093 -4.248 323 HB3 LEU 40 3HB LEU 40 2.621 -4.947 -5.961 324 HG LEU 40 HG LEU 40 1.881 -2.625 -5.620 325 HD11 LEU 40 1HD1 LEU 40 1.052 -2.795 -3.349 326 HD12 LEU 40 2HD1 LEU 40 2.263 -1.518 -3.465 327 HD13 LEU 40 3HD1 LEU 40 2.688 -3.073 -2.750 328 HD21 LEU 40 3HD2 LEU 40 4.616 -3.160 -4.454 329 HD22 LEU 40 1HD2 LEU 40 4.063 -1.653 -5.184 330 HD23 LEU 40 2HD2 LEU 40 4.228 -3.102 -6.174 331 H ILE 41 H ILE 41 -1.149 -3.704 -4.153 332 HA ILE 41 HA ILE 41 -2.307 -3.577 -6.791 333 HB ILE 41 HB ILE 41 -3.062 -2.060 -4.279 334 HG12 ILE 41 2HG1 ILE 41 -3.255 -4.481 -3.963 335 HG13 ILE 41 3HG1 ILE 41 -4.852 -3.750 -4.046 336 HG21 ILE 41 1HG2 ILE 41 -3.897 -0.956 -6.286 337 HG22 ILE 41 2HG2 ILE 41 -5.223 -1.684 -5.383 338 HG23 ILE 41 3HG2 ILE 41 -4.615 -2.469 -6.840 339 HD11 ILE 41 3HD1 ILE 41 -5.066 -4.495 -6.366 340 HD12 ILE 41 1HD1 ILE 41 -4.788 -5.840 -5.258 341 HD13 ILE 41 2HD1 ILE 41 -3.471 -5.241 -6.266 342 H SER 42 H SER 42 -0.960 -1.113 -4.564 343 HA SER 42 HA SER 42 0.421 0.259 -6.642 344 HB2 SER 42 2HB SER 42 -1.849 1.029 -7.219 345 HB3 SER 42 3HB SER 42 -2.061 1.647 -5.582 346 HG SER 42 HG SER 42 -0.192 2.525 -7.537 347 H GLU 43 H GLU 43 1.471 2.262 -5.886 348 HA GLU 43 HA GLU 43 1.926 2.238 -2.962 349 HB2 GLU 43 2HB GLU 43 3.878 2.899 -5.187 350 HB3 GLU 43 3HB GLU 43 4.228 3.012 -3.467 351 HG2 GLU 43 2HG GLU 43 3.960 0.621 -3.219 352 HG3 GLU 43 3HG GLU 43 3.497 0.471 -4.912 353 H HIS 44 H HIS 44 1.848 4.163 -1.870 354 HA HIS 44 HA HIS 44 1.822 6.681 -3.367 355 HB2 HIS 44 2HB HIS 44 -0.409 5.808 -1.511 356 HB3 HIS 44 3HB HIS 44 -0.181 7.468 -2.050 357 HD1 HIS 44 HD1 HIS 44 -1.866 4.399 -2.960 358 HD2 HIS 44 HD2 HIS 44 -0.379 7.699 -4.991 359 HE1 HIS 44 HE1 HIS 44 -2.992 4.369 -5.200 360 HE2 HIS 44 HE2 HIS 44 -1.907 6.244 -6.479 361 HA PRO 45 HA PRO 45 4.252 7.969 0.102 362 HB2 PRO 45 2HB PRO 45 4.215 10.641 -0.197 363 HB3 PRO 45 3HB PRO 45 5.011 9.588 -1.373 364 HG2 PRO 45 2HG PRO 45 2.296 10.859 -1.514 365 HG3 PRO 45 3HG PRO 45 3.544 10.754 -2.769 366 HD2 PRO 45 2HD PRO 45 1.402 9.062 -2.647 367 HD3 PRO 45 3HD PRO 45 2.971 8.599 -3.339 368 H THR 46 H THR 46 0.925 8.508 0.007 369 HA THR 46 HA THR 46 0.913 9.456 2.807 370 HB THR 46 HB THR 46 -1.089 10.744 2.432 371 HG1 THR 46 HG1 THR 46 -1.090 10.361 -0.341 372 HG21 THR 46 3HG2 THR 46 0.891 11.343 0.226 373 HG22 THR 46 1HG2 THR 46 1.008 11.900 1.893 374 HG23 THR 46 2HG2 THR 46 -0.310 12.463 0.867 375 H ALA 47 H ALA 47 -0.561 8.489 4.191 376 HA ALA 47 HA ALA 47 -1.503 5.893 3.546 377 HB1 ALA 47 3HB ALA 47 -2.540 5.919 5.753 378 HB2 ALA 47 1HB ALA 47 -2.284 7.662 5.867 379 HB3 ALA 47 2HB ALA 47 -0.902 6.568 5.827 380 H GLN 48 H GLN 48 -3.015 9.066 3.554 381 HA GLN 48 HA GLN 48 -5.707 8.385 3.414 382 HB2 GLN 48 2HB GLN 48 -4.593 10.695 3.610 383 HB3 GLN 48 3HB GLN 48 -4.486 10.670 1.859 384 HG2 GLN 48 2HG GLN 48 -7.091 10.355 3.335 385 HG3 GLN 48 3HG GLN 48 -6.438 11.922 2.879 386 HE21 GLN 48 1HE2 GLN 48 -7.927 9.001 1.731 387 HE22 GLN 48 2HE2 GLN 48 -8.250 9.569 0.136 388 H GLU 49 H GLU 49 -3.462 8.923 0.659 389 HA GLU 49 HA GLU 49 -5.229 8.208 -1.391 390 HB2 GLU 49 2HB GLU 49 -2.224 7.905 -1.247 391 HB3 GLU 49 3HB GLU 49 -3.164 7.680 -2.716 392 HG2 GLU 49 2HG GLU 49 -3.905 10.010 -2.608 393 HG3 GLU 49 3HG GLU 49 -2.968 10.236 -1.128 394 H ALA 50 H ALA 50 -3.074 6.166 0.551 395 HA ALA 50 HA ALA 50 -3.510 3.733 -0.802 396 HB1 ALA 50 3HB ALA 50 -1.692 4.073 0.806 397 HB2 ALA 50 1HB ALA 50 -2.661 2.658 1.219 398 HB3 ALA 50 2HB ALA 50 -2.868 4.163 2.119 399 H MET 51 H MET 51 -5.278 5.285 1.846 400 HA MET 51 HA MET 51 -7.149 3.180 2.277 401 HB2 MET 51 2HB MET 51 -7.381 6.147 2.849 402 HB3 MET 51 3HB MET 51 -8.489 4.920 3.450 403 HG2 MET 51 2HG MET 51 -6.678 3.884 4.712 404 HG3 MET 51 3HG MET 51 -5.545 5.079 4.079 405 HE1 MET 51 3HE MET 51 -5.880 6.090 7.845 406 HE2 MET 51 1HE MET 51 -4.762 5.686 6.543 407 HE3 MET 51 2HE MET 51 -5.871 4.464 7.165 408 H ASP 52 H ASP 52 -7.248 6.141 0.320 409 HA ASP 52 HA ASP 52 -9.814 5.973 -0.710 410 HB2 ASP 52 2HB ASP 52 -8.377 7.908 -1.046 411 HB3 ASP 52 3HB ASP 52 -7.277 6.957 -2.041 412 H ALA 53 H ALA 53 -6.845 4.463 -1.944 413 HA ALA 53 HA ALA 53 -8.099 3.111 -4.118 414 HB1 ALA 53 3HB ALA 53 -5.503 2.486 -2.700 415 HB2 ALA 53 1HB ALA 53 -5.698 3.564 -4.083 416 HB3 ALA 53 2HB ALA 53 -6.010 1.838 -4.259 417 H LYS 54 H LYS 54 -7.340 2.162 -0.769 418 HA LYS 54 HA LYS 54 -8.006 -0.547 -0.859 419 HB2 LYS 54 2HB LYS 54 -6.959 0.553 1.092 420 HB3 LYS 54 3HB LYS 54 -8.457 1.411 1.415 421 HG2 LYS 54 2HG LYS 54 -9.579 -0.736 1.854 422 HG3 LYS 54 3HG LYS 54 -8.055 -1.579 1.563 423 HD2 LYS 54 2HD LYS 54 -7.032 -0.322 3.433 424 HD3 LYS 54 3HD LYS 54 -8.580 0.461 3.737 425 HE2 LYS 54 2HE LYS 54 -8.012 -2.498 3.935 426 HE3 LYS 54 3HE LYS 54 -8.196 -1.389 5.288 427 HZ1 LYS 54 3HZ LYS 54 -10.289 -2.182 3.340 428 HZ2 LYS 54 1HZ LYS 54 -10.498 -0.978 4.508 429 HZ3 LYS 54 2HZ LYS 54 -10.226 -2.582 4.975 430 H LYS 55 H LYS 55 -10.112 2.225 -0.115 431 HA LYS 55 HA LYS 55 -12.512 0.805 0.241 432 HB2 LYS 55 2HB LYS 55 -12.176 3.624 -0.816 433 HB3 LYS 55 3HB LYS 55 -13.621 2.957 -0.066 434 HG2 LYS 55 2HG LYS 55 -12.499 2.784 2.064 435 HG3 LYS 55 3HG LYS 55 -10.970 3.284 1.337 436 HD2 LYS 55 2HD LYS 55 -12.044 5.457 0.729 437 HD3 LYS 55 3HD LYS 55 -13.479 4.945 1.621 438 HE2 LYS 55 2HE LYS 55 -10.707 5.325 2.770 439 HE3 LYS 55 3HE LYS 55 -12.078 6.412 2.987 440 HZ1 LYS 55 3HZ LYS 55 -13.256 4.539 4.072 441 HZ2 LYS 55 1HZ LYS 55 -11.871 5.037 4.907 442 HZ3 LYS 55 2HZ LYS 55 -11.833 3.630 3.985 443 H ARG 56 H ARG 56 -11.171 2.380 -2.651 444 HA ARG 56 HA ARG 56 -13.352 1.843 -4.374 445 HB2 ARG 56 2HB ARG 56 -11.420 3.533 -4.639 446 HB3 ARG 56 3HB ARG 56 -10.505 2.189 -5.306 447 HG2 ARG 56 2HG ARG 56 -12.234 1.903 -7.043 448 HG3 ARG 56 3HG ARG 56 -13.096 3.297 -6.386 449 HD2 ARG 56 2HD ARG 56 -11.841 4.109 -8.220 450 HD3 ARG 56 3HD ARG 56 -10.973 4.627 -6.776 451 HE ARG 56 HE ARG 56 -10.103 2.136 -8.008 452 HH11 ARG 56 1HH1 ARG 56 -9.558 5.502 -7.520 453 HH12 ARG 56 2HH1 ARG 56 -7.962 5.450 -8.178 454 HH21 ARG 56 1HH2 ARG 56 -8.050 2.082 -8.850 455 HH22 ARG 56 2HH2 ARG 56 -7.111 3.533 -8.920 456 H TYR 57 H TYR 57 -10.624 -0.076 -3.388 457 HA TYR 57 HA TYR 57 -10.888 -2.065 -5.460 458 HB2 TYR 57 2HB TYR 57 -8.720 -1.709 -4.410 459 HB3 TYR 57 3HB TYR 57 -9.387 -2.068 -2.824 460 HD1 TYR 57 HD1 TYR 57 -8.371 -3.538 -6.058 461 HD2 TYR 57 HD2 TYR 57 -9.696 -4.341 -2.089 462 HE1 TYR 57 HE1 TYR 57 -7.761 -5.908 -6.336 463 HE2 TYR 57 HE2 TYR 57 -9.090 -6.704 -2.357 464 HH TYR 57 HH TYR 57 -7.186 -7.846 -4.919 465 H GLU 58 H GLU 58 -11.679 -1.964 -1.979 466 HA GLU 58 HA GLU 58 -12.806 -4.569 -1.901 467 HB2 GLU 58 2HB GLU 58 -13.217 -2.254 0.004 468 HB3 GLU 58 3HB GLU 58 -13.591 -3.942 0.338 469 HG2 GLU 58 2HG GLU 58 -11.245 -4.530 0.150 470 HG3 GLU 58 3HG GLU 58 -10.842 -2.871 -0.280 471 H ASP 59 H ASP 59 -14.216 -1.376 -2.448 472 HA ASP 59 HA ASP 59 -16.851 -2.588 -2.906 473 HB2 ASP 59 2HB ASP 59 -15.950 0.306 -2.996 474 HB3 ASP 59 3HB ASP 59 -17.598 -0.239 -3.299 475 HA PRO 60 HA PRO 60 -15.462 -3.425 -7.140 476 HB2 PRO 60 2HB PRO 60 -18.448 -3.618 -7.420 477 HB3 PRO 60 3HB PRO 60 -17.187 -4.693 -8.043 478 HG2 PRO 60 2HG PRO 60 -18.567 -5.383 -5.882 479 HG3 PRO 60 3HG PRO 60 -16.823 -5.690 -5.964 480 HD2 PRO 60 2HD PRO 60 -18.308 -3.595 -4.438 481 HD3 PRO 60 3HD PRO 60 -16.816 -4.459 -4.013 482 H ASP 61 H ASP 61 -14.738 -1.414 -7.824 483 HA ASP 61 HA ASP 61 -16.681 0.251 -9.251 484 HB2 ASP 61 2HB ASP 61 -16.470 1.224 -6.979 485 HB3 ASP 61 3HB ASP 61 -14.734 1.380 -7.222 486 H LYS 62 H LYS 62 -13.208 0.012 -8.389 487 HA LYS 62 HA LYS 62 -12.402 -0.080 -11.145 488 HB2 LYS 62 2HB LYS 62 -12.913 2.350 -10.841 489 HB3 LYS 62 3HB LYS 62 -11.711 2.415 -9.566 490 HG2 LYS 62 2HG LYS 62 -10.751 3.311 -11.556 491 HG3 LYS 62 3HG LYS 62 -9.982 1.756 -11.228 492 HD2 LYS 62 2HD LYS 62 -11.389 0.680 -12.909 493 HD3 LYS 62 3HD LYS 62 -12.237 2.201 -13.201 494 HE2 LYS 62 2HE LYS 62 -10.560 1.769 -14.932 495 HE3 LYS 62 3HE LYS 62 -10.163 3.215 -14.007 496 HZ1 LYS 62 3HZ LYS 62 -8.201 1.900 -14.333 497 HZ2 LYS 62 1HZ LYS 62 -8.945 0.530 -13.685 498 HZ3 LYS 62 2HZ LYS 62 -8.609 1.859 -12.696 499 H GLU 63 H GLU 63 -11.116 -1.842 -10.702 500 HA GLU 63 HA GLU 63 -9.098 -1.583 -8.549 501 HB2 GLU 63 2HB GLU 63 -10.443 -4.095 -9.564 502 HB3 GLU 63 3HB GLU 63 -9.270 -4.009 -8.257 503 HG2 GLU 63 2HG GLU 63 -10.778 -2.836 -6.855 504 HG3 GLU 63 3HG GLU 63 -11.902 -2.560 -8.185 505 H LEU 64 H LEU 64 -7.348 -3.469 -8.927 506 HA LEU 64 HA LEU 64 -6.423 -3.294 -11.730 507 HB2 LEU 64 2HB LEU 64 -4.714 -3.161 -9.234 508 HB3 LEU 64 3HB LEU 64 -4.100 -3.237 -10.873 509 HG LEU 64 HG LEU 64 -5.383 -1.032 -11.266 510 HD11 LEU 64 1HD1 LEU 64 -5.306 -1.020 -8.249 511 HD12 LEU 64 2HD1 LEU 64 -6.750 -1.057 -9.258 512 HD13 LEU 64 3HD1 LEU 64 -5.701 0.358 -9.273 513 HD21 LEU 64 3HD2 LEU 64 -2.947 -1.190 -11.176 514 HD22 LEU 64 1HD2 LEU 64 -2.997 -1.072 -9.416 515 HD23 LEU 64 2HD2 LEU 64 -3.520 0.288 -10.408 516 H GLU 65 H GLU 65 -6.620 -5.304 -12.560 517 HA GLU 65 HA GLU 65 -5.684 -7.590 -10.925 518 HB2 GLU 65 2HB GLU 65 -7.171 -9.033 -12.123 519 HB3 GLU 65 3HB GLU 65 -8.113 -7.642 -11.603 520 HG2 GLU 65 2HG GLU 65 -8.237 -6.762 -13.767 521 HG3 GLU 65 3HG GLU 65 -6.896 -7.747 -14.344 522 H HIS 66 H HIS 66 -5.186 -9.508 -12.583 523 HA HIS 66 HA HIS 66 -4.276 -8.913 -15.170 524 HB2 HIS 66 2HB HIS 66 -1.834 -9.358 -14.859 525 HB3 HIS 66 3HB HIS 66 -2.373 -7.829 -14.185 526 HD1 HIS 66 HD1 HIS 66 -2.338 -7.598 -11.603 527 HD2 HIS 66 HD2 HIS 66 -0.787 -11.178 -13.020 528 HE1 HIS 66 HE1 HIS 66 -1.126 -8.619 -9.658 529 HE2 HIS 66 HE2 HIS 66 -0.008 -10.660 -10.609 530 H HIS 67 H HIS 67 -5.475 -10.725 -15.722 531 HA HIS 67 HA HIS 67 -5.051 -13.241 -14.386 532 HB2 HIS 67 2HB HIS 67 -6.581 -14.136 -16.226 533 HB3 HIS 67 3HB HIS 67 -7.259 -12.948 -15.125 534 HD1 HIS 67 HD1 HIS 67 -8.188 -10.840 -16.123 535 HD2 HIS 67 HD2 HIS 67 -6.048 -13.104 -18.880 536 HE1 HIS 67 HE1 HIS 67 -8.641 -9.788 -18.355 537 HE2 HIS 67 HE2 HIS 67 -7.279 -11.121 -19.998 538 H HIS 68 H HIS 68 -2.701 -13.111 -14.799 539 HA HIS 68 HA HIS 68 -2.048 -14.902 -17.018 540 HB2 HIS 68 2HB HIS 68 -0.532 -12.340 -16.423 541 HB3 HIS 68 3HB HIS 68 0.062 -13.620 -17.473 542 HD1 HIS 68 HD1 HIS 68 -1.497 -14.100 -19.635 543 HD2 HIS 68 HD2 HIS 68 -2.049 -10.468 -17.694 544 HE1 HIS 68 HE1 HIS 68 -2.722 -12.646 -21.269 545 HE2 HIS 68 HE2 HIS 68 -2.915 -10.413 -20.132 546 H HIS 69 H HIS 69 -1.235 -16.652 -16.038 547 HA HIS 69 HA HIS 69 -0.172 -16.558 -13.376 548 HB2 HIS 69 2HB HIS 69 -0.229 -18.842 -15.366 549 HB3 HIS 69 3HB HIS 69 0.164 -18.989 -13.657 550 HD1 HIS 69 HD1 HIS 69 -2.100 -20.653 -14.651 551 HD2 HIS 69 HD2 HIS 69 -2.653 -16.773 -13.274 552 HE1 HIS 69 HE1 HIS 69 -4.505 -20.524 -13.963 553 HE2 HIS 69 HE2 HIS 69 -4.855 -18.131 -13.298 554 H HIS 70 H HIS 70 1.928 -17.081 -12.683 555 HA HIS 70 HA HIS 70 4.054 -17.128 -14.710 556 HB2 HIS 70 2HB HIS 70 3.992 -15.320 -12.278 557 HB3 HIS 70 3HB HIS 70 5.419 -15.590 -13.273 558 HD1 HIS 70 HD1 HIS 70 5.285 -14.688 -15.761 559 HD2 HIS 70 HD2 HIS 70 2.223 -13.434 -13.249 560 HE1 HIS 70 HE1 HIS 70 4.217 -12.739 -16.925 561 HE2 HIS 70 HE2 HIS 70 2.478 -11.903 -15.315 562 H HIS 71 H HIS 71 5.943 -18.231 -14.106 563 HA HIS 71 HA HIS 71 6.035 -19.561 -11.506 564 HB2 HIS 71 2HB HIS 71 4.653 -21.050 -12.909 565 HB3 HIS 71 3HB HIS 71 5.939 -21.123 -14.108 566 HD1 HIS 71 HD1 HIS 71 5.193 -22.177 -10.554 567 HD2 HIS 71 HD2 HIS 71 7.849 -23.048 -13.626 568 HE1 HIS 71 HE1 HIS 71 6.473 -24.190 -9.784 569 HE2 HIS 71 HE2 HIS 71 7.931 -24.808 -11.736 Start of MODEL 12 1 H1 MET 1 1H MET 1 -31.456 -20.746 -12.284 2 H2 MET 1 2H MET 1 -30.496 -21.980 -12.926 3 H3 MET 1 3H MET 1 -31.292 -20.900 -13.958 4 HA MET 1 HA MET 1 -28.939 -20.395 -13.802 5 HB2 MET 1 2HB MET 1 -30.759 -18.339 -12.520 6 HB3 MET 1 3HB MET 1 -29.175 -17.994 -13.210 7 HG2 MET 1 2HG MET 1 -30.996 -17.380 -14.718 8 HG3 MET 1 3HG MET 1 -29.963 -18.633 -15.409 9 HE1 MET 1 3HE MET 1 -32.933 -17.864 -16.464 10 HE2 MET 1 1HE MET 1 -33.526 -19.485 -16.824 11 HE3 MET 1 2HE MET 1 -31.866 -19.044 -17.222 12 HA PRO 2 HA PRO 2 -27.536 -21.378 -9.502 13 HB2 PRO 2 2HB PRO 2 -24.936 -21.812 -10.372 14 HB3 PRO 2 3HB PRO 2 -26.171 -23.065 -10.226 15 HG2 PRO 2 2HG PRO 2 -25.287 -21.548 -12.654 16 HG3 PRO 2 3HG PRO 2 -25.688 -23.270 -12.490 17 HD2 PRO 2 2HD PRO 2 -27.424 -21.535 -13.581 18 HD3 PRO 2 3HD PRO 2 -27.983 -22.871 -12.551 19 H THR 3 H THR 3 -27.255 -19.579 -8.315 20 HA THR 3 HA THR 3 -25.617 -17.379 -9.428 21 HB THR 3 HB THR 3 -27.907 -17.194 -7.449 22 HG1 THR 3 HG1 THR 3 -28.629 -17.561 -9.578 23 HG21 THR 3 3HG2 THR 3 -27.671 -14.757 -7.722 24 HG22 THR 3 1HG2 THR 3 -26.247 -15.010 -8.731 25 HG23 THR 3 2HG2 THR 3 -26.214 -15.469 -7.028 26 H LYS 4 H LYS 4 -23.689 -17.176 -8.488 27 HA LYS 4 HA LYS 4 -23.258 -18.027 -5.727 28 HB2 LYS 4 2HB LYS 4 -21.303 -16.867 -7.726 29 HB3 LYS 4 3HB LYS 4 -20.888 -17.544 -6.161 30 HG2 LYS 4 2HG LYS 4 -21.741 -19.746 -6.959 31 HG3 LYS 4 3HG LYS 4 -21.975 -19.022 -8.554 32 HD2 LYS 4 2HD LYS 4 -19.553 -18.416 -8.565 33 HD3 LYS 4 3HD LYS 4 -19.364 -19.300 -7.050 34 HE2 LYS 4 2HE LYS 4 -18.670 -20.700 -8.890 35 HE3 LYS 4 3HE LYS 4 -20.156 -21.348 -8.193 36 HZ1 LYS 4 3HZ LYS 4 -19.964 -19.705 -10.658 37 HZ2 LYS 4 1HZ LYS 4 -21.399 -20.287 -9.981 38 HZ3 LYS 4 2HZ LYS 4 -20.254 -21.368 -10.592 39 HA PRO 5 HA PRO 5 -23.172 -13.776 -4.082 40 HB2 PRO 5 2HB PRO 5 -21.189 -14.876 -2.164 41 HB3 PRO 5 3HB PRO 5 -22.730 -14.072 -1.847 42 HG2 PRO 5 2HG PRO 5 -22.440 -16.707 -1.460 43 HG3 PRO 5 3HG PRO 5 -23.956 -16.029 -2.088 44 HD2 PRO 5 2HD PRO 5 -21.733 -17.399 -3.578 45 HD3 PRO 5 3HD PRO 5 -23.492 -17.578 -3.765 46 HA PRO 6 HA PRO 6 -19.507 -12.321 -6.110 47 HB2 PRO 6 2HB PRO 6 -19.195 -9.855 -5.031 48 HB3 PRO 6 3HB PRO 6 -20.529 -10.256 -6.118 49 HG2 PRO 6 2HG PRO 6 -20.514 -10.119 -3.121 50 HG3 PRO 6 3HG PRO 6 -21.707 -9.469 -4.261 51 HD2 PRO 6 2HD PRO 6 -22.076 -11.812 -2.942 52 HD3 PRO 6 3HD PRO 6 -22.720 -11.527 -4.573 53 H TYR 7 H TYR 7 -19.428 -13.103 -2.832 54 HA TYR 7 HA TYR 7 -17.842 -13.281 -1.214 55 HB2 TYR 7 2HB TYR 7 -16.217 -13.824 -3.701 56 HB3 TYR 7 3HB TYR 7 -15.523 -13.952 -2.090 57 HD1 TYR 7 HD1 TYR 7 -18.185 -15.320 -4.297 58 HD2 TYR 7 HD2 TYR 7 -15.868 -15.878 -0.768 59 HE1 TYR 7 HE1 TYR 7 -19.024 -17.624 -4.115 60 HE2 TYR 7 HE2 TYR 7 -16.704 -18.181 -0.579 61 HH TYR 7 HH TYR 7 -18.519 -19.550 -1.299 62 HA PRO 8 HA PRO 8 -16.769 -8.779 -1.323 63 HB2 PRO 8 2HB PRO 8 -16.709 -9.472 1.591 64 HB3 PRO 8 3HB PRO 8 -17.401 -8.058 0.782 65 HG2 PRO 8 2HG PRO 8 -18.992 -9.999 1.641 66 HG3 PRO 8 3HG PRO 8 -19.290 -9.232 0.065 67 HD2 PRO 8 2HD PRO 8 -18.068 -11.898 0.680 68 HD3 PRO 8 3HD PRO 8 -19.172 -11.440 -0.636 69 H ARG 9 H ARG 9 -14.720 -8.459 -1.949 70 HA ARG 9 HA ARG 9 -12.528 -10.001 -0.850 71 HB2 ARG 9 2HB ARG 9 -13.081 -8.813 -3.319 72 HB3 ARG 9 3HB ARG 9 -11.772 -7.841 -2.668 73 HG2 ARG 9 2HG ARG 9 -10.965 -9.661 -4.091 74 HG3 ARG 9 3HG ARG 9 -10.376 -9.809 -2.436 75 HD2 ARG 9 2HD ARG 9 -11.152 -11.961 -3.504 76 HD3 ARG 9 3HD ARG 9 -11.905 -11.577 -1.958 77 HE ARG 9 HE ARG 9 -13.921 -11.113 -3.081 78 HH11 ARG 9 1HH1 ARG 9 -11.465 -12.178 -5.264 79 HH12 ARG 9 2HH1 ARG 9 -12.603 -12.579 -6.500 80 HH21 ARG 9 1HH2 ARG 9 -15.356 -11.646 -4.687 81 HH22 ARG 9 2HH2 ARG 9 -14.753 -12.278 -6.186 82 H GLU 10 H GLU 10 -10.752 -9.194 0.304 83 HA GLU 10 HA GLU 10 -11.030 -6.451 1.361 84 HB2 GLU 10 2HB GLU 10 -9.777 -7.718 3.428 85 HB3 GLU 10 3HB GLU 10 -11.504 -7.426 3.340 86 HG2 GLU 10 2HG GLU 10 -11.047 -9.697 4.035 87 HG3 GLU 10 3HG GLU 10 -11.855 -9.682 2.473 88 H ALA 11 H ALA 11 -9.057 -5.443 2.124 89 HA ALA 11 HA ALA 11 -6.554 -6.557 1.046 90 HB1 ALA 11 3HB ALA 11 -7.497 -5.069 -0.672 91 HB2 ALA 11 1HB ALA 11 -5.975 -4.451 -0.024 92 HB3 ALA 11 2HB ALA 11 -7.508 -3.745 0.493 93 H TYR 12 H TYR 12 -4.762 -4.676 1.588 94 HA TYR 12 HA TYR 12 -5.125 -3.420 4.153 95 HB2 TYR 12 2HB TYR 12 -3.313 -4.675 5.302 96 HB3 TYR 12 3HB TYR 12 -4.709 -5.680 4.939 97 HD1 TYR 12 HD1 TYR 12 -4.564 -7.465 3.268 98 HD2 TYR 12 HD2 TYR 12 -1.177 -5.049 4.182 99 HE1 TYR 12 HE1 TYR 12 -3.108 -9.089 2.142 100 HE2 TYR 12 HE2 TYR 12 0.288 -6.674 3.058 101 HH TYR 12 HH TYR 12 -0.881 -9.100 1.031 102 H ILE 13 H ILE 13 -2.982 -2.420 4.918 103 HA ILE 13 HA ILE 13 -1.455 -1.497 2.557 104 HB ILE 13 HB ILE 13 -1.939 -0.050 5.175 105 HG12 ILE 13 2HG1 ILE 13 -3.041 0.520 2.403 106 HG13 ILE 13 3HG1 ILE 13 -3.952 -0.194 3.728 107 HG21 ILE 13 1HG2 ILE 13 -0.505 0.867 2.679 108 HG22 ILE 13 2HG2 ILE 13 0.231 0.522 4.245 109 HG23 ILE 13 3HG2 ILE 13 -0.879 1.880 4.074 110 HD11 ILE 13 3HD1 ILE 13 -2.769 2.576 3.688 111 HD12 ILE 13 1HD1 ILE 13 -3.673 1.863 5.022 112 HD13 ILE 13 2HD1 ILE 13 -4.470 2.161 3.476 113 H VAL 14 H VAL 14 0.743 -1.608 2.547 114 HA VAL 14 HA VAL 14 2.113 -2.614 4.972 115 HB VAL 14 HB VAL 14 2.921 -2.977 2.070 116 HG11 VAL 14 1HG1 VAL 14 4.216 -4.016 4.598 117 HG12 VAL 14 2HG1 VAL 14 4.878 -2.799 3.506 118 HG13 VAL 14 3HG1 VAL 14 4.678 -4.462 2.955 119 HG21 VAL 14 3HG2 VAL 14 1.839 -4.969 4.077 120 HG22 VAL 14 1HG2 VAL 14 2.446 -5.366 2.464 121 HG23 VAL 14 2HG2 VAL 14 1.005 -4.363 2.642 122 H THR 15 H THR 15 3.874 -1.475 5.748 123 HA THR 15 HA THR 15 4.455 1.083 4.390 124 HB THR 15 HB THR 15 5.391 1.825 6.582 125 HG1 THR 15 HG1 THR 15 5.475 -0.647 7.219 126 HG21 THR 15 3HG2 THR 15 3.224 2.090 7.705 127 HG22 THR 15 1HG2 THR 15 2.529 0.846 6.664 128 HG23 THR 15 2HG2 THR 15 3.086 2.370 5.969 129 H ILE 16 H ILE 16 6.229 1.058 3.168 130 HA ILE 16 HA ILE 16 8.635 -0.351 4.161 131 HB ILE 16 HB ILE 16 9.440 -0.488 1.864 132 HG12 ILE 16 2HG1 ILE 16 6.802 0.775 1.048 133 HG13 ILE 16 3HG1 ILE 16 8.358 1.594 1.018 134 HG21 ILE 16 1HG2 ILE 16 7.804 -2.091 0.971 135 HG22 ILE 16 2HG2 ILE 16 6.611 -1.514 2.133 136 HG23 ILE 16 3HG2 ILE 16 8.072 -2.323 2.700 137 HD11 ILE 16 3HD1 ILE 16 7.727 0.858 -1.196 138 HD12 ILE 16 1HD1 ILE 16 7.587 -0.806 -0.628 139 HD13 ILE 16 2HD1 ILE 16 9.162 -0.012 -0.647 140 H GLU 17 H GLU 17 10.731 0.701 3.353 141 HA GLU 17 HA GLU 17 10.505 3.645 3.498 142 HB2 GLU 17 2HB GLU 17 12.575 3.631 4.883 143 HB3 GLU 17 3HB GLU 17 11.200 2.865 5.666 144 HG2 GLU 17 2HG GLU 17 12.105 0.655 4.976 145 HG3 GLU 17 3HG GLU 17 13.533 1.477 4.352 146 H LYS 18 H LYS 18 11.688 4.794 2.082 147 HA LYS 18 HA LYS 18 13.798 3.413 0.541 148 HB2 LYS 18 2HB LYS 18 11.695 5.306 -0.546 149 HB3 LYS 18 3HB LYS 18 13.077 4.718 -1.460 150 HG2 LYS 18 2HG LYS 18 12.246 2.429 -1.276 151 HG3 LYS 18 3HG LYS 18 10.872 2.997 -0.322 152 HD2 LYS 18 2HD LYS 18 10.136 4.372 -2.229 153 HD3 LYS 18 3HD LYS 18 11.494 3.772 -3.181 154 HE2 LYS 18 2HE LYS 18 9.300 2.055 -2.018 155 HE3 LYS 18 3HE LYS 18 9.363 2.621 -3.686 156 HZ1 LYS 18 3HZ LYS 18 11.349 0.849 -2.374 157 HZ2 LYS 18 1HZ LYS 18 11.441 1.415 -3.964 158 HZ3 LYS 18 2HZ LYS 18 10.188 0.379 -3.510 159 H GLY 19 H GLY 19 15.401 4.866 -0.439 160 HA2 GLY 19 2HA GLY 19 16.401 7.021 -0.699 161 HA3 GLY 19 3HA GLY 19 15.498 7.585 0.693 162 H LYS 20 H LYS 20 17.030 8.267 2.082 163 HA LYS 20 HA LYS 20 19.562 6.852 2.320 164 HB2 LYS 20 2HB LYS 20 18.597 9.386 3.677 165 HB3 LYS 20 3HB LYS 20 20.243 8.760 3.719 166 HG2 LYS 20 2HG LYS 20 20.404 9.038 1.287 167 HG3 LYS 20 3HG LYS 20 18.765 9.690 1.261 168 HD2 LYS 20 2HD LYS 20 19.483 11.546 2.696 169 HD3 LYS 20 3HD LYS 20 21.124 10.895 2.722 170 HE2 LYS 20 2HE LYS 20 19.633 11.830 0.265 171 HE3 LYS 20 3HE LYS 20 20.883 12.737 1.113 172 HZ1 LYS 20 3HZ LYS 20 21.751 11.609 -0.840 173 HZ2 LYS 20 1HZ LYS 20 21.272 10.111 -0.218 174 HZ3 LYS 20 2HZ LYS 20 22.469 11.009 0.568 175 HA PRO 21 HA PRO 21 18.661 4.305 5.818 176 HB2 PRO 21 2HB PRO 21 21.232 5.350 6.936 177 HB3 PRO 21 3HB PRO 21 20.683 3.681 6.746 178 HG2 PRO 21 2HG PRO 21 22.470 4.689 5.062 179 HG3 PRO 21 3HG PRO 21 21.166 3.643 4.463 180 HD2 PRO 21 2HD PRO 21 21.447 6.615 4.281 181 HD3 PRO 21 3HD PRO 21 20.781 5.469 3.100 182 H GLY 22 H GLY 22 20.021 7.495 6.711 183 HA2 GLY 22 2HA GLY 22 18.821 7.517 9.319 184 HA3 GLY 22 3HA GLY 22 19.601 8.872 8.523 185 H GLN 23 H GLN 23 18.213 9.619 6.498 186 HA GLN 23 HA GLN 23 15.508 10.122 7.523 187 HB2 GLN 23 2HB GLN 23 17.188 11.589 5.484 188 HB3 GLN 23 3HB GLN 23 15.504 11.978 5.809 189 HG2 GLN 23 2HG GLN 23 17.679 12.025 7.895 190 HG3 GLN 23 3HG GLN 23 17.156 13.434 6.975 191 HE21 GLN 23 1HE2 GLN 23 16.265 11.140 9.442 192 HE22 GLN 23 2HE2 GLN 23 14.908 12.024 10.042 193 H THR 24 H THR 24 14.672 8.081 6.859 194 HA THR 24 HA THR 24 14.552 7.443 4.028 195 HB THR 24 HB THR 24 13.270 5.478 4.668 196 HG1 THR 24 HG1 THR 24 13.230 5.473 7.278 197 HG21 THR 24 3HG2 THR 24 15.694 5.322 4.952 198 HG22 THR 24 1HG2 THR 24 14.860 4.376 6.186 199 HG23 THR 24 2HG2 THR 24 15.553 5.944 6.596 200 H VAL 25 H VAL 25 12.565 7.148 2.868 201 HA VAL 25 HA VAL 25 10.327 8.850 3.768 202 HB VAL 25 HB VAL 25 10.970 7.895 0.959 203 HG11 VAL 25 1HG1 VAL 25 9.231 9.504 0.259 204 HG12 VAL 25 2HG1 VAL 25 8.844 9.800 1.953 205 HG13 VAL 25 3HG1 VAL 25 8.586 8.202 1.254 206 HG21 VAL 25 3HG2 VAL 25 12.614 9.525 1.703 207 HG22 VAL 25 1HG2 VAL 25 11.331 10.624 2.209 208 HG23 VAL 25 2HG2 VAL 25 11.548 10.248 0.500 209 H THR 26 H THR 26 8.499 7.839 4.371 210 HA THR 26 HA THR 26 8.316 4.963 4.172 211 HB THR 26 HB THR 26 6.356 6.945 5.368 212 HG1 THR 26 HG1 THR 26 7.278 6.118 7.361 213 HG21 THR 26 3HG2 THR 26 5.257 4.834 4.770 214 HG22 THR 26 1HG2 THR 26 5.399 4.997 6.522 215 HG23 THR 26 2HG2 THR 26 6.498 3.931 5.643 216 H TRP 27 H TRP 27 7.559 3.999 2.418 217 HA TRP 27 HA TRP 27 5.414 5.272 0.851 218 HB2 TRP 27 2HB TRP 27 7.516 3.227 0.139 219 HB3 TRP 27 3HB TRP 27 6.088 3.459 -0.863 220 HD1 TRP 27 HD1 TRP 27 9.214 5.381 0.342 221 HE1 TRP 27 HE1 TRP 27 9.664 7.288 -1.327 222 HE3 TRP 27 HE3 TRP 27 5.067 4.874 -2.606 223 HZ2 TRP 27 HZ2 TRP 27 8.422 8.430 -3.594 224 HZ3 TRP 27 HZ3 TRP 27 4.772 6.414 -4.505 225 HH2 TRP 27 HH2 TRP 27 6.416 8.153 -4.985 226 H TYR 28 H TYR 28 3.446 4.389 0.743 227 HA TYR 28 HA TYR 28 2.931 1.981 2.332 228 HB2 TYR 28 2HB TYR 28 0.994 4.029 1.209 229 HB3 TYR 28 3HB TYR 28 0.587 2.720 2.313 230 HD1 TYR 28 HD2 TYR 28 2.534 5.874 2.021 231 HD2 TYR 28 HD1 TYR 28 0.830 2.996 4.659 232 HE1 TYR 28 HE2 TYR 28 2.998 7.352 3.927 233 HE2 TYR 28 HE1 TYR 28 1.290 4.470 6.571 234 HH TYR 28 HH TYR 28 2.770 6.302 7.169 235 H GLN 29 H GLN 29 2.907 0.125 1.237 236 HA GLN 29 HA GLN 29 2.052 -0.004 -1.551 237 HB2 GLN 29 2HB GLN 29 3.086 -2.182 0.286 238 HB3 GLN 29 3HB GLN 29 2.744 -2.375 -1.427 239 HG2 GLN 29 2HG GLN 29 4.492 -0.665 -1.902 240 HG3 GLN 29 3HG GLN 29 4.885 -0.662 -0.183 241 HE21 GLN 29 1HE2 GLN 29 6.534 -1.416 -2.475 242 HE22 GLN 29 2HE2 GLN 29 7.033 -3.045 -2.185 243 H LEU 30 H LEU 30 -0.118 -0.004 -1.793 244 HA LEU 30 HA LEU 30 -1.938 -1.332 -0.044 245 HB2 LEU 30 2HB LEU 30 -2.649 0.534 -1.464 246 HB3 LEU 30 3HB LEU 30 -2.296 -0.405 -2.902 247 HG LEU 30 HG LEU 30 -4.079 -2.002 -2.294 248 HD11 LEU 30 1HD1 LEU 30 -4.621 -0.105 -0.008 249 HD12 LEU 30 2HD1 LEU 30 -4.054 -1.771 0.120 250 HD13 LEU 30 3HD1 LEU 30 -5.667 -1.434 -0.506 251 HD21 LEU 30 3HD2 LEU 30 -4.989 0.873 -2.405 252 HD22 LEU 30 1HD2 LEU 30 -5.981 -0.539 -2.771 253 HD23 LEU 30 2HD2 LEU 30 -4.592 -0.149 -3.786 254 H ARG 31 H ARG 31 -1.916 -3.472 0.216 255 HA ARG 31 HA ARG 31 -1.658 -5.202 -2.167 256 HB2 ARG 31 2HB ARG 31 -0.553 -5.692 0.608 257 HB3 ARG 31 3HB ARG 31 -0.563 -6.883 -0.684 258 HG2 ARG 31 2HG ARG 31 0.904 -5.431 -2.021 259 HG3 ARG 31 3HG ARG 31 0.932 -4.259 -0.700 260 HD2 ARG 31 2HD ARG 31 1.963 -5.892 0.772 261 HD3 ARG 31 3HD ARG 31 1.842 -7.132 -0.475 262 HE ARG 31 HE ARG 31 3.473 -4.728 -0.942 263 HH11 ARG 31 1HH1 ARG 31 3.234 -8.131 -0.508 264 HH12 ARG 31 2HH1 ARG 31 4.828 -8.445 -1.092 265 HH21 ARG 31 1HH2 ARG 31 5.550 -5.119 -1.652 266 HH22 ARG 31 2HH2 ARG 31 6.131 -6.747 -1.732 267 H ALA 32 H ALA 32 -2.773 -7.229 -2.065 268 HA ALA 32 HA ALA 32 -4.845 -7.408 0.041 269 HB1 ALA 32 3HB ALA 32 -5.841 -7.021 -2.150 270 HB2 ALA 32 1HB ALA 32 -6.223 -8.643 -1.575 271 HB3 ALA 32 2HB ALA 32 -4.980 -8.413 -2.807 272 H ASP 33 H ASP 33 -5.361 -9.565 0.786 273 HA ASP 33 HA ASP 33 -3.110 -11.402 0.738 274 HB2 ASP 33 2HB ASP 33 -4.320 -10.926 2.844 275 HB3 ASP 33 3HB ASP 33 -5.788 -11.606 2.150 276 H HIS 34 H HIS 34 -6.074 -10.964 -0.900 277 HA HIS 34 HA HIS 34 -5.873 -13.637 -2.140 278 HB2 HIS 34 2HB HIS 34 -8.433 -12.128 -1.540 279 HB3 HIS 34 3HB HIS 34 -8.317 -13.711 -2.303 280 HD1 HIS 34 HD1 HIS 34 -8.624 -12.100 0.949 281 HD2 HIS 34 HD2 HIS 34 -7.276 -15.762 -0.480 282 HE1 HIS 34 HE1 HIS 34 -8.557 -13.617 2.943 283 HE2 HIS 34 HE2 HIS 34 -7.865 -15.852 2.030 284 HA PRO 35 HA PRO 35 -6.528 -14.705 -3.848 285 HB2 PRO 35 2HB PRO 35 -5.693 -15.420 -6.279 286 HB3 PRO 35 3HB PRO 35 -7.320 -14.763 -6.046 287 HG2 PRO 35 2HG PRO 35 -4.840 -13.360 -7.006 288 HG3 PRO 35 3HG PRO 35 -6.480 -13.313 -7.685 289 HD2 PRO 35 2HD PRO 35 -5.477 -11.385 -6.008 290 HD3 PRO 35 3HD PRO 35 -7.207 -11.763 -6.142 291 H LYS 36 H LYS 36 -4.000 -12.528 -4.127 292 HA LYS 36 HA LYS 36 -2.042 -14.574 -3.342 293 HB2 LYS 36 2HB LYS 36 -1.577 -12.364 -5.361 294 HB3 LYS 36 3HB LYS 36 -0.279 -13.279 -4.604 295 HG2 LYS 36 2HG LYS 36 -1.279 -15.354 -5.579 296 HG3 LYS 36 3HG LYS 36 -2.409 -14.321 -6.464 297 HD2 LYS 36 2HD LYS 36 -0.520 -13.183 -7.543 298 HD3 LYS 36 3HD LYS 36 0.606 -14.214 -6.652 299 HE2 LYS 36 2HE LYS 36 -1.449 -15.161 -8.656 300 HE3 LYS 36 3HE LYS 36 0.281 -14.996 -8.956 301 HZ1 LYS 36 3HZ LYS 36 -0.283 -17.278 -8.463 302 HZ2 LYS 36 1HZ LYS 36 -0.986 -16.827 -6.993 303 HZ3 LYS 36 2HZ LYS 36 0.676 -16.654 -7.217 304 HA PRO 37 HA PRO 37 -1.419 -11.712 -0.023 305 HB2 PRO 37 2HB PRO 37 1.006 -12.535 0.902 306 HB3 PRO 37 3HB PRO 37 -0.486 -13.451 1.148 307 HG2 PRO 37 2HG PRO 37 1.694 -13.877 -0.851 308 HG3 PRO 37 3HG PRO 37 0.773 -15.074 0.077 309 HD2 PRO 37 2HD PRO 37 0.269 -14.459 -2.544 310 HD3 PRO 37 3HD PRO 37 -0.964 -15.076 -1.431 311 H ASP 38 H ASP 38 1.328 -12.088 -2.279 312 HA ASP 38 HA ASP 38 2.267 -9.390 -1.692 313 HB2 ASP 38 2HB ASP 38 3.282 -11.547 -3.549 314 HB3 ASP 38 3HB ASP 38 4.010 -9.946 -3.442 315 H SER 39 H SER 39 -0.387 -9.919 -3.022 316 HA SER 39 HA SER 39 -0.250 -9.090 -5.729 317 HB2 SER 39 2HB SER 39 -2.673 -8.580 -5.484 318 HB3 SER 39 3HB SER 39 -2.257 -10.175 -4.862 319 HG SER 39 HG SER 39 -2.717 -9.550 -2.884 320 H LEU 40 H LEU 40 0.948 -7.277 -6.098 321 HA LEU 40 HA LEU 40 0.717 -4.933 -4.440 322 HB2 LEU 40 2HB LEU 40 2.839 -5.637 -5.537 323 HB3 LEU 40 3HB LEU 40 2.128 -5.262 -7.096 324 HG LEU 40 HG LEU 40 1.911 -2.890 -6.407 325 HD11 LEU 40 1HD1 LEU 40 1.748 -3.159 -4.007 326 HD12 LEU 40 2HD1 LEU 40 3.117 -2.121 -4.398 327 HD13 LEU 40 3HD1 LEU 40 3.389 -3.800 -3.936 328 HD21 LEU 40 3HD2 LEU 40 4.283 -2.339 -6.561 329 HD22 LEU 40 1HD2 LEU 40 3.860 -3.637 -7.677 330 HD23 LEU 40 2HD2 LEU 40 4.705 -4.007 -6.173 331 H ILE 41 H ILE 41 -1.197 -3.896 -4.554 332 HA ILE 41 HA ILE 41 -2.585 -3.538 -7.077 333 HB ILE 41 HB ILE 41 -3.281 -2.372 -4.369 334 HG12 ILE 41 2HG1 ILE 41 -3.178 -4.810 -4.214 335 HG13 ILE 41 3HG1 ILE 41 -4.855 -4.273 -4.152 336 HG21 ILE 41 1HG2 ILE 41 -5.556 -2.193 -5.303 337 HG22 ILE 41 2HG2 ILE 41 -4.957 -2.777 -6.856 338 HG23 ILE 41 3HG2 ILE 41 -4.390 -1.233 -6.216 339 HD11 ILE 41 3HD1 ILE 41 -3.462 -5.424 -6.564 340 HD12 ILE 41 1HD1 ILE 41 -5.148 -4.911 -6.485 341 HD13 ILE 41 2HD1 ILE 41 -4.595 -6.271 -5.509 342 H SER 42 H SER 42 -1.012 -1.423 -4.669 343 HA SER 42 HA SER 42 -0.192 0.458 -6.677 344 HB2 SER 42 2HB SER 42 -2.516 1.183 -6.487 345 HB3 SER 42 3HB SER 42 -2.364 1.302 -4.736 346 HG SER 42 HG SER 42 -1.754 3.116 -6.612 347 H GLU 43 H GLU 43 1.161 2.164 -5.846 348 HA GLU 43 HA GLU 43 1.941 1.913 -3.006 349 HB2 GLU 43 2HB GLU 43 3.814 2.232 -5.367 350 HB3 GLU 43 3HB GLU 43 4.303 2.333 -3.681 351 HG2 GLU 43 2HG GLU 43 3.658 0.017 -3.331 352 HG3 GLU 43 3HG GLU 43 3.104 -0.098 -5.001 353 H HIS 44 H HIS 44 1.845 3.822 -1.942 354 HA HIS 44 HA HIS 44 2.307 6.317 -3.424 355 HB2 HIS 44 2HB HIS 44 -0.169 5.712 -1.793 356 HB3 HIS 44 3HB HIS 44 0.317 7.349 -2.223 357 HD1 HIS 44 HD1 HIS 44 -2.000 4.992 -3.286 358 HD2 HIS 44 HD2 HIS 44 0.814 7.272 -5.314 359 HE1 HIS 44 HE1 HIS 44 -2.819 5.115 -5.650 360 HE2 HIS 44 HE2 HIS 44 -1.196 6.651 -6.810 361 HA PRO 45 HA PRO 45 4.679 7.305 0.147 362 HB2 PRO 45 2HB PRO 45 4.973 9.968 -0.118 363 HB3 PRO 45 3HB PRO 45 5.704 8.831 -1.257 364 HG2 PRO 45 2HG PRO 45 3.175 10.424 -1.532 365 HG3 PRO 45 3HG PRO 45 4.464 10.156 -2.722 366 HD2 PRO 45 2HD PRO 45 2.117 8.753 -2.712 367 HD3 PRO 45 3HD PRO 45 3.644 8.091 -3.331 368 H THR 46 H THR 46 1.479 8.530 -0.150 369 HA THR 46 HA THR 46 1.474 9.360 2.695 370 HB THR 46 HB THR 46 -0.369 10.854 2.264 371 HG1 THR 46 HG1 THR 46 -0.301 10.408 -0.517 372 HG21 THR 46 3HG2 THR 46 1.759 11.224 0.140 373 HG22 THR 46 1HG2 THR 46 1.846 11.786 1.809 374 HG23 THR 46 2HG2 THR 46 0.653 12.471 0.709 375 H ALA 47 H ALA 47 -0.127 8.548 4.040 376 HA ALA 47 HA ALA 47 -1.279 6.051 3.371 377 HB1 ALA 47 3HB ALA 47 -2.347 6.152 5.557 378 HB2 ALA 47 1HB ALA 47 -1.956 7.867 5.690 379 HB3 ALA 47 2HB ALA 47 -0.664 6.666 5.666 380 H GLN 48 H GLN 48 -2.538 9.333 3.349 381 HA GLN 48 HA GLN 48 -5.268 8.900 3.106 382 HB2 GLN 48 2HB GLN 48 -4.270 11.130 3.328 383 HB3 GLN 48 3HB GLN 48 -3.573 11.000 1.719 384 HG2 GLN 48 2HG GLN 48 -5.519 12.409 1.639 385 HG3 GLN 48 3HG GLN 48 -5.847 10.914 0.764 386 HE21 GLN 48 1HE2 GLN 48 -7.338 9.454 1.607 387 HE22 GLN 48 2HE2 GLN 48 -8.447 9.897 2.855 388 H GLU 49 H GLU 49 -2.855 9.009 0.458 389 HA GLU 49 HA GLU 49 -4.648 8.435 -1.642 390 HB2 GLU 49 2HB GLU 49 -1.683 7.885 -1.384 391 HB3 GLU 49 3HB GLU 49 -2.590 7.666 -2.874 392 HG2 GLU 49 2HG GLU 49 -3.123 10.051 -2.912 393 HG3 GLU 49 3HG GLU 49 -2.248 10.277 -1.397 394 H ALA 50 H ALA 50 -2.706 6.283 0.414 395 HA ALA 50 HA ALA 50 -3.318 3.866 -0.927 396 HB1 ALA 50 3HB ALA 50 -2.583 4.235 1.977 397 HB2 ALA 50 1HB ALA 50 -1.434 4.138 0.643 398 HB3 ALA 50 2HB ALA 50 -2.446 2.747 1.038 399 H MET 51 H MET 51 -4.837 5.458 1.863 400 HA MET 51 HA MET 51 -6.775 3.456 2.380 401 HB2 MET 51 2HB MET 51 -6.705 6.404 3.065 402 HB3 MET 51 3HB MET 51 -7.913 5.288 3.684 403 HG2 MET 51 2HG MET 51 -6.192 4.005 4.817 404 HG3 MET 51 3HG MET 51 -4.942 5.037 4.126 405 HE1 MET 51 3HE MET 51 -8.046 6.482 7.224 406 HE2 MET 51 1HE MET 51 -7.957 4.825 6.633 407 HE3 MET 51 2HE MET 51 -8.463 6.121 5.547 408 H ASP 52 H ASP 52 -6.836 6.399 0.394 409 HA ASP 52 HA ASP 52 -9.563 6.304 -0.332 410 HB2 ASP 52 2HB ASP 52 -8.142 8.290 -0.683 411 HB3 ASP 52 3HB ASP 52 -7.218 7.418 -1.905 412 H ALA 53 H ALA 53 -6.685 4.851 -1.807 413 HA ALA 53 HA ALA 53 -8.099 3.651 -3.997 414 HB1 ALA 53 3HB ALA 53 -5.363 2.989 -2.899 415 HB2 ALA 53 1HB ALA 53 -5.704 4.215 -4.122 416 HB3 ALA 53 2HB ALA 53 -6.003 2.510 -4.472 417 H LYS 54 H LYS 54 -7.185 2.628 -0.758 418 HA LYS 54 HA LYS 54 -7.596 -0.130 -0.978 419 HB2 LYS 54 2HB LYS 54 -6.513 0.982 0.946 420 HB3 LYS 54 3HB LYS 54 -8.064 1.651 1.427 421 HG2 LYS 54 2HG LYS 54 -8.924 -0.558 1.897 422 HG3 LYS 54 3HG LYS 54 -7.445 -1.298 1.279 423 HD2 LYS 54 2HD LYS 54 -6.154 -0.223 3.066 424 HD3 LYS 54 3HD LYS 54 -7.623 0.543 3.674 425 HE2 LYS 54 2HE LYS 54 -7.150 -2.438 3.516 426 HE3 LYS 54 3HE LYS 54 -6.984 -1.457 4.969 427 HZ1 LYS 54 3HZ LYS 54 -9.487 -1.903 3.427 428 HZ2 LYS 54 1HZ LYS 54 -9.347 -0.872 4.760 429 HZ3 LYS 54 2HZ LYS 54 -9.118 -2.534 4.947 430 H LYS 55 H LYS 55 -9.893 2.387 0.130 431 HA LYS 55 HA LYS 55 -12.145 0.743 0.433 432 HB2 LYS 55 2HB LYS 55 -13.399 2.709 0.613 433 HB3 LYS 55 3HB LYS 55 -11.787 3.242 1.070 434 HG2 LYS 55 2HG LYS 55 -11.459 4.057 -1.260 435 HG3 LYS 55 3HG LYS 55 -13.138 3.636 -1.598 436 HD2 LYS 55 2HD LYS 55 -13.742 5.158 0.366 437 HD3 LYS 55 3HD LYS 55 -12.076 5.742 0.278 438 HE2 LYS 55 2HE LYS 55 -14.176 5.878 -1.891 439 HE3 LYS 55 3HE LYS 55 -13.498 7.227 -0.982 440 HZ1 LYS 55 3HZ LYS 55 -12.517 7.068 -3.170 441 HZ2 LYS 55 1HZ LYS 55 -12.008 5.484 -2.870 442 HZ3 LYS 55 2HZ LYS 55 -11.346 6.772 -1.993 443 H ARG 56 H ARG 56 -10.633 1.986 -2.415 444 HA ARG 56 HA ARG 56 -12.871 1.650 -4.191 445 HB2 ARG 56 2HB ARG 56 -11.093 3.329 -4.553 446 HB3 ARG 56 3HB ARG 56 -9.929 2.035 -4.786 447 HG2 ARG 56 2HG ARG 56 -11.151 1.297 -6.781 448 HG3 ARG 56 3HG ARG 56 -12.315 2.607 -6.545 449 HD2 ARG 56 2HD ARG 56 -10.503 4.250 -6.782 450 HD3 ARG 56 3HD ARG 56 -9.348 2.941 -7.023 451 HE ARG 56 HE ARG 56 -11.559 3.016 -8.893 452 HH11 ARG 56 1HH1 ARG 56 -8.311 3.948 -8.236 453 HH12 ARG 56 2HH1 ARG 56 -7.933 4.204 -9.900 454 HH21 ARG 56 1HH2 ARG 56 -11.066 3.377 -11.032 455 HH22 ARG 56 2HH2 ARG 56 -9.473 3.894 -11.461 456 H TYR 57 H TYR 57 -9.852 -0.157 -3.557 457 HA TYR 57 HA TYR 57 -10.370 -2.222 -5.449 458 HB2 TYR 57 2HB TYR 57 -8.104 -1.861 -4.676 459 HB3 TYR 57 3HB TYR 57 -8.572 -2.174 -3.007 460 HD1 TYR 57 HD1 TYR 57 -8.100 -3.748 -6.333 461 HD2 TYR 57 HD2 TYR 57 -8.697 -4.410 -2.165 462 HE1 TYR 57 HE1 TYR 57 -7.596 -6.132 -6.642 463 HE2 TYR 57 HE2 TYR 57 -8.188 -6.795 -2.468 464 HH TYR 57 HH TYR 57 -6.753 -8.042 -5.213 465 H GLU 58 H GLU 58 -11.152 -1.831 -2.031 466 HA GLU 58 HA GLU 58 -12.128 -4.525 -1.723 467 HB2 GLU 58 2HB GLU 58 -12.453 -2.113 0.076 468 HB3 GLU 58 3HB GLU 58 -12.822 -3.777 0.519 469 HG2 GLU 58 2HG GLU 58 -10.467 -4.379 0.242 470 HG3 GLU 58 3HG GLU 58 -10.096 -2.722 -0.228 471 H ASP 59 H ASP 59 -13.378 -2.347 -3.626 472 HA ASP 59 HA ASP 59 -16.184 -2.831 -2.867 473 HB2 ASP 59 2HB ASP 59 -15.365 -0.448 -3.260 474 HB3 ASP 59 3HB ASP 59 -15.176 -0.883 -4.954 475 HA PRO 60 HA PRO 60 -15.627 -5.645 -6.458 476 HB2 PRO 60 2HB PRO 60 -16.903 -7.773 -5.481 477 HB3 PRO 60 3HB PRO 60 -15.307 -7.323 -4.867 478 HG2 PRO 60 2HG PRO 60 -18.007 -6.856 -3.647 479 HG3 PRO 60 3HG PRO 60 -16.492 -7.347 -2.863 480 HD2 PRO 60 2HD PRO 60 -17.490 -4.740 -2.956 481 HD3 PRO 60 3HD PRO 60 -15.806 -5.183 -2.611 482 H ASP 61 H ASP 61 -18.022 -3.697 -5.621 483 HA ASP 61 HA ASP 61 -20.184 -5.124 -7.044 484 HB2 ASP 61 2HB ASP 61 -20.635 -4.539 -4.683 485 HB3 ASP 61 3HB ASP 61 -20.375 -2.840 -5.065 486 H LYS 62 H LYS 62 -18.594 -1.944 -6.762 487 HA LYS 62 HA LYS 62 -20.230 -0.900 -8.948 488 HB2 LYS 62 2HB LYS 62 -20.003 0.500 -6.978 489 HB3 LYS 62 3HB LYS 62 -18.254 0.456 -7.108 490 HG2 LYS 62 2HG LYS 62 -18.824 2.554 -7.930 491 HG3 LYS 62 3HG LYS 62 -18.569 1.600 -9.385 492 HD2 LYS 62 2HD LYS 62 -21.307 2.027 -8.185 493 HD3 LYS 62 3HD LYS 62 -20.600 3.152 -9.341 494 HE2 LYS 62 2HE LYS 62 -20.380 1.270 -10.957 495 HE3 LYS 62 3HE LYS 62 -21.222 0.234 -9.808 496 HZ1 LYS 62 3HZ LYS 62 -22.753 1.058 -11.443 497 HZ2 LYS 62 1HZ LYS 62 -22.321 2.661 -11.112 498 HZ3 LYS 62 2HZ LYS 62 -23.131 1.744 -9.944 499 H GLU 63 H GLU 63 -19.554 -1.159 -10.968 500 HA GLU 63 HA GLU 63 -16.728 -0.553 -11.588 501 HB2 GLU 63 2HB GLU 63 -16.810 -2.100 -13.460 502 HB3 GLU 63 3HB GLU 63 -17.239 -2.947 -11.980 503 HG2 GLU 63 2HG GLU 63 -19.615 -2.768 -12.582 504 HG3 GLU 63 3HG GLU 63 -19.160 -1.961 -14.082 505 H LEU 64 H LEU 64 -16.414 0.465 -13.748 506 HA LEU 64 HA LEU 64 -18.763 1.790 -14.851 507 HB2 LEU 64 2HB LEU 64 -17.935 4.035 -14.567 508 HB3 LEU 64 3HB LEU 64 -18.098 3.257 -13.009 509 HG LEU 64 HG LEU 64 -15.474 3.663 -14.468 510 HD11 LEU 64 1HD1 LEU 64 -16.410 5.790 -13.766 511 HD12 LEU 64 2HD1 LEU 64 -15.035 5.368 -12.747 512 HD13 LEU 64 3HD1 LEU 64 -16.680 5.162 -12.140 513 HD21 LEU 64 3HD2 LEU 64 -16.057 2.685 -11.666 514 HD22 LEU 64 1HD2 LEU 64 -14.453 3.044 -12.312 515 HD23 LEU 64 2HD2 LEU 64 -15.402 1.725 -12.993 516 H GLU 65 H GLU 65 -18.491 2.679 -16.911 517 HA GLU 65 HA GLU 65 -16.482 1.265 -18.433 518 HB2 GLU 65 2HB GLU 65 -18.795 3.014 -19.299 519 HB3 GLU 65 3HB GLU 65 -17.751 2.130 -20.408 520 HG2 GLU 65 2HG GLU 65 -18.465 0.017 -19.423 521 HG3 GLU 65 3HG GLU 65 -19.474 0.884 -18.267 522 H HIS 66 H HIS 66 -14.633 2.489 -17.630 523 HA HIS 66 HA HIS 66 -14.105 4.761 -19.440 524 HB2 HIS 66 2HB HIS 66 -13.338 4.566 -16.520 525 HB3 HIS 66 3HB HIS 66 -12.553 5.678 -17.634 526 HD1 HIS 66 HD1 HIS 66 -14.591 6.161 -15.063 527 HD2 HIS 66 HD2 HIS 66 -15.231 6.885 -19.103 528 HE1 HIS 66 HE1 HIS 66 -16.390 7.912 -15.156 529 HE2 HIS 66 HE2 HIS 66 -16.677 8.418 -17.604 530 H HIS 67 H HIS 67 -12.548 2.388 -17.281 531 HA HIS 67 HA HIS 67 -10.648 1.755 -19.429 532 HB2 HIS 67 2HB HIS 67 -9.925 2.389 -16.558 533 HB3 HIS 67 3HB HIS 67 -8.831 1.576 -17.674 534 HD1 HIS 67 HD1 HIS 67 -7.845 3.000 -19.608 535 HD2 HIS 67 HD2 HIS 67 -10.190 5.137 -16.928 536 HE1 HIS 67 HE1 HIS 67 -7.360 5.416 -20.072 537 HE2 HIS 67 HE2 HIS 67 -8.930 6.683 -18.576 538 H HIS 68 H HIS 68 -10.427 -0.383 -19.751 539 HA HIS 68 HA HIS 68 -11.848 -2.299 -18.203 540 HB2 HIS 68 2HB HIS 68 -11.218 -2.490 -20.662 541 HB3 HIS 68 3HB HIS 68 -9.581 -2.872 -20.136 542 HD1 HIS 68 HD1 HIS 68 -9.117 -5.294 -19.759 543 HD2 HIS 68 HD2 HIS 68 -13.185 -4.454 -19.684 544 HE1 HIS 68 HE1 HIS 68 -10.257 -7.515 -19.576 545 HE2 HIS 68 HE2 HIS 68 -12.706 -6.994 -19.778 546 H HIS 69 H HIS 69 -11.265 -2.751 -16.142 547 HA HIS 69 HA HIS 69 -8.629 -2.113 -15.191 548 HB2 HIS 69 2HB HIS 69 -9.531 -2.646 -12.963 549 HB3 HIS 69 3HB HIS 69 -10.569 -1.542 -13.851 550 HD1 HIS 69 HD1 HIS 69 -12.931 -2.345 -14.424 551 HD2 HIS 69 HD2 HIS 69 -10.630 -5.221 -12.502 552 HE1 HIS 69 HE1 HIS 69 -14.534 -4.150 -13.764 553 HE2 HIS 69 HE2 HIS 69 -13.158 -5.751 -12.404 554 H HIS 70 H HIS 70 -8.787 -4.438 -17.003 555 HA HIS 70 HA HIS 70 -7.013 -6.134 -15.500 556 HB2 HIS 70 2HB HIS 70 -9.178 -7.129 -14.890 557 HB3 HIS 70 3HB HIS 70 -9.593 -7.300 -16.593 558 HD1 HIS 70 HD1 HIS 70 -8.975 -9.469 -17.651 559 HD2 HIS 70 HD2 HIS 70 -6.843 -8.780 -14.153 560 HE1 HIS 70 HE1 HIS 70 -7.630 -11.548 -17.264 561 HE2 HIS 70 HE2 HIS 70 -6.521 -11.186 -15.035 562 H HIS 71 H HIS 71 -5.564 -7.177 -16.801 563 HA HIS 71 HA HIS 71 -5.738 -6.656 -19.679 564 HB2 HIS 71 2HB HIS 71 -3.442 -7.714 -18.001 565 HB3 HIS 71 3HB HIS 71 -3.358 -7.343 -19.721 566 HD1 HIS 71 HD1 HIS 71 -3.343 -5.752 -16.360 567 HD2 HIS 71 HD2 HIS 71 -3.356 -4.580 -20.347 568 HE1 HIS 71 HE1 HIS 71 -2.768 -3.314 -16.345 569 HE2 HIS 71 HE2 HIS 71 -2.610 -2.673 -18.769 Start of MODEL 13 1 H1 MET 1 1H MET 1 -26.216 -29.308 1.275 2 H2 MET 1 2H MET 1 -27.515 -30.119 0.564 3 H3 MET 1 3H MET 1 -27.728 -29.305 2.031 4 HA MET 1 HA MET 1 -27.098 -28.059 -0.581 5 HB2 MET 1 2HB MET 1 -29.637 -28.023 1.079 6 HB3 MET 1 3HB MET 1 -29.371 -27.072 -0.377 7 HG2 MET 1 2HG MET 1 -29.223 -29.064 -1.717 8 HG3 MET 1 3HG MET 1 -29.304 -30.082 -0.281 9 HE1 MET 1 3HE MET 1 -32.969 -29.464 0.945 10 HE2 MET 1 1HE MET 1 -31.549 -28.535 1.433 11 HE3 MET 1 2HE MET 1 -31.444 -30.286 1.259 12 HA PRO 2 HA PRO 2 -25.485 -25.287 2.686 13 HB2 PRO 2 2HB PRO 2 -23.378 -24.339 1.325 14 HB3 PRO 2 3HB PRO 2 -23.376 -25.972 2.006 15 HG2 PRO 2 2HG PRO 2 -23.895 -25.099 -0.817 16 HG3 PRO 2 3HG PRO 2 -22.907 -26.450 -0.227 17 HD2 PRO 2 2HD PRO 2 -25.480 -26.735 -1.149 18 HD3 PRO 2 3HD PRO 2 -24.727 -27.831 0.027 19 H THR 3 H THR 3 -25.647 -23.069 3.020 20 HA THR 3 HA THR 3 -27.017 -21.490 0.998 21 HB THR 3 HB THR 3 -27.776 -21.166 3.253 22 HG1 THR 3 HG1 THR 3 -26.248 -18.834 2.642 23 HG21 THR 3 3HG2 THR 3 -26.359 -20.261 5.041 24 HG22 THR 3 1HG2 THR 3 -24.958 -20.334 3.971 25 HG23 THR 3 2HG2 THR 3 -25.761 -21.820 4.476 26 H LYS 4 H LYS 4 -25.446 -21.406 -0.624 27 HA LYS 4 HA LYS 4 -22.716 -20.866 -0.212 28 HB2 LYS 4 2HB LYS 4 -23.641 -22.093 -2.138 29 HB3 LYS 4 3HB LYS 4 -24.337 -20.601 -2.747 30 HG2 LYS 4 2HG LYS 4 -22.070 -19.664 -2.998 31 HG3 LYS 4 3HG LYS 4 -21.397 -21.190 -2.420 32 HD2 LYS 4 2HD LYS 4 -22.425 -22.363 -4.317 33 HD3 LYS 4 3HD LYS 4 -23.099 -20.839 -4.898 34 HE2 LYS 4 2HE LYS 4 -20.775 -19.963 -5.109 35 HE3 LYS 4 3HE LYS 4 -20.175 -21.561 -4.667 36 HZ1 LYS 4 3HZ LYS 4 -20.200 -21.249 -7.060 37 HZ2 LYS 4 1HZ LYS 4 -21.865 -20.948 -7.029 38 HZ3 LYS 4 2HZ LYS 4 -21.274 -22.477 -6.610 39 HA PRO 5 HA PRO 5 -23.002 -16.330 -0.287 40 HB2 PRO 5 2HB PRO 5 -21.016 -15.838 1.417 41 HB3 PRO 5 3HB PRO 5 -22.539 -16.527 1.997 42 HG2 PRO 5 2HG PRO 5 -19.905 -17.862 1.546 43 HG3 PRO 5 3HG PRO 5 -21.122 -18.170 2.795 44 HD2 PRO 5 2HD PRO 5 -20.773 -19.604 0.368 45 HD3 PRO 5 3HD PRO 5 -22.126 -19.756 1.508 46 HA PRO 6 HA PRO 6 -19.490 -15.563 -3.047 47 HB2 PRO 6 2HB PRO 6 -19.782 -12.943 -3.451 48 HB3 PRO 6 3HB PRO 6 -21.027 -14.080 -3.992 49 HG2 PRO 6 2HG PRO 6 -21.005 -12.288 -1.597 50 HG3 PRO 6 3HG PRO 6 -22.355 -12.711 -2.666 51 HD2 PRO 6 2HD PRO 6 -21.789 -13.879 -0.171 52 HD3 PRO 6 3HD PRO 6 -22.890 -14.531 -1.401 53 H TYR 7 H TYR 7 -17.329 -15.026 -2.884 54 HA TYR 7 HA TYR 7 -16.390 -13.959 -0.334 55 HB2 TYR 7 2HB TYR 7 -15.334 -16.001 -1.198 56 HB3 TYR 7 3HB TYR 7 -14.849 -15.148 -2.660 57 HD1 TYR 7 HD1 TYR 7 -14.463 -14.916 1.064 58 HD2 TYR 7 HD2 TYR 7 -12.692 -14.271 -2.754 59 HE1 TYR 7 HE1 TYR 7 -12.360 -14.257 2.154 60 HE2 TYR 7 HE2 TYR 7 -10.587 -13.610 -1.673 61 HH TYR 7 HH TYR 7 -10.107 -13.935 1.787 62 HA PRO 8 HA PRO 8 -15.895 -9.923 -2.257 63 HB2 PRO 8 2HB PRO 8 -15.064 -8.599 -0.056 64 HB3 PRO 8 3HB PRO 8 -16.740 -9.116 -0.268 65 HG2 PRO 8 2HG PRO 8 -14.548 -10.406 1.317 66 HG3 PRO 8 3HG PRO 8 -16.241 -10.132 1.769 67 HD2 PRO 8 2HD PRO 8 -15.304 -12.524 0.863 68 HD3 PRO 8 3HD PRO 8 -16.976 -11.982 0.616 69 H ARG 9 H ARG 9 -13.770 -8.270 -0.888 70 HA ARG 9 HA ARG 9 -11.295 -9.496 -1.762 71 HB2 ARG 9 2HB ARG 9 -10.854 -7.746 -3.498 72 HB3 ARG 9 3HB ARG 9 -12.175 -8.832 -3.908 73 HG2 ARG 9 2HG ARG 9 -13.617 -6.906 -2.772 74 HG3 ARG 9 3HG ARG 9 -12.229 -5.933 -3.247 75 HD2 ARG 9 2HD ARG 9 -13.909 -7.647 -5.083 76 HD3 ARG 9 3HD ARG 9 -14.001 -5.896 -4.941 77 HE ARG 9 HE ARG 9 -11.621 -7.321 -5.960 78 HH11 ARG 9 1HH1 ARG 9 -13.742 -4.611 -5.964 79 HH12 ARG 9 2HH1 ARG 9 -13.088 -3.959 -7.417 80 HH21 ARG 9 1HH2 ARG 9 -10.775 -6.484 -7.808 81 HH22 ARG 9 2HH2 ARG 9 -11.407 -5.013 -8.462 82 H GLU 10 H GLU 10 -10.659 -9.058 0.396 83 HA GLU 10 HA GLU 10 -10.692 -6.336 1.402 84 HB2 GLU 10 2HB GLU 10 -9.833 -8.976 2.575 85 HB3 GLU 10 3HB GLU 10 -9.511 -7.456 3.395 86 HG2 GLU 10 2HG GLU 10 -11.498 -8.486 4.284 87 HG3 GLU 10 3HG GLU 10 -11.904 -6.981 3.467 88 H ALA 11 H ALA 11 -8.991 -4.987 1.689 89 HA ALA 11 HA ALA 11 -6.335 -5.891 0.731 90 HB1 ALA 11 3HB ALA 11 -7.386 -4.275 -0.790 91 HB2 ALA 11 1HB ALA 11 -5.935 -3.609 -0.041 92 HB3 ALA 11 2HB ALA 11 -7.528 -3.120 0.536 93 H TYR 12 H TYR 12 -4.476 -4.787 1.698 94 HA TYR 12 HA TYR 12 -4.929 -3.443 4.261 95 HB2 TYR 12 2HB TYR 12 -3.263 -4.871 5.407 96 HB3 TYR 12 3HB TYR 12 -4.670 -5.788 4.884 97 HD1 TYR 12 HD1 TYR 12 -4.497 -7.386 3.016 98 HD2 TYR 12 HD2 TYR 12 -1.070 -5.309 4.460 99 HE1 TYR 12 HE1 TYR 12 -3.042 -8.980 1.847 100 HE2 TYR 12 HE2 TYR 12 0.392 -6.899 3.286 101 HH TYR 12 HH TYR 12 -0.764 -9.092 0.944 102 H ILE 13 H ILE 13 -3.265 -2.030 4.877 103 HA ILE 13 HA ILE 13 -1.340 -1.416 2.732 104 HB ILE 13 HB ILE 13 -2.333 0.345 4.986 105 HG12 ILE 13 2HG1 ILE 13 -2.958 0.377 2.014 106 HG13 ILE 13 3HG1 ILE 13 -4.059 -0.123 3.291 107 HG21 ILE 13 1HG2 ILE 13 -0.542 1.015 2.644 108 HG22 ILE 13 2HG2 ILE 13 -0.051 0.915 4.336 109 HG23 ILE 13 3HG2 ILE 13 -1.176 2.170 3.816 110 HD11 ILE 13 3HD1 ILE 13 -4.039 2.154 4.189 111 HD12 ILE 13 1HD1 ILE 13 -4.588 2.107 2.514 112 HD13 ILE 13 2HD1 ILE 13 -2.952 2.649 2.891 113 H VAL 14 H VAL 14 0.793 -1.606 3.039 114 HA VAL 14 HA VAL 14 1.822 -2.004 5.789 115 HB VAL 14 HB VAL 14 2.977 -3.059 3.190 116 HG11 VAL 14 1HG1 VAL 14 4.730 -2.579 4.810 117 HG12 VAL 14 2HG1 VAL 14 4.529 -4.323 4.628 118 HG13 VAL 14 3HG1 VAL 14 3.875 -3.501 6.046 119 HG21 VAL 14 3HG2 VAL 14 0.927 -4.228 3.806 120 HG22 VAL 14 1HG2 VAL 14 1.556 -4.521 5.427 121 HG23 VAL 14 2HG2 VAL 14 2.326 -5.277 4.031 122 H THR 15 H THR 15 3.191 -0.476 6.531 123 HA THR 15 HA THR 15 4.145 1.613 4.732 124 HB THR 15 HB THR 15 4.863 2.817 6.707 125 HG1 THR 15 HG1 THR 15 5.680 1.290 8.070 126 HG21 THR 15 3HG2 THR 15 2.742 2.998 7.937 127 HG22 THR 15 1HG2 THR 15 2.180 1.502 7.189 128 HG23 THR 15 2HG2 THR 15 2.474 2.930 6.196 129 H ILE 16 H ILE 16 6.067 1.526 3.768 130 HA ILE 16 HA ILE 16 8.264 0.024 5.063 131 HB ILE 16 HB ILE 16 9.194 -0.455 2.875 132 HG12 ILE 16 2HG1 ILE 16 6.786 0.987 1.711 133 HG13 ILE 16 3HG1 ILE 16 8.423 1.637 1.752 134 HG21 ILE 16 1HG2 ILE 16 7.430 -1.946 1.987 135 HG22 ILE 16 2HG2 ILE 16 6.251 -1.140 3.025 136 HG23 ILE 16 3HG2 ILE 16 7.581 -2.051 3.741 137 HD11 ILE 16 3HD1 ILE 16 7.542 -0.838 0.283 138 HD12 ILE 16 1HD1 ILE 16 9.182 -0.189 0.324 139 HD13 ILE 16 2HD1 ILE 16 7.885 0.736 -0.431 140 H GLU 17 H GLU 17 10.475 0.804 4.401 141 HA GLU 17 HA GLU 17 10.523 3.735 4.013 142 HB2 GLU 17 2HB GLU 17 12.341 2.114 5.815 143 HB3 GLU 17 3HB GLU 17 12.446 3.849 5.544 144 HG2 GLU 17 2HG GLU 17 10.200 4.113 6.531 145 HG3 GLU 17 3HG GLU 17 10.159 2.379 6.854 146 H LYS 18 H LYS 18 11.470 4.217 2.137 147 HA LYS 18 HA LYS 18 13.692 2.514 1.171 148 HB2 LYS 18 2HB LYS 18 11.555 3.861 -0.506 149 HB3 LYS 18 3HB LYS 18 12.933 2.967 -1.140 150 HG2 LYS 18 2HG LYS 18 12.080 0.950 0.077 151 HG3 LYS 18 3HG LYS 18 10.628 1.874 0.464 152 HD2 LYS 18 2HD LYS 18 11.631 1.251 -2.324 153 HD3 LYS 18 3HD LYS 18 10.313 0.421 -1.499 154 HE2 LYS 18 2HE LYS 18 9.102 2.592 -1.374 155 HE3 LYS 18 3HE LYS 18 10.389 3.321 -2.334 156 HZ1 LYS 18 3HZ LYS 18 8.610 2.732 -3.779 157 HZ2 LYS 18 1HZ LYS 18 8.540 1.154 -3.172 158 HZ3 LYS 18 2HZ LYS 18 9.877 1.654 -4.080 159 H GLY 19 H GLY 19 14.930 3.746 -0.688 160 HA2 GLY 19 2HA GLY 19 15.856 5.808 -1.456 161 HA3 GLY 19 3HA GLY 19 15.233 6.601 -0.019 162 H LYS 20 H LYS 20 17.048 7.454 0.885 163 HA LYS 20 HA LYS 20 19.545 6.001 1.010 164 HB2 LYS 20 2HB LYS 20 18.697 8.597 2.319 165 HB3 LYS 20 3HB LYS 20 20.335 7.958 2.322 166 HG2 LYS 20 2HG LYS 20 20.416 8.138 -0.119 167 HG3 LYS 20 3HG LYS 20 18.768 8.773 -0.125 168 HD2 LYS 20 2HD LYS 20 19.504 10.700 1.209 169 HD3 LYS 20 3HD LYS 20 21.149 10.058 1.230 170 HE2 LYS 20 2HE LYS 20 20.877 11.830 -0.449 171 HE3 LYS 20 3HE LYS 20 21.293 10.285 -1.187 172 HZ1 LYS 20 3HZ LYS 20 19.532 11.484 -2.378 173 HZ2 LYS 20 1HZ LYS 20 18.539 11.379 -1.015 174 HZ3 LYS 20 2HZ LYS 20 19.015 9.974 -1.823 175 HA PRO 21 HA PRO 21 19.115 3.902 4.930 176 HB2 PRO 21 2HB PRO 21 21.787 5.010 5.651 177 HB3 PRO 21 3HB PRO 21 21.236 3.331 5.618 178 HG2 PRO 21 2HG PRO 21 22.853 4.262 3.715 179 HG3 PRO 21 3HG PRO 21 21.535 3.141 3.318 180 HD2 PRO 21 2HD PRO 21 21.679 6.113 2.932 181 HD3 PRO 21 3HD PRO 21 21.005 4.867 1.858 182 H GLY 22 H GLY 22 20.636 7.125 5.189 183 HA2 GLY 22 2HA GLY 22 19.486 7.609 7.800 184 HA3 GLY 22 3HA GLY 22 20.442 8.735 6.852 185 H GLN 23 H GLN 23 18.980 8.931 4.529 186 HA GLN 23 HA GLN 23 16.558 10.298 5.464 187 HB2 GLN 23 2HB GLN 23 18.056 10.500 2.839 188 HB3 GLN 23 3HB GLN 23 16.551 11.344 3.177 189 HG2 GLN 23 2HG GLN 23 19.160 11.695 4.642 190 HG3 GLN 23 3HG GLN 23 18.461 12.811 3.473 191 HE21 GLN 23 1HE2 GLN 23 15.735 12.421 4.521 192 HE22 GLN 23 2HE2 GLN 23 15.685 13.272 6.021 193 H THR 24 H THR 24 15.420 8.287 5.772 194 HA THR 24 HA THR 24 14.658 6.784 3.399 195 HB THR 24 HB THR 24 13.283 5.419 4.934 196 HG1 THR 24 HG1 THR 24 12.664 6.470 6.674 197 HG21 THR 24 3HG2 THR 24 15.614 4.788 4.592 198 HG22 THR 24 1HG2 THR 24 15.123 4.449 6.253 199 HG23 THR 24 2HG2 THR 24 16.113 5.865 5.897 200 H VAL 25 H VAL 25 12.636 6.725 2.489 201 HA VAL 25 HA VAL 25 10.704 8.775 3.359 202 HB VAL 25 HB VAL 25 10.901 7.408 0.661 203 HG11 VAL 25 1HG1 VAL 25 8.619 8.101 1.217 204 HG12 VAL 25 2HG1 VAL 25 9.280 9.078 -0.092 205 HG13 VAL 25 3HG1 VAL 25 9.185 9.741 1.541 206 HG21 VAL 25 3HG2 VAL 25 12.813 8.869 1.009 207 HG22 VAL 25 1HG2 VAL 25 11.747 10.192 1.487 208 HG23 VAL 25 2HG2 VAL 25 11.712 9.584 -0.170 209 H THR 26 H THR 26 8.796 8.123 4.172 210 HA THR 26 HA THR 26 8.258 5.301 4.477 211 HB THR 26 HB THR 26 6.607 7.698 5.336 212 HG1 THR 26 HG1 THR 26 7.801 7.684 7.094 213 HG21 THR 26 3HG2 THR 26 6.339 4.784 6.118 214 HG22 THR 26 1HG2 THR 26 5.205 5.689 5.112 215 HG23 THR 26 2HG2 THR 26 5.423 6.124 6.807 216 H TRP 27 H TRP 27 7.341 4.147 2.922 217 HA TRP 27 HA TRP 27 5.344 5.414 1.151 218 HB2 TRP 27 2HB TRP 27 7.150 3.027 0.698 219 HB3 TRP 27 3HB TRP 27 5.859 3.498 -0.404 220 HD1 TRP 27 HD1 TRP 27 9.403 4.420 0.615 221 HE1 TRP 27 HE1 TRP 27 10.297 6.222 -0.998 222 HE3 TRP 27 HE3 TRP 27 5.058 5.531 -1.840 223 HZ2 TRP 27 HZ2 TRP 27 9.283 7.903 -3.026 224 HZ3 TRP 27 HZ3 TRP 27 5.098 7.258 -3.592 225 HH2 TRP 27 HH2 TRP 27 7.170 8.421 -4.173 226 H TYR 28 H TYR 28 3.293 4.716 1.184 227 HA TYR 28 HA TYR 28 2.587 2.421 2.859 228 HB2 TYR 28 2HB TYR 28 0.869 4.518 1.496 229 HB3 TYR 28 3HB TYR 28 0.250 3.227 2.522 230 HD1 TYR 28 HD2 TYR 28 2.463 6.219 2.529 231 HD2 TYR 28 HD1 TYR 28 0.175 3.490 4.866 232 HE1 TYR 28 HE2 TYR 28 2.793 7.641 4.505 233 HE2 TYR 28 HE1 TYR 28 0.501 4.910 6.845 234 HH TYR 28 HH TYR 28 2.088 6.609 7.661 235 H GLN 29 H GLN 29 2.510 0.483 1.915 236 HA GLN 29 HA GLN 29 1.947 0.267 -0.954 237 HB2 GLN 29 2HB GLN 29 3.029 -1.773 1.002 238 HB3 GLN 29 3HB GLN 29 2.736 -2.083 -0.703 239 HG2 GLN 29 2HG GLN 29 4.344 -0.186 -1.181 240 HG3 GLN 29 3HG GLN 29 4.775 -0.251 0.527 241 HE21 GLN 29 1HE2 GLN 29 6.391 -0.793 -1.836 242 HE22 GLN 29 2HE2 GLN 29 6.992 -2.400 -1.639 243 H LEU 30 H LEU 30 -0.120 0.002 -1.478 244 HA LEU 30 HA LEU 30 -2.026 -1.324 0.233 245 HB2 LEU 30 2HB LEU 30 -2.680 0.550 -1.223 246 HB3 LEU 30 3HB LEU 30 -2.258 -0.396 -2.640 247 HG LEU 30 HG LEU 30 -4.049 -2.005 -2.098 248 HD11 LEU 30 1HD1 LEU 30 -4.099 -1.751 0.317 249 HD12 LEU 30 2HD1 LEU 30 -5.698 -1.461 -0.365 250 HD13 LEU 30 3HD1 LEU 30 -4.702 -0.099 0.153 251 HD21 LEU 30 3HD2 LEU 30 -4.979 0.868 -2.248 252 HD22 LEU 30 1HD2 LEU 30 -5.946 -0.552 -2.647 253 HD23 LEU 30 2HD2 LEU 30 -4.528 -0.152 -3.614 254 H ARG 31 H ARG 31 -2.184 -3.483 0.386 255 HA ARG 31 HA ARG 31 -1.556 -5.150 -1.970 256 HB2 ARG 31 2HB ARG 31 -0.745 -5.652 0.904 257 HB3 ARG 31 3HB ARG 31 -0.551 -6.813 -0.402 258 HG2 ARG 31 2HG ARG 31 0.970 -5.272 -1.551 259 HG3 ARG 31 3HG ARG 31 0.775 -4.106 -0.242 260 HD2 ARG 31 2HD ARG 31 1.769 -5.647 1.334 261 HD3 ARG 31 3HD ARG 31 1.856 -6.904 0.099 262 HE ARG 31 HE ARG 31 3.364 -4.380 -0.135 263 HH11 ARG 31 1HH1 ARG 31 3.235 -7.825 -0.157 264 HH12 ARG 31 2HH1 ARG 31 4.865 -7.986 -0.710 265 HH21 ARG 31 1HH2 ARG 31 5.464 -4.616 -0.827 266 HH22 ARG 31 2HH2 ARG 31 6.108 -6.201 -1.075 267 H ALA 32 H ALA 32 -2.379 -7.452 -1.699 268 HA ALA 32 HA ALA 32 -4.780 -7.633 0.005 269 HB1 ALA 32 3HB ALA 32 -4.682 -8.424 -2.912 270 HB2 ALA 32 1HB ALA 32 -5.553 -7.048 -2.235 271 HB3 ALA 32 2HB ALA 32 -6.040 -8.690 -1.815 272 H ASP 33 H ASP 33 -5.573 -9.951 0.171 273 HA ASP 33 HA ASP 33 -3.257 -11.710 0.538 274 HB2 ASP 33 2HB ASP 33 -6.105 -11.936 1.533 275 HB3 ASP 33 3HB ASP 33 -4.825 -13.093 1.889 276 H HIS 34 H HIS 34 -5.667 -11.251 -1.762 277 HA HIS 34 HA HIS 34 -5.094 -13.861 -2.955 278 HB2 HIS 34 2HB HIS 34 -7.888 -12.817 -2.420 279 HB3 HIS 34 3HB HIS 34 -7.549 -14.107 -3.565 280 HD1 HIS 34 HD1 HIS 34 -8.561 -13.653 -0.186 281 HD2 HIS 34 HD2 HIS 34 -6.047 -16.330 -2.136 282 HE1 HIS 34 HE1 HIS 34 -8.326 -15.607 1.365 283 HE2 HIS 34 HE2 HIS 34 -6.690 -17.141 0.235 284 HA PRO 35 HA PRO 35 -5.953 -14.952 -4.955 285 HB2 PRO 35 2HB PRO 35 -4.183 -14.823 -7.309 286 HB3 PRO 35 3HB PRO 35 -5.784 -15.552 -7.151 287 HG2 PRO 35 2HG PRO 35 -5.394 -13.305 -8.578 288 HG3 PRO 35 3HG PRO 35 -6.881 -13.573 -7.648 289 HD2 PRO 35 2HD PRO 35 -4.471 -11.923 -6.931 290 HD3 PRO 35 3HD PRO 35 -6.196 -11.518 -6.770 291 H LYS 36 H LYS 36 -3.138 -12.885 -5.101 292 HA LYS 36 HA LYS 36 -1.530 -15.012 -3.812 293 HB2 LYS 36 2HB LYS 36 -0.565 -12.671 -5.471 294 HB3 LYS 36 3HB LYS 36 0.479 -13.798 -4.627 295 HG2 LYS 36 2HG LYS 36 -1.451 -14.615 -6.790 296 HG3 LYS 36 3HG LYS 36 0.241 -14.208 -7.079 297 HD2 LYS 36 2HD LYS 36 0.897 -16.011 -5.495 298 HD3 LYS 36 3HD LYS 36 -0.805 -16.448 -5.338 299 HE2 LYS 36 2HE LYS 36 -0.920 -17.010 -7.689 300 HE3 LYS 36 3HE LYS 36 0.737 -16.459 -7.938 301 HZ1 LYS 36 3HZ LYS 36 0.579 -18.875 -7.754 302 HZ2 LYS 36 1HZ LYS 36 -0.070 -18.731 -6.200 303 HZ3 LYS 36 2HZ LYS 36 1.514 -18.226 -6.503 304 HA PRO 37 HA PRO 37 -1.467 -12.333 -0.172 305 HB2 PRO 37 2HB PRO 37 1.109 -13.729 0.362 306 HB3 PRO 37 3HB PRO 37 -0.320 -13.575 1.390 307 HG2 PRO 37 2HG PRO 37 0.271 -15.891 0.182 308 HG3 PRO 37 3HG PRO 37 -1.409 -15.354 0.373 309 HD2 PRO 37 2HD PRO 37 0.334 -15.292 -2.067 310 HD3 PRO 37 3HD PRO 37 -1.400 -15.651 -1.923 311 H ASP 38 H ASP 38 1.178 -12.824 -2.381 312 HA ASP 38 HA ASP 38 2.781 -10.599 -1.557 313 HB2 ASP 38 2HB ASP 38 2.830 -12.179 -4.139 314 HB3 ASP 38 3HB ASP 38 4.112 -11.140 -3.534 315 H SER 39 H SER 39 -0.153 -10.585 -3.074 316 HA SER 39 HA SER 39 0.205 -9.105 -5.422 317 HB2 SER 39 2HB SER 39 -2.189 -8.571 -5.273 318 HB3 SER 39 3HB SER 39 -1.893 -10.266 -4.890 319 HG SER 39 HG SER 39 -2.328 -9.898 -2.797 320 H LEU 40 H LEU 40 1.222 -7.220 -5.550 321 HA LEU 40 HA LEU 40 0.665 -5.110 -3.573 322 HB2 LEU 40 2HB LEU 40 3.027 -5.627 -3.919 323 HB3 LEU 40 3HB LEU 40 2.860 -5.359 -5.643 324 HG LEU 40 HG LEU 40 2.420 -2.972 -5.248 325 HD11 LEU 40 1HD1 LEU 40 2.701 -2.003 -3.027 326 HD12 LEU 40 2HD1 LEU 40 2.899 -3.614 -2.339 327 HD13 LEU 40 3HD1 LEU 40 1.358 -3.144 -3.059 328 HD21 LEU 40 3HD2 LEU 40 4.665 -2.335 -4.522 329 HD22 LEU 40 1HD2 LEU 40 4.719 -3.720 -5.614 330 HD23 LEU 40 2HD2 LEU 40 4.928 -3.958 -3.878 331 H ILE 41 H ILE 41 -0.893 -3.734 -4.121 332 HA ILE 41 HA ILE 41 -1.784 -3.459 -6.863 333 HB ILE 41 HB ILE 41 -2.793 -2.061 -4.376 334 HG12 ILE 41 2HG1 ILE 41 -2.985 -4.501 -4.168 335 HG13 ILE 41 3HG1 ILE 41 -4.572 -3.763 -4.349 336 HG21 ILE 41 1HG2 ILE 41 -3.437 -0.894 -6.404 337 HG22 ILE 41 2HG2 ILE 41 -4.841 -1.683 -5.689 338 HG23 ILE 41 3HG2 ILE 41 -4.057 -2.391 -7.100 339 HD11 ILE 41 3HD1 ILE 41 -3.011 -5.205 -6.482 340 HD12 ILE 41 1HD1 ILE 41 -4.567 -4.409 -6.725 341 HD13 ILE 41 2HD1 ILE 41 -4.442 -5.790 -5.636 342 H SER 42 H SER 42 -0.575 -1.186 -4.355 343 HA SER 42 HA SER 42 0.696 0.487 -6.327 344 HB2 SER 42 2HB SER 42 -1.637 1.208 -6.644 345 HB3 SER 42 3HB SER 42 -1.769 1.565 -4.924 346 HG SER 42 HG SER 42 -0.576 3.000 -6.953 347 H GLU 43 H GLU 43 1.871 2.282 -5.418 348 HA GLU 43 HA GLU 43 2.238 2.168 -2.480 349 HB2 GLU 43 2HB GLU 43 4.307 2.680 -4.635 350 HB3 GLU 43 3HB GLU 43 4.610 2.854 -2.911 351 HG2 GLU 43 2HG GLU 43 4.299 0.522 -2.541 352 HG3 GLU 43 3HG GLU 43 3.714 0.276 -4.186 353 H HIS 44 H HIS 44 1.604 4.006 -1.498 354 HA HIS 44 HA HIS 44 1.828 6.565 -2.974 355 HB2 HIS 44 2HB HIS 44 -0.407 5.701 -1.117 356 HB3 HIS 44 3HB HIS 44 -0.238 7.317 -1.794 357 HD1 HIS 44 HD1 HIS 44 -2.801 5.959 -2.428 358 HD2 HIS 44 HD2 HIS 44 0.572 5.448 -4.787 359 HE1 HIS 44 HE1 HIS 44 -3.654 5.182 -4.647 360 HE2 HIS 44 HE2 HIS 44 -1.589 4.723 -6.000 361 HA PRO 45 HA PRO 45 4.298 7.942 0.414 362 HB2 PRO 45 2HB PRO 45 4.026 10.638 0.199 363 HB3 PRO 45 3HB PRO 45 4.950 9.665 -0.954 364 HG2 PRO 45 2HG PRO 45 2.139 10.696 -1.178 365 HG3 PRO 45 3HG PRO 45 3.433 10.713 -2.391 366 HD2 PRO 45 2HD PRO 45 1.466 8.860 -2.417 367 HD3 PRO 45 3HD PRO 45 3.122 8.488 -2.943 368 H THR 46 H THR 46 0.920 8.917 0.343 369 HA THR 46 HA THR 46 1.026 9.345 3.271 370 HB THR 46 HB THR 46 -0.917 10.827 3.094 371 HG1 THR 46 HG1 THR 46 -1.790 11.365 1.120 372 HG21 THR 46 3HG2 THR 46 1.348 11.642 1.262 373 HG22 THR 46 1HG2 THR 46 1.282 11.875 3.009 374 HG23 THR 46 2HG2 THR 46 0.159 12.741 1.958 375 H ALA 47 H ALA 47 -0.826 8.655 4.500 376 HA ALA 47 HA ALA 47 -1.708 6.062 3.722 377 HB1 ALA 47 3HB ALA 47 -2.848 5.992 5.851 378 HB2 ALA 47 1HB ALA 47 -2.681 7.738 6.036 379 HB3 ALA 47 2HB ALA 47 -1.250 6.707 6.066 380 H GLN 48 H GLN 48 -3.406 9.182 4.059 381 HA GLN 48 HA GLN 48 -6.000 8.336 3.484 382 HB2 GLN 48 2HB GLN 48 -5.091 10.669 4.197 383 HB3 GLN 48 3HB GLN 48 -4.927 10.970 2.478 384 HG2 GLN 48 2HG GLN 48 -7.504 10.292 3.898 385 HG3 GLN 48 3HG GLN 48 -6.993 11.905 3.421 386 HE21 GLN 48 1HE2 GLN 48 -8.332 8.903 2.372 387 HE22 GLN 48 2HE2 GLN 48 -8.712 9.398 0.761 388 H GLU 49 H GLU 49 -3.525 9.539 1.203 389 HA GLU 49 HA GLU 49 -4.946 9.249 -1.181 390 HB2 GLU 49 2HB GLU 49 -2.475 10.143 -0.530 391 HB3 GLU 49 3HB GLU 49 -2.035 8.595 -1.215 392 HG2 GLU 49 2HG GLU 49 -3.819 10.460 -2.737 393 HG3 GLU 49 3HG GLU 49 -2.078 10.716 -2.712 394 H ALA 50 H ALA 50 -3.022 6.878 0.625 395 HA ALA 50 HA ALA 50 -3.295 4.745 -1.248 396 HB1 ALA 50 3HB ALA 50 -1.515 4.829 0.449 397 HB2 ALA 50 1HB ALA 50 -2.433 3.323 0.525 398 HB3 ALA 50 2HB ALA 50 -2.722 4.596 1.714 399 H MET 51 H MET 51 -5.151 5.693 1.623 400 HA MET 51 HA MET 51 -6.821 3.401 1.698 401 HB2 MET 51 2HB MET 51 -7.204 6.170 2.847 402 HB3 MET 51 3HB MET 51 -8.293 4.823 3.158 403 HG2 MET 51 2HG MET 51 -6.448 3.570 4.171 404 HG3 MET 51 3HG MET 51 -5.369 4.933 3.873 405 HE1 MET 51 3HE MET 51 -9.011 5.164 6.698 406 HE2 MET 51 1HE MET 51 -8.584 3.717 5.786 407 HE3 MET 51 2HE MET 51 -9.147 5.159 4.941 408 H ASP 52 H ASP 52 -7.111 6.508 0.048 409 HA ASP 52 HA ASP 52 -9.829 6.253 -0.672 410 HB2 ASP 52 2HB ASP 52 -8.269 8.328 -0.791 411 HB3 ASP 52 3HB ASP 52 -7.839 7.720 -2.390 412 H ALA 53 H ALA 53 -6.878 5.032 -2.165 413 HA ALA 53 HA ALA 53 -8.201 3.844 -4.427 414 HB1 ALA 53 3HB ALA 53 -5.519 3.194 -3.188 415 HB2 ALA 53 1HB ALA 53 -5.804 4.366 -4.474 416 HB3 ALA 53 2HB ALA 53 -6.086 2.651 -4.768 417 H LYS 54 H LYS 54 -7.219 2.765 -1.214 418 HA LYS 54 HA LYS 54 -7.719 0.039 -1.367 419 HB2 LYS 54 2HB LYS 54 -6.606 1.167 0.518 420 HB3 LYS 54 3HB LYS 54 -8.134 1.891 0.994 421 HG2 LYS 54 2HG LYS 54 -9.036 -0.308 1.523 422 HG3 LYS 54 3HG LYS 54 -7.539 -1.067 0.976 423 HD2 LYS 54 2HD LYS 54 -6.307 0.196 2.725 424 HD3 LYS 54 3HD LYS 54 -7.840 0.849 3.301 425 HE2 LYS 54 2HE LYS 54 -7.156 -2.094 3.198 426 HE3 LYS 54 3HE LYS 54 -7.002 -1.082 4.630 427 HZ1 LYS 54 3HZ LYS 54 -9.063 -2.332 4.637 428 HZ2 LYS 54 1HZ LYS 54 -9.526 -1.634 3.170 429 HZ3 LYS 54 2HZ LYS 54 -9.383 -0.672 4.552 430 H LYS 55 H LYS 55 -9.999 2.633 -0.452 431 HA LYS 55 HA LYS 55 -12.232 1.042 0.087 432 HB2 LYS 55 2HB LYS 55 -13.585 3.044 -0.230 433 HB3 LYS 55 3HB LYS 55 -12.104 3.451 0.630 434 HG2 LYS 55 2HG LYS 55 -11.129 4.335 -1.407 435 HG3 LYS 55 3HG LYS 55 -12.562 3.876 -2.320 436 HD2 LYS 55 2HD LYS 55 -12.639 6.242 -1.846 437 HD3 LYS 55 3HD LYS 55 -13.903 5.428 -0.925 438 HE2 LYS 55 2HE LYS 55 -12.674 5.618 1.101 439 HE3 LYS 55 3HE LYS 55 -11.204 6.087 0.245 440 HZ1 LYS 55 3HZ LYS 55 -12.193 8.165 -0.352 441 HZ2 LYS 55 1HZ LYS 55 -12.358 7.964 1.322 442 HZ3 LYS 55 2HZ LYS 55 -13.687 7.714 0.301 443 H ARG 56 H ARG 56 -11.050 2.298 -3.012 444 HA ARG 56 HA ARG 56 -13.359 1.485 -4.498 445 HB2 ARG 56 2HB ARG 56 -11.902 3.334 -5.241 446 HB3 ARG 56 3HB ARG 56 -10.591 2.189 -5.506 447 HG2 ARG 56 2HG ARG 56 -11.931 1.048 -7.212 448 HG3 ARG 56 3HG ARG 56 -13.243 2.196 -6.946 449 HD2 ARG 56 2HD ARG 56 -11.811 4.024 -7.689 450 HD3 ARG 56 3HD ARG 56 -10.467 2.901 -7.908 451 HE ARG 56 HE ARG 56 -12.703 2.050 -9.413 452 HH11 ARG 56 1HH1 ARG 56 -10.289 4.504 -9.401 453 HH12 ARG 56 2HH1 ARG 56 -10.297 4.672 -11.122 454 HH21 ARG 56 1HH2 ARG 56 -12.698 2.265 -11.622 455 HH22 ARG 56 2HH2 ARG 56 -11.647 3.429 -12.362 456 H TYR 57 H TYR 57 -10.369 -0.084 -3.589 457 HA TYR 57 HA TYR 57 -10.597 -2.266 -5.433 458 HB2 TYR 57 2HB TYR 57 -8.438 -1.728 -4.420 459 HB3 TYR 57 3HB TYR 57 -9.081 -2.053 -2.813 460 HD1 TYR 57 HD1 TYR 57 -8.131 -3.628 -6.037 461 HD2 TYR 57 HD2 TYR 57 -9.211 -4.292 -1.968 462 HE1 TYR 57 HE1 TYR 57 -7.481 -5.990 -6.249 463 HE2 TYR 57 HE2 TYR 57 -8.556 -6.650 -2.172 464 HH TYR 57 HH TYR 57 -6.766 -7.854 -4.769 465 H GLU 58 H GLU 58 -11.384 -1.899 -1.977 466 HA GLU 58 HA GLU 58 -12.405 -4.558 -1.701 467 HB2 GLU 58 2HB GLU 58 -12.771 -2.168 0.122 468 HB3 GLU 58 3HB GLU 58 -13.039 -3.854 0.553 469 HG2 GLU 58 2HG GLU 58 -10.692 -4.348 0.290 470 HG3 GLU 58 3HG GLU 58 -10.382 -2.721 -0.313 471 H ASP 59 H ASP 59 -13.877 -1.418 -2.306 472 HA ASP 59 HA ASP 59 -16.568 -2.602 -2.279 473 HB2 ASP 59 2HB ASP 59 -15.586 0.263 -2.286 474 HB3 ASP 59 3HB ASP 59 -17.282 -0.168 -2.479 475 HA PRO 60 HA PRO 60 -17.239 -2.390 -6.729 476 HB2 PRO 60 2HB PRO 60 -19.442 -0.425 -6.329 477 HB3 PRO 60 3HB PRO 60 -19.466 -1.994 -7.142 478 HG2 PRO 60 2HG PRO 60 -20.582 -1.699 -4.745 479 HG3 PRO 60 3HG PRO 60 -19.672 -3.172 -5.143 480 HD2 PRO 60 2HD PRO 60 -18.825 -0.801 -3.508 481 HD3 PRO 60 3HD PRO 60 -18.548 -2.530 -3.210 482 H ASP 61 H ASP 61 -17.980 -0.534 -8.483 483 HA ASP 61 HA ASP 61 -17.377 1.291 -9.688 484 HB2 ASP 61 2HB ASP 61 -17.680 2.578 -7.532 485 HB3 ASP 61 3HB ASP 61 -15.953 2.385 -7.251 486 H LYS 62 H LYS 62 -15.679 -1.139 -9.042 487 HA LYS 62 HA LYS 62 -13.376 -0.238 -10.608 488 HB2 LYS 62 2HB LYS 62 -12.578 -0.342 -8.289 489 HB3 LYS 62 3HB LYS 62 -13.171 -1.992 -8.142 490 HG2 LYS 62 2HG LYS 62 -11.574 -2.746 -9.814 491 HG3 LYS 62 3HG LYS 62 -11.008 -1.089 -10.047 492 HD2 LYS 62 2HD LYS 62 -10.217 -1.020 -7.734 493 HD3 LYS 62 3HD LYS 62 -10.824 -2.656 -7.466 494 HE2 LYS 62 2HE LYS 62 -8.398 -2.627 -7.881 495 HE3 LYS 62 3HE LYS 62 -9.272 -3.538 -9.111 496 HZ1 LYS 62 3HZ LYS 62 -8.258 -0.760 -9.387 497 HZ2 LYS 62 1HZ LYS 62 -9.136 -1.599 -10.564 498 HZ3 LYS 62 2HZ LYS 62 -7.601 -2.138 -10.110 499 H GLU 63 H GLU 63 -12.584 -1.760 -12.068 500 HA GLU 63 HA GLU 63 -14.389 -3.797 -12.915 501 HB2 GLU 63 2HB GLU 63 -11.568 -3.127 -13.782 502 HB3 GLU 63 3HB GLU 63 -12.568 -4.339 -14.570 503 HG2 GLU 63 2HG GLU 63 -13.330 -1.435 -14.305 504 HG3 GLU 63 3HG GLU 63 -12.535 -2.130 -15.717 505 H LEU 64 H LEU 64 -13.902 -6.066 -13.200 506 HA LEU 64 HA LEU 64 -12.888 -7.304 -10.844 507 HB2 LEU 64 2HB LEU 64 -13.738 -8.449 -13.506 508 HB3 LEU 64 3HB LEU 64 -13.244 -9.441 -12.150 509 HG LEU 64 HG LEU 64 -15.637 -9.427 -12.224 510 HD11 LEU 64 1HD1 LEU 64 -14.664 -9.370 -9.996 511 HD12 LEU 64 2HD1 LEU 64 -16.205 -8.515 -10.027 512 HD13 LEU 64 3HD1 LEU 64 -14.695 -7.604 -10.010 513 HD21 LEU 64 3HD2 LEU 64 -15.990 -7.410 -13.549 514 HD22 LEU 64 1HD2 LEU 64 -15.505 -6.408 -12.180 515 HD23 LEU 64 2HD2 LEU 64 -16.975 -7.379 -12.086 516 H GLU 65 H GLU 65 -10.913 -8.070 -10.383 517 HA GLU 65 HA GLU 65 -8.749 -7.512 -12.220 518 HB2 GLU 65 2HB GLU 65 -7.258 -8.024 -10.398 519 HB3 GLU 65 3HB GLU 65 -8.559 -7.015 -9.789 520 HG2 GLU 65 2HG GLU 65 -8.397 -10.013 -9.457 521 HG3 GLU 65 3HG GLU 65 -7.905 -8.833 -8.248 522 H HIS 66 H HIS 66 -10.465 -10.335 -11.088 523 HA HIS 66 HA HIS 66 -8.534 -12.113 -12.436 524 HB2 HIS 66 2HB HIS 66 -9.176 -12.475 -9.996 525 HB3 HIS 66 3HB HIS 66 -10.781 -12.916 -10.569 526 HD1 HIS 66 HD1 HIS 66 -11.104 -15.298 -11.311 527 HD2 HIS 66 HD2 HIS 66 -7.097 -14.309 -10.833 528 HE1 HIS 66 HE1 HIS 66 -9.847 -17.456 -11.533 529 HE2 HIS 66 HE2 HIS 66 -7.451 -16.855 -11.085 530 H HIS 67 H HIS 67 -9.524 -11.263 -14.512 531 HA HIS 67 HA HIS 67 -12.277 -12.055 -15.073 532 HB2 HIS 67 2HB HIS 67 -11.357 -9.830 -15.764 533 HB3 HIS 67 3HB HIS 67 -10.297 -10.662 -16.895 534 HD1 HIS 67 HD1 HIS 67 -11.201 -10.505 -19.201 535 HD2 HIS 67 HD2 HIS 67 -14.238 -10.754 -16.378 536 HE1 HIS 67 HE1 HIS 67 -13.340 -10.455 -20.506 537 HE2 HIS 67 HE2 HIS 67 -15.151 -10.412 -18.766 538 H HIS 68 H HIS 68 -9.643 -13.845 -14.998 539 HA HIS 68 HA HIS 68 -10.655 -15.623 -17.108 540 HB2 HIS 68 2HB HIS 68 -7.786 -14.780 -16.719 541 HB3 HIS 68 3HB HIS 68 -8.190 -16.315 -17.481 542 HD1 HIS 68 HD1 HIS 68 -7.497 -12.911 -18.321 543 HD2 HIS 68 HD2 HIS 68 -10.018 -15.856 -19.807 544 HE1 HIS 68 HE1 HIS 68 -8.082 -12.182 -20.649 545 HE2 HIS 68 HE2 HIS 68 -9.459 -14.066 -21.583 546 H HIS 69 H HIS 69 -10.792 -17.754 -16.501 547 HA HIS 69 HA HIS 69 -9.386 -18.673 -14.125 548 HB2 HIS 69 2HB HIS 69 -11.636 -19.510 -13.167 549 HB3 HIS 69 3HB HIS 69 -11.207 -17.818 -12.955 550 HD1 HIS 69 HD1 HIS 69 -13.360 -19.966 -15.254 551 HD2 HIS 69 HD2 HIS 69 -13.106 -16.078 -13.808 552 HE1 HIS 69 HE1 HIS 69 -15.442 -18.811 -16.047 553 HE2 HIS 69 HE2 HIS 69 -15.354 -16.532 -14.996 554 H HIS 70 H HIS 70 -8.374 -20.221 -15.391 555 HA HIS 70 HA HIS 70 -10.038 -22.409 -16.428 556 HB2 HIS 70 2HB HIS 70 -7.984 -23.324 -17.362 557 HB3 HIS 70 3HB HIS 70 -8.113 -21.628 -17.804 558 HD1 HIS 70 HD1 HIS 70 -6.242 -23.872 -15.371 559 HD2 HIS 70 HD2 HIS 70 -5.953 -20.088 -17.080 560 HE1 HIS 70 HE1 HIS 70 -3.999 -22.986 -14.684 561 HE2 HIS 70 HE2 HIS 70 -3.808 -20.742 -15.793 562 H HIS 71 H HIS 71 -8.881 -24.683 -15.909 563 HA HIS 71 HA HIS 71 -8.283 -24.754 -13.017 564 HB2 HIS 71 2HB HIS 71 -9.408 -27.016 -12.979 565 HB3 HIS 71 3HB HIS 71 -10.480 -25.644 -13.223 566 HD1 HIS 71 HD1 HIS 71 -8.964 -28.547 -15.079 567 HD2 HIS 71 HD2 HIS 71 -11.915 -25.671 -15.593 568 HE1 HIS 71 HE1 HIS 71 -10.255 -29.270 -17.106 569 HE2 HIS 71 HE2 HIS 71 -12.116 -27.593 -17.315 Start of MODEL 14 1 H1 MET 1 1H MET 1 -34.210 -23.236 -0.536 2 H2 MET 1 2H MET 1 -35.267 -23.253 -1.852 3 H3 MET 1 3H MET 1 -34.821 -21.784 -1.152 4 HA MET 1 HA MET 1 -33.020 -23.641 -2.597 5 HB2 MET 1 2HB MET 1 -34.044 -20.890 -3.349 6 HB3 MET 1 3HB MET 1 -32.866 -21.818 -4.263 7 HG2 MET 1 2HG MET 1 -34.576 -23.569 -4.619 8 HG3 MET 1 3HG MET 1 -35.750 -22.548 -3.787 9 HE1 MET 1 3HE MET 1 -36.912 -22.257 -7.514 10 HE2 MET 1 1HE MET 1 -37.399 -22.629 -5.862 11 HE3 MET 1 2HE MET 1 -36.271 -23.688 -6.706 12 HA PRO 2 HA PRO 2 -30.304 -21.533 0.431 13 HB2 PRO 2 2HB PRO 2 -28.374 -23.522 -0.638 14 HB3 PRO 2 3HB PRO 2 -28.828 -23.179 1.034 15 HG2 PRO 2 2HG PRO 2 -29.668 -25.401 -0.185 16 HG3 PRO 2 3HG PRO 2 -30.729 -24.515 0.929 17 HD2 PRO 2 2HD PRO 2 -30.723 -24.529 -2.076 18 HD3 PRO 2 3HD PRO 2 -32.100 -24.572 -0.949 19 H THR 3 H THR 3 -29.889 -19.558 -0.509 20 HA THR 3 HA THR 3 -28.262 -19.354 -2.918 21 HB THR 3 HB THR 3 -28.585 -16.935 -2.725 22 HG1 THR 3 HG1 THR 3 -30.301 -16.584 -0.819 23 HG21 THR 3 3HG2 THR 3 -30.358 -18.276 -3.784 24 HG22 THR 3 1HG2 THR 3 -31.016 -16.853 -2.975 25 HG23 THR 3 2HG2 THR 3 -31.160 -18.441 -2.222 26 H LYS 4 H LYS 4 -26.154 -18.594 -3.023 27 HA LYS 4 HA LYS 4 -24.804 -17.780 -0.573 28 HB2 LYS 4 2HB LYS 4 -22.973 -19.426 -0.854 29 HB3 LYS 4 3HB LYS 4 -24.511 -20.172 -0.462 30 HG2 LYS 4 2HG LYS 4 -23.464 -20.002 -3.282 31 HG3 LYS 4 3HG LYS 4 -23.089 -21.341 -2.196 32 HD2 LYS 4 2HD LYS 4 -25.484 -21.830 -1.972 33 HD3 LYS 4 3HD LYS 4 -25.861 -20.486 -3.050 34 HE2 LYS 4 2HE LYS 4 -24.674 -21.588 -4.871 35 HE3 LYS 4 3HE LYS 4 -24.221 -22.912 -3.795 36 HZ1 LYS 4 3HZ LYS 4 -26.560 -23.459 -3.541 37 HZ2 LYS 4 1HZ LYS 4 -26.113 -23.491 -5.173 38 HZ3 LYS 4 2HZ LYS 4 -26.995 -22.186 -4.563 39 HA PRO 5 HA PRO 5 -22.850 -15.365 -3.880 40 HB2 PRO 5 2HB PRO 5 -22.483 -13.119 -2.488 41 HB3 PRO 5 3HB PRO 5 -24.103 -13.607 -3.003 42 HG2 PRO 5 2HG PRO 5 -22.814 -13.877 -0.309 43 HG3 PRO 5 3HG PRO 5 -24.474 -13.402 -0.710 44 HD2 PRO 5 2HD PRO 5 -23.684 -15.961 0.059 45 HD3 PRO 5 3HD PRO 5 -25.184 -15.576 -0.809 46 HA PRO 6 HA PRO 6 -18.517 -16.147 -3.044 47 HB2 PRO 6 2HB PRO 6 -18.061 -13.560 -4.468 48 HB3 PRO 6 3HB PRO 6 -17.360 -15.154 -4.777 49 HG2 PRO 6 2HG PRO 6 -19.261 -14.192 -6.371 50 HG3 PRO 6 3HG PRO 6 -19.251 -15.908 -5.915 51 HD2 PRO 6 2HD PRO 6 -20.969 -13.678 -4.881 52 HD3 PRO 6 3HD PRO 6 -21.399 -15.368 -5.231 53 H TYR 7 H TYR 7 -16.774 -15.409 -1.756 54 HA TYR 7 HA TYR 7 -17.474 -13.866 0.482 55 HB2 TYR 7 2HB TYR 7 -15.171 -14.133 1.200 56 HB3 TYR 7 3HB TYR 7 -15.744 -15.638 0.494 57 HD1 TYR 7 HD2 TYR 7 -14.982 -16.265 -1.838 58 HD2 TYR 7 HD1 TYR 7 -13.281 -12.999 0.307 59 HE1 TYR 7 HE2 TYR 7 -13.042 -16.284 -3.350 60 HE2 TYR 7 HE1 TYR 7 -11.345 -13.012 -1.201 61 HH TYR 7 HH TYR 7 -11.294 -14.827 -4.117 62 HA PRO 8 HA PRO 8 -16.507 -9.723 -1.006 63 HB2 PRO 8 2HB PRO 8 -16.896 -8.417 1.339 64 HB3 PRO 8 3HB PRO 8 -18.232 -8.997 0.337 65 HG2 PRO 8 2HG PRO 8 -17.044 -10.208 2.800 66 HG3 PRO 8 3HG PRO 8 -18.746 -10.078 2.324 67 HD2 PRO 8 2HD PRO 8 -17.260 -12.358 2.041 68 HD3 PRO 8 3HD PRO 8 -18.649 -11.957 1.013 69 H ARG 9 H ARG 9 -14.440 -9.215 -1.410 70 HA ARG 9 HA ARG 9 -12.302 -9.992 0.355 71 HB2 ARG 9 2HB ARG 9 -10.826 -9.240 -1.399 72 HB3 ARG 9 3HB ARG 9 -12.159 -10.127 -2.127 73 HG2 ARG 9 2HG ARG 9 -13.256 -7.933 -2.622 74 HG3 ARG 9 3HG ARG 9 -11.790 -7.133 -2.055 75 HD2 ARG 9 2HD ARG 9 -11.741 -7.291 -4.467 76 HD3 ARG 9 3HD ARG 9 -10.503 -8.350 -3.789 77 HE ARG 9 HE ARG 9 -11.787 -10.217 -4.409 78 HH11 ARG 9 1HH1 ARG 9 -13.230 -7.256 -5.391 79 HH12 ARG 9 2HH1 ARG 9 -14.349 -8.028 -6.457 80 HH21 ARG 9 1HH2 ARG 9 -13.227 -11.198 -5.777 81 HH22 ARG 9 2HH2 ARG 9 -14.350 -10.235 -6.671 82 H GLU 10 H GLU 10 -10.720 -8.637 1.304 83 HA GLU 10 HA GLU 10 -11.261 -5.742 1.321 84 HB2 GLU 10 2HB GLU 10 -10.755 -5.561 3.661 85 HB3 GLU 10 3HB GLU 10 -12.017 -6.768 3.469 86 HG2 GLU 10 2HG GLU 10 -10.425 -8.555 3.785 87 HG3 GLU 10 3HG GLU 10 -9.089 -7.404 3.831 88 H ALA 11 H ALA 11 -9.309 -4.467 2.041 89 HA ALA 11 HA ALA 11 -6.782 -5.784 1.224 90 HB1 ALA 11 3HB ALA 11 -7.644 -2.959 0.584 91 HB2 ALA 11 1HB ALA 11 -7.583 -4.307 -0.551 92 HB3 ALA 11 2HB ALA 11 -6.094 -3.687 0.159 93 H TYR 12 H TYR 12 -4.808 -4.408 1.946 94 HA TYR 12 HA TYR 12 -5.269 -2.916 4.416 95 HB2 TYR 12 2HB TYR 12 -3.548 -4.295 5.642 96 HB3 TYR 12 3HB TYR 12 -5.065 -5.125 5.318 97 HD1 TYR 12 HD2 TYR 12 -1.498 -4.924 4.402 98 HD2 TYR 12 HD1 TYR 12 -5.157 -7.035 3.855 99 HE1 TYR 12 HE2 TYR 12 -0.270 -6.767 3.332 100 HE2 TYR 12 HE1 TYR 12 -3.938 -8.880 2.786 101 HH TYR 12 HH TYR 12 -1.827 -9.255 1.600 102 H ILE 13 H ILE 13 -3.368 -1.783 5.204 103 HA ILE 13 HA ILE 13 -1.642 -0.948 2.970 104 HB ILE 13 HB ILE 13 -2.153 0.447 5.611 105 HG12 ILE 13 2HG1 ILE 13 -3.307 1.040 2.866 106 HG13 ILE 13 3HG1 ILE 13 -4.187 0.280 4.188 107 HG21 ILE 13 1HG2 ILE 13 -0.795 1.429 3.094 108 HG22 ILE 13 2HG2 ILE 13 -0.004 1.055 4.624 109 HG23 ILE 13 3HG2 ILE 13 -1.136 2.402 4.523 110 HD11 ILE 13 3HD1 ILE 13 -3.048 3.069 4.205 111 HD12 ILE 13 1HD1 ILE 13 -3.946 2.308 5.519 112 HD13 ILE 13 2HD1 ILE 13 -4.744 2.632 3.979 113 H VAL 14 H VAL 14 0.540 -1.108 3.024 114 HA VAL 14 HA VAL 14 1.845 -2.159 5.463 115 HB VAL 14 HB VAL 14 2.699 -2.563 2.578 116 HG11 VAL 14 1HG1 VAL 14 3.832 -3.726 5.131 117 HG12 VAL 14 2HG1 VAL 14 4.603 -2.517 4.104 118 HG13 VAL 14 3HG1 VAL 14 4.338 -4.149 3.493 119 HG21 VAL 14 3HG2 VAL 14 0.661 -3.819 3.107 120 HG22 VAL 14 1HG2 VAL 14 1.459 -4.539 4.508 121 HG23 VAL 14 2HG2 VAL 14 2.036 -4.901 2.878 122 H THR 15 H THR 15 3.406 -0.885 6.348 123 HA THR 15 HA THR 15 4.159 1.568 4.929 124 HB THR 15 HB THR 15 5.068 2.318 7.124 125 HG1 THR 15 HG1 THR 15 4.255 0.907 8.950 126 HG21 THR 15 3HG2 THR 15 2.915 2.626 8.224 127 HG22 THR 15 1HG2 THR 15 2.211 1.329 7.257 128 HG23 THR 15 2HG2 THR 15 2.741 2.821 6.480 129 H ILE 16 H ILE 16 5.977 1.553 3.767 130 HA ILE 16 HA ILE 16 8.326 0.044 4.766 131 HB ILE 16 HB ILE 16 9.042 -0.366 2.496 132 HG12 ILE 16 2HG1 ILE 16 6.531 1.050 1.541 133 HG13 ILE 16 3HG1 ILE 16 8.131 1.786 1.554 134 HG21 ILE 16 1HG2 ILE 16 7.241 -1.840 1.689 135 HG22 ILE 16 2HG2 ILE 16 6.122 -1.080 2.821 136 HG23 ILE 16 3HG2 ILE 16 7.499 -2.000 3.427 137 HD11 ILE 16 3HD1 ILE 16 7.337 -0.661 -0.006 138 HD12 ILE 16 1HD1 ILE 16 8.927 0.101 -0.010 139 HD13 ILE 16 2HD1 ILE 16 7.534 0.969 -0.652 140 H GLU 17 H GLU 17 10.423 0.915 3.746 141 HA GLU 17 HA GLU 17 10.328 3.853 3.476 142 HB2 GLU 17 2HB GLU 17 12.542 2.357 4.890 143 HB3 GLU 17 3HB GLU 17 12.308 4.095 4.807 144 HG2 GLU 17 2HG GLU 17 11.471 3.799 6.875 145 HG3 GLU 17 3HG GLU 17 9.999 3.404 5.995 146 H LYS 18 H LYS 18 11.868 4.790 2.089 147 HA LYS 18 HA LYS 18 13.583 2.955 0.537 148 HB2 LYS 18 2HB LYS 18 11.854 5.137 -0.665 149 HB3 LYS 18 3HB LYS 18 12.989 4.121 -1.546 150 HG2 LYS 18 2HG LYS 18 11.645 2.142 -0.964 151 HG3 LYS 18 3HG LYS 18 10.497 3.188 -0.125 152 HD2 LYS 18 2HD LYS 18 10.100 4.386 -2.267 153 HD3 LYS 18 3HD LYS 18 11.159 3.230 -3.077 154 HE2 LYS 18 2HE LYS 18 9.656 1.404 -2.368 155 HE3 LYS 18 3HE LYS 18 8.589 2.596 -1.625 156 HZ1 LYS 18 3HZ LYS 18 9.250 2.409 -4.512 157 HZ2 LYS 18 1HZ LYS 18 8.259 3.588 -3.816 158 HZ3 LYS 18 2HZ LYS 18 7.786 1.966 -3.798 159 H GLY 19 H GLY 19 15.260 4.166 -0.773 160 HA2 GLY 19 2HA GLY 19 16.575 6.126 -1.151 161 HA3 GLY 19 3HA GLY 19 15.959 6.802 0.345 162 H LYS 20 H LYS 20 17.887 7.262 1.334 163 HA LYS 20 HA LYS 20 20.058 5.347 1.404 164 HB2 LYS 20 2HB LYS 20 19.748 7.979 2.877 165 HB3 LYS 20 3HB LYS 20 21.230 7.041 2.745 166 HG2 LYS 20 2HG LYS 20 19.758 8.352 0.463 167 HG3 LYS 20 3HG LYS 20 21.233 8.944 1.228 168 HD2 LYS 20 2HD LYS 20 22.396 6.881 0.520 169 HD3 LYS 20 3HD LYS 20 20.921 6.346 -0.290 170 HE2 LYS 20 2HE LYS 20 22.531 8.819 -0.943 171 HE3 LYS 20 3HE LYS 20 22.454 7.339 -1.896 172 HZ1 LYS 20 3HZ LYS 20 21.024 9.058 -2.803 173 HZ2 LYS 20 1HZ LYS 20 20.168 9.159 -1.351 174 HZ3 LYS 20 2HZ LYS 20 20.104 7.747 -2.274 175 HA PRO 21 HA PRO 21 19.005 3.132 5.156 176 HB2 PRO 21 2HB PRO 21 21.933 3.369 5.725 177 HB3 PRO 21 3HB PRO 21 20.898 1.936 5.729 178 HG2 PRO 21 2HG PRO 21 22.572 2.375 3.712 179 HG3 PRO 21 3HG PRO 21 20.947 1.731 3.409 180 HD2 PRO 21 2HD PRO 21 21.997 4.507 3.000 181 HD3 PRO 21 3HD PRO 21 20.850 3.575 2.012 182 H GLY 22 H GLY 22 18.042 4.168 6.814 183 HA2 GLY 22 2HA GLY 22 18.048 5.386 8.856 184 HA3 GLY 22 3HA GLY 22 19.531 6.184 8.353 185 H GLN 23 H GLN 23 19.242 7.588 6.316 186 HA GLN 23 HA GLN 23 17.039 9.406 6.751 187 HB2 GLN 23 2HB GLN 23 19.241 9.470 4.671 188 HB3 GLN 23 3HB GLN 23 18.096 10.769 4.983 189 HG2 GLN 23 2HG GLN 23 20.125 9.706 6.946 190 HG3 GLN 23 3HG GLN 23 20.279 11.190 6.007 191 HE21 GLN 23 1HE2 GLN 23 18.979 12.972 6.554 192 HE22 GLN 23 2HE2 GLN 23 18.180 13.075 8.083 193 H THR 24 H THR 24 15.367 7.858 6.232 194 HA THR 24 HA THR 24 15.131 7.124 3.382 195 HB THR 24 HB THR 24 13.567 5.373 4.096 196 HG1 THR 24 HG1 THR 24 14.018 5.344 6.738 197 HG21 THR 24 3HG2 THR 24 15.954 4.821 3.998 198 HG22 THR 24 1HG2 THR 24 15.150 3.925 5.287 199 HG23 THR 24 2HG2 THR 24 16.148 5.325 5.678 200 H VAL 25 H VAL 25 13.005 7.083 2.423 201 HA VAL 25 HA VAL 25 11.078 9.016 3.558 202 HB VAL 25 HB VAL 25 11.284 8.008 0.705 203 HG11 VAL 25 1HG1 VAL 25 9.692 9.800 0.166 204 HG12 VAL 25 2HG1 VAL 25 9.571 10.204 1.879 205 HG13 VAL 25 3HG1 VAL 25 9.004 8.638 1.300 206 HG21 VAL 25 3HG2 VAL 25 13.200 9.403 1.281 207 HG22 VAL 25 1HG2 VAL 25 12.119 10.674 1.858 208 HG23 VAL 25 2HG2 VAL 25 12.137 10.239 0.147 209 H THR 26 H THR 26 9.139 8.261 4.255 210 HA THR 26 HA THR 26 8.691 5.401 4.242 211 HB THR 26 HB THR 26 7.000 7.591 5.472 212 HG1 THR 26 HG1 THR 26 8.813 7.677 6.637 213 HG21 THR 26 3HG2 THR 26 6.080 5.792 6.877 214 HG22 THR 26 1HG2 THR 26 7.031 4.606 5.984 215 HG23 THR 26 2HG2 THR 26 5.748 5.501 5.170 216 H TRP 27 H TRP 27 7.595 4.361 2.732 217 HA TRP 27 HA TRP 27 5.476 5.753 1.214 218 HB2 TRP 27 2HB TRP 27 7.334 3.495 0.477 219 HB3 TRP 27 3HB TRP 27 5.848 3.785 -0.423 220 HD1 TRP 27 HD1 TRP 27 9.263 5.413 0.308 221 HE1 TRP 27 HE1 TRP 27 9.730 7.161 -1.526 222 HE3 TRP 27 HE3 TRP 27 4.753 5.288 -2.104 223 HZ2 TRP 27 HZ2 TRP 27 8.360 8.344 -3.694 224 HZ3 TRP 27 HZ3 TRP 27 4.413 6.762 -4.046 225 HH2 TRP 27 HH2 TRP 27 6.180 8.255 -4.824 226 H TYR 28 H TYR 28 3.496 4.705 0.826 227 HA TYR 28 HA TYR 28 2.891 2.487 2.681 228 HB2 TYR 28 2HB TYR 28 1.058 4.602 1.514 229 HB3 TYR 28 3HB TYR 28 0.532 3.279 2.550 230 HD1 TYR 28 HD2 TYR 28 2.578 6.370 2.454 231 HD2 TYR 28 HD1 TYR 28 0.772 3.408 4.923 232 HE1 TYR 28 HE2 TYR 28 3.051 7.741 4.442 233 HE2 TYR 28 HE1 TYR 28 1.244 4.770 6.910 234 HH TYR 28 HH TYR 28 2.766 6.525 7.626 235 H GLN 29 H GLN 29 2.773 0.574 1.690 236 HA GLN 29 HA GLN 29 1.944 0.377 -1.111 237 HB2 GLN 29 2HB GLN 29 3.073 -1.707 0.772 238 HB3 GLN 29 3HB GLN 29 2.662 -1.995 -0.912 239 HG2 GLN 29 2HG GLN 29 4.328 -0.173 -1.485 240 HG3 GLN 29 3HG GLN 29 4.853 -0.263 0.197 241 HE21 GLN 29 1HE2 GLN 29 6.304 -0.871 -2.241 242 HE22 GLN 29 2HE2 GLN 29 6.835 -2.506 -2.087 243 H LEU 30 H LEU 30 -0.125 -0.034 -1.587 244 HA LEU 30 HA LEU 30 -1.935 -1.217 0.343 245 HB2 LEU 30 2HB LEU 30 -2.723 0.557 -1.145 246 HB3 LEU 30 3HB LEU 30 -2.341 -0.427 -2.548 247 HG LEU 30 HG LEU 30 -4.054 -2.072 -1.844 248 HD11 LEU 30 1HD1 LEU 30 -3.996 -1.650 0.566 249 HD12 LEU 30 2HD1 LEU 30 -5.634 -1.512 -0.069 250 HD13 LEU 30 3HD1 LEU 30 -4.711 -0.057 0.307 251 HD21 LEU 30 3HD2 LEU 30 -5.073 0.758 -2.107 252 HD22 LEU 30 1HD2 LEU 30 -6.005 -0.710 -2.408 253 HD23 LEU 30 2HD2 LEU 30 -4.627 -0.314 -3.435 254 H ARG 31 H ARG 31 -1.823 -3.369 0.687 255 HA ARG 31 HA ARG 31 -1.479 -5.145 -1.655 256 HB2 ARG 31 2HB ARG 31 -0.375 -5.519 1.137 257 HB3 ARG 31 3HB ARG 31 -0.350 -6.758 -0.109 258 HG2 ARG 31 2HG ARG 31 1.021 -5.207 -1.521 259 HG3 ARG 31 3HG ARG 31 1.104 -4.114 -0.135 260 HD2 ARG 31 2HD ARG 31 2.151 -5.891 1.196 261 HD3 ARG 31 3HD ARG 31 2.068 -6.978 -0.188 262 HE ARG 31 HE ARG 31 3.654 -4.488 -0.231 263 HH11 ARG 31 1HH1 ARG 31 3.335 -7.868 -0.827 264 HH12 ARG 31 2HH1 ARG 31 4.926 -8.023 -1.483 265 HH21 ARG 31 1HH2 ARG 31 5.696 -4.688 -1.029 266 HH22 ARG 31 2HH2 ARG 31 6.270 -6.230 -1.568 267 H ALA 32 H ALA 32 -2.359 -7.298 -1.428 268 HA ALA 32 HA ALA 32 -4.411 -7.687 0.642 269 HB1 ALA 32 3HB ALA 32 -5.563 -6.754 -1.321 270 HB2 ALA 32 1HB ALA 32 -6.047 -8.424 -1.018 271 HB3 ALA 32 2HB ALA 32 -4.915 -8.056 -2.319 272 H ASP 33 H ASP 33 -5.358 -10.073 0.237 273 HA ASP 33 HA ASP 33 -3.040 -11.854 -0.130 274 HB2 ASP 33 2HB ASP 33 -5.689 -12.313 1.262 275 HB3 ASP 33 3HB ASP 33 -4.446 -13.547 1.064 276 H HIS 34 H HIS 34 -5.505 -10.695 -1.935 277 HA HIS 34 HA HIS 34 -5.743 -13.182 -3.515 278 HB2 HIS 34 2HB HIS 34 -7.860 -11.041 -3.160 279 HB3 HIS 34 3HB HIS 34 -8.013 -12.487 -4.153 280 HD1 HIS 34 HD1 HIS 34 -8.054 -14.802 -2.821 281 HD2 HIS 34 HD2 HIS 34 -8.512 -11.382 -0.508 282 HE1 HIS 34 HE1 HIS 34 -8.926 -15.599 -0.614 283 HE2 HIS 34 HE2 HIS 34 -9.387 -13.505 0.688 284 HA PRO 35 HA PRO 35 -5.896 -13.975 -5.365 285 HB2 PRO 35 2HB PRO 35 -4.322 -14.676 -7.432 286 HB3 PRO 35 3HB PRO 35 -5.885 -13.889 -7.684 287 HG2 PRO 35 2HG PRO 35 -3.135 -12.689 -7.721 288 HG3 PRO 35 3HG PRO 35 -4.483 -12.424 -8.843 289 HD2 PRO 35 2HD PRO 35 -3.862 -10.711 -6.798 290 HD3 PRO 35 3HD PRO 35 -5.500 -10.898 -7.453 291 H LYS 36 H LYS 36 -2.953 -12.226 -4.940 292 HA LYS 36 HA LYS 36 -1.661 -14.589 -3.713 293 HB2 LYS 36 2HB LYS 36 -0.277 -12.404 -5.302 294 HB3 LYS 36 3HB LYS 36 0.525 -13.740 -4.489 295 HG2 LYS 36 2HG LYS 36 -1.412 -14.006 -6.789 296 HG3 LYS 36 3HG LYS 36 0.347 -14.088 -6.911 297 HD2 LYS 36 2HD LYS 36 -1.396 -15.976 -5.315 298 HD3 LYS 36 3HD LYS 36 -0.692 -16.320 -6.895 299 HE2 LYS 36 2HE LYS 36 1.556 -16.093 -5.950 300 HE3 LYS 36 3HE LYS 36 0.860 -15.734 -4.368 301 HZ1 LYS 36 3HZ LYS 36 1.542 -18.045 -4.557 302 HZ2 LYS 36 1HZ LYS 36 0.502 -18.267 -5.872 303 HZ3 LYS 36 2HZ LYS 36 -0.131 -17.926 -4.340 304 HA PRO 37 HA PRO 37 -1.223 -12.029 -0.020 305 HB2 PRO 37 2HB PRO 37 1.401 -13.446 0.209 306 HB3 PRO 37 3HB PRO 37 0.126 -13.229 1.416 307 HG2 PRO 37 2HG PRO 37 0.422 -15.573 0.203 308 HG3 PRO 37 3HG PRO 37 -1.201 -14.922 0.511 309 HD2 PRO 37 2HD PRO 37 0.356 -15.000 -2.053 310 HD3 PRO 37 3HD PRO 37 -1.381 -15.254 -1.780 311 H ASP 38 H ASP 38 1.391 -12.326 -2.402 312 HA ASP 38 HA ASP 38 2.623 -9.818 -1.559 313 HB2 ASP 38 2HB ASP 38 3.976 -11.788 -2.332 314 HB3 ASP 38 3HB ASP 38 3.299 -11.571 -3.942 315 H SER 39 H SER 39 -0.180 -10.108 -2.877 316 HA SER 39 HA SER 39 -0.039 -8.857 -5.422 317 HB2 SER 39 2HB SER 39 -2.464 -8.461 -5.179 318 HB3 SER 39 3HB SER 39 -2.032 -10.116 -4.750 319 HG SER 39 HG SER 39 -2.334 -9.658 -2.626 320 H LEU 40 H LEU 40 1.194 -7.026 -5.405 321 HA LEU 40 HA LEU 40 0.542 -4.823 -3.625 322 HB2 LEU 40 2HB LEU 40 2.881 -5.232 -4.185 323 HB3 LEU 40 3HB LEU 40 2.530 -5.052 -5.894 324 HG LEU 40 HG LEU 40 1.991 -2.678 -5.547 325 HD11 LEU 40 1HD1 LEU 40 2.748 -3.197 -2.669 326 HD12 LEU 40 2HD1 LEU 40 1.150 -2.758 -3.275 327 HD13 LEU 40 3HD1 LEU 40 2.480 -1.607 -3.383 328 HD21 LEU 40 3HD2 LEU 40 4.274 -3.292 -6.125 329 HD22 LEU 40 1HD2 LEU 40 4.672 -3.491 -4.417 330 HD23 LEU 40 2HD2 LEU 40 4.264 -1.895 -5.048 331 H ILE 41 H ILE 41 -1.306 -3.768 -4.090 332 HA ILE 41 HA ILE 41 -2.363 -3.497 -6.738 333 HB ILE 41 HB ILE 41 -3.149 -1.979 -4.236 334 HG12 ILE 41 2HG1 ILE 41 -3.320 -4.389 -3.859 335 HG13 ILE 41 3HG1 ILE 41 -4.926 -3.681 -3.983 336 HG21 ILE 41 1HG2 ILE 41 -3.990 -0.915 -6.244 337 HG22 ILE 41 2HG2 ILE 41 -5.317 -1.691 -5.384 338 HG23 ILE 41 3HG2 ILE 41 -4.638 -2.448 -6.824 339 HD11 ILE 41 3HD1 ILE 41 -5.088 -4.486 -6.290 340 HD12 ILE 41 1HD1 ILE 41 -4.821 -5.798 -5.140 341 HD13 ILE 41 2HD1 ILE 41 -3.487 -5.217 -6.137 342 H SER 42 H SER 42 -0.976 -1.138 -4.432 343 HA SER 42 HA SER 42 0.298 0.384 -6.508 344 HB2 SER 42 2HB SER 42 -2.109 1.607 -5.117 345 HB3 SER 42 3HB SER 42 -0.942 2.517 -6.080 346 HG SER 42 HG SER 42 -1.674 0.566 -7.625 347 H GLU 43 H GLU 43 1.773 1.905 -5.729 348 HA GLU 43 HA GLU 43 2.158 1.971 -2.799 349 HB2 GLU 43 2HB GLU 43 4.114 2.508 -5.054 350 HB3 GLU 43 3HB GLU 43 4.492 2.661 -3.344 351 HG2 GLU 43 2HG GLU 43 4.104 0.291 -3.013 352 HG3 GLU 43 3HG GLU 43 3.638 0.112 -4.704 353 H HIS 44 H HIS 44 1.609 3.827 -1.796 354 HA HIS 44 HA HIS 44 1.689 6.345 -3.339 355 HB2 HIS 44 2HB HIS 44 -0.536 5.349 -1.554 356 HB3 HIS 44 3HB HIS 44 -0.395 7.025 -2.070 357 HD1 HIS 44 HD1 HIS 44 -2.702 4.881 -2.829 358 HD2 HIS 44 HD2 HIS 44 0.364 6.277 -5.266 359 HE1 HIS 44 HE1 HIS 44 -3.514 4.566 -5.179 360 HE2 HIS 44 HE2 HIS 44 -1.741 5.619 -6.616 361 HA PRO 45 HA PRO 45 3.959 8.041 0.025 362 HB2 PRO 45 2HB PRO 45 3.410 10.683 -0.194 363 HB3 PRO 45 3HB PRO 45 4.365 9.807 -1.397 364 HG2 PRO 45 2HG PRO 45 1.455 10.543 -1.469 365 HG3 PRO 45 3HG PRO 45 2.679 10.700 -2.745 366 HD2 PRO 45 2HD PRO 45 0.918 8.640 -2.671 367 HD3 PRO 45 3HD PRO 45 2.564 8.462 -3.310 368 H THR 46 H THR 46 0.505 8.891 0.006 369 HA THR 46 HA THR 46 0.667 9.402 2.917 370 HB THR 46 HB THR 46 -1.295 10.816 2.752 371 HG1 THR 46 HG1 THR 46 -1.826 11.271 0.309 372 HG21 THR 46 3HG2 THR 46 0.711 11.544 0.606 373 HG22 THR 46 1HG2 THR 46 0.867 11.894 2.330 374 HG23 THR 46 2HG2 THR 46 -0.416 12.655 1.388 375 H ALA 47 H ALA 47 -0.965 8.597 4.274 376 HA ALA 47 HA ALA 47 -2.043 6.063 3.692 377 HB1 ALA 47 3HB ALA 47 -3.282 6.298 5.790 378 HB2 ALA 47 1HB ALA 47 -2.931 8.026 5.817 379 HB3 ALA 47 2HB ALA 47 -1.620 6.856 5.983 380 H GLN 48 H GLN 48 -3.345 9.303 3.283 381 HA GLN 48 HA GLN 48 -6.036 8.718 2.780 382 HB2 GLN 48 2HB GLN 48 -5.253 11.001 3.038 383 HB3 GLN 48 3HB GLN 48 -4.249 10.863 1.602 384 HG2 GLN 48 2HG GLN 48 -6.253 12.168 1.162 385 HG3 GLN 48 3HG GLN 48 -6.243 10.688 0.204 386 HE21 GLN 48 1HE2 GLN 48 -7.774 9.095 0.640 387 HE22 GLN 48 2HE2 GLN 48 -9.141 9.381 1.653 388 H GLU 49 H GLU 49 -3.337 8.968 0.444 389 HA GLU 49 HA GLU 49 -4.803 8.202 -1.838 390 HB2 GLU 49 2HB GLU 49 -1.852 7.874 -1.254 391 HB3 GLU 49 3HB GLU 49 -2.584 7.709 -2.843 392 HG2 GLU 49 2HG GLU 49 -2.520 10.220 -1.176 393 HG3 GLU 49 3HG GLU 49 -1.490 9.867 -2.564 394 H ALA 50 H ALA 50 -3.218 6.305 0.657 395 HA ALA 50 HA ALA 50 -3.395 3.783 -0.696 396 HB1 ALA 50 3HB ALA 50 -1.745 4.155 1.062 397 HB2 ALA 50 1HB ALA 50 -2.811 2.813 1.487 398 HB3 ALA 50 2HB ALA 50 -3.033 4.394 2.244 399 H MET 51 H MET 51 -5.334 5.342 1.850 400 HA MET 51 HA MET 51 -7.169 3.234 2.219 401 HB2 MET 51 2HB MET 51 -7.308 6.182 2.842 402 HB3 MET 51 3HB MET 51 -8.619 5.080 3.238 403 HG2 MET 51 2HG MET 51 -5.786 4.848 4.232 404 HG3 MET 51 3HG MET 51 -7.146 5.497 5.146 405 HE1 MET 51 3HE MET 51 -9.434 2.319 5.512 406 HE2 MET 51 1HE MET 51 -9.505 3.551 4.253 407 HE3 MET 51 2HE MET 51 -9.242 4.015 5.937 408 H ASP 52 H ASP 52 -7.336 6.139 0.166 409 HA ASP 52 HA ASP 52 -9.985 5.842 -0.690 410 HB2 ASP 52 2HB ASP 52 -8.510 7.854 -1.024 411 HB3 ASP 52 3HB ASP 52 -7.710 6.984 -2.329 412 H ALA 53 H ALA 53 -6.983 4.738 -2.307 413 HA ALA 53 HA ALA 53 -8.274 3.281 -4.364 414 HB1 ALA 53 3HB ALA 53 -5.514 2.893 -3.193 415 HB2 ALA 53 1HB ALA 53 -5.936 3.964 -4.530 416 HB3 ALA 53 2HB ALA 53 -6.088 2.216 -4.718 417 H LYS 54 H LYS 54 -7.211 2.394 -1.127 418 HA LYS 54 HA LYS 54 -7.541 -0.358 -1.136 419 HB2 LYS 54 2HB LYS 54 -6.543 0.678 0.735 420 HB3 LYS 54 3HB LYS 54 -7.902 1.754 0.980 421 HG2 LYS 54 2HG LYS 54 -9.240 -0.034 1.867 422 HG3 LYS 54 3HG LYS 54 -7.997 -1.223 1.458 423 HD2 LYS 54 2HD LYS 54 -6.555 -0.489 3.132 424 HD3 LYS 54 3HD LYS 54 -7.302 1.103 3.221 425 HE2 LYS 54 2HE LYS 54 -7.810 -0.187 5.214 426 HE3 LYS 54 3HE LYS 54 -9.271 0.117 4.289 427 HZ1 LYS 54 3HZ LYS 54 -9.143 -2.128 3.417 428 HZ2 LYS 54 1HZ LYS 54 -9.202 -2.141 5.107 429 HZ3 LYS 54 2HZ LYS 54 -7.741 -2.416 4.312 430 H LYS 55 H LYS 55 -9.994 2.120 -0.389 431 HA LYS 55 HA LYS 55 -12.123 0.301 0.024 432 HB2 LYS 55 2HB LYS 55 -12.185 3.220 -0.766 433 HB3 LYS 55 3HB LYS 55 -13.573 2.300 -0.196 434 HG2 LYS 55 2HG LYS 55 -12.533 1.968 1.953 435 HG3 LYS 55 3HG LYS 55 -11.050 2.743 1.394 436 HD2 LYS 55 2HD LYS 55 -12.260 4.852 1.094 437 HD3 LYS 55 3HD LYS 55 -13.753 4.076 1.626 438 HE2 LYS 55 2HE LYS 55 -12.791 3.676 3.824 439 HE3 LYS 55 3HE LYS 55 -11.250 4.352 3.295 440 HZ1 LYS 55 3HZ LYS 55 -12.312 6.479 2.986 441 HZ2 LYS 55 1HZ LYS 55 -12.561 5.942 4.569 442 HZ3 LYS 55 2HZ LYS 55 -13.811 5.843 3.434 443 H ARG 56 H ARG 56 -10.798 1.703 -2.905 444 HA ARG 56 HA ARG 56 -13.027 1.056 -4.586 445 HB2 ARG 56 2HB ARG 56 -10.141 1.504 -5.385 446 HB3 ARG 56 3HB ARG 56 -11.532 1.530 -6.461 447 HG2 ARG 56 2HG ARG 56 -12.410 3.483 -5.208 448 HG3 ARG 56 3HG ARG 56 -10.936 3.482 -4.240 449 HD2 ARG 56 2HD ARG 56 -9.641 3.737 -6.378 450 HD3 ARG 56 3HD ARG 56 -11.181 3.955 -7.211 451 HE ARG 56 HE ARG 56 -10.240 5.748 -5.063 452 HH11 ARG 56 1HH1 ARG 56 -11.793 5.253 -8.099 453 HH12 ARG 56 2HH1 ARG 56 -12.008 6.944 -8.374 454 HH21 ARG 56 1HH2 ARG 56 -10.547 7.891 -5.423 455 HH22 ARG 56 2HH2 ARG 56 -11.341 8.417 -6.871 456 H TYR 57 H TYR 57 -10.168 -0.669 -3.513 457 HA TYR 57 HA TYR 57 -10.556 -2.944 -5.235 458 HB2 TYR 57 2HB TYR 57 -8.339 -2.454 -4.351 459 HB3 TYR 57 3HB TYR 57 -8.930 -2.590 -2.699 460 HD1 TYR 57 HD1 TYR 57 -8.184 -4.509 -5.780 461 HD2 TYR 57 HD2 TYR 57 -9.094 -4.716 -1.625 462 HE1 TYR 57 HE1 TYR 57 -7.596 -6.894 -5.774 463 HE2 TYR 57 HE2 TYR 57 -8.506 -7.102 -1.610 464 HH TYR 57 HH TYR 57 -6.867 -8.614 -4.174 465 H GLU 58 H GLU 58 -11.492 -2.061 -1.958 466 HA GLU 58 HA GLU 58 -12.619 -4.623 -1.301 467 HB2 GLU 58 2HB GLU 58 -13.045 -1.949 0.056 468 HB3 GLU 58 3HB GLU 58 -13.386 -3.536 0.737 469 HG2 GLU 58 2HG GLU 58 -11.010 -4.086 0.677 470 HG3 GLU 58 3HG GLU 58 -10.655 -2.514 -0.032 471 H ASP 59 H ASP 59 -13.816 -1.702 -2.796 472 HA ASP 59 HA ASP 59 -16.487 -2.950 -2.995 473 HB2 ASP 59 2HB ASP 59 -16.465 -0.807 -1.710 474 HB3 ASP 59 3HB ASP 59 -15.847 0.009 -3.143 475 HA PRO 60 HA PRO 60 -14.796 -3.181 -7.240 476 HB2 PRO 60 2HB PRO 60 -17.085 -5.017 -7.617 477 HB3 PRO 60 3HB PRO 60 -15.362 -5.298 -7.889 478 HG2 PRO 60 2HG PRO 60 -16.647 -6.423 -5.822 479 HG3 PRO 60 3HG PRO 60 -14.968 -5.867 -5.678 480 HD2 PRO 60 2HD PRO 60 -17.491 -4.533 -4.734 481 HD3 PRO 60 3HD PRO 60 -15.925 -4.698 -3.907 482 H ASP 61 H ASP 61 -15.682 -0.906 -7.298 483 HA ASP 61 HA ASP 61 -18.325 -0.645 -8.496 484 HB2 ASP 61 2HB ASP 61 -17.508 0.950 -6.751 485 HB3 ASP 61 3HB ASP 61 -16.289 1.515 -7.892 486 H LYS 62 H LYS 62 -15.039 0.477 -9.387 487 HA LYS 62 HA LYS 62 -15.801 0.931 -12.113 488 HB2 LYS 62 2HB LYS 62 -14.051 2.269 -11.013 489 HB3 LYS 62 3HB LYS 62 -13.042 0.836 -10.870 490 HG2 LYS 62 2HG LYS 62 -12.852 0.678 -13.281 491 HG3 LYS 62 3HG LYS 62 -13.968 2.030 -13.483 492 HD2 LYS 62 2HD LYS 62 -11.706 2.816 -13.788 493 HD3 LYS 62 3HD LYS 62 -12.355 3.490 -12.292 494 HE2 LYS 62 2HE LYS 62 -11.154 1.781 -11.008 495 HE3 LYS 62 3HE LYS 62 -10.511 1.105 -12.506 496 HZ1 LYS 62 3HZ LYS 62 -9.987 3.835 -11.449 497 HZ2 LYS 62 1HZ LYS 62 -9.405 3.232 -12.920 498 HZ3 LYS 62 2HZ LYS 62 -8.901 2.544 -11.460 499 H GLU 63 H GLU 63 -13.137 -1.162 -10.964 500 HA GLU 63 HA GLU 63 -14.131 -3.506 -12.257 501 HB2 GLU 63 2HB GLU 63 -12.460 -3.734 -14.005 502 HB3 GLU 63 3HB GLU 63 -13.354 -2.239 -14.245 503 HG2 GLU 63 2HG GLU 63 -11.526 -0.942 -13.373 504 HG3 GLU 63 3HG GLU 63 -10.645 -2.403 -12.934 505 H LEU 64 H LEU 64 -11.938 -5.053 -12.533 506 HA LEU 64 HA LEU 64 -10.166 -4.646 -10.258 507 HB2 LEU 64 2HB LEU 64 -10.575 -6.851 -9.290 508 HB3 LEU 64 3HB LEU 64 -12.004 -5.844 -9.230 509 HG LEU 64 HG LEU 64 -11.584 -8.035 -11.284 510 HD11 LEU 64 1HD1 LEU 64 -13.168 -8.120 -8.712 511 HD12 LEU 64 2HD1 LEU 64 -11.665 -8.984 -9.032 512 HD13 LEU 64 3HD1 LEU 64 -13.118 -9.380 -9.946 513 HD21 LEU 64 3HD2 LEU 64 -14.067 -6.506 -10.478 514 HD22 LEU 64 1HD2 LEU 64 -13.987 -7.809 -11.662 515 HD23 LEU 64 2HD2 LEU 64 -13.159 -6.286 -11.973 516 H GLU 65 H GLU 65 -8.299 -4.654 -11.340 517 HA GLU 65 HA GLU 65 -7.714 -6.217 -13.617 518 HB2 GLU 65 2HB GLU 65 -6.554 -4.103 -13.027 519 HB3 GLU 65 3HB GLU 65 -5.766 -4.928 -11.690 520 HG2 GLU 65 2HG GLU 65 -4.613 -6.403 -13.236 521 HG3 GLU 65 3HG GLU 65 -5.453 -5.663 -14.599 522 H HIS 66 H HIS 66 -7.719 -8.372 -13.559 523 HA HIS 66 HA HIS 66 -6.869 -9.745 -11.089 524 HB2 HIS 66 2HB HIS 66 -8.314 -11.622 -11.951 525 HB3 HIS 66 3HB HIS 66 -9.175 -10.133 -11.580 526 HD1 HIS 66 HD1 HIS 66 -10.116 -8.768 -13.597 527 HD2 HIS 66 HD2 HIS 66 -8.373 -12.396 -14.648 528 HE1 HIS 66 HE1 HIS 66 -10.854 -9.211 -15.953 529 HE2 HIS 66 HE2 HIS 66 -9.743 -11.374 -16.596 530 H HIS 67 H HIS 67 -5.427 -11.394 -11.085 531 HA HIS 67 HA HIS 67 -3.617 -12.628 -11.702 532 HB2 HIS 67 2HB HIS 67 -5.402 -14.045 -12.542 533 HB3 HIS 67 3HB HIS 67 -5.425 -13.165 -14.065 534 HD1 HIS 67 HD1 HIS 67 -3.874 -13.961 -15.871 535 HD2 HIS 67 HD2 HIS 67 -3.006 -15.655 -12.173 536 HE1 HIS 67 HE1 HIS 67 -2.155 -15.732 -16.328 537 HE2 HIS 67 HE2 HIS 67 -1.568 -16.673 -14.072 538 H HIS 68 H HIS 68 -1.925 -11.155 -12.014 539 HA HIS 68 HA HIS 68 -0.921 -11.084 -14.704 540 HB2 HIS 68 2HB HIS 68 -0.765 -8.701 -15.022 541 HB3 HIS 68 3HB HIS 68 -2.449 -9.121 -14.737 542 HD1 HIS 68 HD1 HIS 68 0.455 -7.327 -13.194 543 HD2 HIS 68 HD2 HIS 68 -3.569 -8.023 -12.428 544 HE1 HIS 68 HE1 HIS 68 -0.168 -5.724 -11.375 545 HE2 HIS 68 HE2 HIS 68 -2.661 -5.942 -11.192 546 H HIS 69 H HIS 69 1.201 -9.949 -14.855 547 HA HIS 69 HA HIS 69 3.013 -10.969 -13.003 548 HB2 HIS 69 2HB HIS 69 3.529 -10.371 -15.351 549 HB3 HIS 69 3HB HIS 69 3.403 -8.667 -14.934 550 HD1 HIS 69 HD1 HIS 69 5.477 -7.549 -14.077 551 HD2 HIS 69 HD2 HIS 69 5.803 -11.693 -14.097 552 HE1 HIS 69 HE1 HIS 69 7.868 -8.038 -13.517 553 HE2 HIS 69 HE2 HIS 69 8.004 -10.539 -13.370 554 H HIS 70 H HIS 70 4.109 -10.142 -11.245 555 HA HIS 70 HA HIS 70 3.043 -7.836 -9.888 556 HB2 HIS 70 2HB HIS 70 5.497 -9.508 -9.255 557 HB3 HIS 70 3HB HIS 70 4.803 -8.289 -8.195 558 HD1 HIS 70 HD1 HIS 70 3.895 -9.607 -6.285 559 HD2 HIS 70 HD2 HIS 70 2.909 -11.307 -9.950 560 HE1 HIS 70 HE1 HIS 70 2.368 -11.523 -5.751 561 HE2 HIS 70 HE2 HIS 70 2.013 -12.678 -7.952 562 H HIS 71 H HIS 71 3.436 -6.040 -11.224 563 HA HIS 71 HA HIS 71 4.565 -4.236 -12.024 564 HB2 HIS 71 2HB HIS 71 5.551 -4.087 -9.799 565 HB3 HIS 71 3HB HIS 71 6.785 -5.263 -10.233 566 HD1 HIS 71 HD1 HIS 71 8.717 -4.435 -11.775 567 HD2 HIS 71 HD2 HIS 71 6.011 -1.477 -10.682 568 HE1 HIS 71 HE1 HIS 71 9.841 -2.260 -12.322 569 HE2 HIS 71 HE2 HIS 71 8.101 -0.510 -11.856 Start of MODEL 15 1 H1 MET 1 1H MET 1 -32.780 -17.824 -7.164 2 H2 MET 1 2H MET 1 -31.846 -18.798 -6.146 3 H3 MET 1 3H MET 1 -31.111 -17.939 -7.403 4 HA MET 1 HA MET 1 -31.645 -15.850 -6.385 5 HB2 MET 1 2HB MET 1 -32.587 -15.894 -4.033 6 HB3 MET 1 3HB MET 1 -33.708 -16.325 -5.315 7 HG2 MET 1 2HG MET 1 -32.279 -18.254 -3.488 8 HG3 MET 1 3HG MET 1 -33.974 -17.781 -3.387 9 HE1 MET 1 3HE MET 1 -32.953 -20.835 -3.524 10 HE2 MET 1 1HE MET 1 -34.130 -21.521 -4.643 11 HE3 MET 1 2HE MET 1 -34.658 -20.391 -3.397 12 HA PRO 2 HA PRO 2 -27.781 -16.987 -4.195 13 HB2 PRO 2 2HB PRO 2 -26.005 -16.786 -6.166 14 HB3 PRO 2 3HB PRO 2 -27.077 -18.189 -6.074 15 HG2 PRO 2 2HG PRO 2 -27.135 -15.905 -7.966 16 HG3 PRO 2 3HG PRO 2 -27.751 -17.552 -8.175 17 HD2 PRO 2 2HD PRO 2 -29.207 -15.167 -7.365 18 HD3 PRO 2 3HD PRO 2 -29.843 -16.793 -7.703 19 H THR 3 H THR 3 -28.972 -14.485 -3.828 20 HA THR 3 HA THR 3 -27.364 -12.390 -5.018 21 HB THR 3 HB THR 3 -28.773 -10.811 -3.745 22 HG1 THR 3 HG1 THR 3 -29.409 -11.771 -1.905 23 HG21 THR 3 3HG2 THR 3 -30.345 -12.962 -5.178 24 HG22 THR 3 1HG2 THR 3 -29.528 -11.598 -5.942 25 HG23 THR 3 2HG2 THR 3 -30.897 -11.315 -4.867 26 H LYS 4 H LYS 4 -25.589 -13.846 -3.689 27 HA LYS 4 HA LYS 4 -24.047 -11.958 -2.482 28 HB2 LYS 4 2HB LYS 4 -25.786 -12.154 -0.578 29 HB3 LYS 4 3HB LYS 4 -25.050 -13.714 -0.234 30 HG2 LYS 4 2HG LYS 4 -22.915 -12.671 0.197 31 HG3 LYS 4 3HG LYS 4 -23.535 -11.103 -0.311 32 HD2 LYS 4 2HD LYS 4 -23.679 -10.885 1.970 33 HD3 LYS 4 3HD LYS 4 -25.283 -11.514 1.611 34 HE2 LYS 4 2HE LYS 4 -22.929 -13.174 2.519 35 HE3 LYS 4 3HE LYS 4 -24.226 -12.604 3.563 36 HZ1 LYS 4 3HZ LYS 4 -24.590 -14.877 2.907 37 HZ2 LYS 4 1HZ LYS 4 -24.525 -14.464 1.271 38 HZ3 LYS 4 2HZ LYS 4 -25.791 -13.897 2.234 39 HA PRO 5 HA PRO 5 -22.019 -15.866 -3.696 40 HB2 PRO 5 2HB PRO 5 -19.937 -14.777 -5.004 41 HB3 PRO 5 3HB PRO 5 -21.561 -14.806 -5.707 42 HG2 PRO 5 2HG PRO 5 -20.156 -12.564 -4.283 43 HG3 PRO 5 3HG PRO 5 -21.080 -12.513 -5.798 44 HD2 PRO 5 2HD PRO 5 -22.131 -11.775 -3.389 45 HD3 PRO 5 3HD PRO 5 -23.109 -12.457 -4.704 46 HA PRO 6 HA PRO 6 -18.833 -16.262 -0.553 47 HB2 PRO 6 2HB PRO 6 -17.451 -18.147 -2.364 48 HB3 PRO 6 3HB PRO 6 -18.149 -18.430 -0.767 49 HG2 PRO 6 2HG PRO 6 -19.296 -19.406 -2.989 50 HG3 PRO 6 3HG PRO 6 -20.263 -18.839 -1.613 51 HD2 PRO 6 2HD PRO 6 -19.653 -17.441 -4.200 52 HD3 PRO 6 3HD PRO 6 -21.190 -17.549 -3.314 53 H TYR 7 H TYR 7 -16.249 -16.564 -0.613 54 HA TYR 7 HA TYR 7 -14.209 -15.649 -1.011 55 HB2 TYR 7 2HB TYR 7 -14.442 -16.351 -3.329 56 HB3 TYR 7 3HB TYR 7 -15.394 -14.921 -3.705 57 HD1 TYR 7 HD1 TYR 7 -11.996 -16.094 -2.772 58 HD2 TYR 7 HD2 TYR 7 -14.331 -12.859 -4.271 59 HE1 TYR 7 HE1 TYR 7 -9.938 -14.900 -3.403 60 HE2 TYR 7 HE2 TYR 7 -12.281 -11.665 -4.900 61 HH TYR 7 HH TYR 7 -9.324 -13.080 -5.155 62 HA PRO 8 HA PRO 8 -15.480 -11.436 0.234 63 HB2 PRO 8 2HB PRO 8 -14.030 -11.301 2.474 64 HB3 PRO 8 3HB PRO 8 -15.523 -12.251 2.416 65 HG2 PRO 8 2HG PRO 8 -12.676 -13.188 2.195 66 HG3 PRO 8 3HG PRO 8 -14.008 -13.881 3.140 67 HD2 PRO 8 2HD PRO 8 -13.221 -14.825 0.676 68 HD3 PRO 8 3HD PRO 8 -14.862 -15.011 1.332 69 H ARG 9 H ARG 9 -14.150 -9.458 0.585 70 HA ARG 9 HA ARG 9 -11.387 -9.674 -0.404 71 HB2 ARG 9 2HB ARG 9 -11.640 -7.702 -1.792 72 HB3 ARG 9 3HB ARG 9 -12.824 -8.906 -2.271 73 HG2 ARG 9 2HG ARG 9 -13.467 -6.584 -0.455 74 HG3 ARG 9 3HG ARG 9 -13.628 -6.516 -2.207 75 HD2 ARG 9 2HD ARG 9 -15.253 -8.327 -2.155 76 HD3 ARG 9 3HD ARG 9 -15.047 -8.493 -0.411 77 HE ARG 9 HE ARG 9 -15.830 -5.850 -1.113 78 HH11 ARG 9 1HH1 ARG 9 -17.099 -9.043 -0.796 79 HH12 ARG 9 2HH1 ARG 9 -18.674 -8.487 -0.349 80 HH21 ARG 9 1HH2 ARG 9 -17.855 -5.154 -0.600 81 HH22 ARG 9 2HH2 ARG 9 -19.103 -6.302 -0.259 82 H GLU 10 H GLU 10 -9.922 -8.554 0.727 83 HA GLU 10 HA GLU 10 -10.665 -6.243 2.329 84 HB2 GLU 10 2HB GLU 10 -11.108 -8.104 3.857 85 HB3 GLU 10 3HB GLU 10 -9.501 -8.753 3.571 86 HG2 GLU 10 2HG GLU 10 -9.537 -7.647 5.698 87 HG3 GLU 10 3HG GLU 10 -8.531 -6.719 4.591 88 H ALA 11 H ALA 11 -9.214 -4.819 1.571 89 HA ALA 11 HA ALA 11 -6.474 -5.668 0.973 90 HB1 ALA 11 3HB ALA 11 -7.806 -2.991 0.515 91 HB2 ALA 11 1HB ALA 11 -7.656 -4.283 -0.678 92 HB3 ALA 11 2HB ALA 11 -6.212 -3.476 -0.067 93 H TYR 12 H TYR 12 -4.625 -4.535 1.861 94 HA TYR 12 HA TYR 12 -5.136 -2.956 4.285 95 HB2 TYR 12 2HB TYR 12 -3.459 -4.316 5.558 96 HB3 TYR 12 3HB TYR 12 -4.925 -5.201 5.152 97 HD1 TYR 12 HD2 TYR 12 -1.322 -4.869 4.461 98 HD2 TYR 12 HD1 TYR 12 -4.867 -7.064 3.596 99 HE1 TYR 12 HE2 TYR 12 0.032 -6.641 3.425 100 HE2 TYR 12 HE1 TYR 12 -3.519 -8.843 2.564 101 HH TYR 12 HH TYR 12 -1.389 -9.235 1.622 102 H ILE 13 H ILE 13 -3.225 -1.847 5.101 103 HA ILE 13 HA ILE 13 -1.470 -1.009 2.893 104 HB ILE 13 HB ILE 13 -2.006 0.328 5.561 105 HG12 ILE 13 2HG1 ILE 13 -3.032 1.045 2.797 106 HG13 ILE 13 3HG1 ILE 13 -3.982 0.240 4.042 107 HG21 ILE 13 1HG2 ILE 13 -0.544 1.356 3.122 108 HG22 ILE 13 2HG2 ILE 13 0.195 0.903 4.659 109 HG23 ILE 13 3HG2 ILE 13 -0.896 2.286 4.579 110 HD11 ILE 13 3HD1 ILE 13 -3.713 2.221 5.485 111 HD12 ILE 13 1HD1 ILE 13 -4.532 2.581 3.967 112 HD13 ILE 13 2HD1 ILE 13 -2.840 3.026 4.179 113 H VAL 14 H VAL 14 0.727 -1.220 2.969 114 HA VAL 14 HA VAL 14 1.961 -2.293 5.441 115 HB VAL 14 HB VAL 14 2.837 -2.811 2.578 116 HG11 VAL 14 1HG1 VAL 14 4.735 -2.779 4.098 117 HG12 VAL 14 2HG1 VAL 14 4.405 -4.431 3.580 118 HG13 VAL 14 3HG1 VAL 14 3.912 -3.897 5.188 119 HG21 VAL 14 3HG2 VAL 14 0.757 -3.991 3.136 120 HG22 VAL 14 1HG2 VAL 14 1.534 -4.693 4.554 121 HG23 VAL 14 2HG2 VAL 14 2.104 -5.112 2.937 122 H THR 15 H THR 15 3.376 -0.908 6.363 123 HA THR 15 HA THR 15 4.295 1.427 4.891 124 HB THR 15 HB THR 15 5.326 2.083 7.104 125 HG1 THR 15 HG1 THR 15 5.548 0.057 8.085 126 HG21 THR 15 3HG2 THR 15 3.180 2.615 8.167 127 HG22 THR 15 1HG2 THR 15 2.366 1.457 7.117 128 HG23 THR 15 2HG2 THR 15 3.115 2.897 6.428 129 H ILE 16 H ILE 16 6.047 1.253 3.637 130 HA ILE 16 HA ILE 16 8.417 -0.174 4.689 131 HB ILE 16 HB ILE 16 9.225 -0.428 2.421 132 HG12 ILE 16 2HG1 ILE 16 6.686 0.970 1.512 133 HG13 ILE 16 3HG1 ILE 16 8.291 1.692 1.503 134 HG21 ILE 16 1HG2 ILE 16 7.559 -1.979 1.532 135 HG22 ILE 16 2HG2 ILE 16 6.329 -1.286 2.590 136 HG23 ILE 16 3HG2 ILE 16 7.704 -2.152 3.284 137 HD11 ILE 16 3HD1 ILE 16 7.404 -0.694 -0.104 138 HD12 ILE 16 1HD1 ILE 16 9.032 -0.016 -0.094 139 HD13 ILE 16 2HD1 ILE 16 7.681 0.938 -0.710 140 H GLU 17 H GLU 17 10.513 0.838 3.623 141 HA GLU 17 HA GLU 17 10.333 3.772 3.565 142 HB2 GLU 17 2HB GLU 17 12.279 3.957 5.085 143 HB3 GLU 17 3HB GLU 17 10.878 3.236 5.864 144 HG2 GLU 17 2HG GLU 17 11.887 0.994 5.481 145 HG3 GLU 17 3HG GLU 17 13.327 1.794 4.858 146 H LYS 18 H LYS 18 11.498 4.651 1.966 147 HA LYS 18 HA LYS 18 13.575 2.989 0.662 148 HB2 LYS 18 2HB LYS 18 11.737 5.065 -0.557 149 HB3 LYS 18 3HB LYS 18 13.033 4.249 -1.422 150 HG2 LYS 18 2HG LYS 18 11.916 2.106 -1.125 151 HG3 LYS 18 3HG LYS 18 10.645 2.884 -0.178 152 HD2 LYS 18 2HD LYS 18 9.995 4.221 -2.120 153 HD3 LYS 18 3HD LYS 18 11.286 3.488 -3.073 154 HE2 LYS 18 2HE LYS 18 8.998 1.964 -1.819 155 HE3 LYS 18 3HE LYS 18 9.033 2.510 -3.493 156 HZ1 LYS 18 3HZ LYS 18 11.034 1.158 -3.820 157 HZ2 LYS 18 1HZ LYS 18 9.705 0.224 -3.356 158 HZ3 LYS 18 2HZ LYS 18 10.913 0.589 -2.234 159 H GLY 19 H GLY 19 15.367 4.171 -0.378 160 HA2 GLY 19 2HA GLY 19 16.673 6.147 -0.702 161 HA3 GLY 19 3HA GLY 19 15.842 6.889 0.653 162 H LYS 20 H LYS 20 17.801 7.511 1.613 163 HA LYS 20 HA LYS 20 19.890 5.586 2.152 164 HB2 LYS 20 2HB LYS 20 19.566 8.453 3.075 165 HB3 LYS 20 3HB LYS 20 21.024 7.483 3.253 166 HG2 LYS 20 2HG LYS 20 21.245 7.350 0.827 167 HG3 LYS 20 3HG LYS 20 19.768 8.297 0.633 168 HD2 LYS 20 2HD LYS 20 20.826 10.194 1.761 169 HD3 LYS 20 3HD LYS 20 22.299 9.247 1.993 170 HE2 LYS 20 2HE LYS 20 21.092 10.063 -0.655 171 HE3 LYS 20 3HE LYS 20 22.524 10.766 0.091 172 HZ1 LYS 20 3HZ LYS 20 23.258 9.230 -1.525 173 HZ2 LYS 20 1HZ LYS 20 22.207 8.020 -0.982 174 HZ3 LYS 20 2HZ LYS 20 23.518 8.487 -0.028 175 HA PRO 21 HA PRO 21 18.764 4.066 6.169 176 HB2 PRO 21 2HB PRO 21 21.104 4.620 7.612 177 HB3 PRO 21 3HB PRO 21 20.793 3.166 6.662 178 HG2 PRO 21 2HG PRO 21 22.306 5.636 5.914 179 HG3 PRO 21 3HG PRO 21 22.664 3.942 5.524 180 HD2 PRO 21 2HD PRO 21 21.609 5.569 3.692 181 HD3 PRO 21 3HD PRO 21 21.080 3.876 3.811 182 H GLY 22 H GLY 22 20.419 7.223 6.221 183 HA2 GLY 22 2HA GLY 22 19.024 8.067 8.622 184 HA3 GLY 22 3HA GLY 22 20.133 9.032 7.659 185 H GLN 23 H GLN 23 18.990 9.021 5.184 186 HA GLN 23 HA GLN 23 16.494 10.494 5.639 187 HB2 GLN 23 2HB GLN 23 18.414 10.498 3.301 188 HB3 GLN 23 3HB GLN 23 16.889 11.372 3.310 189 HG2 GLN 23 2HG GLN 23 19.197 11.814 5.202 190 HG3 GLN 23 3HG GLN 23 18.747 12.849 3.847 191 HE21 GLN 23 1HE2 GLN 23 17.924 11.817 7.053 192 HE22 GLN 23 2HE2 GLN 23 16.761 13.049 7.371 193 H THR 24 H THR 24 15.218 8.585 5.868 194 HA THR 24 HA THR 24 14.675 7.094 3.395 195 HB THR 24 HB THR 24 13.213 5.655 4.790 196 HG1 THR 24 HG1 THR 24 13.780 6.090 7.210 197 HG21 THR 24 3HG2 THR 24 15.583 5.061 4.494 198 HG22 THR 24 1HG2 THR 24 14.970 4.546 6.069 199 HG23 THR 24 2HG2 THR 24 15.987 5.980 5.944 200 H VAL 25 H VAL 25 12.541 6.890 2.583 201 HA VAL 25 HA VAL 25 10.640 8.999 3.417 202 HB VAL 25 HB VAL 25 10.864 7.685 0.691 203 HG11 VAL 25 1HG1 VAL 25 8.591 8.389 1.210 204 HG12 VAL 25 2HG1 VAL 25 9.287 9.428 -0.034 205 HG13 VAL 25 3HG1 VAL 25 9.169 10.004 1.627 206 HG21 VAL 25 3HG2 VAL 25 12.795 9.131 1.146 207 HG22 VAL 25 1HG2 VAL 25 11.708 10.462 1.535 208 HG23 VAL 25 2HG2 VAL 25 11.757 9.818 -0.105 209 H THR 26 H THR 26 8.719 8.306 4.215 210 HA THR 26 HA THR 26 8.183 5.501 4.492 211 HB THR 26 HB THR 26 6.328 7.815 5.126 212 HG1 THR 26 HG1 THR 26 7.177 7.645 7.234 213 HG21 THR 26 3HG2 THR 26 6.361 4.947 6.088 214 HG22 THR 26 1HG2 THR 26 5.152 5.681 5.034 215 HG23 THR 26 2HG2 THR 26 5.301 6.212 6.709 216 H TRP 27 H TRP 27 7.371 4.278 2.912 217 HA TRP 27 HA TRP 27 5.352 5.449 1.104 218 HB2 TRP 27 2HB TRP 27 7.448 3.337 0.634 219 HB3 TRP 27 3HB TRP 27 6.017 3.429 -0.389 220 HD1 TRP 27 HD1 TRP 27 9.214 5.383 0.461 221 HE1 TRP 27 HE1 TRP 27 9.620 7.108 -1.409 222 HE3 TRP 27 HE3 TRP 27 4.860 4.795 -2.152 223 HZ2 TRP 27 HZ2 TRP 27 8.271 8.097 -3.679 224 HZ3 TRP 27 HZ3 TRP 27 4.491 6.172 -4.159 225 HH2 TRP 27 HH2 TRP 27 6.163 7.787 -4.903 226 H TYR 28 H TYR 28 3.371 4.607 1.052 227 HA TYR 28 HA TYR 28 2.804 2.300 2.781 228 HB2 TYR 28 2HB TYR 28 0.909 4.361 1.613 229 HB3 TYR 28 3HB TYR 28 0.484 3.110 2.775 230 HD1 TYR 28 HD2 TYR 28 2.455 6.217 2.320 231 HD2 TYR 28 HD1 TYR 28 0.830 3.447 5.120 232 HE1 TYR 28 HE2 TYR 28 2.999 7.759 4.153 233 HE2 TYR 28 HE1 TYR 28 1.377 4.985 6.960 234 HH TYR 28 HH TYR 28 2.935 6.836 7.421 235 H GLN 29 H GLN 29 2.667 0.394 1.753 236 HA GLN 29 HA GLN 29 1.846 0.298 -1.058 237 HB2 GLN 29 2HB GLN 29 3.016 -1.845 0.733 238 HB3 GLN 29 3HB GLN 29 2.603 -2.069 -0.961 239 HG2 GLN 29 2HG GLN 29 4.227 -0.207 -1.482 240 HG3 GLN 29 3HG GLN 29 4.749 -0.312 0.200 241 HE21 GLN 29 1HE2 GLN 29 6.210 -0.871 -2.290 242 HE22 GLN 29 2HE2 GLN 29 6.784 -2.492 -2.125 243 H LEU 30 H LEU 30 -0.216 -0.106 -1.559 244 HA LEU 30 HA LEU 30 -2.022 -1.350 0.339 245 HB2 LEU 30 2HB LEU 30 -2.755 0.509 -1.113 246 HB3 LEU 30 3HB LEU 30 -2.469 -0.489 -2.527 247 HG LEU 30 HG LEU 30 -4.226 -2.059 -1.750 248 HD11 LEU 30 1HD1 LEU 30 -4.087 -1.619 0.649 249 HD12 LEU 30 2HD1 LEU 30 -5.732 -1.380 0.062 250 HD13 LEU 30 3HD1 LEU 30 -4.703 0.014 0.398 251 HD21 LEU 30 3HD2 LEU 30 -4.753 -0.275 -3.347 252 HD22 LEU 30 1HD2 LEU 30 -5.130 0.816 -2.012 253 HD23 LEU 30 2HD2 LEU 30 -6.123 -0.615 -2.292 254 H ARG 31 H ARG 31 -1.853 -3.507 0.603 255 HA ARG 31 HA ARG 31 -1.549 -5.199 -1.805 256 HB2 ARG 31 2HB ARG 31 -0.429 -5.683 0.971 257 HB3 ARG 31 3HB ARG 31 -0.382 -6.855 -0.340 258 HG2 ARG 31 2HG ARG 31 0.963 -5.240 -1.669 259 HG3 ARG 31 3HG ARG 31 0.998 -4.172 -0.265 260 HD2 ARG 31 2HD ARG 31 2.122 -5.909 1.041 261 HD3 ARG 31 3HD ARG 31 2.051 -7.006 -0.339 262 HE ARG 31 HE ARG 31 3.545 -4.470 -0.480 263 HH11 ARG 31 1HH1 ARG 31 3.417 -7.898 -0.787 264 HH12 ARG 31 2HH1 ARG 31 5.018 -8.013 -1.421 265 HH21 ARG 31 1HH2 ARG 31 5.608 -4.626 -1.282 266 HH22 ARG 31 2HH2 ARG 31 6.242 -6.176 -1.726 267 H ALA 32 H ALA 32 -2.350 -7.456 -1.502 268 HA ALA 32 HA ALA 32 -4.568 -7.718 0.411 269 HB1 ALA 32 3HB ALA 32 -5.573 -6.922 -1.672 270 HB2 ALA 32 1HB ALA 32 -6.061 -8.582 -1.328 271 HB3 ALA 32 2HB ALA 32 -4.830 -8.259 -2.551 272 H ASP 33 H ASP 33 -5.283 -9.953 0.707 273 HA ASP 33 HA ASP 33 -3.046 -11.779 0.709 274 HB2 ASP 33 2HB ASP 33 -5.900 -12.265 1.593 275 HB3 ASP 33 3HB ASP 33 -4.497 -13.251 1.995 276 H HIS 34 H HIS 34 -5.757 -11.217 -1.342 277 HA HIS 34 HA HIS 34 -5.450 -13.873 -2.603 278 HB2 HIS 34 2HB HIS 34 -7.830 -12.004 -2.688 279 HB3 HIS 34 3HB HIS 34 -7.734 -13.577 -3.472 280 HD1 HIS 34 HD1 HIS 34 -7.519 -15.675 -1.776 281 HD2 HIS 34 HD2 HIS 34 -8.731 -12.064 -0.110 282 HE1 HIS 34 HE1 HIS 34 -8.563 -16.268 0.423 283 HE2 HIS 34 HE2 HIS 34 -9.145 -14.063 1.480 284 HA PRO 35 HA PRO 35 -5.965 -14.900 -4.473 285 HB2 PRO 35 2HB PRO 35 -4.467 -15.854 -6.522 286 HB3 PRO 35 3HB PRO 35 -6.050 -15.108 -6.765 287 HG2 PRO 35 2HG PRO 35 -3.324 -13.911 -7.114 288 HG3 PRO 35 3HG PRO 35 -4.751 -13.769 -8.158 289 HD2 PRO 35 2HD PRO 35 -4.004 -11.836 -6.381 290 HD3 PRO 35 3HD PRO 35 -5.692 -12.118 -6.855 291 H LYS 36 H LYS 36 -2.757 -13.452 -4.778 292 HA LYS 36 HA LYS 36 -1.752 -15.387 -2.788 293 HB2 LYS 36 2HB LYS 36 -0.214 -14.303 -5.167 294 HB3 LYS 36 3HB LYS 36 0.479 -15.273 -3.877 295 HG2 LYS 36 2HG LYS 36 -1.176 -17.085 -4.529 296 HG3 LYS 36 3HG LYS 36 -1.504 -16.120 -5.973 297 HD2 LYS 36 2HD LYS 36 0.918 -16.200 -6.525 298 HD3 LYS 36 3HD LYS 36 1.173 -17.250 -5.130 299 HE2 LYS 36 2HE LYS 36 1.038 -18.602 -7.120 300 HE3 LYS 36 3HE LYS 36 -0.395 -18.889 -6.134 301 HZ1 LYS 36 3HZ LYS 36 -0.957 -18.642 -8.469 302 HZ2 LYS 36 1HZ LYS 36 -0.251 -17.107 -8.507 303 HZ3 LYS 36 2HZ LYS 36 -1.628 -17.380 -7.567 304 HA PRO 37 HA PRO 37 -0.329 -11.901 -0.403 305 HB2 PRO 37 2HB PRO 37 2.208 -12.686 0.328 306 HB3 PRO 37 3HB PRO 37 0.726 -13.263 1.100 307 HG2 PRO 37 2HG PRO 37 2.380 -14.566 -1.038 308 HG3 PRO 37 3HG PRO 37 1.652 -15.289 0.410 309 HD2 PRO 37 2HD PRO 37 0.511 -15.574 -1.993 310 HD3 PRO 37 3HD PRO 37 -0.478 -15.342 -0.537 311 H ASP 38 H ASP 38 1.213 -12.785 -3.307 312 HA ASP 38 HA ASP 38 3.149 -10.666 -3.432 313 HB2 ASP 38 2HB ASP 38 1.938 -12.184 -5.753 314 HB3 ASP 38 3HB ASP 38 3.485 -11.344 -5.712 315 H SER 39 H SER 39 -0.189 -10.643 -3.555 316 HA SER 39 HA SER 39 -0.728 -8.961 -5.760 317 HB2 SER 39 2HB SER 39 -2.337 -9.412 -3.233 318 HB3 SER 39 3HB SER 39 -2.929 -8.557 -4.659 319 HG SER 39 HG SER 39 -3.519 -10.800 -4.579 320 H LEU 40 H LEU 40 0.708 -7.219 -5.742 321 HA LEU 40 HA LEU 40 0.256 -5.160 -3.689 322 HB2 LEU 40 2HB LEU 40 2.586 -5.635 -4.246 323 HB3 LEU 40 3HB LEU 40 2.275 -5.322 -5.943 324 HG LEU 40 HG LEU 40 1.867 -2.953 -5.461 325 HD11 LEU 40 1HD1 LEU 40 2.279 -2.043 -3.227 326 HD12 LEU 40 2HD1 LEU 40 2.491 -3.676 -2.597 327 HD13 LEU 40 3HD1 LEU 40 0.925 -3.170 -3.229 328 HD21 LEU 40 3HD2 LEU 40 4.450 -3.963 -4.253 329 HD22 LEU 40 1HD2 LEU 40 4.148 -2.323 -4.832 330 HD23 LEU 40 2HD2 LEU 40 4.147 -3.673 -5.967 331 H ILE 41 H ILE 41 -1.536 -4.009 -4.099 332 HA ILE 41 HA ILE 41 -2.666 -3.748 -6.710 333 HB ILE 41 HB ILE 41 -3.393 -2.393 -4.096 334 HG12 ILE 41 2HG1 ILE 41 -5.414 -3.901 -4.293 335 HG13 ILE 41 3HG1 ILE 41 -4.610 -4.702 -5.637 336 HG21 ILE 41 1HG2 ILE 41 -4.065 -0.946 -5.931 337 HG22 ILE 41 2HG2 ILE 41 -5.483 -1.695 -5.197 338 HG23 ILE 41 3HG2 ILE 41 -4.864 -2.298 -6.736 339 HD11 ILE 41 3HD1 ILE 41 -3.593 -4.567 -2.808 340 HD12 ILE 41 1HD1 ILE 41 -2.818 -5.408 -4.152 341 HD13 ILE 41 2HD1 ILE 41 -4.389 -5.948 -3.560 342 H SER 42 H SER 42 -1.260 -1.342 -4.477 343 HA SER 42 HA SER 42 0.048 0.097 -6.554 344 HB2 SER 42 2HB SER 42 -1.260 2.211 -6.392 345 HB3 SER 42 3HB SER 42 -2.192 0.893 -7.096 346 HG SER 42 HG SER 42 -3.581 1.165 -5.557 347 H GLU 43 H GLU 43 1.410 1.735 -5.778 348 HA GLU 43 HA GLU 43 1.771 1.758 -2.860 349 HB2 GLU 43 2HB GLU 43 3.650 2.629 -5.073 350 HB3 GLU 43 3HB GLU 43 4.029 2.647 -3.353 351 HG2 GLU 43 2HG GLU 43 3.844 0.229 -3.258 352 HG3 GLU 43 3HG GLU 43 3.357 0.175 -4.950 353 H HIS 44 H HIS 44 1.776 3.662 -1.668 354 HA HIS 44 HA HIS 44 1.194 6.172 -3.091 355 HB2 HIS 44 2HB HIS 44 -0.413 5.152 -0.729 356 HB3 HIS 44 3HB HIS 44 -0.631 6.700 -1.539 357 HD1 HIS 44 HD1 HIS 44 -1.779 6.669 -3.876 358 HD2 HIS 44 HD2 HIS 44 -1.493 2.944 -2.057 359 HE1 HIS 44 HE1 HIS 44 -3.339 5.177 -5.153 360 HE2 HIS 44 HE2 HIS 44 -2.994 2.897 -4.161 361 HA PRO 45 HA PRO 45 4.191 7.631 -0.117 362 HB2 PRO 45 2HB PRO 45 4.083 10.272 -0.645 363 HB3 PRO 45 3HB PRO 45 4.790 9.116 -1.782 364 HG2 PRO 45 2HG PRO 45 2.057 10.356 -1.795 365 HG3 PRO 45 3HG PRO 45 3.182 10.120 -3.146 366 HD2 PRO 45 2HD PRO 45 1.069 8.459 -2.647 367 HD3 PRO 45 3HD PRO 45 2.566 7.915 -3.430 368 H THR 46 H THR 46 0.856 8.238 0.124 369 HA THR 46 HA THR 46 1.209 9.179 2.896 370 HB THR 46 HB THR 46 -0.663 10.700 2.776 371 HG1 THR 46 HG1 THR 46 -1.003 10.684 0.049 372 HG21 THR 46 3HG2 THR 46 0.195 12.420 1.254 373 HG22 THR 46 1HG2 THR 46 1.200 11.217 0.447 374 HG23 THR 46 2HG2 THR 46 1.511 11.641 2.131 375 H ALA 47 H ALA 47 -0.522 8.625 4.337 376 HA ALA 47 HA ALA 47 -1.622 6.048 3.910 377 HB1 ALA 47 3HB ALA 47 -2.728 6.367 6.065 378 HB2 ALA 47 1HB ALA 47 -2.336 8.085 6.022 379 HB3 ALA 47 2HB ALA 47 -1.045 6.891 6.134 380 H GLN 48 H GLN 48 -3.088 9.298 3.791 381 HA GLN 48 HA GLN 48 -5.753 8.566 3.415 382 HB2 GLN 48 2HB GLN 48 -5.186 10.862 3.824 383 HB3 GLN 48 3HB GLN 48 -4.194 10.940 2.380 384 HG2 GLN 48 2HG GLN 48 -6.324 12.133 2.134 385 HG3 GLN 48 3HG GLN 48 -6.145 10.830 0.964 386 HE21 GLN 48 1HE2 GLN 48 -7.541 9.084 1.059 387 HE22 GLN 48 2HE2 GLN 48 -8.948 9.062 2.061 388 H GLU 49 H GLU 49 -3.286 9.192 0.875 389 HA GLU 49 HA GLU 49 -4.943 8.534 -1.300 390 HB2 GLU 49 2HB GLU 49 -1.934 8.434 -1.022 391 HB3 GLU 49 3HB GLU 49 -2.777 8.197 -2.549 392 HG2 GLU 49 2HG GLU 49 -3.716 10.437 -2.409 393 HG3 GLU 49 3HG GLU 49 -2.946 10.681 -0.843 394 H ALA 50 H ALA 50 -3.098 6.481 0.860 395 HA ALA 50 HA ALA 50 -3.369 4.085 -0.689 396 HB1 ALA 50 3HB ALA 50 -2.841 4.383 2.271 397 HB2 ALA 50 1HB ALA 50 -1.611 4.363 1.008 398 HB3 ALA 50 2HB ALA 50 -2.592 2.928 1.305 399 H MET 51 H MET 51 -5.129 5.383 2.129 400 HA MET 51 HA MET 51 -7.009 3.273 2.327 401 HB2 MET 51 2HB MET 51 -7.198 6.154 3.245 402 HB3 MET 51 3HB MET 51 -8.314 4.882 3.720 403 HG2 MET 51 2HG MET 51 -6.448 3.660 4.764 404 HG3 MET 51 3HG MET 51 -5.361 4.975 4.325 405 HE1 MET 51 3HE MET 51 -4.543 5.294 6.815 406 HE2 MET 51 1HE MET 51 -5.545 3.915 7.265 407 HE3 MET 51 2HE MET 51 -5.640 5.414 8.192 408 H ASP 52 H ASP 52 -7.014 6.303 0.529 409 HA ASP 52 HA ASP 52 -9.670 6.295 -0.376 410 HB2 ASP 52 2HB ASP 52 -8.026 8.190 -0.585 411 HB3 ASP 52 3HB ASP 52 -7.235 7.300 -1.880 412 H ALA 53 H ALA 53 -6.722 5.017 -1.915 413 HA ALA 53 HA ALA 53 -7.967 3.786 -4.118 414 HB1 ALA 53 3HB ALA 53 -5.389 3.044 -2.737 415 HB2 ALA 53 1HB ALA 53 -5.574 4.228 -4.029 416 HB3 ALA 53 2HB ALA 53 -5.883 2.521 -4.348 417 H LYS 54 H LYS 54 -7.228 2.558 -0.876 418 HA LYS 54 HA LYS 54 -7.862 -0.124 -1.198 419 HB2 LYS 54 2HB LYS 54 -6.846 0.589 0.826 420 HB3 LYS 54 3HB LYS 54 -8.141 1.725 1.168 421 HG2 LYS 54 2HG LYS 54 -9.632 -0.002 1.794 422 HG3 LYS 54 3HG LYS 54 -8.593 -1.252 1.106 423 HD2 LYS 54 2HD LYS 54 -7.003 -1.039 2.838 424 HD3 LYS 54 3HD LYS 54 -7.663 0.506 3.373 425 HE2 LYS 54 2HE LYS 54 -8.177 -1.465 4.857 426 HE3 LYS 54 3HE LYS 54 -9.570 -0.541 4.323 427 HZ1 LYS 54 3HZ LYS 54 -9.999 -2.226 2.640 428 HZ2 LYS 54 1HZ LYS 54 -9.975 -2.913 4.183 429 HZ3 LYS 54 2HZ LYS 54 -8.657 -3.104 3.152 430 H LYS 55 H LYS 55 -10.077 2.526 -0.292 431 HA LYS 55 HA LYS 55 -12.426 0.977 -0.157 432 HB2 LYS 55 2HB LYS 55 -12.127 3.887 -0.931 433 HB3 LYS 55 3HB LYS 55 -13.629 3.111 -0.455 434 HG2 LYS 55 2HG LYS 55 -12.718 2.690 1.774 435 HG3 LYS 55 3HG LYS 55 -11.196 3.448 1.300 436 HD2 LYS 55 2HD LYS 55 -13.903 4.797 1.406 437 HD3 LYS 55 3HD LYS 55 -12.590 5.012 2.565 438 HE2 LYS 55 2HE LYS 55 -11.190 6.000 0.852 439 HE3 LYS 55 3HE LYS 55 -12.411 5.681 -0.377 440 HZ1 LYS 55 3HZ LYS 55 -13.910 7.186 0.838 441 HZ2 LYS 55 1HZ LYS 55 -12.516 7.963 0.283 442 HZ3 LYS 55 2HZ LYS 55 -12.660 7.551 1.916 443 H ARG 56 H ARG 56 -11.060 2.853 -2.847 444 HA ARG 56 HA ARG 56 -13.103 2.295 -4.725 445 HB2 ARG 56 2HB ARG 56 -10.225 3.153 -5.118 446 HB3 ARG 56 3HB ARG 56 -11.438 3.139 -6.394 447 HG2 ARG 56 2HG ARG 56 -12.646 4.890 -5.448 448 HG3 ARG 56 3HG ARG 56 -11.934 4.651 -3.854 449 HD2 ARG 56 2HD ARG 56 -11.047 6.664 -4.839 450 HD3 ARG 56 3HD ARG 56 -9.773 5.455 -4.718 451 HE ARG 56 HE ARG 56 -10.721 5.157 -7.252 452 HH11 ARG 56 1HH1 ARG 56 -9.531 7.820 -5.414 453 HH12 ARG 56 2HH1 ARG 56 -8.907 8.640 -6.805 454 HH21 ARG 56 1HH2 ARG 56 -9.850 6.192 -9.031 455 HH22 ARG 56 2HH2 ARG 56 -9.079 7.727 -8.825 456 H TYR 57 H TYR 57 -10.270 0.501 -3.759 457 HA TYR 57 HA TYR 57 -10.193 -1.308 -5.966 458 HB2 TYR 57 2HB TYR 57 -8.231 -1.046 -4.585 459 HB3 TYR 57 3HB TYR 57 -9.120 -1.504 -3.138 460 HD1 TYR 57 HD1 TYR 57 -7.973 -2.831 -6.430 461 HD2 TYR 57 HD2 TYR 57 -9.129 -3.750 -2.438 462 HE1 TYR 57 HE1 TYR 57 -7.285 -5.162 -6.773 463 HE2 TYR 57 HE2 TYR 57 -8.440 -6.085 -2.770 464 HH TYR 57 HH TYR 57 -8.149 -7.655 -4.714 465 H GLU 58 H GLU 58 -11.628 -1.500 -2.711 466 HA GLU 58 HA GLU 58 -12.762 -4.110 -3.213 467 HB2 GLU 58 2HB GLU 58 -13.004 -2.206 -0.876 468 HB3 GLU 58 3HB GLU 58 -13.768 -3.793 -0.928 469 HG2 GLU 58 2HG GLU 58 -11.620 -4.880 -1.093 470 HG3 GLU 58 3HG GLU 58 -10.799 -3.323 -1.193 471 H ASP 59 H ASP 59 -13.854 -0.834 -3.547 472 HA ASP 59 HA ASP 59 -16.509 -1.869 -4.336 473 HB2 ASP 59 2HB ASP 59 -15.905 0.901 -3.270 474 HB3 ASP 59 3HB ASP 59 -17.487 0.279 -3.723 475 HA PRO 60 HA PRO 60 -14.570 0.038 -8.100 476 HB2 PRO 60 2HB PRO 60 -15.488 -2.311 -9.557 477 HB3 PRO 60 3HB PRO 60 -13.838 -1.734 -9.311 478 HG2 PRO 60 2HG PRO 60 -14.814 -4.019 -8.178 479 HG3 PRO 60 3HG PRO 60 -13.519 -3.046 -7.454 480 HD2 PRO 60 2HD PRO 60 -16.448 -3.118 -6.774 481 HD3 PRO 60 3HD PRO 60 -15.038 -3.043 -5.691 482 H ASP 61 H ASP 61 -16.337 1.572 -7.911 483 HA ASP 61 HA ASP 61 -18.846 0.883 -9.233 484 HB2 ASP 61 2HB ASP 61 -19.557 3.156 -8.616 485 HB3 ASP 61 3HB ASP 61 -18.930 2.283 -7.221 486 H LYS 62 H LYS 62 -15.836 2.408 -9.999 487 HA LYS 62 HA LYS 62 -16.779 3.960 -12.219 488 HB2 LYS 62 2HB LYS 62 -14.437 3.854 -10.730 489 HB3 LYS 62 3HB LYS 62 -13.939 3.230 -12.293 490 HG2 LYS 62 2HG LYS 62 -13.511 5.497 -12.469 491 HG3 LYS 62 3HG LYS 62 -15.076 5.335 -13.266 492 HD2 LYS 62 2HD LYS 62 -14.775 6.123 -10.363 493 HD3 LYS 62 3HD LYS 62 -14.816 7.297 -11.675 494 HE2 LYS 62 2HE LYS 62 -17.010 5.326 -11.020 495 HE3 LYS 62 3HE LYS 62 -17.008 7.032 -10.591 496 HZ1 LYS 62 3HZ LYS 62 -18.316 6.619 -12.572 497 HZ2 LYS 62 1HZ LYS 62 -16.980 5.950 -13.357 498 HZ3 LYS 62 2HZ LYS 62 -16.982 7.586 -12.938 499 H GLU 63 H GLU 63 -15.696 3.599 -14.460 500 HA GLU 63 HA GLU 63 -16.651 1.072 -15.413 501 HB2 GLU 63 2HB GLU 63 -15.434 3.475 -16.744 502 HB3 GLU 63 3HB GLU 63 -15.701 1.994 -17.653 503 HG2 GLU 63 2HG GLU 63 -17.851 3.487 -16.157 504 HG3 GLU 63 3HG GLU 63 -17.522 3.657 -17.881 505 H LEU 64 H LEU 64 -15.535 -0.494 -16.606 506 HA LEU 64 HA LEU 64 -12.979 -1.202 -15.519 507 HB2 LEU 64 2HB LEU 64 -14.641 -2.497 -17.690 508 HB3 LEU 64 3HB LEU 64 -13.170 -3.182 -17.029 509 HG LEU 64 HG LEU 64 -14.304 -3.262 -14.780 510 HD11 LEU 64 1HD1 LEU 64 -16.741 -3.129 -14.701 511 HD12 LEU 64 2HD1 LEU 64 -16.775 -2.614 -16.389 512 HD13 LEU 64 3HD1 LEU 64 -16.031 -1.583 -15.165 513 HD21 LEU 64 3HD2 LEU 64 -14.105 -5.253 -16.166 514 HD22 LEU 64 1HD2 LEU 64 -15.590 -4.831 -17.021 515 HD23 LEU 64 2HD2 LEU 64 -15.644 -5.250 -15.306 516 H GLU 65 H GLU 65 -10.998 -1.482 -16.666 517 HA GLU 65 HA GLU 65 -10.498 0.461 -18.712 518 HB2 GLU 65 2HB GLU 65 -8.712 -1.751 -17.668 519 HB3 GLU 65 3HB GLU 65 -8.190 -0.416 -18.688 520 HG2 GLU 65 2HG GLU 65 -8.838 1.164 -16.898 521 HG3 GLU 65 3HG GLU 65 -9.264 -0.209 -15.876 522 H HIS 66 H HIS 66 -8.978 -0.393 -20.632 523 HA HIS 66 HA HIS 66 -10.439 -2.595 -21.965 524 HB2 HIS 66 2HB HIS 66 -9.197 -0.165 -23.280 525 HB3 HIS 66 3HB HIS 66 -10.101 -1.440 -24.090 526 HD1 HIS 66 HD1 HIS 66 -12.605 -1.654 -22.426 527 HD2 HIS 66 HD2 HIS 66 -10.821 1.990 -23.321 528 HE1 HIS 66 HE1 HIS 66 -14.429 0.059 -22.205 529 HE2 HIS 66 HE2 HIS 66 -13.284 2.264 -22.578 530 H HIS 67 H HIS 67 -9.265 -4.009 -23.291 531 HA HIS 67 HA HIS 67 -7.536 -5.232 -24.075 532 HB2 HIS 67 2HB HIS 67 -5.873 -2.778 -23.483 533 HB3 HIS 67 3HB HIS 67 -5.292 -4.196 -24.352 534 HD1 HIS 67 HD1 HIS 67 -6.097 -4.524 -26.769 535 HD2 HIS 67 HD2 HIS 67 -7.612 -1.114 -24.944 536 HE1 HIS 67 HE1 HIS 67 -7.142 -3.183 -28.614 537 HE2 HIS 67 HE2 HIS 67 -7.953 -1.081 -27.504 538 H HIS 68 H HIS 68 -6.770 -3.595 -20.998 539 HA HIS 68 HA HIS 68 -4.920 -5.465 -20.017 540 HB2 HIS 68 2HB HIS 68 -6.914 -3.800 -18.445 541 HB3 HIS 68 3HB HIS 68 -5.510 -4.615 -17.766 542 HD1 HIS 68 HD1 HIS 68 -5.728 -1.641 -17.363 543 HD2 HIS 68 HD2 HIS 68 -3.824 -3.327 -20.649 544 HE1 HIS 68 HE1 HIS 68 -4.145 0.116 -18.195 545 HE2 HIS 68 HE2 HIS 68 -3.064 -0.888 -20.231 546 H HIS 69 H HIS 69 -5.339 -7.601 -20.046 547 HA HIS 69 HA HIS 69 -8.056 -8.561 -19.538 548 HB2 HIS 69 2HB HIS 69 -7.104 -10.766 -20.346 549 HB3 HIS 69 3HB HIS 69 -7.105 -9.456 -21.519 550 HD1 HIS 69 HD1 HIS 69 -4.831 -8.592 -22.341 551 HD2 HIS 69 HD2 HIS 69 -4.552 -11.602 -19.486 552 HE1 HIS 69 HE1 HIS 69 -2.431 -9.312 -22.358 553 HE2 HIS 69 HE2 HIS 69 -2.345 -11.272 -20.788 554 H HIS 70 H HIS 70 -6.323 -7.601 -17.347 555 HA HIS 70 HA HIS 70 -5.444 -9.761 -15.751 556 HB2 HIS 70 2HB HIS 70 -4.667 -7.544 -15.242 557 HB3 HIS 70 3HB HIS 70 -6.313 -6.951 -15.044 558 HD1 HIS 70 HD1 HIS 70 -3.811 -9.220 -13.334 559 HD2 HIS 70 HD2 HIS 70 -7.327 -7.174 -12.494 560 HE1 HIS 70 HE1 HIS 70 -4.159 -9.470 -10.862 561 HE2 HIS 70 HE2 HIS 70 -6.406 -8.430 -10.431 562 H HIS 71 H HIS 71 -6.474 -11.045 -14.271 563 HA HIS 71 HA HIS 71 -9.092 -10.343 -13.261 564 HB2 HIS 71 2HB HIS 71 -10.063 -12.612 -13.946 565 HB3 HIS 71 3HB HIS 71 -9.913 -11.398 -15.209 566 HD1 HIS 71 HD1 HIS 71 -8.104 -11.828 -17.051 567 HD2 HIS 71 HD2 HIS 71 -8.535 -14.924 -14.313 568 HE1 HIS 71 HE1 HIS 71 -6.927 -13.791 -18.070 569 HE2 HIS 71 HE2 HIS 71 -7.295 -15.677 -16.455 Start of MODEL 16 1 H1 MET 1 1H MET 1 -33.921 -21.637 3.398 2 H2 MET 1 2H MET 1 -34.233 -20.810 4.839 3 H3 MET 1 3H MET 1 -32.883 -21.822 4.723 4 HA MET 1 HA MET 1 -33.324 -19.337 3.171 5 HB2 MET 1 2HB MET 1 -31.538 -18.356 4.537 6 HB3 MET 1 3HB MET 1 -32.879 -18.881 5.546 7 HG2 MET 1 2HG MET 1 -31.638 -20.884 6.176 8 HG3 MET 1 3HG MET 1 -30.298 -20.388 5.145 9 HE1 MET 1 3HE MET 1 -31.618 -18.122 8.943 10 HE2 MET 1 1HE MET 1 -32.395 -19.588 8.349 11 HE3 MET 1 2HE MET 1 -32.552 -18.082 7.446 12 HA PRO 2 HA PRO 2 -30.096 -21.145 0.613 13 HB2 PRO 2 2HB PRO 2 -29.847 -19.166 -1.185 14 HB3 PRO 2 3HB PRO 2 -31.294 -20.182 -1.127 15 HG2 PRO 2 2HG PRO 2 -30.882 -17.407 -0.082 16 HG3 PRO 2 3HG PRO 2 -32.295 -18.099 -0.899 17 HD2 PRO 2 2HD PRO 2 -32.045 -17.786 1.850 18 HD3 PRO 2 3HD PRO 2 -33.162 -18.910 1.054 19 H THR 3 H THR 3 -28.458 -21.076 2.292 20 HA THR 3 HA THR 3 -26.967 -18.663 2.777 21 HB THR 3 HB THR 3 -26.292 -21.509 3.581 22 HG1 THR 3 HG1 THR 3 -27.353 -21.054 5.454 23 HG21 THR 3 3HG2 THR 3 -25.199 -18.860 4.568 24 HG22 THR 3 1HG2 THR 3 -24.318 -20.062 3.624 25 HG23 THR 3 2HG2 THR 3 -24.837 -20.439 5.266 26 H LYS 4 H LYS 4 -26.099 -17.981 0.838 27 HA LYS 4 HA LYS 4 -23.657 -19.396 0.063 28 HB2 LYS 4 2HB LYS 4 -25.646 -19.952 -1.520 29 HB3 LYS 4 3HB LYS 4 -25.462 -18.307 -2.103 30 HG2 LYS 4 2HG LYS 4 -23.264 -20.376 -2.140 31 HG3 LYS 4 3HG LYS 4 -24.333 -20.033 -3.497 32 HD2 LYS 4 2HD LYS 4 -23.499 -17.738 -3.593 33 HD3 LYS 4 3HD LYS 4 -22.469 -18.039 -2.193 34 HE2 LYS 4 2HE LYS 4 -22.259 -19.401 -4.887 35 HE3 LYS 4 3HE LYS 4 -21.180 -18.154 -4.261 36 HZ1 LYS 4 3HZ LYS 4 -21.561 -20.870 -3.116 37 HZ2 LYS 4 1HZ LYS 4 -20.576 -19.667 -2.454 38 HZ3 LYS 4 2HZ LYS 4 -20.206 -20.321 -3.965 39 HA PRO 5 HA PRO 5 -22.860 -14.900 0.528 40 HB2 PRO 5 2HB PRO 5 -20.369 -15.615 1.807 41 HB3 PRO 5 3HB PRO 5 -21.788 -14.845 2.519 42 HG2 PRO 5 2HG PRO 5 -20.953 -17.392 3.141 43 HG3 PRO 5 3HG PRO 5 -22.624 -16.828 3.305 44 HD2 PRO 5 2HD PRO 5 -21.381 -18.459 1.114 45 HD3 PRO 5 3HD PRO 5 -22.977 -18.630 1.883 46 HA PRO 6 HA PRO 6 -20.133 -14.981 -3.118 47 HB2 PRO 6 2HB PRO 6 -20.139 -12.272 -3.502 48 HB3 PRO 6 3HB PRO 6 -21.442 -13.334 -4.052 49 HG2 PRO 6 2HG PRO 6 -21.300 -11.642 -1.574 50 HG3 PRO 6 3HG PRO 6 -22.652 -11.855 -2.705 51 HD2 PRO 6 2HD PRO 6 -22.558 -13.160 -0.347 52 HD3 PRO 6 3HD PRO 6 -23.248 -13.911 -1.802 53 H TYR 7 H TYR 7 -18.056 -13.727 -3.676 54 HA TYR 7 HA TYR 7 -16.363 -13.909 -1.347 55 HB2 TYR 7 2HB TYR 7 -15.611 -14.867 -3.469 56 HB3 TYR 7 3HB TYR 7 -15.675 -13.279 -4.228 57 HD1 TYR 7 HD1 TYR 7 -13.907 -15.304 -1.670 58 HD2 TYR 7 HD2 TYR 7 -13.858 -11.739 -4.003 59 HE1 TYR 7 HE1 TYR 7 -11.588 -14.879 -0.973 60 HE2 TYR 7 HE2 TYR 7 -11.538 -11.312 -3.312 61 HH TYR 7 HH TYR 7 -10.054 -11.929 -1.374 62 HA PRO 8 HA PRO 8 -16.143 -9.398 -0.881 63 HB2 PRO 8 2HB PRO 8 -15.652 -9.360 1.743 64 HB3 PRO 8 3HB PRO 8 -17.260 -9.768 1.134 65 HG2 PRO 8 2HG PRO 8 -15.135 -11.561 2.219 66 HG3 PRO 8 3HG PRO 8 -16.896 -11.681 2.378 67 HD2 PRO 8 2HD PRO 8 -15.275 -13.075 0.532 68 HD3 PRO 8 3HD PRO 8 -17.046 -12.969 0.507 69 H ARG 9 H ARG 9 -14.331 -8.099 -1.001 70 HA ARG 9 HA ARG 9 -11.759 -9.492 -0.990 71 HB2 ARG 9 2HB ARG 9 -12.529 -6.767 -2.052 72 HB3 ARG 9 3HB ARG 9 -10.923 -7.478 -2.177 73 HG2 ARG 9 2HG ARG 9 -11.957 -9.388 -3.429 74 HG3 ARG 9 3HG ARG 9 -13.468 -8.476 -3.444 75 HD2 ARG 9 2HD ARG 9 -12.422 -6.689 -4.692 76 HD3 ARG 9 3HD ARG 9 -10.852 -7.484 -4.582 77 HE ARG 9 HE ARG 9 -13.065 -8.201 -6.318 78 HH11 ARG 9 1HH1 ARG 9 -9.946 -9.025 -5.089 79 HH12 ARG 9 2HH1 ARG 9 -9.670 -10.218 -6.308 80 HH21 ARG 9 1HH2 ARG 9 -12.681 -9.694 -7.881 81 HH22 ARG 9 2HH2 ARG 9 -11.199 -10.588 -7.880 82 H GLU 10 H GLU 10 -9.972 -8.893 0.158 83 HA GLU 10 HA GLU 10 -10.246 -6.742 2.160 84 HB2 GLU 10 2HB GLU 10 -10.587 -8.885 3.299 85 HB3 GLU 10 3HB GLU 10 -9.092 -9.508 2.619 86 HG2 GLU 10 2HG GLU 10 -8.663 -8.943 4.878 87 HG3 GLU 10 3HG GLU 10 -7.859 -7.735 3.882 88 H ALA 11 H ALA 11 -8.615 -5.340 2.147 89 HA ALA 11 HA ALA 11 -5.978 -6.171 1.112 90 HB1 ALA 11 3HB ALA 11 -7.159 -4.913 -0.641 91 HB2 ALA 11 1HB ALA 11 -5.740 -4.043 -0.063 92 HB3 ALA 11 2HB ALA 11 -7.351 -3.554 0.463 93 H TYR 12 H TYR 12 -4.179 -4.892 1.943 94 HA TYR 12 HA TYR 12 -4.796 -3.343 4.362 95 HB2 TYR 12 2HB TYR 12 -2.990 -4.519 5.597 96 HB3 TYR 12 3HB TYR 12 -4.338 -5.565 5.182 97 HD1 TYR 12 HD1 TYR 12 -4.045 -7.026 3.028 98 HD2 TYR 12 HD2 TYR 12 -0.806 -5.193 5.103 99 HE1 TYR 12 HE1 TYR 12 -2.484 -8.637 2.010 100 HE2 TYR 12 HE2 TYR 12 0.752 -6.794 4.088 101 HH TYR 12 HH TYR 12 0.617 -9.131 3.145 102 H ILE 13 H ILE 13 -3.293 -1.801 4.979 103 HA ILE 13 HA ILE 13 -1.634 -0.830 2.779 104 HB ILE 13 HB ILE 13 -2.338 0.515 5.402 105 HG12 ILE 13 2HG1 ILE 13 -3.545 0.932 2.647 106 HG13 ILE 13 3HG1 ILE 13 -4.318 0.043 3.957 107 HG21 ILE 13 1HG2 ILE 13 -1.099 1.625 2.877 108 HG22 ILE 13 2HG2 ILE 13 -0.297 1.405 4.433 109 HG23 ILE 13 3HG2 ILE 13 -1.601 2.578 4.275 110 HD11 ILE 13 3HD1 ILE 13 -5.221 2.276 3.791 111 HD12 ILE 13 1HD1 ILE 13 -3.610 2.973 3.969 112 HD13 ILE 13 2HD1 ILE 13 -4.342 2.089 5.309 113 H VAL 14 H VAL 14 0.471 -1.301 2.722 114 HA VAL 14 HA VAL 14 1.885 -1.954 5.228 115 HB VAL 14 HB VAL 14 2.664 -2.600 2.370 116 HG11 VAL 14 1HG1 VAL 14 3.931 -3.449 4.979 117 HG12 VAL 14 2HG1 VAL 14 4.631 -2.351 3.790 118 HG13 VAL 14 3HG1 VAL 14 4.382 -4.050 3.383 119 HG21 VAL 14 3HG2 VAL 14 1.533 -4.367 4.541 120 HG22 VAL 14 1HG2 VAL 14 2.114 -4.923 2.970 121 HG23 VAL 14 2HG2 VAL 14 0.709 -3.861 3.066 122 H THR 15 H THR 15 3.376 -0.580 5.995 123 HA THR 15 HA THR 15 4.218 1.681 4.330 124 HB THR 15 HB THR 15 5.170 2.622 6.407 125 HG1 THR 15 HG1 THR 15 5.682 0.717 7.531 126 HG21 THR 15 3HG2 THR 15 3.044 2.993 7.603 127 HG22 THR 15 1HG2 THR 15 2.306 1.682 6.676 128 HG23 THR 15 2HG2 THR 15 2.855 3.145 5.856 129 H ILE 16 H ILE 16 6.037 1.499 3.170 130 HA ILE 16 HA ILE 16 8.211 -0.236 4.176 131 HB ILE 16 HB ILE 16 8.977 -0.493 1.882 132 HG12 ILE 16 2HG1 ILE 16 6.586 1.175 1.047 133 HG13 ILE 16 3HG1 ILE 16 8.241 1.774 1.087 134 HG21 ILE 16 1HG2 ILE 16 7.100 -1.789 0.965 135 HG22 ILE 16 2HG2 ILE 16 6.008 -1.020 2.119 136 HG23 ILE 16 3HG2 ILE 16 7.298 -2.076 2.695 137 HD11 ILE 16 3HD1 ILE 16 7.214 -0.476 -0.630 138 HD12 ILE 16 1HD1 ILE 16 8.874 0.122 -0.596 139 HD13 ILE 16 2HD1 ILE 16 7.570 1.166 -1.163 140 H GLU 17 H GLU 17 10.432 0.437 3.398 141 HA GLU 17 HA GLU 17 10.753 3.353 3.757 142 HB2 GLU 17 2HB GLU 17 12.611 1.117 4.604 143 HB3 GLU 17 3HB GLU 17 12.906 2.833 4.840 144 HG2 GLU 17 2HG GLU 17 10.985 2.979 6.329 145 HG3 GLU 17 3HG GLU 17 10.633 1.273 6.059 146 H LYS 18 H LYS 18 11.371 4.306 1.891 147 HA LYS 18 HA LYS 18 13.338 2.913 0.172 148 HB2 LYS 18 2HB LYS 18 11.469 5.198 -0.520 149 HB3 LYS 18 3HB LYS 18 12.656 4.499 -1.615 150 HG2 LYS 18 2HG LYS 18 11.479 2.311 -1.393 151 HG3 LYS 18 3HG LYS 18 10.233 3.130 -0.452 152 HD2 LYS 18 2HD LYS 18 9.789 4.615 -2.385 153 HD3 LYS 18 3HD LYS 18 10.995 3.727 -3.320 154 HE2 LYS 18 2HE LYS 18 9.659 1.663 -3.015 155 HE3 LYS 18 3HE LYS 18 8.439 2.603 -2.160 156 HZ1 LYS 18 3HZ LYS 18 9.238 2.911 -5.007 157 HZ2 LYS 18 1HZ LYS 18 8.156 3.935 -4.206 158 HZ3 LYS 18 2HZ LYS 18 7.769 2.304 -4.428 159 H GLY 19 H GLY 19 14.964 4.411 -0.920 160 HA2 GLY 19 2HA GLY 19 16.281 6.403 -0.860 161 HA3 GLY 19 3HA GLY 19 15.670 6.737 0.751 162 H LYS 20 H LYS 20 17.450 6.838 2.003 163 HA LYS 20 HA LYS 20 19.636 4.900 1.595 164 HB2 LYS 20 2HB LYS 20 19.585 7.538 3.086 165 HB3 LYS 20 3HB LYS 20 20.999 6.509 2.896 166 HG2 LYS 20 2HG LYS 20 20.986 6.865 0.501 167 HG3 LYS 20 3HG LYS 20 19.491 7.797 0.623 168 HD2 LYS 20 2HD LYS 20 21.489 9.238 0.416 169 HD3 LYS 20 3HD LYS 20 20.611 9.508 1.922 170 HE2 LYS 20 2HE LYS 20 23.012 9.469 2.316 171 HE3 LYS 20 3HE LYS 20 22.234 8.102 3.112 172 HZ1 LYS 20 3HZ LYS 20 24.268 7.442 2.002 173 HZ2 LYS 20 1HZ LYS 20 23.680 8.009 0.521 174 HZ3 LYS 20 2HZ LYS 20 22.941 6.688 1.282 175 HA PRO 21 HA PRO 21 19.041 2.899 5.589 176 HB2 PRO 21 2HB PRO 21 21.956 3.245 6.066 177 HB3 PRO 21 3HB PRO 21 20.988 1.765 6.039 178 HG2 PRO 21 2HG PRO 21 22.657 2.353 4.033 179 HG3 PRO 21 3HG PRO 21 21.086 1.585 3.723 180 HD2 PRO 21 2HD PRO 21 21.899 4.454 3.381 181 HD3 PRO 21 3HD PRO 21 20.887 3.437 2.332 182 H GLY 22 H GLY 22 18.254 3.876 7.391 183 HA2 GLY 22 2HA GLY 22 18.311 5.228 9.314 184 HA3 GLY 22 3HA GLY 22 19.763 6.012 8.706 185 H GLN 23 H GLN 23 19.005 6.945 6.266 186 HA GLN 23 HA GLN 23 16.885 8.883 6.894 187 HB2 GLN 23 2HB GLN 23 18.988 8.902 4.710 188 HB3 GLN 23 3HB GLN 23 17.761 10.147 4.927 189 HG2 GLN 23 2HG GLN 23 19.933 9.420 6.895 190 HG3 GLN 23 3HG GLN 23 19.903 10.841 5.852 191 HE21 GLN 23 1HE2 GLN 23 18.531 9.328 8.669 192 HE22 GLN 23 2HE2 GLN 23 17.742 10.732 9.286 193 H THR 24 H THR 24 15.204 7.331 6.584 194 HA THR 24 HA THR 24 14.790 6.403 3.817 195 HB THR 24 HB THR 24 13.212 4.756 4.778 196 HG1 THR 24 HG1 THR 24 13.425 4.510 7.167 197 HG21 THR 24 3HG2 THR 24 15.523 4.077 4.424 198 HG22 THR 24 1HG2 THR 24 14.889 3.329 5.894 199 HG23 THR 24 2HG2 THR 24 15.973 4.714 6.008 200 H VAL 25 H VAL 25 12.700 6.463 2.904 201 HA VAL 25 HA VAL 25 10.870 8.485 4.039 202 HB VAL 25 HB VAL 25 11.170 7.623 1.143 203 HG11 VAL 25 1HG1 VAL 25 9.636 9.454 0.617 204 HG12 VAL 25 2HG1 VAL 25 9.458 9.817 2.334 205 HG13 VAL 25 3HG1 VAL 25 8.867 8.283 1.690 206 HG21 VAL 25 3HG2 VAL 25 12.092 9.864 0.764 207 HG22 VAL 25 1HG2 VAL 25 13.082 8.948 1.899 208 HG23 VAL 25 2HG2 VAL 25 11.993 10.203 2.492 209 H THR 26 H THR 26 8.817 7.863 4.532 210 HA THR 26 HA THR 26 8.133 5.061 4.399 211 HB THR 26 HB THR 26 6.543 7.419 5.437 212 HG1 THR 26 HG1 THR 26 8.519 6.768 6.594 213 HG21 THR 26 3HG2 THR 26 5.122 5.741 6.541 214 HG22 THR 26 1HG2 THR 26 6.003 4.455 5.714 215 HG23 THR 26 2HG2 THR 26 5.040 5.603 4.784 216 H TRP 27 H TRP 27 7.259 4.157 2.657 217 HA TRP 27 HA TRP 27 5.298 5.707 1.077 218 HB2 TRP 27 2HB TRP 27 7.199 3.515 0.235 219 HB3 TRP 27 3HB TRP 27 5.820 3.986 -0.750 220 HD1 TRP 27 HD1 TRP 27 9.178 5.364 0.529 221 HE1 TRP 27 HE1 TRP 27 9.869 7.329 -0.986 222 HE3 TRP 27 HE3 TRP 27 4.941 5.736 -2.303 223 HZ2 TRP 27 HZ2 TRP 27 8.762 8.845 -3.090 224 HZ3 TRP 27 HZ3 TRP 27 4.832 7.475 -4.042 225 HH2 TRP 27 HH2 TRP 27 6.705 8.998 -4.426 226 H TYR 28 H TYR 28 3.259 4.967 0.913 227 HA TYR 28 HA TYR 28 2.553 2.579 2.447 228 HB2 TYR 28 2HB TYR 28 0.795 4.726 1.225 229 HB3 TYR 28 3HB TYR 28 0.240 3.424 2.269 230 HD1 TYR 28 HD2 TYR 28 2.371 6.464 2.181 231 HD2 TYR 28 HD1 TYR 28 0.332 3.643 4.638 232 HE1 TYR 28 HE2 TYR 28 2.774 7.887 4.145 233 HE2 TYR 28 HE1 TYR 28 0.729 5.065 6.605 234 HH TYR 28 HH TYR 28 1.858 8.289 6.350 235 H GLN 29 H GLN 29 2.447 0.701 1.376 236 HA GLN 29 HA GLN 29 1.604 0.653 -1.443 237 HB2 GLN 29 2HB GLN 29 2.923 -1.473 0.259 238 HB3 GLN 29 3HB GLN 29 2.435 -1.697 -1.414 239 HG2 GLN 29 2HG GLN 29 3.975 0.176 -2.024 240 HG3 GLN 29 3HG GLN 29 4.557 0.157 -0.359 241 HE21 GLN 29 1HE2 GLN 29 5.983 -0.401 -2.839 242 HE22 GLN 29 2HE2 GLN 29 6.625 -1.996 -2.670 243 H LEU 30 H LEU 30 -0.362 -0.084 -2.002 244 HA LEU 30 HA LEU 30 -2.074 -1.318 0.008 245 HB2 LEU 30 2HB LEU 30 -2.997 0.387 -1.513 246 HB3 LEU 30 3HB LEU 30 -2.632 -0.642 -2.888 247 HG LEU 30 HG LEU 30 -4.216 -2.346 -2.003 248 HD11 LEU 30 1HD1 LEU 30 -4.099 -1.779 0.363 249 HD12 LEU 30 2HD1 LEU 30 -5.765 -1.728 -0.209 250 HD13 LEU 30 3HD1 LEU 30 -4.875 -0.226 0.045 251 HD21 LEU 30 3HD2 LEU 30 -5.401 0.404 -2.410 252 HD22 LEU 30 1HD2 LEU 30 -6.269 -1.125 -2.554 253 HD23 LEU 30 2HD2 LEU 30 -4.968 -0.740 -3.680 254 H ARG 31 H ARG 31 -1.606 -3.413 0.390 255 HA ARG 31 HA ARG 31 -1.259 -5.218 -1.928 256 HB2 ARG 31 2HB ARG 31 -0.354 -5.587 0.941 257 HB3 ARG 31 3HB ARG 31 -0.142 -6.767 -0.346 258 HG2 ARG 31 2HG ARG 31 1.283 -5.154 -1.561 259 HG3 ARG 31 3HG ARG 31 1.104 -4.019 -0.222 260 HD2 ARG 31 2HD ARG 31 2.164 -5.618 1.293 261 HD3 ARG 31 3HD ARG 31 2.299 -6.790 -0.018 262 HE ARG 31 HE ARG 31 3.609 -4.251 -0.497 263 HH11 ARG 31 1HH1 ARG 31 3.920 -7.467 0.690 264 HH12 ARG 31 2HH1 ARG 31 5.638 -7.488 0.509 265 HH21 ARG 31 1HH2 ARG 31 5.828 -4.290 -0.721 266 HH22 ARG 31 2HH2 ARG 31 6.708 -5.713 -0.269 267 H ALA 32 H ALA 32 -2.295 -7.313 -1.841 268 HA ALA 32 HA ALA 32 -4.577 -7.481 0.033 269 HB1 ALA 32 3HB ALA 32 -5.373 -6.707 -2.161 270 HB2 ALA 32 1HB ALA 32 -6.004 -8.304 -1.760 271 HB3 ALA 32 2HB ALA 32 -4.682 -8.144 -2.915 272 H ASP 33 H ASP 33 -5.044 -9.496 0.851 273 HA ASP 33 HA ASP 33 -3.017 -11.446 0.902 274 HB2 ASP 33 2HB ASP 33 -5.935 -11.780 1.633 275 HB3 ASP 33 3HB ASP 33 -4.611 -12.820 2.151 276 H HIS 34 H HIS 34 -5.677 -11.036 -1.291 277 HA HIS 34 HA HIS 34 -5.001 -13.604 -2.577 278 HB2 HIS 34 2HB HIS 34 -7.715 -12.277 -2.410 279 HB3 HIS 34 3HB HIS 34 -7.357 -13.686 -3.405 280 HD1 HIS 34 HD1 HIS 34 -7.213 -15.954 -2.222 281 HD2 HIS 34 HD2 HIS 34 -7.778 -12.773 0.391 282 HE1 HIS 34 HE1 HIS 34 -7.743 -16.993 -0.004 283 HE2 HIS 34 HE2 HIS 34 -7.960 -15.060 1.583 284 HA PRO 35 HA PRO 35 -5.187 -14.656 -4.728 285 HB2 PRO 35 2HB PRO 35 -2.712 -14.285 -6.313 286 HB3 PRO 35 3HB PRO 35 -4.175 -15.195 -6.708 287 HG2 PRO 35 2HG PRO 35 -3.599 -12.888 -7.937 288 HG3 PRO 35 3HG PRO 35 -5.270 -13.329 -7.534 289 HD2 PRO 35 2HD PRO 35 -3.410 -11.451 -6.106 290 HD3 PRO 35 3HD PRO 35 -5.130 -11.243 -6.499 291 H LYS 36 H LYS 36 -2.230 -12.682 -4.321 292 HA LYS 36 HA LYS 36 -1.521 -14.352 -1.999 293 HB2 LYS 36 2HB LYS 36 0.389 -13.555 -4.217 294 HB3 LYS 36 3HB LYS 36 0.887 -14.247 -2.679 295 HG2 LYS 36 2HG LYS 36 -0.425 -16.275 -3.200 296 HG3 LYS 36 3HG LYS 36 -0.821 -15.579 -4.774 297 HD2 LYS 36 2HD LYS 36 1.552 -15.525 -5.362 298 HD3 LYS 36 3HD LYS 36 1.973 -16.170 -3.772 299 HE2 LYS 36 2HE LYS 36 0.688 -18.214 -4.288 300 HE3 LYS 36 3HE LYS 36 0.336 -17.572 -5.892 301 HZ1 LYS 36 3HZ LYS 36 3.064 -18.101 -4.846 302 HZ2 LYS 36 1HZ LYS 36 2.665 -17.609 -6.413 303 HZ3 LYS 36 2HZ LYS 36 2.207 -19.140 -5.867 304 HA PRO 37 HA PRO 37 -1.059 -10.567 0.241 305 HB2 PRO 37 2HB PRO 37 1.506 -11.769 1.223 306 HB3 PRO 37 3HB PRO 37 0.184 -11.035 2.142 307 HG2 PRO 37 2HG PRO 37 0.423 -13.670 2.061 308 HG3 PRO 37 3HG PRO 37 -1.181 -12.920 1.929 309 HD2 PRO 37 2HD PRO 37 0.531 -14.131 -0.212 310 HD3 PRO 37 3HD PRO 37 -1.233 -14.184 -0.014 311 H ASP 38 H ASP 38 1.579 -11.704 -1.758 312 HA ASP 38 HA ASP 38 3.029 -9.197 -1.703 313 HB2 ASP 38 2HB ASP 38 3.399 -11.655 -3.436 314 HB3 ASP 38 3HB ASP 38 4.524 -10.302 -3.317 315 H SER 39 H SER 39 0.159 -9.752 -2.949 316 HA SER 39 HA SER 39 0.502 -8.795 -5.658 317 HB2 SER 39 2HB SER 39 -2.024 -9.175 -4.016 318 HB3 SER 39 3HB SER 39 -1.985 -8.749 -5.725 319 HG SER 39 HG SER 39 -0.711 -11.069 -4.722 320 H LEU 40 H LEU 40 1.311 -6.775 -5.754 321 HA LEU 40 HA LEU 40 0.335 -4.666 -4.010 322 HB2 LEU 40 2HB LEU 40 2.705 -4.757 -4.472 323 HB3 LEU 40 3HB LEU 40 2.415 -4.701 -6.200 324 HG LEU 40 HG LEU 40 1.563 -2.400 -5.990 325 HD11 LEU 40 1HD1 LEU 40 2.298 -2.671 -3.075 326 HD12 LEU 40 2HD1 LEU 40 0.671 -2.496 -3.731 327 HD13 LEU 40 3HD1 LEU 40 1.827 -1.174 -3.880 328 HD21 LEU 40 3HD2 LEU 40 3.929 -2.773 -6.464 329 HD22 LEU 40 1HD2 LEU 40 4.282 -2.786 -4.737 330 HD23 LEU 40 2HD2 LEU 40 3.691 -1.313 -5.507 331 H ILE 41 H ILE 41 -1.477 -3.592 -4.495 332 HA ILE 41 HA ILE 41 -2.565 -3.489 -7.159 333 HB ILE 41 HB ILE 41 -3.419 -1.947 -4.694 334 HG12 ILE 41 2HG1 ILE 41 -3.544 -4.366 -4.310 335 HG13 ILE 41 3HG1 ILE 41 -5.160 -3.684 -4.449 336 HG21 ILE 41 1HG2 ILE 41 -4.244 -0.915 -6.728 337 HG22 ILE 41 2HG2 ILE 41 -5.573 -1.689 -5.869 338 HG23 ILE 41 3HG2 ILE 41 -4.874 -2.461 -7.292 339 HD11 ILE 41 3HD1 ILE 41 -4.975 -5.824 -5.601 340 HD12 ILE 41 1HD1 ILE 41 -3.690 -5.169 -6.618 341 HD13 ILE 41 2HD1 ILE 41 -5.323 -4.518 -6.734 342 H SER 42 H SER 42 -1.343 -0.972 -4.913 343 HA SER 42 HA SER 42 0.038 0.445 -6.985 344 HB2 SER 42 2HB SER 42 -2.521 1.657 -5.898 345 HB3 SER 42 3HB SER 42 -1.284 2.596 -6.735 346 HG SER 42 HG SER 42 -1.728 0.625 -8.333 347 H GLU 43 H GLU 43 1.329 2.190 -6.187 348 HA GLU 43 HA GLU 43 1.689 2.179 -3.264 349 HB2 GLU 43 2HB GLU 43 3.490 3.179 -5.483 350 HB3 GLU 43 3HB GLU 43 3.857 3.317 -3.769 351 HG2 GLU 43 2HG GLU 43 3.887 0.901 -3.556 352 HG3 GLU 43 3HG GLU 43 3.458 0.725 -5.258 353 H HIS 44 H HIS 44 1.807 4.104 -2.058 354 HA HIS 44 HA HIS 44 1.253 6.657 -3.374 355 HB2 HIS 44 2HB HIS 44 -0.543 5.416 -1.281 356 HB3 HIS 44 3HB HIS 44 -0.525 7.145 -1.605 357 HD1 HIS 44 HD1 HIS 44 -1.271 7.857 -4.085 358 HD2 HIS 44 HD2 HIS 44 -2.152 3.953 -2.953 359 HE1 HIS 44 HE1 HIS 44 -3.010 7.064 -5.704 360 HE2 HIS 44 HE2 HIS 44 -3.681 4.796 -4.864 361 HA PRO 45 HA PRO 45 4.086 7.992 -0.175 362 HB2 PRO 45 2HB PRO 45 3.824 10.670 -0.413 363 HB3 PRO 45 3HB PRO 45 4.650 9.691 -1.632 364 HG2 PRO 45 2HG PRO 45 1.845 10.758 -1.643 365 HG3 PRO 45 3HG PRO 45 3.038 10.737 -2.957 366 HD2 PRO 45 2HD PRO 45 1.026 8.910 -2.752 367 HD3 PRO 45 3HD PRO 45 2.595 8.537 -3.495 368 H THR 46 H THR 46 0.702 8.992 -0.158 369 HA THR 46 HA THR 46 0.917 9.602 2.733 370 HB THR 46 HB THR 46 -1.016 11.030 2.564 371 HG1 THR 46 HG1 THR 46 -1.192 10.779 -0.228 372 HG21 THR 46 3HG2 THR 46 0.875 11.615 0.275 373 HG22 THR 46 1HG2 THR 46 1.133 12.057 1.963 374 HG23 THR 46 2HG2 THR 46 -0.193 12.782 1.055 375 H ALA 47 H ALA 47 -0.708 8.850 4.136 376 HA ALA 47 HA ALA 47 -1.622 6.231 3.666 377 HB1 ALA 47 3HB ALA 47 -2.713 6.409 5.824 378 HB2 ALA 47 1HB ALA 47 -2.532 8.164 5.793 379 HB3 ALA 47 2HB ALA 47 -1.106 7.132 5.890 380 H GLN 48 H GLN 48 -3.388 9.333 3.660 381 HA GLN 48 HA GLN 48 -5.976 8.378 3.418 382 HB2 GLN 48 2HB GLN 48 -5.434 10.745 3.773 383 HB3 GLN 48 3HB GLN 48 -4.808 10.856 2.134 384 HG2 GLN 48 2HG GLN 48 -7.057 11.815 2.341 385 HG3 GLN 48 3HG GLN 48 -7.008 10.461 1.215 386 HE21 GLN 48 1HE2 GLN 48 -8.084 8.567 1.736 387 HE22 GLN 48 2HE2 GLN 48 -9.221 8.462 3.029 388 H GLU 49 H GLU 49 -3.629 8.974 0.801 389 HA GLU 49 HA GLU 49 -5.294 8.262 -1.352 390 HB2 GLU 49 2HB GLU 49 -2.302 8.006 -1.021 391 HB3 GLU 49 3HB GLU 49 -3.141 7.721 -2.536 392 HG2 GLU 49 2HG GLU 49 -3.921 10.044 -2.539 393 HG3 GLU 49 3HG GLU 49 -3.056 10.327 -1.024 394 H ALA 50 H ALA 50 -3.163 6.262 0.683 395 HA ALA 50 HA ALA 50 -3.560 3.818 -0.673 396 HB1 ALA 50 3HB ALA 50 -2.903 4.288 2.238 397 HB2 ALA 50 1HB ALA 50 -1.740 4.181 0.917 398 HB3 ALA 50 2HB ALA 50 -2.698 2.769 1.365 399 H MET 51 H MET 51 -5.262 5.253 2.111 400 HA MET 51 HA MET 51 -7.130 3.175 2.521 401 HB2 MET 51 2HB MET 51 -7.484 6.137 3.042 402 HB3 MET 51 3HB MET 51 -8.440 4.842 3.751 403 HG2 MET 51 2HG MET 51 -6.474 4.013 4.920 404 HG3 MET 51 3HG MET 51 -5.491 5.276 4.179 405 HE1 MET 51 3HE MET 51 -5.685 6.446 7.917 406 HE2 MET 51 1HE MET 51 -4.617 6.065 6.567 407 HE3 MET 51 2HE MET 51 -5.570 4.788 7.326 408 H ASP 52 H ASP 52 -7.168 6.019 0.440 409 HA ASP 52 HA ASP 52 -9.810 5.832 -0.512 410 HB2 ASP 52 2HB ASP 52 -8.424 7.834 -0.799 411 HB3 ASP 52 3HB ASP 52 -7.332 6.947 -1.859 412 H ALA 53 H ALA 53 -6.764 4.674 -1.972 413 HA ALA 53 HA ALA 53 -7.853 3.320 -4.157 414 HB1 ALA 53 3HB ALA 53 -5.363 2.579 -2.613 415 HB2 ALA 53 1HB ALA 53 -5.451 3.797 -3.886 416 HB3 ALA 53 2HB ALA 53 -5.751 2.102 -4.266 417 H LYS 54 H LYS 54 -7.179 2.130 -0.871 418 HA LYS 54 HA LYS 54 -7.954 -0.525 -1.160 419 HB2 LYS 54 2HB LYS 54 -6.903 0.326 0.875 420 HB3 LYS 54 3HB LYS 54 -8.318 1.308 1.226 421 HG2 LYS 54 2HG LYS 54 -9.656 -0.698 1.564 422 HG3 LYS 54 3HG LYS 54 -8.272 -1.708 1.140 423 HD2 LYS 54 2HD LYS 54 -7.043 -0.874 3.076 424 HD3 LYS 54 3HD LYS 54 -8.380 0.202 3.486 425 HE2 LYS 54 2HE LYS 54 -8.506 -2.817 3.425 426 HE3 LYS 54 3HE LYS 54 -8.363 -1.825 4.874 427 HZ1 LYS 54 3HZ LYS 54 -10.638 -1.766 2.968 428 HZ2 LYS 54 1HZ LYS 54 -10.503 -0.836 4.372 429 HZ3 LYS 54 2HZ LYS 54 -10.648 -2.518 4.481 430 H LYS 55 H LYS 55 -9.986 2.265 -0.250 431 HA LYS 55 HA LYS 55 -12.425 0.893 -0.080 432 HB2 LYS 55 2HB LYS 55 -11.753 3.773 -0.660 433 HB3 LYS 55 3HB LYS 55 -13.418 3.210 -0.599 434 HG2 LYS 55 2HG LYS 55 -13.056 2.431 1.710 435 HG3 LYS 55 3HG LYS 55 -11.405 3.050 1.642 436 HD2 LYS 55 2HD LYS 55 -13.000 4.576 2.791 437 HD3 LYS 55 3HD LYS 55 -12.198 5.308 1.400 438 HE2 LYS 55 2HE LYS 55 -14.612 5.838 1.523 439 HE3 LYS 55 3HE LYS 55 -14.167 5.001 0.039 440 HZ1 LYS 55 3HZ LYS 55 -15.368 3.695 2.417 441 HZ2 LYS 55 1HZ LYS 55 -15.041 2.966 0.926 442 HZ3 LYS 55 2HZ LYS 55 -16.223 4.166 1.040 443 H ARG 56 H ARG 56 -10.705 2.101 -2.911 444 HA ARG 56 HA ARG 56 -12.914 1.761 -4.712 445 HB2 ARG 56 2HB ARG 56 -9.953 1.791 -5.366 446 HB3 ARG 56 3HB ARG 56 -11.270 1.988 -6.513 447 HG2 ARG 56 2HG ARG 56 -11.918 4.079 -5.343 448 HG3 ARG 56 3HG ARG 56 -10.507 3.890 -4.300 449 HD2 ARG 56 2HD ARG 56 -9.105 3.837 -6.408 450 HD3 ARG 56 3HD ARG 56 -10.553 4.325 -7.287 451 HE ARG 56 HE ARG 56 -9.731 6.015 -5.065 452 HH11 ARG 56 1HH1 ARG 56 -9.835 5.535 -8.479 453 HH12 ARG 56 2HH1 ARG 56 -9.341 7.155 -8.826 454 HH21 ARG 56 1HH2 ARG 56 -9.132 8.073 -5.519 455 HH22 ARG 56 2HH2 ARG 56 -8.964 8.589 -7.162 456 H TYR 57 H TYR 57 -10.148 -0.245 -3.761 457 HA TYR 57 HA TYR 57 -10.671 -2.436 -5.470 458 HB2 TYR 57 2HB TYR 57 -8.538 -2.103 -4.256 459 HB3 TYR 57 3HB TYR 57 -9.354 -2.423 -2.732 460 HD1 TYR 57 HD1 TYR 57 -8.635 -4.009 -6.038 461 HD2 TYR 57 HD2 TYR 57 -9.382 -4.609 -1.888 462 HE1 TYR 57 HE1 TYR 57 -8.150 -6.404 -6.301 463 HE2 TYR 57 HE2 TYR 57 -8.891 -7.005 -2.144 464 HH TYR 57 HH TYR 57 -7.382 -8.315 -4.817 465 H GLU 58 H GLU 58 -11.924 -1.529 -2.316 466 HA GLU 58 HA GLU 58 -13.488 -3.926 -1.958 467 HB2 GLU 58 2HB GLU 58 -13.643 -1.256 -0.539 468 HB3 GLU 58 3HB GLU 58 -14.463 -2.728 -0.035 469 HG2 GLU 58 2HG GLU 58 -12.273 -3.811 0.287 470 HG3 GLU 58 3HG GLU 58 -11.481 -2.297 -0.149 471 H ASP 59 H ASP 59 -14.043 -0.712 -3.261 472 HA ASP 59 HA ASP 59 -16.795 -1.475 -3.995 473 HB2 ASP 59 2HB ASP 59 -16.778 0.024 -1.991 474 HB3 ASP 59 3HB ASP 59 -15.965 1.248 -2.956 475 HA PRO 60 HA PRO 60 -14.740 0.381 -7.677 476 HB2 PRO 60 2HB PRO 60 -14.313 -1.885 -9.116 477 HB3 PRO 60 3HB PRO 60 -13.208 -1.313 -7.863 478 HG2 PRO 60 2HG PRO 60 -14.941 -3.657 -7.843 479 HG3 PRO 60 3HG PRO 60 -13.641 -3.227 -6.722 480 HD2 PRO 60 2HD PRO 60 -16.545 -2.842 -6.440 481 HD3 PRO 60 3HD PRO 60 -15.275 -2.774 -5.198 482 H ASP 61 H ASP 61 -16.676 1.399 -8.375 483 HA ASP 61 HA ASP 61 -18.639 -0.110 -9.879 484 HB2 ASP 61 2HB ASP 61 -18.221 2.834 -9.361 485 HB3 ASP 61 3HB ASP 61 -19.434 2.257 -10.499 486 H LYS 62 H LYS 62 -15.563 0.686 -10.527 487 HA LYS 62 HA LYS 62 -15.840 1.526 -13.288 488 HB2 LYS 62 2HB LYS 62 -13.382 0.699 -11.719 489 HB3 LYS 62 3HB LYS 62 -13.375 1.443 -13.312 490 HG2 LYS 62 2HG LYS 62 -14.443 2.734 -10.804 491 HG3 LYS 62 3HG LYS 62 -12.845 3.021 -11.493 492 HD2 LYS 62 2HD LYS 62 -15.461 3.557 -12.912 493 HD3 LYS 62 3HD LYS 62 -14.492 4.779 -12.089 494 HE2 LYS 62 2HE LYS 62 -12.619 4.304 -13.619 495 HE3 LYS 62 3HE LYS 62 -13.618 3.113 -14.455 496 HZ1 LYS 62 3HZ LYS 62 -14.145 6.028 -14.272 497 HZ2 LYS 62 1HZ LYS 62 -15.168 4.907 -15.015 498 HZ3 LYS 62 2HZ LYS 62 -13.624 5.186 -15.645 499 H GLU 63 H GLU 63 -15.268 0.303 -15.103 500 HA GLU 63 HA GLU 63 -14.783 -1.473 -16.428 501 HB2 GLU 63 2HB GLU 63 -13.763 -2.810 -13.913 502 HB3 GLU 63 3HB GLU 63 -13.426 -3.308 -15.567 503 HG2 GLU 63 2HG GLU 63 -12.180 -1.291 -15.978 504 HG3 GLU 63 3HG GLU 63 -12.623 -0.646 -14.398 505 H LEU 64 H LEU 64 -17.276 -1.428 -14.437 506 HA LEU 64 HA LEU 64 -18.168 -4.117 -14.294 507 HB2 LEU 64 2HB LEU 64 -19.744 -1.534 -14.360 508 HB3 LEU 64 3HB LEU 64 -20.449 -3.108 -14.031 509 HG LEU 64 HG LEU 64 -18.359 -1.721 -12.330 510 HD11 LEU 64 1HD1 LEU 64 -20.517 -0.642 -12.116 511 HD12 LEU 64 2HD1 LEU 64 -20.164 -1.571 -10.659 512 HD13 LEU 64 3HD1 LEU 64 -21.304 -2.199 -11.849 513 HD21 LEU 64 3HD2 LEU 64 -18.071 -4.135 -12.253 514 HD22 LEU 64 1HD2 LEU 64 -19.787 -4.354 -11.905 515 HD23 LEU 64 2HD2 LEU 64 -18.743 -3.551 -10.733 516 H GLU 65 H GLU 65 -20.025 -5.031 -15.540 517 HA GLU 65 HA GLU 65 -19.326 -4.884 -18.320 518 HB2 GLU 65 2HB GLU 65 -20.989 -6.731 -18.595 519 HB3 GLU 65 3HB GLU 65 -19.713 -7.059 -17.433 520 HG2 GLU 65 2HG GLU 65 -21.216 -6.630 -15.589 521 HG3 GLU 65 3HG GLU 65 -22.496 -6.157 -16.707 522 H HIS 66 H HIS 66 -20.012 -2.933 -19.182 523 HA HIS 66 HA HIS 66 -22.854 -2.295 -19.210 524 HB2 HIS 66 2HB HIS 66 -22.242 -0.418 -20.662 525 HB3 HIS 66 3HB HIS 66 -21.199 -0.459 -19.249 526 HD1 HIS 66 HD1 HIS 66 -18.699 -0.744 -19.644 527 HD2 HIS 66 HD2 HIS 66 -20.951 -1.087 -23.119 528 HE1 HIS 66 HE1 HIS 66 -17.042 -0.728 -21.526 529 HE2 HIS 66 HE2 HIS 66 -18.411 -1.125 -23.593 530 H HIS 67 H HIS 67 -24.293 -2.856 -20.843 531 HA HIS 67 HA HIS 67 -23.228 -4.050 -23.288 532 HB2 HIS 67 2HB HIS 67 -24.594 -6.123 -22.983 533 HB3 HIS 67 3HB HIS 67 -23.259 -5.965 -21.850 534 HD1 HIS 67 HD1 HIS 67 -26.959 -6.167 -22.023 535 HD2 HIS 67 HD2 HIS 67 -24.034 -5.486 -19.155 536 HE1 HIS 67 HE1 HIS 67 -28.114 -6.428 -19.811 537 HE2 HIS 67 HE2 HIS 67 -26.284 -6.211 -18.106 538 H HIS 68 H HIS 68 -24.224 -2.092 -24.086 539 HA HIS 68 HA HIS 68 -25.723 -1.151 -25.488 540 HB2 HIS 68 2HB HIS 68 -27.272 -3.739 -25.251 541 HB3 HIS 68 3HB HIS 68 -27.452 -2.523 -26.511 542 HD1 HIS 68 HD1 HIS 68 -25.827 -5.647 -25.884 543 HD2 HIS 68 HD2 HIS 68 -24.854 -2.207 -27.998 544 HE1 HIS 68 HE1 HIS 68 -24.020 -6.331 -27.486 545 HE2 HIS 68 HE2 HIS 68 -23.621 -4.289 -28.899 546 H HIS 69 H HIS 69 -27.891 -3.056 -23.361 547 HA HIS 69 HA HIS 69 -29.972 -1.228 -23.275 548 HB2 HIS 69 2HB HIS 69 -30.079 -3.608 -22.550 549 HB3 HIS 69 3HB HIS 69 -29.193 -3.181 -21.091 550 HD1 HIS 69 HD1 HIS 69 -32.558 -2.949 -22.682 551 HD2 HIS 69 HD2 HIS 69 -30.707 -1.818 -19.142 552 HE1 HIS 69 HE1 HIS 69 -34.415 -2.303 -21.131 553 HE2 HIS 69 HE2 HIS 69 -33.252 -1.385 -19.105 554 H HIS 70 H HIS 70 -29.599 0.877 -22.811 555 HA HIS 70 HA HIS 70 -27.979 1.726 -20.565 556 HB2 HIS 70 2HB HIS 70 -29.761 3.334 -22.414 557 HB3 HIS 70 3HB HIS 70 -28.639 4.010 -21.239 558 HD1 HIS 70 HD1 HIS 70 -26.054 3.645 -21.761 559 HD2 HIS 70 HD2 HIS 70 -28.671 2.710 -24.850 560 HE1 HIS 70 HE1 HIS 70 -24.644 3.559 -23.836 561 HE2 HIS 70 HE2 HIS 70 -26.267 3.125 -25.707 562 H HIS 71 H HIS 71 -31.390 2.293 -21.462 563 HA HIS 71 HA HIS 71 -32.052 2.784 -18.641 564 HB2 HIS 71 2HB HIS 71 -32.729 4.505 -20.241 565 HB3 HIS 71 3HB HIS 71 -33.628 3.316 -21.173 566 HD1 HIS 71 HD1 HIS 71 -33.759 5.247 -17.949 567 HD2 HIS 71 HD2 HIS 71 -36.174 2.733 -20.218 568 HE1 HIS 71 HE1 HIS 71 -36.046 5.401 -16.926 569 HE2 HIS 71 HE2 HIS 71 -37.443 3.758 -18.214 Start of MODEL 17 1 H1 MET 1 1H MET 1 -30.311 -13.958 -8.832 2 H2 MET 1 2H MET 1 -30.371 -12.616 -7.813 3 H3 MET 1 3H MET 1 -31.051 -14.085 -7.318 4 HA MET 1 HA MET 1 -28.170 -13.581 -7.819 5 HB2 MET 1 2HB MET 1 -29.642 -14.066 -5.213 6 HB3 MET 1 3HB MET 1 -27.903 -13.875 -5.387 7 HG2 MET 1 2HG MET 1 -28.266 -11.575 -6.194 8 HG3 MET 1 3HG MET 1 -29.998 -11.779 -5.921 9 HE1 MET 1 3HE MET 1 -29.115 -9.414 -2.968 10 HE2 MET 1 1HE MET 1 -30.210 -9.732 -4.315 11 HE3 MET 1 2HE MET 1 -28.515 -9.358 -4.626 12 HA PRO 2 HA PRO 2 -27.961 -18.100 -7.887 13 HB2 PRO 2 2HB PRO 2 -25.298 -18.417 -7.806 14 HB3 PRO 2 3HB PRO 2 -26.094 -17.740 -9.234 15 HG2 PRO 2 2HG PRO 2 -24.673 -16.311 -7.006 16 HG3 PRO 2 3HG PRO 2 -24.553 -16.045 -8.757 17 HD2 PRO 2 2HD PRO 2 -26.118 -14.521 -7.097 18 HD3 PRO 2 3HD PRO 2 -26.474 -14.771 -8.818 19 H THR 3 H THR 3 -27.336 -19.871 -6.439 20 HA THR 3 HA THR 3 -27.582 -19.176 -3.673 21 HB THR 3 HB THR 3 -27.325 -21.607 -3.216 22 HG1 THR 3 HG1 THR 3 -26.978 -23.034 -4.894 23 HG21 THR 3 3HG2 THR 3 -29.344 -22.351 -4.413 24 HG22 THR 3 1HG2 THR 3 -29.233 -20.942 -5.469 25 HG23 THR 3 2HG2 THR 3 -29.539 -20.731 -3.744 26 H LYS 4 H LYS 4 -26.079 -18.903 -2.145 27 HA LYS 4 HA LYS 4 -24.103 -18.735 -1.056 28 HB2 LYS 4 2HB LYS 4 -23.295 -21.009 -2.877 29 HB3 LYS 4 3HB LYS 4 -22.321 -20.426 -1.535 30 HG2 LYS 4 2HG LYS 4 -25.103 -21.569 -1.282 31 HG3 LYS 4 3HG LYS 4 -23.605 -22.454 -0.986 32 HD2 LYS 4 2HD LYS 4 -23.032 -20.843 0.799 33 HD3 LYS 4 3HD LYS 4 -24.568 -20.015 0.523 34 HE2 LYS 4 2HE LYS 4 -25.775 -22.064 1.120 35 HE3 LYS 4 3HE LYS 4 -24.243 -22.895 1.383 36 HZ1 LYS 4 3HZ LYS 4 -25.291 -20.587 2.931 37 HZ2 LYS 4 1HZ LYS 4 -23.752 -21.262 3.137 38 HZ3 LYS 4 2HZ LYS 4 -25.130 -22.183 3.467 39 HA PRO 5 HA PRO 5 -22.253 -15.973 -4.232 40 HB2 PRO 5 2HB PRO 5 -21.942 -13.845 -2.589 41 HB3 PRO 5 3HB PRO 5 -23.492 -14.234 -3.345 42 HG2 PRO 5 2HG PRO 5 -22.538 -14.851 -0.564 43 HG3 PRO 5 3HG PRO 5 -24.105 -14.202 -1.088 44 HD2 PRO 5 2HD PRO 5 -23.730 -16.828 -0.494 45 HD3 PRO 5 3HD PRO 5 -24.898 -16.278 -1.714 46 HA PRO 6 HA PRO 6 -17.967 -16.575 -3.129 47 HB2 PRO 6 2HB PRO 6 -17.318 -13.989 -4.403 48 HB3 PRO 6 3HB PRO 6 -16.814 -15.620 -4.855 49 HG2 PRO 6 2HG PRO 6 -18.589 -14.238 -6.324 50 HG3 PRO 6 3HG PRO 6 -18.712 -15.997 -6.125 51 HD2 PRO 6 2HD PRO 6 -20.249 -13.817 -4.736 52 HD3 PRO 6 3HD PRO 6 -20.832 -15.362 -5.400 53 H TYR 7 H TYR 7 -16.222 -15.728 -1.832 54 HA TYR 7 HA TYR 7 -17.021 -14.203 0.403 55 HB2 TYR 7 2HB TYR 7 -14.662 -14.302 1.095 56 HB3 TYR 7 3HB TYR 7 -15.231 -15.870 0.533 57 HD1 TYR 7 HD1 TYR 7 -13.056 -12.996 -0.268 58 HD2 TYR 7 HD2 TYR 7 -14.288 -16.901 -1.442 59 HE1 TYR 7 HE1 TYR 7 -11.169 -13.115 -1.838 60 HE2 TYR 7 HE2 TYR 7 -12.404 -17.025 -3.010 61 HH TYR 7 HH TYR 7 -10.924 -15.494 -4.243 62 HA PRO 8 HA PRO 8 -16.359 -10.005 -0.928 63 HB2 PRO 8 2HB PRO 8 -15.782 -8.816 1.450 64 HB3 PRO 8 3HB PRO 8 -17.408 -9.349 1.011 65 HG2 PRO 8 2HG PRO 8 -15.361 -10.732 2.717 66 HG3 PRO 8 3HG PRO 8 -17.098 -10.516 3.011 67 HD2 PRO 8 2HD PRO 8 -16.080 -12.826 2.048 68 HD3 PRO 8 3HD PRO 8 -17.682 -12.231 1.565 69 H ARG 9 H ARG 9 -14.720 -8.454 -1.316 70 HA ARG 9 HA ARG 9 -12.049 -9.549 -1.347 71 HB2 ARG 9 2HB ARG 9 -12.933 -8.324 -3.284 72 HB3 ARG 9 3HB ARG 9 -13.087 -6.872 -2.307 73 HG2 ARG 9 2HG ARG 9 -11.119 -6.699 -3.680 74 HG3 ARG 9 3HG ARG 9 -10.632 -6.855 -1.993 75 HD2 ARG 9 2HD ARG 9 -9.212 -8.234 -3.404 76 HD3 ARG 9 3HD ARG 9 -10.194 -9.255 -2.353 77 HE ARG 9 HE ARG 9 -11.600 -9.735 -4.273 78 HH11 ARG 9 1HH1 ARG 9 -8.498 -8.360 -4.935 79 HH12 ARG 9 2HH1 ARG 9 -8.519 -8.868 -6.586 80 HH21 ARG 9 1HH2 ARG 9 -11.587 -10.391 -6.383 81 HH22 ARG 9 2HH2 ARG 9 -10.242 -9.993 -7.397 82 H GLU 10 H GLU 10 -10.233 -8.791 -0.280 83 HA GLU 10 HA GLU 10 -10.626 -6.694 1.763 84 HB2 GLU 10 2HB GLU 10 -9.251 -7.967 3.315 85 HB3 GLU 10 3HB GLU 10 -10.612 -8.949 2.779 86 HG2 GLU 10 2HG GLU 10 -9.058 -9.991 1.088 87 HG3 GLU 10 3HG GLU 10 -7.735 -9.163 1.907 88 H ALA 11 H ALA 11 -8.899 -5.313 2.145 89 HA ALA 11 HA ALA 11 -6.349 -5.777 0.784 90 HB1 ALA 11 3HB ALA 11 -7.664 -4.479 -0.828 91 HB2 ALA 11 1HB ALA 11 -6.307 -3.540 -0.207 92 HB3 ALA 11 2HB ALA 11 -7.938 -3.235 0.392 93 H TYR 12 H TYR 12 -4.604 -4.443 1.617 94 HA TYR 12 HA TYR 12 -5.127 -2.926 4.051 95 HB2 TYR 12 2HB TYR 12 -3.538 -4.261 5.402 96 HB3 TYR 12 3HB TYR 12 -4.947 -5.196 4.913 97 HD1 TYR 12 HD1 TYR 12 -4.721 -6.886 3.071 98 HD2 TYR 12 HD2 TYR 12 -1.336 -4.902 4.732 99 HE1 TYR 12 HE1 TYR 12 -3.248 -8.603 2.110 100 HE2 TYR 12 HE2 TYR 12 0.140 -6.616 3.774 101 HH TYR 12 HH TYR 12 -0.871 -8.816 1.425 102 H ILE 13 H ILE 13 -3.152 -1.874 4.908 103 HA ILE 13 HA ILE 13 -1.421 -1.051 2.676 104 HB ILE 13 HB ILE 13 -1.988 0.340 5.302 105 HG12 ILE 13 2HG1 ILE 13 -2.934 0.975 2.488 106 HG13 ILE 13 3HG1 ILE 13 -3.926 0.304 3.780 107 HG21 ILE 13 1HG2 ILE 13 -0.409 1.288 2.907 108 HG22 ILE 13 2HG2 ILE 13 0.244 0.873 4.493 109 HG23 ILE 13 3HG2 ILE 13 -0.822 2.267 4.316 110 HD11 ILE 13 3HD1 ILE 13 -4.322 2.682 3.484 111 HD12 ILE 13 1HD1 ILE 13 -2.621 3.016 3.801 112 HD13 ILE 13 2HD1 ILE 13 -3.643 2.343 5.073 113 H VAL 14 H VAL 14 0.755 -1.271 2.726 114 HA VAL 14 HA VAL 14 2.030 -2.265 5.209 115 HB VAL 14 HB VAL 14 2.835 -2.872 2.345 116 HG11 VAL 14 1HG1 VAL 14 4.787 -2.703 3.813 117 HG12 VAL 14 2HG1 VAL 14 4.513 -4.375 3.325 118 HG13 VAL 14 3HG1 VAL 14 4.052 -3.841 4.944 119 HG21 VAL 14 3HG2 VAL 14 0.822 -4.074 3.018 120 HG22 VAL 14 1HG2 VAL 14 1.635 -4.661 4.469 121 HG23 VAL 14 2HG2 VAL 14 2.181 -5.184 2.876 122 H THR 15 H THR 15 3.582 -0.992 6.045 123 HA THR 15 HA THR 15 4.381 1.416 4.611 124 HB THR 15 HB THR 15 5.542 2.012 6.750 125 HG1 THR 15 HG1 THR 15 5.926 -0.153 7.486 126 HG21 THR 15 3HG2 THR 15 3.500 2.363 8.066 127 HG22 THR 15 1HG2 THR 15 2.642 1.196 7.057 128 HG23 THR 15 2HG2 THR 15 3.219 2.708 6.358 129 H ILE 16 H ILE 16 6.092 1.359 3.269 130 HA ILE 16 HA ILE 16 8.375 -0.394 3.960 131 HB ILE 16 HB ILE 16 8.984 -0.449 1.616 132 HG12 ILE 16 2HG1 ILE 16 6.512 1.212 1.044 133 HG13 ILE 16 3HG1 ILE 16 8.143 1.874 1.099 134 HG21 ILE 16 1HG2 ILE 16 7.076 -1.706 0.723 135 HG22 ILE 16 2HG2 ILE 16 6.045 -1.050 1.996 136 HG23 ILE 16 3HG2 ILE 16 7.388 -2.120 2.409 137 HD11 ILE 16 3HD1 ILE 16 7.458 1.476 -1.179 138 HD12 ILE 16 1HD1 ILE 16 7.137 -0.218 -0.814 139 HD13 ILE 16 2HD1 ILE 16 8.786 0.399 -0.748 140 H GLU 17 H GLU 17 10.494 0.397 3.043 141 HA GLU 17 HA GLU 17 10.805 3.290 3.565 142 HB2 GLU 17 2HB GLU 17 13.134 2.702 4.271 143 HB3 GLU 17 3HB GLU 17 11.883 2.015 5.300 144 HG2 GLU 17 2HG GLU 17 12.209 -0.150 4.449 145 HG3 GLU 17 3HG GLU 17 13.100 0.439 3.048 146 H LYS 18 H LYS 18 11.415 4.474 1.838 147 HA LYS 18 HA LYS 18 13.213 3.219 -0.152 148 HB2 LYS 18 2HB LYS 18 11.155 5.400 -0.577 149 HB3 LYS 18 3HB LYS 18 12.360 4.942 -1.775 150 HG2 LYS 18 2HG LYS 18 11.411 2.617 -1.708 151 HG3 LYS 18 3HG LYS 18 10.108 3.250 -0.699 152 HD2 LYS 18 2HD LYS 18 9.450 4.785 -2.486 153 HD3 LYS 18 3HD LYS 18 10.787 4.215 -3.490 154 HE2 LYS 18 2HE LYS 18 9.781 1.932 -3.417 155 HE3 LYS 18 3HE LYS 18 8.402 2.612 -2.555 156 HZ1 LYS 18 3HZ LYS 18 9.286 3.365 -5.293 157 HZ2 LYS 18 1HZ LYS 18 7.967 4.035 -4.466 158 HZ3 LYS 18 2HZ LYS 18 7.942 2.403 -4.912 159 H GLY 19 H GLY 19 14.793 4.696 -1.168 160 HA2 GLY 19 2HA GLY 19 16.081 6.709 -1.161 161 HA3 GLY 19 3HA GLY 19 15.477 7.063 0.449 162 H LYS 20 H LYS 20 17.440 7.355 1.440 163 HA LYS 20 HA LYS 20 19.532 5.321 1.144 164 HB2 LYS 20 2HB LYS 20 19.598 8.021 2.519 165 HB3 LYS 20 3HB LYS 20 20.980 6.960 2.273 166 HG2 LYS 20 2HG LYS 20 20.811 7.223 -0.124 167 HG3 LYS 20 3HG LYS 20 19.344 8.187 0.057 168 HD2 LYS 20 2HD LYS 20 20.661 9.874 1.319 169 HD3 LYS 20 3HD LYS 20 22.118 8.923 1.010 170 HE2 LYS 20 2HE LYS 20 21.879 10.792 -0.568 171 HE3 LYS 20 3HE LYS 20 21.843 9.229 -1.381 172 HZ1 LYS 20 3HZ LYS 20 20.138 10.624 -2.281 173 HZ2 LYS 20 1HZ LYS 20 19.506 10.947 -0.743 174 HZ3 LYS 20 2HZ LYS 20 19.397 9.393 -1.395 175 HA PRO 21 HA PRO 21 18.899 3.357 5.112 176 HB2 PRO 21 2HB PRO 21 21.870 3.505 5.384 177 HB3 PRO 21 3HB PRO 21 20.795 2.106 5.506 178 HG2 PRO 21 2HG PRO 21 22.306 2.456 3.342 179 HG3 PRO 21 3HG PRO 21 20.643 1.855 3.195 180 HD2 PRO 21 2HD PRO 21 21.719 4.603 2.665 181 HD3 PRO 21 3HD PRO 21 20.497 3.677 1.765 182 H GLY 22 H GLY 22 18.289 4.347 6.967 183 HA2 GLY 22 2HA GLY 22 18.596 5.671 8.903 184 HA3 GLY 22 3HA GLY 22 19.954 6.470 8.128 185 H GLN 23 H GLN 23 19.006 7.465 5.850 186 HA GLN 23 HA GLN 23 16.902 9.342 6.689 187 HB2 GLN 23 2HB GLN 23 18.860 9.492 4.382 188 HB3 GLN 23 3HB GLN 23 17.668 10.722 4.775 189 HG2 GLN 23 2HG GLN 23 19.949 9.858 6.545 190 HG3 GLN 23 3HG GLN 23 19.904 11.317 5.560 191 HE21 GLN 23 1HE2 GLN 23 18.709 9.758 8.420 192 HE22 GLN 23 2HE2 GLN 23 18.004 11.163 9.128 193 H THR 24 H THR 24 15.454 7.348 6.323 194 HA THR 24 HA THR 24 14.915 6.737 3.515 195 HB THR 24 HB THR 24 13.424 4.977 4.352 196 HG1 THR 24 HG1 THR 24 12.874 4.825 6.435 197 HG21 THR 24 3HG2 THR 24 15.795 4.435 4.123 198 HG22 THR 24 1HG2 THR 24 15.092 3.579 5.496 199 HG23 THR 24 2HG2 THR 24 16.099 5.002 5.767 200 H VAL 25 H VAL 25 12.628 6.532 2.826 201 HA VAL 25 HA VAL 25 10.838 8.560 4.022 202 HB VAL 25 HB VAL 25 11.050 7.841 1.080 203 HG11 VAL 25 1HG1 VAL 25 8.779 8.464 1.717 204 HG12 VAL 25 2HG1 VAL 25 9.508 9.732 0.733 205 HG13 VAL 25 3HG1 VAL 25 9.377 9.936 2.480 206 HG21 VAL 25 3HG2 VAL 25 12.993 9.138 1.837 207 HG22 VAL 25 1HG2 VAL 25 11.913 10.371 2.495 208 HG23 VAL 25 2HG2 VAL 25 11.967 10.084 0.756 209 H THR 26 H THR 26 8.939 7.730 4.715 210 HA THR 26 HA THR 26 8.374 4.931 4.321 211 HB THR 26 HB THR 26 6.742 7.046 5.745 212 HG1 THR 26 HG1 THR 26 8.656 6.705 6.840 213 HG21 THR 26 3HG2 THR 26 6.464 4.031 5.764 214 HG22 THR 26 1HG2 THR 26 5.316 5.177 5.071 215 HG23 THR 26 2HG2 THR 26 5.585 5.142 6.813 216 H TRP 27 H TRP 27 7.451 4.182 2.548 217 HA TRP 27 HA TRP 27 5.257 5.713 1.298 218 HB2 TRP 27 2HB TRP 27 7.209 3.717 0.153 219 HB3 TRP 27 3HB TRP 27 5.701 4.102 -0.671 220 HD1 TRP 27 HD1 TRP 27 9.070 5.677 0.297 221 HE1 TRP 27 HE1 TRP 27 9.428 7.783 -1.140 222 HE3 TRP 27 HE3 TRP 27 4.493 5.905 -1.962 223 HZ2 TRP 27 HZ2 TRP 27 7.963 9.340 -2.976 224 HZ3 TRP 27 HZ3 TRP 27 4.047 7.738 -3.542 225 HH2 TRP 27 HH2 TRP 27 5.748 9.421 -4.039 226 H TYR 28 H TYR 28 3.276 4.767 0.966 227 HA TYR 28 HA TYR 28 2.782 2.349 2.561 228 HB2 TYR 28 2HB TYR 28 0.809 4.346 1.419 229 HB3 TYR 28 3HB TYR 28 0.439 3.053 2.555 230 HD1 TYR 28 HD2 TYR 28 2.219 6.274 2.166 231 HD2 TYR 28 HD1 TYR 28 0.787 3.348 4.908 232 HE1 TYR 28 HE2 TYR 28 2.652 7.815 4.028 233 HE2 TYR 28 HE1 TYR 28 1.217 4.887 6.779 234 HH TYR 28 HH TYR 28 2.597 6.841 7.297 235 H GLN 29 H GLN 29 2.785 0.479 1.453 236 HA GLN 29 HA GLN 29 1.978 0.399 -1.349 237 HB2 GLN 29 2HB GLN 29 3.059 -1.769 0.466 238 HB3 GLN 29 3HB GLN 29 2.657 -1.997 -1.230 239 HG2 GLN 29 2HG GLN 29 4.347 -0.202 -1.757 240 HG3 GLN 29 3HG GLN 29 4.846 -0.294 -0.068 241 HE21 GLN 29 1HE2 GLN 29 6.372 -0.915 -2.472 242 HE22 GLN 29 2HE2 GLN 29 6.869 -2.558 -2.310 243 H LEU 30 H LEU 30 -0.031 -0.099 -1.970 244 HA LEU 30 HA LEU 30 -1.930 -1.261 -0.115 245 HB2 LEU 30 2HB LEU 30 -2.660 0.467 -1.688 246 HB3 LEU 30 3HB LEU 30 -2.197 -0.548 -3.042 247 HG LEU 30 HG LEU 30 -3.926 -2.194 -2.391 248 HD11 LEU 30 1HD1 LEU 30 -4.025 -1.778 -0.008 249 HD12 LEU 30 2HD1 LEU 30 -5.623 -1.574 -0.725 250 HD13 LEU 30 3HD1 LEU 30 -4.666 -0.156 -0.292 251 HD21 LEU 30 3HD2 LEU 30 -4.988 0.608 -2.750 252 HD22 LEU 30 1HD2 LEU 30 -5.864 -0.886 -3.079 253 HD23 LEU 30 2HD2 LEU 30 -4.447 -0.469 -4.038 254 H ARG 31 H ARG 31 -2.012 -3.396 0.233 255 HA ARG 31 HA ARG 31 -1.553 -5.238 -2.038 256 HB2 ARG 31 2HB ARG 31 -0.766 -5.690 0.850 257 HB3 ARG 31 3HB ARG 31 -0.607 -6.868 -0.445 258 HG2 ARG 31 2HG ARG 31 0.992 -5.368 -1.583 259 HG3 ARG 31 3HG ARG 31 0.863 -4.239 -0.228 260 HD2 ARG 31 2HD ARG 31 1.628 -6.044 1.290 261 HD3 ARG 31 3HD ARG 31 1.853 -7.092 -0.107 262 HE ARG 31 HE ARG 31 3.333 -4.741 -0.500 263 HH11 ARG 31 1HH1 ARG 31 3.309 -7.531 1.528 264 HH12 ARG 31 2HH1 ARG 31 5.012 -7.472 1.806 265 HH21 ARG 31 1HH2 ARG 31 5.532 -4.697 -0.137 266 HH22 ARG 31 2HH2 ARG 31 6.257 -5.919 0.852 267 H ALA 32 H ALA 32 -2.598 -7.385 -1.747 268 HA ALA 32 HA ALA 32 -4.865 -7.405 0.132 269 HB1 ALA 32 3HB ALA 32 -5.118 -8.042 -2.812 270 HB2 ALA 32 1HB ALA 32 -5.727 -6.588 -2.019 271 HB3 ALA 32 2HB ALA 32 -6.400 -8.164 -1.606 272 H ASP 33 H ASP 33 -5.328 -9.413 0.983 273 HA ASP 33 HA ASP 33 -3.451 -11.496 0.804 274 HB2 ASP 33 2HB ASP 33 -4.917 -11.227 2.743 275 HB3 ASP 33 3HB ASP 33 -6.326 -11.588 1.751 276 H HIS 34 H HIS 34 -6.523 -10.987 -0.847 277 HA HIS 34 HA HIS 34 -6.024 -13.360 -2.520 278 HB2 HIS 34 2HB HIS 34 -8.565 -11.763 -2.091 279 HB3 HIS 34 3HB HIS 34 -8.415 -13.122 -3.201 280 HD1 HIS 34 HD1 HIS 34 -8.402 -15.476 -2.197 281 HD2 HIS 34 HD2 HIS 34 -8.626 -12.464 0.651 282 HE1 HIS 34 HE1 HIS 34 -8.969 -16.630 -0.047 283 HE2 HIS 34 HE2 HIS 34 -9.052 -14.800 1.675 284 HA PRO 35 HA PRO 35 -6.192 -14.163 -4.509 285 HB2 PRO 35 2HB PRO 35 -4.441 -14.543 -6.513 286 HB3 PRO 35 3HB PRO 35 -6.092 -13.984 -6.809 287 HG2 PRO 35 2HG PRO 35 -3.552 -12.387 -6.672 288 HG3 PRO 35 3HG PRO 35 -4.875 -12.279 -7.848 289 HD2 PRO 35 2HD PRO 35 -4.607 -10.579 -5.723 290 HD3 PRO 35 3HD PRO 35 -6.171 -10.983 -6.458 291 H LYS 36 H LYS 36 -3.207 -12.214 -4.402 292 HA LYS 36 HA LYS 36 -1.973 -14.303 -2.727 293 HB2 LYS 36 2HB LYS 36 -0.562 -12.753 -4.920 294 HB3 LYS 36 3HB LYS 36 0.222 -13.850 -3.793 295 HG2 LYS 36 2HG LYS 36 -1.832 -14.582 -5.877 296 HG3 LYS 36 3HG LYS 36 -0.107 -14.951 -5.917 297 HD2 LYS 36 2HD LYS 36 -0.357 -16.360 -3.923 298 HD3 LYS 36 3HD LYS 36 -2.076 -15.969 -3.858 299 HE2 LYS 36 2HE LYS 36 -1.839 -18.127 -4.863 300 HE3 LYS 36 3HE LYS 36 -2.334 -16.989 -6.115 301 HZ1 LYS 36 3HZ LYS 36 -0.590 -18.455 -6.902 302 HZ2 LYS 36 1HZ LYS 36 0.434 -17.966 -5.649 303 HZ3 LYS 36 2HZ LYS 36 -0.026 -16.866 -6.846 304 HA PRO 37 HA PRO 37 -1.706 -11.175 0.375 305 HB2 PRO 37 2HB PRO 37 0.965 -12.448 0.894 306 HB3 PRO 37 3HB PRO 37 -0.312 -12.004 2.035 307 HG2 PRO 37 2HG PRO 37 -0.021 -14.533 1.285 308 HG3 PRO 37 3HG PRO 37 -1.640 -13.831 1.463 309 HD2 PRO 37 2HD PRO 37 -0.119 -14.482 -1.020 310 HD3 PRO 37 3HD PRO 37 -1.868 -14.531 -0.719 311 H ASP 38 H ASP 38 1.469 -11.712 -1.231 312 HA ASP 38 HA ASP 38 2.286 -8.992 -0.727 313 HB2 ASP 38 2HB ASP 38 3.578 -11.234 -2.294 314 HB3 ASP 38 3HB ASP 38 4.331 -9.664 -2.007 315 H SER 39 H SER 39 -0.073 -9.508 -2.552 316 HA SER 39 HA SER 39 0.639 -8.759 -5.190 317 HB2 SER 39 2HB SER 39 -1.799 -8.167 -5.416 318 HB3 SER 39 3HB SER 39 -1.507 -9.795 -4.806 319 HG SER 39 HG SER 39 -2.380 -9.270 -2.950 320 H LEU 40 H LEU 40 2.065 -6.993 -5.066 321 HA LEU 40 HA LEU 40 1.365 -4.542 -3.782 322 HB2 LEU 40 2HB LEU 40 3.685 -5.063 -4.113 323 HB3 LEU 40 3HB LEU 40 3.466 -5.209 -5.848 324 HG LEU 40 HG LEU 40 3.057 -2.805 -6.032 325 HD11 LEU 40 1HD1 LEU 40 3.357 -1.334 -4.075 326 HD12 LEU 40 2HD1 LEU 40 3.460 -2.761 -3.040 327 HD13 LEU 40 3HD1 LEU 40 1.965 -2.405 -3.906 328 HD21 LEU 40 3HD2 LEU 40 5.366 -3.608 -6.175 329 HD22 LEU 40 1HD2 LEU 40 5.545 -3.416 -4.431 330 HD23 LEU 40 2HD2 LEU 40 5.292 -2.003 -5.453 331 H ILE 41 H ILE 41 -0.481 -3.577 -4.458 332 HA ILE 41 HA ILE 41 -1.219 -3.302 -7.214 333 HB ILE 41 HB ILE 41 -2.219 -1.743 -4.816 334 HG12 ILE 41 2HG1 ILE 41 -2.564 -4.145 -4.487 335 HG13 ILE 41 3HG1 ILE 41 -4.102 -3.345 -4.781 336 HG21 ILE 41 1HG2 ILE 41 -2.763 -0.628 -6.897 337 HG22 ILE 41 2HG2 ILE 41 -4.221 -1.327 -6.194 338 HG23 ILE 41 3HG2 ILE 41 -3.430 -2.121 -7.557 339 HD11 ILE 41 3HD1 ILE 41 -4.068 -4.136 -7.091 340 HD12 ILE 41 1HD1 ILE 41 -3.980 -5.468 -5.937 341 HD13 ILE 41 2HD1 ILE 41 -2.529 -4.945 -6.790 342 H SER 42 H SER 42 -0.030 -0.965 -4.775 343 HA SER 42 HA SER 42 1.688 0.417 -6.537 344 HB2 SER 42 2HB SER 42 -0.306 1.247 -7.640 345 HB3 SER 42 3HB SER 42 -1.017 1.718 -6.097 346 HG SER 42 HG SER 42 1.002 2.946 -7.589 347 H GLU 43 H GLU 43 2.921 2.019 -5.499 348 HA GLU 43 HA GLU 43 2.594 2.249 -2.608 349 HB2 GLU 43 2HB GLU 43 4.728 3.496 -4.367 350 HB3 GLU 43 3HB GLU 43 4.744 3.403 -2.614 351 HG2 GLU 43 2HG GLU 43 6.146 1.681 -3.091 352 HG3 GLU 43 3HG GLU 43 4.617 0.807 -3.085 353 H HIS 44 H HIS 44 1.613 3.926 -1.642 354 HA HIS 44 HA HIS 44 1.136 6.400 -3.184 355 HB2 HIS 44 2HB HIS 44 -0.609 5.049 -1.108 356 HB3 HIS 44 3HB HIS 44 -0.904 6.675 -1.714 357 HD1 HIS 44 HD1 HIS 44 -3.052 6.256 -2.976 358 HD2 HIS 44 HD2 HIS 44 -0.034 3.621 -4.060 359 HE1 HIS 44 HE1 HIS 44 -3.947 4.987 -4.934 360 HE2 HIS 44 HE2 HIS 44 -1.987 3.651 -5.752 361 HA PRO 45 HA PRO 45 3.553 8.597 -0.278 362 HB2 PRO 45 2HB PRO 45 2.376 11.062 -0.283 363 HB3 PRO 45 3HB PRO 45 3.338 10.438 -1.630 364 HG2 PRO 45 2HG PRO 45 0.354 10.472 -1.292 365 HG3 PRO 45 3HG PRO 45 1.324 10.902 -2.715 366 HD2 PRO 45 2HD PRO 45 0.107 8.511 -2.503 367 HD3 PRO 45 3HD PRO 45 1.687 8.685 -3.296 368 H THR 46 H THR 46 0.052 9.013 0.359 369 HA THR 46 HA THR 46 0.688 9.088 3.252 370 HB THR 46 HB THR 46 -1.211 10.496 3.681 371 HG1 THR 46 HG1 THR 46 -2.223 11.293 1.474 372 HG21 THR 46 3HG2 THR 46 0.306 11.569 1.296 373 HG22 THR 46 1HG2 THR 46 0.806 11.685 2.983 374 HG23 THR 46 2HG2 THR 46 -0.637 12.535 2.430 375 H ALA 47 H ALA 47 -0.792 8.039 4.690 376 HA ALA 47 HA ALA 47 -1.774 5.558 3.867 377 HB1 ALA 47 3HB ALA 47 -2.867 5.430 6.043 378 HB2 ALA 47 1HB ALA 47 -2.655 7.166 6.268 379 HB3 ALA 47 2HB ALA 47 -1.248 6.108 6.199 380 H GLN 48 H GLN 48 -3.497 8.630 4.295 381 HA GLN 48 HA GLN 48 -6.088 7.728 3.702 382 HB2 GLN 48 2HB GLN 48 -5.536 9.949 4.686 383 HB3 GLN 48 3HB GLN 48 -4.895 10.459 3.131 384 HG2 GLN 48 2HG GLN 48 -7.615 9.452 2.904 385 HG3 GLN 48 3HG GLN 48 -7.498 10.775 4.057 386 HE21 GLN 48 1HE2 GLN 48 -5.419 10.483 1.244 387 HE22 GLN 48 2HE2 GLN 48 -6.077 11.830 0.399 388 H GLU 49 H GLU 49 -3.513 8.966 1.577 389 HA GLU 49 HA GLU 49 -4.939 8.909 -0.857 390 HB2 GLU 49 2HB GLU 49 -2.432 9.712 -0.105 391 HB3 GLU 49 3HB GLU 49 -2.050 8.253 -0.998 392 HG2 GLU 49 2HG GLU 49 -3.620 10.596 -2.062 393 HG3 GLU 49 3HG GLU 49 -1.924 10.259 -2.395 394 H ALA 50 H ALA 50 -3.209 6.404 0.910 395 HA ALA 50 HA ALA 50 -3.416 4.401 -1.132 396 HB1 ALA 50 3HB ALA 50 -2.904 4.102 1.829 397 HB2 ALA 50 1HB ALA 50 -1.677 4.313 0.582 398 HB3 ALA 50 2HB ALA 50 -2.666 2.852 0.606 399 H MET 51 H MET 51 -5.264 5.147 1.810 400 HA MET 51 HA MET 51 -7.118 3.063 1.747 401 HB2 MET 51 2HB MET 51 -7.343 5.902 2.750 402 HB3 MET 51 3HB MET 51 -8.637 4.728 2.950 403 HG2 MET 51 2HG MET 51 -5.835 4.369 3.988 404 HG3 MET 51 3HG MET 51 -7.197 4.964 4.939 405 HE1 MET 51 3HE MET 51 -6.735 1.383 6.406 406 HE2 MET 51 1HE MET 51 -6.920 3.098 6.777 407 HE3 MET 51 2HE MET 51 -5.486 2.531 5.920 408 H ASP 52 H ASP 52 -7.102 6.115 -0.009 409 HA ASP 52 HA ASP 52 -9.661 6.147 -1.075 410 HB2 ASP 52 2HB ASP 52 -7.933 7.945 -1.278 411 HB3 ASP 52 3HB ASP 52 -7.113 6.972 -2.497 412 H ALA 53 H ALA 53 -6.777 4.490 -2.331 413 HA ALA 53 HA ALA 53 -8.171 3.233 -4.506 414 HB1 ALA 53 3HB ALA 53 -5.485 2.568 -3.295 415 HB2 ALA 53 1HB ALA 53 -5.771 3.702 -4.615 416 HB3 ALA 53 2HB ALA 53 -6.102 1.985 -4.843 417 H LYS 54 H LYS 54 -7.167 2.263 -1.261 418 HA LYS 54 HA LYS 54 -7.706 -0.456 -1.317 419 HB2 LYS 54 2HB LYS 54 -6.575 0.406 0.564 420 HB3 LYS 54 3HB LYS 54 -7.830 1.588 0.891 421 HG2 LYS 54 2HG LYS 54 -9.298 -0.086 1.747 422 HG3 LYS 54 3HG LYS 54 -8.241 -1.384 1.190 423 HD2 LYS 54 2HD LYS 54 -6.651 -0.980 2.845 424 HD3 LYS 54 3HD LYS 54 -7.195 0.675 3.108 425 HE2 LYS 54 2HE LYS 54 -7.754 -0.844 4.977 426 HE3 LYS 54 3HE LYS 54 -9.171 -0.099 4.246 427 HZ1 LYS 54 3HZ LYS 54 -8.225 -2.837 3.624 428 HZ2 LYS 54 1HZ LYS 54 -9.663 -2.128 3.105 429 HZ3 LYS 54 2HZ LYS 54 -9.436 -2.492 4.739 430 H LYS 55 H LYS 55 -9.980 2.159 -0.416 431 HA LYS 55 HA LYS 55 -12.206 0.604 0.157 432 HB2 LYS 55 2HB LYS 55 -11.994 3.370 -1.030 433 HB3 LYS 55 3HB LYS 55 -13.542 2.639 -0.628 434 HG2 LYS 55 2HG LYS 55 -12.776 2.406 1.721 435 HG3 LYS 55 3HG LYS 55 -11.288 3.249 1.283 436 HD2 LYS 55 2HD LYS 55 -12.501 5.246 0.736 437 HD3 LYS 55 3HD LYS 55 -14.050 4.414 0.895 438 HE2 LYS 55 2HE LYS 55 -13.615 5.803 2.844 439 HE3 LYS 55 3HE LYS 55 -13.626 4.099 3.290 440 HZ1 LYS 55 3HZ LYS 55 -11.189 5.726 2.819 441 HZ2 LYS 55 1HZ LYS 55 -11.225 4.109 3.314 442 HZ3 LYS 55 2HZ LYS 55 -11.811 5.322 4.338 443 H ARG 56 H ARG 56 -11.489 2.130 -3.008 444 HA ARG 56 HA ARG 56 -13.650 0.945 -4.368 445 HB2 ARG 56 2HB ARG 56 -11.036 1.995 -5.467 446 HB3 ARG 56 3HB ARG 56 -12.439 1.579 -6.447 447 HG2 ARG 56 2HG ARG 56 -13.745 3.290 -5.181 448 HG3 ARG 56 3HG ARG 56 -12.246 3.769 -4.380 449 HD2 ARG 56 2HD ARG 56 -12.747 5.241 -6.260 450 HD3 ARG 56 3HD ARG 56 -11.261 4.334 -6.547 451 HE ARG 56 HE ARG 56 -13.173 2.822 -7.747 452 HH11 ARG 56 1HH1 ARG 56 -12.294 6.149 -8.008 453 HH12 ARG 56 2HH1 ARG 56 -12.745 6.237 -9.675 454 HH21 ARG 56 1HH2 ARG 56 -13.766 2.965 -9.867 455 HH22 ARG 56 2HH2 ARG 56 -13.575 4.470 -10.711 456 H TYR 57 H TYR 57 -10.475 -0.286 -3.620 457 HA TYR 57 HA TYR 57 -10.499 -2.458 -5.478 458 HB2 TYR 57 2HB TYR 57 -8.420 -1.593 -4.433 459 HB3 TYR 57 3HB TYR 57 -8.968 -2.194 -2.872 460 HD1 TYR 57 HD1 TYR 57 -7.612 -3.131 -6.154 461 HD2 TYR 57 HD2 TYR 57 -8.961 -4.588 -2.384 462 HE1 TYR 57 HE1 TYR 57 -6.605 -5.323 -6.640 463 HE2 TYR 57 HE2 TYR 57 -7.956 -6.774 -2.866 464 HH TYR 57 HH TYR 57 -5.731 -7.311 -5.230 465 H GLU 58 H GLU 58 -11.660 -2.010 -2.195 466 HA GLU 58 HA GLU 58 -12.380 -4.806 -1.872 467 HB2 GLU 58 2HB GLU 58 -12.971 -2.427 -0.094 468 HB3 GLU 58 3HB GLU 58 -13.153 -4.124 0.342 469 HG2 GLU 58 2HG GLU 58 -10.754 -4.463 0.120 470 HG3 GLU 58 3HG GLU 58 -10.549 -2.789 -0.386 471 H ASP 59 H ASP 59 -13.882 -1.881 -2.950 472 HA ASP 59 HA ASP 59 -16.600 -2.796 -2.776 473 HB2 ASP 59 2HB ASP 59 -15.272 -0.595 -4.376 474 HB3 ASP 59 3HB ASP 59 -16.999 -0.918 -4.449 475 HA PRO 60 HA PRO 60 -16.858 -5.125 -6.657 476 HB2 PRO 60 2HB PRO 60 -19.257 -4.288 -7.666 477 HB3 PRO 60 3HB PRO 60 -19.121 -5.425 -6.320 478 HG2 PRO 60 2HG PRO 60 -19.623 -2.468 -6.253 479 HG3 PRO 60 3HG PRO 60 -20.417 -3.754 -5.324 480 HD2 PRO 60 2HD PRO 60 -18.480 -2.212 -4.255 481 HD3 PRO 60 3HD PRO 60 -18.663 -3.923 -3.815 482 H ASP 61 H ASP 61 -16.269 -1.909 -6.471 483 HA ASP 61 HA ASP 61 -16.568 -0.974 -9.131 484 HB2 ASP 61 2HB ASP 61 -16.324 0.475 -7.118 485 HB3 ASP 61 3HB ASP 61 -14.653 -0.055 -6.962 486 H LYS 62 H LYS 62 -13.996 -2.671 -7.417 487 HA LYS 62 HA LYS 62 -11.959 -2.163 -9.353 488 HB2 LYS 62 2HB LYS 62 -11.544 -2.648 -6.941 489 HB3 LYS 62 3HB LYS 62 -12.039 -4.309 -7.223 490 HG2 LYS 62 2HG LYS 62 -9.600 -4.060 -7.166 491 HG3 LYS 62 3HG LYS 62 -10.169 -4.654 -8.726 492 HD2 LYS 62 2HD LYS 62 -8.415 -2.938 -8.976 493 HD3 LYS 62 3HD LYS 62 -9.944 -2.428 -9.692 494 HE2 LYS 62 2HE LYS 62 -10.414 -1.138 -7.607 495 HE3 LYS 62 3HE LYS 62 -8.803 -1.567 -7.031 496 HZ1 LYS 62 3HZ LYS 62 -9.384 -0.052 -9.519 497 HZ2 LYS 62 1HZ LYS 62 -7.845 -0.410 -8.907 498 HZ3 LYS 62 2HZ LYS 62 -8.874 0.634 -8.063 499 H GLU 63 H GLU 63 -10.870 -3.737 -10.671 500 HA GLU 63 HA GLU 63 -12.699 -5.445 -12.101 501 HB2 GLU 63 2HB GLU 63 -9.731 -5.064 -12.559 502 HB3 GLU 63 3HB GLU 63 -10.883 -5.771 -13.681 503 HG2 GLU 63 2HG GLU 63 -10.514 -3.621 -14.494 504 HG3 GLU 63 3HG GLU 63 -12.060 -3.511 -13.658 505 H LEU 64 H LEU 64 -11.970 -7.645 -12.806 506 HA LEU 64 HA LEU 64 -10.504 -9.106 -10.718 507 HB2 LEU 64 2HB LEU 64 -12.106 -10.992 -10.946 508 HB3 LEU 64 3HB LEU 64 -12.800 -9.558 -10.223 509 HG LEU 64 HG LEU 64 -13.197 -10.231 -13.144 510 HD11 LEU 64 1HD1 LEU 64 -14.025 -12.107 -11.841 511 HD12 LEU 64 2HD1 LEU 64 -15.368 -11.184 -12.511 512 HD13 LEU 64 3HD1 LEU 64 -14.942 -11.009 -10.808 513 HD21 LEU 64 3HD2 LEU 64 -14.705 -8.456 -11.218 514 HD22 LEU 64 1HD2 LEU 64 -15.184 -8.787 -12.883 515 HD23 LEU 64 2HD2 LEU 64 -13.686 -7.924 -12.551 516 H GLU 65 H GLU 65 -8.825 -8.720 -12.391 517 HA GLU 65 HA GLU 65 -9.061 -10.093 -14.915 518 HB2 GLU 65 2HB GLU 65 -6.609 -8.839 -13.657 519 HB3 GLU 65 3HB GLU 65 -6.812 -9.279 -15.349 520 HG2 GLU 65 2HG GLU 65 -8.315 -7.130 -13.855 521 HG3 GLU 65 3HG GLU 65 -7.067 -6.889 -15.077 522 H HIS 66 H HIS 66 -9.453 -12.248 -14.169 523 HA HIS 66 HA HIS 66 -7.315 -13.617 -12.719 524 HB2 HIS 66 2HB HIS 66 -9.717 -13.925 -12.103 525 HB3 HIS 66 3HB HIS 66 -9.993 -14.682 -13.667 526 HD1 HIS 66 HD1 HIS 66 -9.837 -17.157 -13.653 527 HD2 HIS 66 HD2 HIS 66 -7.671 -15.460 -10.540 528 HE1 HIS 66 HE1 HIS 66 -8.963 -19.087 -12.312 529 HE2 HIS 66 HE2 HIS 66 -7.867 -18.029 -10.317 530 H HIS 67 H HIS 67 -7.354 -12.782 -15.759 531 HA HIS 67 HA HIS 67 -6.352 -15.388 -16.732 532 HB2 HIS 67 2HB HIS 67 -7.818 -13.265 -18.318 533 HB3 HIS 67 3HB HIS 67 -7.040 -14.676 -19.026 534 HD1 HIS 67 HD1 HIS 67 -8.262 -16.910 -18.853 535 HD2 HIS 67 HD2 HIS 67 -10.199 -13.819 -16.865 536 HE1 HIS 67 HE1 HIS 67 -10.526 -17.809 -18.260 537 HE2 HIS 67 HE2 HIS 67 -11.748 -15.850 -17.265 538 H HIS 68 H HIS 68 -4.186 -15.181 -16.558 539 HA HIS 68 HA HIS 68 -2.871 -13.193 -18.255 540 HB2 HIS 68 2HB HIS 68 -2.192 -13.575 -15.322 541 HB3 HIS 68 3HB HIS 68 -1.168 -12.718 -16.469 542 HD1 HIS 68 HD1 HIS 68 -3.513 -12.035 -13.938 543 HD2 HIS 68 HD2 HIS 68 -2.855 -10.489 -17.735 544 HE1 HIS 68 HE1 HIS 68 -4.618 -9.784 -13.944 545 HE2 HIS 68 HE2 HIS 68 -4.386 -8.970 -16.312 546 H HIS 69 H HIS 69 -0.546 -13.730 -18.605 547 HA HIS 69 HA HIS 69 0.076 -16.577 -18.106 548 HB2 HIS 69 2HB HIS 69 0.892 -14.986 -20.559 549 HB3 HIS 69 3HB HIS 69 1.215 -16.693 -20.260 550 HD1 HIS 69 HD1 HIS 69 -1.004 -14.613 -22.087 551 HD2 HIS 69 HD2 HIS 69 -1.454 -18.145 -19.939 552 HE1 HIS 69 HE1 HIS 69 -3.160 -15.616 -22.886 553 HE2 HIS 69 HE2 HIS 69 -3.382 -17.782 -21.629 554 H HIS 70 H HIS 70 1.472 -16.421 -16.424 555 HA HIS 70 HA HIS 70 3.954 -14.902 -16.825 556 HB2 HIS 70 2HB HIS 70 2.030 -14.608 -14.541 557 HB3 HIS 70 3HB HIS 70 3.752 -14.427 -14.230 558 HD1 HIS 70 HD1 HIS 70 4.803 -12.238 -14.824 559 HD2 HIS 70 HD2 HIS 70 0.960 -12.619 -16.359 560 HE1 HIS 70 HE1 HIS 70 4.211 -9.973 -15.726 561 HE2 HIS 70 HE2 HIS 70 1.856 -10.199 -16.572 562 H HIS 71 H HIS 71 5.712 -16.076 -16.398 563 HA HIS 71 HA HIS 71 5.479 -18.457 -14.674 564 HB2 HIS 71 2HB HIS 71 7.476 -17.675 -16.800 565 HB3 HIS 71 3HB HIS 71 7.804 -18.970 -15.656 566 HD1 HIS 71 HD1 HIS 71 6.391 -18.426 -18.919 567 HD2 HIS 71 HD2 HIS 71 5.667 -21.036 -15.774 568 HE1 HIS 71 HE1 HIS 71 5.143 -20.359 -19.923 569 HE2 HIS 71 HE2 HIS 71 4.948 -22.023 -18.048 Start of MODEL 18 1 H1 MET 1 1H MET 1 -31.242 -12.458 10.419 2 H2 MET 1 2H MET 1 -32.459 -13.618 10.577 3 H3 MET 1 3H MET 1 -32.337 -12.711 9.156 4 HA MET 1 HA MET 1 -30.334 -14.657 10.144 5 HB2 MET 1 2HB MET 1 -32.269 -14.821 7.816 6 HB3 MET 1 3HB MET 1 -31.019 -16.004 8.179 7 HG2 MET 1 2HG MET 1 -32.107 -16.530 10.291 8 HG3 MET 1 3HG MET 1 -33.343 -15.315 9.969 9 HE1 MET 1 3HE MET 1 -34.075 -18.302 10.718 10 HE2 MET 1 1HE MET 1 -35.348 -18.633 9.543 11 HE3 MET 1 2HE MET 1 -35.274 -17.063 10.346 12 HA PRO 2 HA PRO 2 -27.469 -12.539 7.514 13 HB2 PRO 2 2HB PRO 2 -25.777 -14.541 6.788 14 HB3 PRO 2 3HB PRO 2 -25.828 -13.875 8.427 15 HG2 PRO 2 2HG PRO 2 -27.101 -16.373 7.359 16 HG3 PRO 2 3HG PRO 2 -26.216 -16.131 8.877 17 HD2 PRO 2 2HD PRO 2 -28.929 -16.168 8.762 18 HD3 PRO 2 3HD PRO 2 -28.039 -15.178 9.936 19 H THR 3 H THR 3 -27.608 -11.816 5.468 20 HA THR 3 HA THR 3 -29.017 -13.296 3.440 21 HB THR 3 HB THR 3 -28.390 -11.357 1.946 22 HG1 THR 3 HG1 THR 3 -27.709 -9.639 3.885 23 HG21 THR 3 3HG2 THR 3 -30.517 -11.393 3.155 24 HG22 THR 3 1HG2 THR 3 -29.870 -9.753 3.082 25 HG23 THR 3 2HG2 THR 3 -29.738 -10.685 4.573 26 H LYS 4 H LYS 4 -25.685 -12.836 4.299 27 HA LYS 4 HA LYS 4 -23.841 -14.029 3.714 28 HB2 LYS 4 2HB LYS 4 -25.807 -15.660 2.093 29 HB3 LYS 4 3HB LYS 4 -24.121 -16.096 2.343 30 HG2 LYS 4 2HG LYS 4 -24.441 -16.578 4.593 31 HG3 LYS 4 3HG LYS 4 -25.918 -15.620 4.693 32 HD2 LYS 4 2HD LYS 4 -26.349 -18.055 4.769 33 HD3 LYS 4 3HD LYS 4 -27.130 -17.267 3.398 34 HE2 LYS 4 2HE LYS 4 -25.327 -18.045 1.926 35 HE3 LYS 4 3HE LYS 4 -24.538 -18.822 3.299 36 HZ1 LYS 4 3HZ LYS 4 -27.235 -19.496 2.258 37 HZ2 LYS 4 1HZ LYS 4 -26.460 -20.249 3.559 38 HZ3 LYS 4 2HZ LYS 4 -25.828 -20.395 1.997 39 HA PRO 5 HA PRO 5 -23.128 -11.713 -0.199 40 HB2 PRO 5 2HB PRO 5 -20.578 -11.027 1.081 41 HB3 PRO 5 3HB PRO 5 -21.845 -9.955 0.480 42 HG2 PRO 5 2HG PRO 5 -21.332 -10.256 3.119 43 HG3 PRO 5 3HG PRO 5 -22.960 -9.924 2.499 44 HD2 PRO 5 2HD PRO 5 -21.762 -12.538 3.375 45 HD3 PRO 5 3HD PRO 5 -23.380 -11.873 3.703 46 HA PRO 6 HA PRO 6 -20.524 -14.952 -1.840 47 HB2 PRO 6 2HB PRO 6 -19.865 -13.876 -4.236 48 HB3 PRO 6 3HB PRO 6 -21.500 -14.437 -3.869 49 HG2 PRO 6 2HG PRO 6 -20.406 -11.643 -3.816 50 HG3 PRO 6 3HG PRO 6 -21.941 -12.232 -4.487 51 HD2 PRO 6 2HD PRO 6 -21.758 -11.038 -2.042 52 HD3 PRO 6 3HD PRO 6 -22.973 -12.275 -2.425 53 H TYR 7 H TYR 7 -19.062 -13.948 0.063 54 HA TYR 7 HA TYR 7 -16.996 -13.485 0.850 55 HB2 TYR 7 2HB TYR 7 -16.213 -15.263 -0.585 56 HB3 TYR 7 3HB TYR 7 -16.161 -14.183 -1.974 57 HD1 TYR 7 HD1 TYR 7 -14.837 -14.012 1.541 58 HD2 TYR 7 HD2 TYR 7 -13.982 -13.718 -2.623 59 HE1 TYR 7 HE1 TYR 7 -12.498 -13.460 2.064 60 HE2 TYR 7 HE2 TYR 7 -11.641 -13.172 -2.107 61 HH TYR 7 HH TYR 7 -10.364 -13.415 1.126 62 HA PRO 8 HA PRO 8 -16.883 -9.103 -0.458 63 HB2 PRO 8 2HB PRO 8 -16.215 -8.623 2.356 64 HB3 PRO 8 3HB PRO 8 -17.592 -8.034 1.424 65 HG2 PRO 8 2HG PRO 8 -17.852 -9.876 3.395 66 HG3 PRO 8 3HG PRO 8 -18.906 -9.847 1.968 67 HD2 PRO 8 2HD PRO 8 -16.530 -11.600 2.534 68 HD3 PRO 8 3HD PRO 8 -18.108 -12.030 1.831 69 H ARG 9 H ARG 9 -14.995 -8.770 -1.550 70 HA ARG 9 HA ARG 9 -12.460 -9.708 -0.712 71 HB2 ARG 9 2HB ARG 9 -13.357 -7.797 -2.858 72 HB3 ARG 9 3HB ARG 9 -11.646 -8.020 -2.531 73 HG2 ARG 9 2HG ARG 9 -12.274 -9.415 -4.377 74 HG3 ARG 9 3HG ARG 9 -11.904 -10.441 -2.994 75 HD2 ARG 9 2HD ARG 9 -14.272 -10.773 -2.567 76 HD3 ARG 9 3HD ARG 9 -14.690 -9.653 -3.865 77 HE ARG 9 HE ARG 9 -13.129 -11.612 -5.027 78 HH11 ARG 9 1HH1 ARG 9 -16.123 -11.548 -3.316 79 HH12 ARG 9 2HH1 ARG 9 -16.763 -12.901 -4.168 80 HH21 ARG 9 1HH2 ARG 9 -13.976 -13.341 -6.121 81 HH22 ARG 9 2HH2 ARG 9 -15.561 -13.912 -5.733 82 H GLU 10 H GLU 10 -10.786 -8.743 0.347 83 HA GLU 10 HA GLU 10 -11.124 -5.970 1.259 84 HB2 GLU 10 2HB GLU 10 -11.881 -7.404 3.077 85 HB3 GLU 10 3HB GLU 10 -10.393 -8.337 3.003 86 HG2 GLU 10 2HG GLU 10 -9.112 -6.404 3.729 87 HG3 GLU 10 3HG GLU 10 -10.571 -5.416 3.737 88 H ALA 11 H ALA 11 -9.218 -4.832 1.725 89 HA ALA 11 HA ALA 11 -6.672 -6.116 0.924 90 HB1 ALA 11 3HB ALA 11 -7.464 -4.578 -0.819 91 HB2 ALA 11 1HB ALA 11 -5.979 -3.992 -0.068 92 HB3 ALA 11 2HB ALA 11 -7.530 -3.270 0.366 93 H TYR 12 H TYR 12 -4.745 -4.664 1.728 94 HA TYR 12 HA TYR 12 -5.325 -3.234 4.200 95 HB2 TYR 12 2HB TYR 12 -3.607 -4.541 5.478 96 HB3 TYR 12 3HB TYR 12 -5.058 -5.449 5.078 97 HD1 TYR 12 HD2 TYR 12 -1.454 -5.101 4.446 98 HD2 TYR 12 HD1 TYR 12 -4.977 -7.303 3.494 99 HE1 TYR 12 HE2 TYR 12 -0.076 -6.875 3.447 100 HE2 TYR 12 HE1 TYR 12 -3.602 -9.080 2.500 101 HH TYR 12 HH TYR 12 -1.406 -9.411 1.555 102 H ILE 13 H ILE 13 -3.570 -1.951 4.989 103 HA ILE 13 HA ILE 13 -1.777 -1.095 2.812 104 HB ILE 13 HB ILE 13 -2.598 0.402 5.320 105 HG12 ILE 13 2HG1 ILE 13 -3.547 0.783 2.462 106 HG13 ILE 13 3HG1 ILE 13 -4.479 -0.003 3.732 107 HG21 ILE 13 1HG2 ILE 13 -1.111 1.352 2.867 108 HG22 ILE 13 2HG2 ILE 13 -0.421 1.106 4.471 109 HG23 ILE 13 3HG2 ILE 13 -1.629 2.365 4.217 110 HD11 ILE 13 3HD1 ILE 13 -3.597 2.874 3.684 111 HD12 ILE 13 1HD1 ILE 13 -4.471 2.100 5.005 112 HD13 ILE 13 2HD1 ILE 13 -5.231 2.266 3.422 113 H VAL 14 H VAL 14 0.408 -1.121 3.024 114 HA VAL 14 HA VAL 14 1.558 -1.924 5.633 115 HB VAL 14 HB VAL 14 2.629 -2.599 2.877 116 HG11 VAL 14 1HG1 VAL 14 4.411 -2.343 4.518 117 HG12 VAL 14 2HG1 VAL 14 4.216 -4.043 4.088 118 HG13 VAL 14 3HG1 VAL 14 3.582 -3.440 5.622 119 HG21 VAL 14 3HG2 VAL 14 0.586 -3.849 3.376 120 HG22 VAL 14 1HG2 VAL 14 1.270 -4.376 4.914 121 HG23 VAL 14 2HG2 VAL 14 1.992 -4.914 3.395 122 H THR 15 H THR 15 3.289 -0.774 6.408 123 HA THR 15 HA THR 15 4.091 1.631 4.903 124 HB THR 15 HB THR 15 4.959 2.491 7.039 125 HG1 THR 15 HG1 THR 15 5.471 0.394 7.958 126 HG21 THR 15 3HG2 THR 15 2.827 2.748 8.224 127 HG22 THR 15 1HG2 THR 15 2.139 1.423 7.284 128 HG23 THR 15 2HG2 THR 15 2.611 2.922 6.482 129 H ILE 16 H ILE 16 5.965 1.526 3.805 130 HA ILE 16 HA ILE 16 8.181 -0.089 4.937 131 HB ILE 16 HB ILE 16 9.008 -0.478 2.679 132 HG12 ILE 16 2HG1 ILE 16 6.515 0.950 1.706 133 HG13 ILE 16 3HG1 ILE 16 8.136 1.640 1.684 134 HG21 ILE 16 1HG2 ILE 16 7.467 -2.118 3.604 135 HG22 ILE 16 2HG2 ILE 16 7.231 -1.977 1.861 136 HG23 ILE 16 3HG2 ILE 16 6.092 -1.213 2.970 137 HD11 ILE 16 3HD1 ILE 16 7.247 -0.810 0.179 138 HD12 ILE 16 1HD1 ILE 16 8.864 -0.105 0.150 139 HD13 ILE 16 2HD1 ILE 16 7.495 0.799 -0.498 140 H GLU 17 H GLU 17 10.379 0.661 4.171 141 HA GLU 17 HA GLU 17 10.511 3.615 4.011 142 HB2 GLU 17 2HB GLU 17 12.512 1.683 5.212 143 HB3 GLU 17 3HB GLU 17 12.734 3.422 5.093 144 HG2 GLU 17 2HG GLU 17 10.845 3.784 6.587 145 HG3 GLU 17 3HG GLU 17 10.568 2.044 6.677 146 H LYS 18 H LYS 18 11.376 4.438 2.188 147 HA LYS 18 HA LYS 18 13.386 2.850 0.720 148 HB2 LYS 18 2HB LYS 18 11.029 4.344 -0.437 149 HB3 LYS 18 3HB LYS 18 12.428 3.896 -1.407 150 HG2 LYS 18 2HG LYS 18 12.027 1.521 -0.835 151 HG3 LYS 18 3HG LYS 18 10.573 2.007 0.044 152 HD2 LYS 18 2HD LYS 18 9.547 2.815 -1.978 153 HD3 LYS 18 3HD LYS 18 11.043 2.579 -2.887 154 HE2 LYS 18 2HE LYS 18 10.876 0.158 -2.550 155 HE3 LYS 18 3HE LYS 18 9.398 0.381 -1.618 156 HZ1 LYS 18 3HZ LYS 18 8.298 1.225 -3.564 157 HZ2 LYS 18 1HZ LYS 18 8.980 -0.277 -3.929 158 HZ3 LYS 18 2HZ LYS 18 9.720 1.147 -4.471 159 H GLY 19 H GLY 19 14.696 4.238 -0.827 160 HA2 GLY 19 2HA GLY 19 15.631 6.355 -1.399 161 HA3 GLY 19 3HA GLY 19 14.975 7.026 0.084 162 H LYS 20 H LYS 20 16.761 7.798 1.101 163 HA LYS 20 HA LYS 20 19.283 6.423 1.103 164 HB2 LYS 20 2HB LYS 20 18.279 8.804 2.679 165 HB3 LYS 20 3HB LYS 20 19.935 8.213 2.744 166 HG2 LYS 20 2HG LYS 20 18.540 9.216 0.264 167 HG3 LYS 20 3HG LYS 20 19.672 10.145 1.250 168 HD2 LYS 20 2HD LYS 20 21.424 8.476 0.776 169 HD3 LYS 20 3HD LYS 20 20.289 7.590 -0.244 170 HE2 LYS 20 2HE LYS 20 20.115 9.497 -1.747 171 HE3 LYS 20 3HE LYS 20 21.186 10.437 -0.708 172 HZ1 LYS 20 3HZ LYS 20 22.417 9.549 -2.551 173 HZ2 LYS 20 1HZ LYS 20 21.904 7.975 -2.202 174 HZ3 LYS 20 2HZ LYS 20 22.932 8.787 -1.133 175 HA PRO 21 HA PRO 21 18.867 3.602 4.522 176 HB2 PRO 21 2HB PRO 21 21.514 4.684 5.403 177 HB3 PRO 21 3HB PRO 21 21.012 3.008 5.154 178 HG2 PRO 21 2HG PRO 21 22.559 4.214 3.368 179 HG3 PRO 21 3HG PRO 21 21.243 3.147 2.839 180 HD2 PRO 21 2HD PRO 21 21.371 6.140 2.853 181 HD3 PRO 21 3HD PRO 21 20.645 5.044 1.655 182 H GLY 22 H GLY 22 20.365 6.719 5.500 183 HA2 GLY 22 2HA GLY 22 19.020 6.666 8.073 184 HA3 GLY 22 3HA GLY 22 20.063 7.940 7.464 185 H GLN 23 H GLN 23 18.901 8.860 5.252 186 HA GLN 23 HA GLN 23 16.441 10.066 6.186 187 HB2 GLN 23 2HB GLN 23 18.012 10.468 3.629 188 HB3 GLN 23 3HB GLN 23 16.588 11.396 4.082 189 HG2 GLN 23 2HG GLN 23 19.205 11.319 5.579 190 HG3 GLN 23 3HG GLN 23 18.635 12.626 4.541 191 HE21 GLN 23 1HE2 GLN 23 18.309 11.085 7.633 192 HE22 GLN 23 2HE2 GLN 23 17.303 12.293 8.346 193 H THR 24 H THR 24 15.228 8.032 6.184 194 HA THR 24 HA THR 24 14.535 6.885 3.593 195 HB THR 24 HB THR 24 13.181 5.275 4.812 196 HG1 THR 24 HG1 THR 24 13.135 5.427 7.162 197 HG21 THR 24 3HG2 THR 24 14.912 4.227 6.221 198 HG22 THR 24 1HG2 THR 24 15.853 5.719 6.165 199 HG23 THR 24 2HG2 THR 24 15.568 4.798 4.686 200 H VAL 25 H VAL 25 12.452 6.832 2.723 201 HA VAL 25 HA VAL 25 10.520 8.798 3.789 202 HB VAL 25 HB VAL 25 10.803 7.800 0.936 203 HG11 VAL 25 1HG1 VAL 25 8.489 8.357 1.503 204 HG12 VAL 25 2HG1 VAL 25 9.162 9.526 0.369 205 HG13 VAL 25 3HG1 VAL 25 9.001 9.948 2.074 206 HG21 VAL 25 3HG2 VAL 25 12.661 9.253 1.563 207 HG22 VAL 25 1HG2 VAL 25 11.528 10.486 2.121 208 HG23 VAL 25 2HG2 VAL 25 11.599 10.058 0.410 209 H THR 26 H THR 26 8.577 8.018 4.449 210 HA THR 26 HA THR 26 8.114 5.185 4.457 211 HB THR 26 HB THR 26 6.177 7.364 5.280 212 HG1 THR 26 HG1 THR 26 8.502 6.679 6.410 213 HG21 THR 26 3HG2 THR 26 6.322 4.428 6.006 214 HG22 THR 26 1HG2 THR 26 5.116 5.186 4.961 215 HG23 THR 26 2HG2 THR 26 5.181 5.595 6.675 216 H TRP 27 H TRP 27 7.360 4.114 2.740 217 HA TRP 27 HA TRP 27 5.343 5.401 1.014 218 HB2 TRP 27 2HB TRP 27 7.269 3.129 0.513 219 HB3 TRP 27 3HB TRP 27 5.896 3.434 -0.547 220 HD1 TRP 27 HD1 TRP 27 9.247 4.978 0.521 221 HE1 TRP 27 HE1 TRP 27 9.922 6.745 -1.225 222 HE3 TRP 27 HE3 TRP 27 4.976 5.006 -2.288 223 HZ2 TRP 27 HZ2 TRP 27 8.791 7.986 -3.495 224 HZ3 TRP 27 HZ3 TRP 27 4.850 6.511 -4.233 225 HH2 TRP 27 HH2 TRP 27 6.720 7.971 -4.823 226 H TYR 28 H TYR 28 3.319 4.650 0.922 227 HA TYR 28 HA TYR 28 2.607 2.399 2.658 228 HB2 TYR 28 2HB TYR 28 0.904 4.562 1.388 229 HB3 TYR 28 3HB TYR 28 0.288 3.289 2.440 230 HD1 TYR 28 HD2 TYR 28 2.556 6.236 2.340 231 HD2 TYR 28 HD1 TYR 28 0.417 3.499 4.808 232 HE1 TYR 28 HE2 TYR 28 3.088 7.603 4.310 233 HE2 TYR 28 HE1 TYR 28 0.950 4.865 6.781 234 HH TYR 28 HH TYR 28 2.720 6.490 7.464 235 H GLN 29 H GLN 29 2.415 0.486 1.762 236 HA GLN 29 HA GLN 29 1.810 0.194 -1.088 237 HB2 GLN 29 2HB GLN 29 2.846 -1.767 0.973 238 HB3 GLN 29 3HB GLN 29 2.500 -2.186 -0.698 239 HG2 GLN 29 2HG GLN 29 4.193 -0.561 -1.436 240 HG3 GLN 29 3HG GLN 29 4.566 -0.209 0.251 241 HE21 GLN 29 1HE2 GLN 29 6.229 -1.349 -1.912 242 HE22 GLN 29 2HE2 GLN 29 6.828 -2.842 -1.278 243 H LEU 30 H LEU 30 -0.237 -0.239 -1.686 244 HA LEU 30 HA LEU 30 -2.129 -1.449 0.146 245 HB2 LEU 30 2HB LEU 30 -2.881 0.261 -1.456 246 HB3 LEU 30 3HB LEU 30 -2.406 -0.769 -2.793 247 HG LEU 30 HG LEU 30 -4.104 -2.441 -2.074 248 HD11 LEU 30 1HD1 LEU 30 -4.900 -0.313 -0.086 249 HD12 LEU 30 2HD1 LEU 30 -4.204 -1.889 0.290 250 HD13 LEU 30 3HD1 LEU 30 -5.806 -1.786 -0.437 251 HD21 LEU 30 3HD2 LEU 30 -5.200 0.331 -2.581 252 HD22 LEU 30 1HD2 LEU 30 -6.063 -1.187 -2.833 253 HD23 LEU 30 2HD2 LEU 30 -4.645 -0.806 -3.810 254 H ARG 31 H ARG 31 -1.972 -3.573 0.546 255 HA ARG 31 HA ARG 31 -1.374 -5.405 -1.700 256 HB2 ARG 31 2HB ARG 31 -0.581 -5.677 1.207 257 HB3 ARG 31 3HB ARG 31 -0.342 -6.919 -0.017 258 HG2 ARG 31 2HG ARG 31 1.121 -5.382 -1.268 259 HG3 ARG 31 3HG ARG 31 0.914 -4.178 0.006 260 HD2 ARG 31 2HD ARG 31 1.939 -5.677 1.625 261 HD3 ARG 31 3HD ARG 31 2.076 -6.940 0.401 262 HE ARG 31 HE ARG 31 3.662 -4.477 0.550 263 HH11 ARG 31 1HH1 ARG 31 3.039 -7.517 -0.944 264 HH12 ARG 31 2HH1 ARG 31 4.541 -7.526 -1.799 265 HH21 ARG 31 1HH2 ARG 31 5.592 -4.512 -0.520 266 HH22 ARG 31 2HH2 ARG 31 5.984 -5.853 -1.540 267 H ALA 32 H ALA 32 -2.302 -7.555 -1.549 268 HA ALA 32 HA ALA 32 -4.494 -7.927 0.350 269 HB1 ALA 32 3HB ALA 32 -4.937 -8.112 -2.633 270 HB2 ALA 32 1HB ALA 32 -5.505 -6.801 -1.600 271 HB3 ALA 32 2HB ALA 32 -6.127 -8.436 -1.373 272 H ASP 33 H ASP 33 -5.012 -10.078 0.753 273 HA ASP 33 HA ASP 33 -3.056 -12.048 0.307 274 HB2 ASP 33 2HB ASP 33 -5.968 -12.428 1.053 275 HB3 ASP 33 3HB ASP 33 -4.682 -13.613 1.276 276 H HIS 34 H HIS 34 -5.710 -11.049 -1.651 277 HA HIS 34 HA HIS 34 -5.167 -13.248 -3.534 278 HB2 HIS 34 2HB HIS 34 -7.859 -11.971 -2.972 279 HB3 HIS 34 3HB HIS 34 -7.545 -13.182 -4.213 280 HD1 HIS 34 HD1 HIS 34 -9.109 -13.084 -1.146 281 HD2 HIS 34 HD2 HIS 34 -6.090 -15.516 -2.639 282 HE1 HIS 34 HE1 HIS 34 -9.121 -15.126 0.297 283 HE2 HIS 34 HE2 HIS 34 -7.150 -16.475 -0.483 284 HA PRO 35 HA PRO 35 -5.832 -13.624 -6.063 285 HB2 PRO 35 2HB PRO 35 -3.328 -12.975 -7.538 286 HB3 PRO 35 3HB PRO 35 -4.839 -13.670 -8.133 287 HG2 PRO 35 2HG PRO 35 -4.213 -11.139 -8.675 288 HG3 PRO 35 3HG PRO 35 -5.885 -11.591 -8.288 289 HD2 PRO 35 2HD PRO 35 -3.820 -10.288 -6.537 290 HD3 PRO 35 3HD PRO 35 -5.550 -9.915 -6.706 291 H LYS 36 H LYS 36 -2.450 -12.487 -5.592 292 HA LYS 36 HA LYS 36 -1.935 -14.960 -4.061 293 HB2 LYS 36 2HB LYS 36 0.021 -13.174 -5.532 294 HB3 LYS 36 3HB LYS 36 0.459 -14.604 -4.607 295 HG2 LYS 36 2HG LYS 36 -0.973 -15.953 -6.151 296 HG3 LYS 36 3HG LYS 36 -1.196 -14.501 -7.127 297 HD2 LYS 36 2HD LYS 36 1.228 -14.367 -7.481 298 HD3 LYS 36 3HD LYS 36 1.455 -15.813 -6.494 299 HE2 LYS 36 2HE LYS 36 0.043 -17.073 -8.111 300 HE3 LYS 36 3HE LYS 36 -0.034 -15.628 -9.117 301 HZ1 LYS 36 3HZ LYS 36 2.393 -17.187 -8.419 302 HZ2 LYS 36 1HZ LYS 36 2.421 -15.709 -9.243 303 HZ3 LYS 36 2HZ LYS 36 1.672 -17.054 -9.940 304 HA PRO 37 HA PRO 37 -1.443 -12.849 -0.209 305 HB2 PRO 37 2HB PRO 37 1.142 -14.346 0.018 306 HB3 PRO 37 3HB PRO 37 -0.185 -14.210 1.178 307 HG2 PRO 37 2HG PRO 37 0.117 -16.428 -0.258 308 HG3 PRO 37 3HG PRO 37 -1.504 -15.771 0.049 309 HD2 PRO 37 2HD PRO 37 0.147 -15.668 -2.443 310 HD3 PRO 37 3HD PRO 37 -1.612 -15.834 -2.259 311 H ASP 38 H ASP 38 1.356 -12.906 -2.390 312 HA ASP 38 HA ASP 38 2.452 -10.506 -1.104 313 HB2 ASP 38 2HB ASP 38 4.471 -10.942 -2.393 314 HB3 ASP 38 3HB ASP 38 3.987 -12.391 -1.520 315 H SER 39 H SER 39 0.026 -10.635 -2.954 316 HA SER 39 HA SER 39 0.777 -9.330 -5.391 317 HB2 SER 39 2HB SER 39 -1.293 -10.630 -5.279 318 HB3 SER 39 3HB SER 39 -1.934 -9.542 -4.048 319 HG SER 39 HG SER 39 -2.613 -8.330 -5.609 320 H LEU 40 H LEU 40 1.715 -7.384 -5.317 321 HA LEU 40 HA LEU 40 0.766 -5.325 -3.475 322 HB2 LEU 40 2HB LEU 40 3.159 -5.598 -3.670 323 HB3 LEU 40 3HB LEU 40 3.080 -5.396 -5.410 324 HG LEU 40 HG LEU 40 2.470 -3.050 -5.162 325 HD11 LEU 40 1HD1 LEU 40 2.357 -1.970 -2.981 326 HD12 LEU 40 2HD1 LEU 40 2.617 -3.520 -2.182 327 HD13 LEU 40 3HD1 LEU 40 1.142 -3.242 -3.107 328 HD21 LEU 40 3HD2 LEU 40 4.835 -3.795 -3.435 329 HD22 LEU 40 1HD2 LEU 40 4.542 -2.210 -4.152 330 HD23 LEU 40 2HD2 LEU 40 4.845 -3.604 -5.188 331 H ILE 41 H ILE 41 -0.956 -4.190 -4.092 332 HA ILE 41 HA ILE 41 -1.807 -4.001 -6.819 333 HB ILE 41 HB ILE 41 -2.862 -2.494 -4.412 334 HG12 ILE 41 2HG1 ILE 41 -2.942 -4.918 -4.022 335 HG13 ILE 41 3HG1 ILE 41 -4.563 -4.283 -4.264 336 HG21 ILE 41 1HG2 ILE 41 -3.588 -1.496 -6.499 337 HG22 ILE 41 2HG2 ILE 41 -4.943 -2.327 -5.736 338 HG23 ILE 41 3HG2 ILE 41 -4.112 -3.068 -7.104 339 HD11 ILE 41 3HD1 ILE 41 -4.298 -6.397 -5.391 340 HD12 ILE 41 1HD1 ILE 41 -2.916 -5.775 -6.294 341 HD13 ILE 41 2HD1 ILE 41 -4.525 -5.107 -6.571 342 H SER 42 H SER 42 -0.713 -1.524 -4.462 343 HA SER 42 HA SER 42 0.570 0.046 -6.501 344 HB2 SER 42 2HB SER 42 -1.693 0.720 -7.024 345 HB3 SER 42 3HB SER 42 -2.038 1.043 -5.326 346 HG SER 42 HG SER 42 -0.693 2.581 -7.197 347 H GLU 43 H GLU 43 1.860 1.712 -5.690 348 HA GLU 43 HA GLU 43 2.059 1.891 -2.747 349 HB2 GLU 43 2HB GLU 43 4.135 2.450 -4.884 350 HB3 GLU 43 3HB GLU 43 4.370 2.765 -3.172 351 HG2 GLU 43 2HG GLU 43 4.030 0.340 -2.735 352 HG3 GLU 43 3HG GLU 43 3.958 0.082 -4.478 353 H HIS 44 H HIS 44 1.947 3.860 -1.734 354 HA HIS 44 HA HIS 44 1.817 6.294 -3.381 355 HB2 HIS 44 2HB HIS 44 -0.258 5.461 -1.341 356 HB3 HIS 44 3HB HIS 44 -0.154 7.073 -2.043 357 HD1 HIS 44 HD1 HIS 44 -0.942 7.358 -4.486 358 HD2 HIS 44 HD2 HIS 44 -1.268 3.466 -3.064 359 HE1 HIS 44 HE1 HIS 44 -2.355 6.143 -6.164 360 HE2 HIS 44 HE2 HIS 44 -2.328 3.750 -5.407 361 HA PRO 45 HA PRO 45 4.438 7.839 -0.153 362 HB2 PRO 45 2HB PRO 45 4.302 10.498 -0.674 363 HB3 PRO 45 3HB PRO 45 5.179 9.364 -1.709 364 HG2 PRO 45 2HG PRO 45 2.426 10.512 -2.065 365 HG3 PRO 45 3HG PRO 45 3.719 10.315 -3.265 366 HD2 PRO 45 2HD PRO 45 1.637 8.583 -3.062 367 HD3 PRO 45 3HD PRO 45 3.256 8.073 -3.582 368 H THR 46 H THR 46 1.110 8.963 -0.414 369 HA THR 46 HA THR 46 1.214 9.850 2.411 370 HB THR 46 HB THR 46 -0.698 11.262 2.027 371 HG1 THR 46 HG1 THR 46 -0.777 10.639 -0.725 372 HG21 THR 46 3HG2 THR 46 1.293 11.577 -0.230 373 HG22 THR 46 1HG2 THR 46 1.427 12.268 1.386 374 HG23 THR 46 2HG2 THR 46 0.153 12.816 0.296 375 H ALA 47 H ALA 47 -0.230 9.061 3.885 376 HA ALA 47 HA ALA 47 -1.373 6.531 3.548 377 HB1 ALA 47 3HB ALA 47 -2.464 6.912 5.699 378 HB2 ALA 47 1HB ALA 47 -2.105 8.638 5.588 379 HB3 ALA 47 2HB ALA 47 -0.792 7.469 5.732 380 H GLN 48 H GLN 48 -2.779 9.736 3.083 381 HA GLN 48 HA GLN 48 -5.494 9.076 2.984 382 HB2 GLN 48 2HB GLN 48 -3.968 11.366 2.533 383 HB3 GLN 48 3HB GLN 48 -4.746 11.089 0.986 384 HG2 GLN 48 2HG GLN 48 -6.421 11.004 3.449 385 HG3 GLN 48 3HG GLN 48 -5.857 12.565 2.875 386 HE21 GLN 48 1HE2 GLN 48 -6.778 9.844 0.816 387 HE22 GLN 48 2HE2 GLN 48 -8.162 10.601 0.142 388 H GLU 49 H GLU 49 -3.139 9.169 0.290 389 HA GLU 49 HA GLU 49 -4.852 8.285 -1.749 390 HB2 GLU 49 2HB GLU 49 -1.886 7.804 -1.385 391 HB3 GLU 49 3HB GLU 49 -2.767 7.474 -2.870 392 HG2 GLU 49 2HG GLU 49 -3.271 9.826 -3.140 393 HG3 GLU 49 3HG GLU 49 -2.500 10.192 -1.594 394 H ALA 50 H ALA 50 -2.878 6.440 0.546 395 HA ALA 50 HA ALA 50 -3.356 3.871 -0.523 396 HB1 ALA 50 3HB ALA 50 -2.710 4.612 2.333 397 HB2 ALA 50 1HB ALA 50 -1.531 4.380 1.041 398 HB3 ALA 50 2HB ALA 50 -2.511 3.022 1.593 399 H MET 51 H MET 51 -5.069 5.725 1.984 400 HA MET 51 HA MET 51 -6.943 3.721 2.686 401 HB2 MET 51 2HB MET 51 -7.153 6.737 2.854 402 HB3 MET 51 3HB MET 51 -8.272 5.614 3.616 403 HG2 MET 51 2HG MET 51 -6.446 4.722 4.973 404 HG3 MET 51 3HG MET 51 -5.329 5.856 4.209 405 HE1 MET 51 3HE MET 51 -5.615 5.657 7.363 406 HE2 MET 51 1HE MET 51 -5.653 7.366 7.795 407 HE3 MET 51 2HE MET 51 -4.550 6.797 6.543 408 H ASP 52 H ASP 52 -7.225 6.500 0.454 409 HA ASP 52 HA ASP 52 -9.764 5.952 -0.558 410 HB2 ASP 52 2HB ASP 52 -7.361 7.276 -1.827 411 HB3 ASP 52 3HB ASP 52 -8.934 7.200 -2.619 412 H ALA 53 H ALA 53 -6.613 4.716 -1.634 413 HA ALA 53 HA ALA 53 -7.559 3.245 -3.858 414 HB1 ALA 53 3HB ALA 53 -5.126 2.708 -2.145 415 HB2 ALA 53 1HB ALA 53 -5.190 3.802 -3.527 416 HB3 ALA 53 2HB ALA 53 -5.422 2.070 -3.765 417 H LYS 54 H LYS 54 -7.043 2.337 -0.461 418 HA LYS 54 HA LYS 54 -7.700 -0.381 -0.654 419 HB2 LYS 54 2HB LYS 54 -6.610 0.444 1.310 420 HB3 LYS 54 3HB LYS 54 -7.907 1.583 1.634 421 HG2 LYS 54 2HG LYS 54 -9.405 -0.216 2.225 422 HG3 LYS 54 3HG LYS 54 -8.200 -1.421 1.764 423 HD2 LYS 54 2HD LYS 54 -6.773 -0.819 3.570 424 HD3 LYS 54 3HD LYS 54 -7.687 0.654 3.897 425 HE2 LYS 54 2HE LYS 54 -8.155 -1.044 5.568 426 HE3 LYS 54 3HE LYS 54 -9.597 -0.696 4.626 427 HZ1 LYS 54 3HZ LYS 54 -9.022 -2.709 3.289 428 HZ2 LYS 54 1HZ LYS 54 -9.468 -3.015 4.888 429 HZ3 LYS 54 2HZ LYS 54 -7.843 -3.070 4.448 430 H LYS 55 H LYS 55 -9.818 2.363 0.267 431 HA LYS 55 HA LYS 55 -12.158 0.797 0.537 432 HB2 LYS 55 2HB LYS 55 -13.385 2.875 0.615 433 HB3 LYS 55 3HB LYS 55 -11.883 3.070 1.509 434 HG2 LYS 55 2HG LYS 55 -10.899 4.320 -0.300 435 HG3 LYS 55 3HG LYS 55 -12.300 4.006 -1.328 436 HD2 LYS 55 2HD LYS 55 -13.715 5.261 0.272 437 HD3 LYS 55 3HD LYS 55 -12.274 5.622 1.227 438 HE2 LYS 55 2HE LYS 55 -11.313 6.846 -0.639 439 HE3 LYS 55 3HE LYS 55 -12.695 6.430 -1.655 440 HZ1 LYS 55 3HZ LYS 55 -12.853 8.031 0.840 441 HZ2 LYS 55 1HZ LYS 55 -14.123 7.711 -0.230 442 HZ3 LYS 55 2HZ LYS 55 -12.828 8.680 -0.722 443 H ARG 56 H ARG 56 -10.719 2.411 -2.250 444 HA ARG 56 HA ARG 56 -13.017 2.025 -3.946 445 HB2 ARG 56 2HB ARG 56 -11.258 3.853 -4.196 446 HB3 ARG 56 3HB ARG 56 -10.195 2.617 -4.855 447 HG2 ARG 56 2HG ARG 56 -11.818 2.193 -6.650 448 HG3 ARG 56 3HG ARG 56 -12.866 3.449 -5.989 449 HD2 ARG 56 2HD ARG 56 -10.958 5.060 -6.296 450 HD3 ARG 56 3HD ARG 56 -10.109 3.785 -7.171 451 HE ARG 56 HE ARG 56 -12.765 4.482 -8.128 452 HH11 ARG 56 1HH1 ARG 56 -9.355 4.764 -8.540 453 HH12 ARG 56 2HH1 ARG 56 -9.492 5.452 -10.117 454 HH21 ARG 56 1HH2 ARG 56 -12.926 5.326 -10.162 455 HH22 ARG 56 2HH2 ARG 56 -11.497 5.757 -11.034 456 H TYR 57 H TYR 57 -10.145 0.208 -3.162 457 HA TYR 57 HA TYR 57 -10.322 -1.682 -5.300 458 HB2 TYR 57 2HB TYR 57 -8.246 -1.328 -4.020 459 HB3 TYR 57 3HB TYR 57 -9.031 -1.925 -2.566 460 HD1 TYR 57 HD1 TYR 57 -7.802 -2.912 -5.920 461 HD2 TYR 57 HD2 TYR 57 -9.175 -4.271 -2.121 462 HE1 TYR 57 HE1 TYR 57 -7.056 -5.189 -6.468 463 HE2 TYR 57 HE2 TYR 57 -8.442 -6.553 -2.669 464 HH TYR 57 HH TYR 57 -7.946 -7.918 -4.618 465 H GLU 58 H GLU 58 -11.484 -1.635 -1.950 466 HA GLU 58 HA GLU 58 -12.697 -4.228 -2.079 467 HB2 GLU 58 2HB GLU 58 -13.021 -1.966 -0.096 468 HB3 GLU 58 3HB GLU 58 -13.685 -3.584 0.113 469 HG2 GLU 58 2HG GLU 58 -11.441 -4.530 0.100 470 HG3 GLU 58 3HG GLU 58 -10.753 -2.931 -0.171 471 H ASP 59 H ASP 59 -13.851 -0.920 -2.537 472 HA ASP 59 HA ASP 59 -16.480 -2.001 -3.343 473 HB2 ASP 59 2HB ASP 59 -15.760 0.818 -2.494 474 HB3 ASP 59 3HB ASP 59 -17.364 0.280 -2.989 475 HA PRO 60 HA PRO 60 -14.444 -0.586 -7.242 476 HB2 PRO 60 2HB PRO 60 -14.908 -2.755 -8.752 477 HB3 PRO 60 3HB PRO 60 -13.616 -2.726 -7.544 478 HG2 PRO 60 2HG PRO 60 -16.341 -3.957 -7.373 479 HG3 PRO 60 3HG PRO 60 -14.784 -4.598 -6.814 480 HD2 PRO 60 2HD PRO 60 -16.642 -3.346 -5.188 481 HD3 PRO 60 3HD PRO 60 -14.910 -3.470 -4.827 482 H ASP 61 H ASP 61 -15.455 0.687 -8.647 483 HA ASP 61 HA ASP 61 -18.340 0.476 -9.061 484 HB2 ASP 61 2HB ASP 61 -16.462 2.580 -10.167 485 HB3 ASP 61 3HB ASP 61 -18.207 2.699 -9.952 486 H LYS 62 H LYS 62 -16.062 -1.240 -10.331 487 HA LYS 62 HA LYS 62 -17.111 -1.316 -13.036 488 HB2 LYS 62 2HB LYS 62 -15.316 0.459 -13.026 489 HB3 LYS 62 3HB LYS 62 -14.163 -0.779 -12.555 490 HG2 LYS 62 2HG LYS 62 -13.930 -0.427 -14.893 491 HG3 LYS 62 3HG LYS 62 -14.720 -1.990 -14.677 492 HD2 LYS 62 2HD LYS 62 -16.887 -0.994 -15.176 493 HD3 LYS 62 3HD LYS 62 -16.146 0.604 -15.305 494 HE2 LYS 62 2HE LYS 62 -14.781 -0.223 -17.198 495 HE3 LYS 62 3HE LYS 62 -15.610 -1.776 -17.089 496 HZ1 LYS 62 3HZ LYS 62 -16.916 0.828 -17.662 497 HZ2 LYS 62 1HZ LYS 62 -17.689 -0.673 -17.593 498 HZ3 LYS 62 2HZ LYS 62 -16.556 -0.359 -18.806 499 H GLU 63 H GLU 63 -16.308 -3.206 -14.238 500 HA GLU 63 HA GLU 63 -15.631 -5.356 -14.520 501 HB2 GLU 63 2HB GLU 63 -13.813 -4.727 -12.181 502 HB3 GLU 63 3HB GLU 63 -13.700 -6.179 -13.169 503 HG2 GLU 63 2HG GLU 63 -13.394 -3.365 -14.212 504 HG3 GLU 63 3HG GLU 63 -12.057 -4.423 -13.766 505 H LEU 64 H LEU 64 -17.911 -4.765 -12.818 506 HA LEU 64 HA LEU 64 -17.886 -6.683 -10.655 507 HB2 LEU 64 2HB LEU 64 -20.158 -5.074 -11.836 508 HB3 LEU 64 3HB LEU 64 -20.270 -6.057 -10.388 509 HG LEU 64 HG LEU 64 -18.499 -3.623 -10.709 510 HD11 LEU 64 1HD1 LEU 64 -21.076 -3.999 -9.176 511 HD12 LEU 64 2HD1 LEU 64 -20.854 -3.012 -10.622 512 HD13 LEU 64 3HD1 LEU 64 -20.047 -2.568 -9.120 513 HD21 LEU 64 3HD2 LEU 64 -17.539 -5.278 -9.191 514 HD22 LEU 64 1HD2 LEU 64 -19.056 -5.358 -8.294 515 HD23 LEU 64 2HD2 LEU 64 -18.110 -3.869 -8.301 516 H GLU 65 H GLU 65 -17.393 -8.637 -11.827 517 HA GLU 65 HA GLU 65 -19.064 -9.734 -13.826 518 HB2 GLU 65 2HB GLU 65 -16.842 -10.648 -13.409 519 HB3 GLU 65 3HB GLU 65 -17.314 -11.136 -11.786 520 HG2 GLU 65 2HG GLU 65 -18.922 -12.730 -12.718 521 HG3 GLU 65 3HG GLU 65 -18.482 -12.229 -14.349 522 H HIS 66 H HIS 66 -21.187 -10.021 -13.575 523 HA HIS 66 HA HIS 66 -22.363 -10.416 -10.966 524 HB2 HIS 66 2HB HIS 66 -23.730 -10.353 -13.666 525 HB3 HIS 66 3HB HIS 66 -24.499 -10.170 -12.092 526 HD1 HIS 66 HD1 HIS 66 -23.372 -7.979 -10.688 527 HD2 HIS 66 HD2 HIS 66 -23.264 -7.967 -14.845 528 HE1 HIS 66 HE1 HIS 66 -23.019 -5.586 -11.348 529 HE2 HIS 66 HE2 HIS 66 -22.767 -5.638 -13.847 530 H HIS 67 H HIS 67 -23.801 -12.144 -10.412 531 HA HIS 67 HA HIS 67 -22.788 -14.707 -10.939 532 HB2 HIS 67 2HB HIS 67 -24.832 -15.531 -9.754 533 HB3 HIS 67 3HB HIS 67 -23.950 -14.285 -8.879 534 HD1 HIS 67 HD1 HIS 67 -25.171 -12.117 -8.379 535 HD2 HIS 67 HD2 HIS 67 -27.349 -14.695 -10.801 536 HE1 HIS 67 HE1 HIS 67 -27.479 -11.141 -8.491 537 HE2 HIS 67 HE2 HIS 67 -28.703 -12.596 -10.137 538 H HIS 68 H HIS 68 -23.083 -16.100 -12.549 539 HA HIS 68 HA HIS 68 -24.855 -15.516 -14.741 540 HB2 HIS 68 2HB HIS 68 -22.618 -16.563 -15.055 541 HB3 HIS 68 3HB HIS 68 -23.192 -18.003 -14.222 542 HD1 HIS 68 HD1 HIS 68 -24.308 -19.748 -15.648 543 HD2 HIS 68 HD2 HIS 68 -23.987 -16.085 -17.583 544 HE1 HIS 68 HE1 HIS 68 -25.069 -20.161 -18.003 545 HE2 HIS 68 HE2 HIS 68 -25.019 -17.906 -19.101 546 H HIS 69 H HIS 69 -26.787 -16.485 -15.281 547 HA HIS 69 HA HIS 69 -28.538 -17.388 -13.387 548 HB2 HIS 69 2HB HIS 69 -29.253 -16.695 -15.611 549 HB3 HIS 69 3HB HIS 69 -28.507 -18.120 -16.326 550 HD1 HIS 69 HD1 HIS 69 -29.993 -20.093 -16.615 551 HD2 HIS 69 HD2 HIS 69 -31.509 -17.399 -13.840 552 HE1 HIS 69 HE1 HIS 69 -32.247 -20.985 -15.971 553 HE2 HIS 69 HE2 HIS 69 -33.096 -19.403 -14.215 554 H HIS 70 H HIS 70 -28.576 -19.101 -12.113 555 HA HIS 70 HA HIS 70 -26.790 -21.220 -12.171 556 HB2 HIS 70 2HB HIS 70 -28.113 -20.443 -10.198 557 HB3 HIS 70 3HB HIS 70 -29.531 -21.229 -10.882 558 HD1 HIS 70 HD1 HIS 70 -26.400 -21.906 -9.009 559 HD2 HIS 70 HD2 HIS 70 -29.482 -24.068 -10.766 560 HE1 HIS 70 HE1 HIS 70 -26.191 -24.232 -8.101 561 HE2 HIS 70 HE2 HIS 70 -27.953 -25.560 -9.309 562 H HIS 71 H HIS 71 -26.668 -23.110 -13.215 563 HA HIS 71 HA HIS 71 -28.434 -23.765 -15.331 564 HB2 HIS 71 2HB HIS 71 -26.095 -24.383 -15.448 565 HB3 HIS 71 3HB HIS 71 -26.240 -25.383 -14.007 566 HD1 HIS 71 HD1 HIS 71 -27.625 -27.621 -14.271 567 HD2 HIS 71 HD2 HIS 71 -26.765 -25.631 -17.815 568 HE1 HIS 71 HE1 HIS 71 -28.062 -29.284 -16.101 569 HE2 HIS 71 HE2 HIS 71 -27.355 -28.117 -18.208 Start of MODEL 19 1 H1 MET 1 1H MET 1 -31.762 -9.912 -9.649 2 H2 MET 1 2H MET 1 -30.958 -8.496 -9.187 3 H3 MET 1 3H MET 1 -32.348 -8.984 -8.363 4 HA MET 1 HA MET 1 -30.359 -9.455 -7.079 5 HB2 MET 1 2HB MET 1 -31.737 -11.936 -8.145 6 HB3 MET 1 3HB MET 1 -30.812 -11.852 -6.652 7 HG2 MET 1 2HG MET 1 -32.419 -10.265 -5.732 8 HG3 MET 1 3HG MET 1 -33.344 -10.324 -7.234 9 HE1 MET 1 3HE MET 1 -35.698 -12.243 -4.782 10 HE2 MET 1 1HE MET 1 -35.582 -10.951 -5.977 11 HE3 MET 1 2HE MET 1 -34.717 -10.816 -4.445 12 HA PRO 2 HA PRO 2 -26.695 -10.578 -9.415 13 HB2 PRO 2 2HB PRO 2 -25.661 -11.568 -6.812 14 HB3 PRO 2 3HB PRO 2 -24.992 -10.342 -7.893 15 HG2 PRO 2 2HG PRO 2 -26.144 -9.651 -5.582 16 HG3 PRO 2 3HG PRO 2 -26.351 -8.657 -7.039 17 HD2 PRO 2 2HD PRO 2 -28.251 -10.631 -5.806 18 HD3 PRO 2 3HD PRO 2 -28.585 -9.027 -6.495 19 H THR 3 H THR 3 -26.350 -12.391 -10.592 20 HA THR 3 HA THR 3 -27.498 -14.908 -9.909 21 HB THR 3 HB THR 3 -26.294 -15.788 -11.903 22 HG1 THR 3 HG1 THR 3 -24.822 -14.595 -12.947 23 HG21 THR 3 3HG2 THR 3 -27.433 -14.373 -13.568 24 HG22 THR 3 1HG2 THR 3 -27.700 -13.144 -12.333 25 HG23 THR 3 2HG2 THR 3 -28.474 -14.724 -12.187 26 H LYS 4 H LYS 4 -26.738 -15.820 -8.088 27 HA LYS 4 HA LYS 4 -25.398 -16.860 -6.600 28 HB2 LYS 4 2HB LYS 4 -23.305 -16.852 -8.794 29 HB3 LYS 4 3HB LYS 4 -23.222 -17.782 -7.302 30 HG2 LYS 4 2HG LYS 4 -25.346 -18.924 -8.007 31 HG3 LYS 4 3HG LYS 4 -25.186 -18.117 -9.565 32 HD2 LYS 4 2HD LYS 4 -23.185 -20.023 -8.339 33 HD3 LYS 4 3HD LYS 4 -24.315 -20.405 -9.638 34 HE2 LYS 4 2HE LYS 4 -23.223 -18.689 -11.044 35 HE3 LYS 4 3HE LYS 4 -22.059 -18.394 -9.752 36 HZ1 LYS 4 3HZ LYS 4 -21.379 -20.730 -9.930 37 HZ2 LYS 4 1HZ LYS 4 -21.136 -19.890 -11.379 38 HZ3 LYS 4 2HZ LYS 4 -22.447 -20.941 -11.223 39 HA PRO 5 HA PRO 5 -23.883 -13.555 -4.225 40 HB2 PRO 5 2HB PRO 5 -21.737 -15.462 -3.345 41 HB3 PRO 5 3HB PRO 5 -22.773 -14.409 -2.371 42 HG2 PRO 5 2HG PRO 5 -23.316 -17.001 -2.566 43 HG3 PRO 5 3HG PRO 5 -24.625 -15.805 -2.594 44 HD2 PRO 5 2HD PRO 5 -23.480 -17.412 -4.828 45 HD3 PRO 5 3HD PRO 5 -25.137 -16.822 -4.595 46 HA PRO 6 HA PRO 6 -20.467 -11.840 -6.671 47 HB2 PRO 6 2HB PRO 6 -20.500 -9.372 -5.509 48 HB3 PRO 6 3HB PRO 6 -21.653 -9.864 -6.757 49 HG2 PRO 6 2HG PRO 6 -21.996 -9.803 -3.779 50 HG3 PRO 6 3HG PRO 6 -23.119 -9.266 -5.043 51 HD2 PRO 6 2HD PRO 6 -23.393 -11.653 -3.796 52 HD3 PRO 6 3HD PRO 6 -23.833 -11.426 -5.503 53 H TYR 7 H TYR 7 -18.268 -11.360 -6.248 54 HA TYR 7 HA TYR 7 -17.348 -12.374 -3.680 55 HB2 TYR 7 2HB TYR 7 -16.324 -13.296 -5.679 56 HB3 TYR 7 3HB TYR 7 -15.837 -11.690 -6.213 57 HD1 TYR 7 HD1 TYR 7 -15.243 -14.294 -3.639 58 HD2 TYR 7 HD2 TYR 7 -13.820 -10.689 -5.410 59 HE1 TYR 7 HE1 TYR 7 -13.119 -14.542 -2.429 60 HE2 TYR 7 HE2 TYR 7 -11.691 -10.936 -4.210 61 HH TYR 7 HH TYR 7 -10.931 -12.104 -2.032 62 HA PRO 8 HA PRO 8 -16.298 -8.155 -2.354 63 HB2 PRO 8 2HB PRO 8 -16.041 -8.718 0.266 64 HB3 PRO 8 3HB PRO 8 -17.628 -8.568 -0.498 65 HG2 PRO 8 2HG PRO 8 -16.096 -11.035 0.227 66 HG3 PRO 8 3HG PRO 8 -17.830 -10.704 0.397 67 HD2 PRO 8 2HD PRO 8 -16.715 -12.165 -1.663 68 HD3 PRO 8 3HD PRO 8 -18.274 -11.324 -1.763 69 H ARG 9 H ARG 9 -14.278 -7.321 -2.379 70 HA ARG 9 HA ARG 9 -11.999 -9.149 -2.148 71 HB2 ARG 9 2HB ARG 9 -12.151 -6.313 -3.205 72 HB3 ARG 9 3HB ARG 9 -10.720 -7.336 -3.237 73 HG2 ARG 9 2HG ARG 9 -11.811 -8.891 -4.742 74 HG3 ARG 9 3HG ARG 9 -13.315 -7.973 -4.645 75 HD2 ARG 9 2HD ARG 9 -10.699 -6.954 -5.769 76 HD3 ARG 9 3HD ARG 9 -12.077 -7.509 -6.721 77 HE ARG 9 HE ARG 9 -12.937 -5.483 -4.983 78 HH11 ARG 9 1HH1 ARG 9 -10.945 -5.842 -7.784 79 HH12 ARG 9 2HH1 ARG 9 -11.207 -4.214 -8.293 80 HH21 ARG 9 1HH2 ARG 9 -13.256 -3.425 -5.647 81 HH22 ARG 9 2HH2 ARG 9 -12.496 -2.853 -7.096 82 H GLU 10 H GLU 10 -10.048 -8.458 -0.989 83 HA GLU 10 HA GLU 10 -10.549 -6.590 1.240 84 HB2 GLU 10 2HB GLU 10 -9.302 -9.344 1.461 85 HB3 GLU 10 3HB GLU 10 -9.352 -8.161 2.759 86 HG2 GLU 10 2HG GLU 10 -11.796 -8.250 2.760 87 HG3 GLU 10 3HG GLU 10 -11.753 -9.423 1.442 88 H ALA 11 H ALA 11 -8.805 -5.352 1.895 89 HA ALA 11 HA ALA 11 -6.175 -5.873 0.685 90 HB1 ALA 11 3HB ALA 11 -7.310 -4.357 -0.854 91 HB2 ALA 11 1HB ALA 11 -5.957 -3.553 -0.060 92 HB3 ALA 11 2HB ALA 11 -7.610 -3.225 0.465 93 H TYR 12 H TYR 12 -4.435 -4.556 1.646 94 HA TYR 12 HA TYR 12 -4.983 -3.219 4.165 95 HB2 TYR 12 2HB TYR 12 -3.316 -4.632 5.415 96 HB3 TYR 12 3HB TYR 12 -4.818 -5.447 5.011 97 HD1 TYR 12 HD1 TYR 12 -4.852 -7.183 3.233 98 HD2 TYR 12 HD2 TYR 12 -1.206 -5.399 4.530 99 HE1 TYR 12 HE1 TYR 12 -3.591 -9.027 2.210 100 HE2 TYR 12 HE2 TYR 12 0.065 -7.239 3.506 101 HH TYR 12 HH TYR 12 -1.270 -9.410 1.312 102 H ILE 13 H ILE 13 -3.245 -1.945 4.951 103 HA ILE 13 HA ILE 13 -1.367 -1.195 2.811 104 HB ILE 13 HB ILE 13 -2.208 0.384 5.254 105 HG12 ILE 13 2HG1 ILE 13 -3.090 0.684 2.367 106 HG13 ILE 13 3HG1 ILE 13 -4.064 -0.023 3.651 107 HG21 ILE 13 1HG2 ILE 13 0.002 1.021 4.430 108 HG22 ILE 13 2HG2 ILE 13 -1.173 2.296 4.120 109 HG23 ILE 13 3HG2 ILE 13 -0.652 1.240 2.809 110 HD11 ILE 13 3HD1 ILE 13 -4.050 2.116 4.831 111 HD12 ILE 13 1HD1 ILE 13 -4.732 2.257 3.211 112 HD13 ILE 13 2HD1 ILE 13 -3.091 2.821 3.529 113 H VAL 14 H VAL 14 0.794 -1.339 3.056 114 HA VAL 14 HA VAL 14 1.933 -1.742 5.757 115 HB VAL 14 HB VAL 14 2.878 -3.115 3.218 116 HG11 VAL 14 1HG1 VAL 14 4.723 -2.624 4.731 117 HG12 VAL 14 2HG1 VAL 14 4.396 -4.357 4.703 118 HG13 VAL 14 3HG1 VAL 14 3.856 -3.378 6.067 119 HG21 VAL 14 3HG2 VAL 14 2.103 -5.197 4.242 120 HG22 VAL 14 1HG2 VAL 14 0.769 -4.064 4.029 121 HG23 VAL 14 2HG2 VAL 14 1.481 -4.298 5.627 122 H THR 15 H THR 15 3.406 -0.196 6.252 123 HA THR 15 HA THR 15 4.330 1.611 4.153 124 HB THR 15 HB THR 15 5.209 3.026 5.918 125 HG1 THR 15 HG1 THR 15 4.440 0.949 7.730 126 HG21 THR 15 3HG2 THR 15 3.151 3.512 7.153 127 HG22 THR 15 1HG2 THR 15 2.480 1.957 6.663 128 HG23 THR 15 2HG2 THR 15 2.814 3.194 5.452 129 H ILE 16 H ILE 16 6.289 1.580 3.244 130 HA ILE 16 HA ILE 16 8.411 -0.091 4.455 131 HB ILE 16 HB ILE 16 9.375 -0.318 2.208 132 HG12 ILE 16 2HG1 ILE 16 6.908 1.157 1.233 133 HG13 ILE 16 3HG1 ILE 16 8.530 1.837 1.292 134 HG21 ILE 16 1HG2 ILE 16 7.773 -1.991 3.029 135 HG22 ILE 16 2HG2 ILE 16 7.717 -1.830 1.273 136 HG23 ILE 16 3HG2 ILE 16 6.457 -1.096 2.267 137 HD11 ILE 16 3HD1 ILE 16 7.636 -0.491 -0.388 138 HD12 ILE 16 1HD1 ILE 16 9.283 0.137 -0.307 139 HD13 ILE 16 2HD1 ILE 16 7.985 1.144 -0.949 140 H GLU 17 H GLU 17 10.682 0.655 3.606 141 HA GLU 17 HA GLU 17 10.872 3.594 3.875 142 HB2 GLU 17 2HB GLU 17 13.088 3.208 4.938 143 HB3 GLU 17 3HB GLU 17 11.746 2.548 5.861 144 HG2 GLU 17 2HG GLU 17 12.265 0.318 5.159 145 HG3 GLU 17 3HG GLU 17 13.477 0.904 4.021 146 H LYS 18 H LYS 18 11.827 4.669 2.266 147 HA LYS 18 HA LYS 18 13.714 3.246 0.483 148 HB2 LYS 18 2HB LYS 18 11.653 5.340 -0.246 149 HB3 LYS 18 3HB LYS 18 12.951 4.846 -1.322 150 HG2 LYS 18 2HG LYS 18 12.067 2.517 -1.224 151 HG3 LYS 18 3HG LYS 18 10.703 3.126 -0.284 152 HD2 LYS 18 2HD LYS 18 10.002 4.537 -2.113 153 HD3 LYS 18 3HD LYS 18 11.444 4.120 -3.041 154 HE2 LYS 18 2HE LYS 18 9.256 2.204 -2.224 155 HE3 LYS 18 3HE LYS 18 9.471 2.894 -3.830 156 HZ1 LYS 18 3HZ LYS 18 11.368 1.089 -2.433 157 HZ2 LYS 18 1HZ LYS 18 11.646 1.803 -3.938 158 HZ3 LYS 18 2HZ LYS 18 10.388 0.687 -3.748 159 H GLY 19 H GLY 19 15.044 5.003 -0.818 160 HA2 GLY 19 2HA GLY 19 16.169 7.039 -0.931 161 HA3 GLY 19 3HA GLY 19 15.392 7.529 0.563 162 H LYS 20 H LYS 20 16.994 8.141 1.863 163 HA LYS 20 HA LYS 20 19.653 7.086 1.645 164 HB2 LYS 20 2HB LYS 20 18.511 8.980 3.715 165 HB3 LYS 20 3HB LYS 20 20.216 8.734 3.349 166 HG2 LYS 20 2HG LYS 20 19.902 9.656 1.126 167 HG3 LYS 20 3HG LYS 20 18.173 9.841 1.425 168 HD2 LYS 20 2HD LYS 20 18.663 11.420 3.244 169 HD3 LYS 20 3HD LYS 20 20.392 11.233 2.937 170 HE2 LYS 20 2HE LYS 20 18.364 12.309 0.970 171 HE3 LYS 20 3HE LYS 20 19.493 13.281 1.914 172 HZ1 LYS 20 3HZ LYS 20 21.322 12.185 0.803 173 HZ2 LYS 20 1HZ LYS 20 20.296 12.901 -0.335 174 HZ3 LYS 20 2HZ LYS 20 20.255 11.227 -0.089 175 HA PRO 21 HA PRO 21 19.656 3.824 4.672 176 HB2 PRO 21 2HB PRO 21 22.245 4.942 5.640 177 HB3 PRO 21 3HB PRO 21 21.869 3.317 5.056 178 HG2 PRO 21 2HG PRO 21 23.247 5.016 3.536 179 HG3 PRO 21 3HG PRO 21 22.030 3.943 2.818 180 HD2 PRO 21 2HD PRO 21 21.839 6.866 3.465 181 HD3 PRO 21 3HD PRO 21 21.236 5.983 2.046 182 H GLY 22 H GLY 22 20.646 7.035 5.868 183 HA2 GLY 22 2HA GLY 22 19.669 6.401 8.556 184 HA3 GLY 22 3HA GLY 22 20.508 7.866 8.070 185 H GLN 23 H GLN 23 19.063 8.909 6.087 186 HA GLN 23 HA GLN 23 16.512 9.556 7.360 187 HB2 GLN 23 2HB GLN 23 17.973 10.871 5.057 188 HB3 GLN 23 3HB GLN 23 16.434 11.422 5.707 189 HG2 GLN 23 2HG GLN 23 19.037 11.282 7.227 190 HG3 GLN 23 3HG GLN 23 18.311 12.740 6.555 191 HE21 GLN 23 1HE2 GLN 23 18.079 10.318 9.045 192 HE22 GLN 23 2HE2 GLN 23 16.947 11.166 10.035 193 H THR 24 H THR 24 15.537 7.537 6.842 194 HA THR 24 HA THR 24 15.048 6.807 4.092 195 HB THR 24 HB THR 24 13.606 5.024 5.023 196 HG1 THR 24 HG1 THR 24 13.833 6.582 7.306 197 HG21 THR 24 3HG2 THR 24 16.012 4.628 4.792 198 HG22 THR 24 1HG2 THR 24 15.358 3.776 6.193 199 HG23 THR 24 2HG2 THR 24 16.280 5.266 6.416 200 H VAL 25 H VAL 25 13.019 6.738 3.057 201 HA VAL 25 HA VAL 25 11.105 8.788 3.976 202 HB VAL 25 HB VAL 25 11.545 7.740 1.163 203 HG11 VAL 25 1HG1 VAL 25 9.261 8.513 1.529 204 HG12 VAL 25 2HG1 VAL 25 10.131 9.621 0.471 205 HG13 VAL 25 3HG1 VAL 25 9.864 10.045 2.162 206 HG21 VAL 25 3HG2 VAL 25 13.478 9.020 1.936 207 HG22 VAL 25 1HG2 VAL 25 12.424 10.353 2.407 208 HG23 VAL 25 2HG2 VAL 25 12.588 9.916 0.705 209 H THR 26 H THR 26 8.957 8.303 4.186 210 HA THR 26 HA THR 26 8.307 5.475 4.407 211 HB THR 26 HB THR 26 6.632 7.902 5.115 212 HG1 THR 26 HG1 THR 26 8.637 7.580 6.332 213 HG21 THR 26 3HG2 THR 26 6.282 4.984 5.853 214 HG22 THR 26 1HG2 THR 26 5.249 5.912 4.765 215 HG23 THR 26 2HG2 THR 26 5.317 6.322 6.479 216 H TRP 27 H TRP 27 7.417 4.368 2.797 217 HA TRP 27 HA TRP 27 5.474 5.734 1.037 218 HB2 TRP 27 2HB TRP 27 7.476 3.567 0.405 219 HB3 TRP 27 3HB TRP 27 6.074 3.858 -0.621 220 HD1 TRP 27 HD1 TRP 27 9.278 5.647 0.594 221 HE1 TRP 27 HE1 TRP 27 9.878 7.459 -1.132 222 HE3 TRP 27 HE3 TRP 27 5.185 5.260 -2.446 223 HZ2 TRP 27 HZ2 TRP 27 8.762 8.581 -3.466 224 HZ3 TRP 27 HZ3 TRP 27 5.026 6.743 -4.405 225 HH2 TRP 27 HH2 TRP 27 6.779 8.368 -4.903 226 H TYR 28 H TYR 28 3.464 4.926 0.913 227 HA TYR 28 HA TYR 28 2.801 2.662 2.635 228 HB2 TYR 28 2HB TYR 28 1.000 4.620 1.171 229 HB3 TYR 28 3HB TYR 28 0.471 3.418 2.345 230 HD1 TYR 28 HD2 TYR 28 2.626 6.440 1.974 231 HD2 TYR 28 HD1 TYR 28 0.425 3.953 4.644 232 HE1 TYR 28 HE2 TYR 28 2.992 8.064 3.781 233 HE2 TYR 28 HE1 TYR 28 0.785 5.575 6.456 234 HH TYR 28 HH TYR 28 2.285 7.355 7.068 235 H GLN 29 H GLN 29 2.787 0.691 1.751 236 HA GLN 29 HA GLN 29 2.137 0.330 -1.080 237 HB2 GLN 29 2HB GLN 29 3.179 -1.617 0.988 238 HB3 GLN 29 3HB GLN 29 2.828 -2.039 -0.680 239 HG2 GLN 29 2HG GLN 29 4.506 -0.253 -1.337 240 HG3 GLN 29 3HG GLN 29 4.983 -0.227 0.361 241 HE21 GLN 29 1HE2 GLN 29 6.491 -1.041 -2.032 242 HE22 GLN 29 2HE2 GLN 29 7.003 -2.662 -1.728 243 H LEU 30 H LEU 30 0.075 -0.085 -1.647 244 HA LEU 30 HA LEU 30 -1.766 -1.286 0.253 245 HB2 LEU 30 2HB LEU 30 -2.530 0.497 -1.275 246 HB3 LEU 30 3HB LEU 30 -2.181 -0.537 -2.651 247 HG LEU 30 HG LEU 30 -3.893 -2.146 -1.844 248 HD11 LEU 30 1HD1 LEU 30 -3.817 -1.640 0.533 249 HD12 LEU 30 2HD1 LEU 30 -5.457 -1.463 -0.088 250 HD13 LEU 30 3HD1 LEU 30 -4.479 -0.031 0.230 251 HD21 LEU 30 3HD2 LEU 30 -4.893 0.677 -2.244 252 HD22 LEU 30 1HD2 LEU 30 -5.849 -0.793 -2.437 253 HD23 LEU 30 2HD2 LEU 30 -4.491 -0.478 -3.516 254 H ARG 31 H ARG 31 -1.375 -3.401 0.615 255 HA ARG 31 HA ARG 31 -1.012 -5.195 -1.699 256 HB2 ARG 31 2HB ARG 31 -0.403 -5.653 1.235 257 HB3 ARG 31 3HB ARG 31 -0.158 -6.838 -0.044 258 HG2 ARG 31 2HG ARG 31 1.456 -5.319 -1.119 259 HG3 ARG 31 3HG ARG 31 1.235 -4.169 0.199 260 HD2 ARG 31 2HD ARG 31 2.113 -5.784 1.789 261 HD3 ARG 31 3HD ARG 31 2.247 -6.998 0.516 262 HE ARG 31 HE ARG 31 3.769 -4.486 0.319 263 HH11 ARG 31 1HH1 ARG 31 3.719 -7.919 0.640 264 HH12 ARG 31 2HH1 ARG 31 5.394 -8.089 0.253 265 HH21 ARG 31 1HH2 ARG 31 5.918 -4.712 -0.159 266 HH22 ARG 31 2HH2 ARG 31 6.626 -6.292 -0.202 267 H ALA 32 H ALA 32 -2.377 -6.994 -1.970 268 HA ALA 32 HA ALA 32 -4.938 -6.709 -0.532 269 HB1 ALA 32 3HB ALA 32 -4.461 -7.746 -3.323 270 HB2 ALA 32 1HB ALA 32 -5.024 -6.130 -2.899 271 HB3 ALA 32 2HB ALA 32 -6.029 -7.534 -2.539 272 H ASP 33 H ASP 33 -6.323 -8.707 -0.577 273 HA ASP 33 HA ASP 33 -4.912 -10.787 0.809 274 HB2 ASP 33 2HB ASP 33 -7.154 -9.890 1.458 275 HB3 ASP 33 3HB ASP 33 -7.833 -10.649 0.024 276 H HIS 34 H HIS 34 -6.992 -10.799 -2.106 277 HA HIS 34 HA HIS 34 -5.529 -13.176 -3.072 278 HB2 HIS 34 2HB HIS 34 -8.492 -12.581 -3.277 279 HB3 HIS 34 3HB HIS 34 -7.692 -13.823 -4.235 280 HD1 HIS 34 HD1 HIS 34 -5.974 -15.237 -2.197 281 HD2 HIS 34 HD2 HIS 34 -9.840 -13.961 -1.359 282 HE1 HIS 34 HE1 HIS 34 -6.769 -16.684 -0.314 283 HE2 HIS 34 HE2 HIS 34 -9.020 -15.757 0.306 284 HA PRO 35 HA PRO 35 -6.446 -14.400 -5.445 285 HB2 PRO 35 2HB PRO 35 -4.492 -14.954 -7.288 286 HB3 PRO 35 3HB PRO 35 -6.132 -14.450 -7.711 287 HG2 PRO 35 2HG PRO 35 -3.631 -12.805 -7.537 288 HG3 PRO 35 3HG PRO 35 -4.898 -12.786 -8.779 289 HD2 PRO 35 2HD PRO 35 -4.790 -10.919 -6.846 290 HD3 PRO 35 3HD PRO 35 -6.339 -11.524 -7.468 291 H LYS 36 H LYS 36 -3.082 -13.146 -5.631 292 HA LYS 36 HA LYS 36 -2.270 -15.109 -3.598 293 HB2 LYS 36 2HB LYS 36 -0.688 -13.311 -5.446 294 HB3 LYS 36 3HB LYS 36 0.062 -14.172 -4.112 295 HG2 LYS 36 2HG LYS 36 0.439 -15.453 -6.063 296 HG3 LYS 36 3HG LYS 36 -0.784 -16.305 -5.124 297 HD2 LYS 36 2HD LYS 36 -2.539 -15.423 -6.578 298 HD3 LYS 36 3HD LYS 36 -1.339 -14.506 -7.493 299 HE2 LYS 36 2HE LYS 36 -0.261 -16.601 -8.177 300 HE3 LYS 36 3HE LYS 36 -1.452 -17.518 -7.254 301 HZ1 LYS 36 3HZ LYS 36 -3.189 -16.613 -8.691 302 HZ2 LYS 36 1HZ LYS 36 -2.036 -17.470 -9.581 303 HZ3 LYS 36 2HZ LYS 36 -2.028 -15.780 -9.596 304 HA PRO 37 HA PRO 37 -2.306 -12.074 -0.354 305 HB2 PRO 37 2HB PRO 37 -0.297 -12.972 1.256 306 HB3 PRO 37 3HB PRO 37 -1.868 -13.773 1.136 307 HG2 PRO 37 2HG PRO 37 0.716 -14.466 -0.225 308 HG3 PRO 37 3HG PRO 37 -0.454 -15.540 0.566 309 HD2 PRO 37 2HD PRO 37 -0.363 -15.237 -2.119 310 HD3 PRO 37 3HD PRO 37 -1.889 -15.520 -1.254 311 H ASP 38 H ASP 38 0.465 -12.558 -2.322 312 HA ASP 38 HA ASP 38 1.971 -10.317 -1.241 313 HB2 ASP 38 2HB ASP 38 2.600 -11.793 -3.792 314 HB3 ASP 38 3HB ASP 38 3.707 -10.974 -2.696 315 H SER 39 H SER 39 -0.691 -10.433 -3.136 316 HA SER 39 HA SER 39 -0.098 -9.047 -5.482 317 HB2 SER 39 2HB SER 39 -2.669 -9.001 -3.876 318 HB3 SER 39 3HB SER 39 -2.506 -8.425 -5.536 319 HG SER 39 HG SER 39 -2.847 -10.936 -4.620 320 H LEU 40 H LEU 40 1.321 -7.349 -5.138 321 HA LEU 40 HA LEU 40 0.574 -5.120 -3.444 322 HB2 LEU 40 2HB LEU 40 2.920 -5.737 -3.658 323 HB3 LEU 40 3HB LEU 40 2.857 -5.491 -5.391 324 HG LEU 40 HG LEU 40 2.530 -3.087 -5.072 325 HD11 LEU 40 1HD1 LEU 40 2.699 -2.083 -2.843 326 HD12 LEU 40 2HD1 LEU 40 2.719 -3.693 -2.118 327 HD13 LEU 40 3HD1 LEU 40 1.285 -3.130 -2.979 328 HD21 LEU 40 3HD2 LEU 40 4.808 -3.967 -5.227 329 HD22 LEU 40 1HD2 LEU 40 4.862 -4.159 -3.474 330 HD23 LEU 40 2HD2 LEU 40 4.739 -2.549 -4.183 331 H ILE 41 H ILE 41 -1.054 -3.863 -4.119 332 HA ILE 41 HA ILE 41 -1.839 -3.602 -6.844 333 HB ILE 41 HB ILE 41 -2.660 -1.886 -4.486 334 HG12 ILE 41 2HG1 ILE 41 -3.109 -4.253 -4.040 335 HG13 ILE 41 3HG1 ILE 41 -4.617 -3.391 -4.322 336 HG21 ILE 41 1HG2 ILE 41 -3.212 -0.858 -6.635 337 HG22 ILE 41 2HG2 ILE 41 -4.675 -1.397 -5.808 338 HG23 ILE 41 3HG2 ILE 41 -4.022 -2.339 -7.151 339 HD11 ILE 41 3HD1 ILE 41 -3.189 -5.127 -6.328 340 HD12 ILE 41 1HD1 ILE 41 -4.716 -4.282 -6.584 341 HD13 ILE 41 2HD1 ILE 41 -4.613 -5.576 -5.389 342 H SER 42 H SER 42 -0.403 -1.227 -4.572 343 HA SER 42 HA SER 42 1.307 -0.063 -6.503 344 HB2 SER 42 2HB SER 42 -0.708 0.839 -7.518 345 HB3 SER 42 3HB SER 42 -1.261 1.458 -5.964 346 HG SER 42 HG SER 42 0.967 2.328 -7.502 347 H GLU 43 H GLU 43 2.669 1.519 -5.651 348 HA GLU 43 HA GLU 43 2.516 1.925 -2.740 349 HB2 GLU 43 2HB GLU 43 4.839 2.484 -4.614 350 HB3 GLU 43 3HB GLU 43 4.879 2.542 -2.859 351 HG2 GLU 43 2HG GLU 43 5.833 0.503 -3.210 352 HG3 GLU 43 3HG GLU 43 4.145 0.025 -3.068 353 H HIS 44 H HIS 44 2.132 3.918 -1.863 354 HA HIS 44 HA HIS 44 2.336 6.279 -3.612 355 HB2 HIS 44 2HB HIS 44 -0.091 5.513 -1.976 356 HB3 HIS 44 3HB HIS 44 0.156 7.121 -2.653 357 HD1 HIS 44 HD1 HIS 44 -0.402 7.454 -5.092 358 HD2 HIS 44 HD2 HIS 44 -0.460 3.457 -3.965 359 HE1 HIS 44 HE1 HIS 44 -1.314 6.212 -7.067 360 HE2 HIS 44 HE2 HIS 44 -1.073 3.791 -6.451 361 HA PRO 45 HA PRO 45 4.412 8.065 -0.197 362 HB2 PRO 45 2HB PRO 45 4.202 10.702 -0.740 363 HB3 PRO 45 3HB PRO 45 5.149 9.603 -1.751 364 HG2 PRO 45 2HG PRO 45 2.367 10.647 -2.184 365 HG3 PRO 45 3HG PRO 45 3.703 10.513 -3.344 366 HD2 PRO 45 2HD PRO 45 1.683 8.689 -3.199 367 HD3 PRO 45 3HD PRO 45 3.331 8.264 -3.708 368 H THR 46 H THR 46 1.024 8.856 -0.588 369 HA THR 46 HA THR 46 0.975 9.862 2.202 370 HB THR 46 HB THR 46 -1.014 11.125 1.732 371 HG1 THR 46 HG1 THR 46 -0.950 10.438 -1.006 372 HG21 THR 46 3HG2 THR 46 1.003 11.568 -0.481 373 HG22 THR 46 1HG2 THR 46 1.086 12.241 1.147 374 HG23 THR 46 2HG2 THR 46 -0.208 12.732 0.053 375 H ALA 47 H ALA 47 -0.750 9.191 3.563 376 HA ALA 47 HA ALA 47 -1.500 6.460 3.240 377 HB1 ALA 47 3HB ALA 47 -2.656 6.728 5.370 378 HB2 ALA 47 1HB ALA 47 -2.480 8.481 5.259 379 HB3 ALA 47 2HB ALA 47 -1.053 7.460 5.432 380 H GLN 48 H GLN 48 -3.192 9.521 2.777 381 HA GLN 48 HA GLN 48 -5.828 8.612 2.704 382 HB2 GLN 48 2HB GLN 48 -5.148 10.999 2.753 383 HB3 GLN 48 3HB GLN 48 -4.637 10.873 1.077 384 HG2 GLN 48 2HG GLN 48 -6.821 11.936 1.262 385 HG3 GLN 48 3HG GLN 48 -6.931 10.409 0.390 386 HE21 GLN 48 1HE2 GLN 48 -8.011 8.687 1.328 387 HE22 GLN 48 2HE2 GLN 48 -9.024 8.866 2.715 388 H GLU 49 H GLU 49 -3.457 8.815 0.056 389 HA GLU 49 HA GLU 49 -5.087 7.943 -2.050 390 HB2 GLU 49 2HB GLU 49 -2.131 7.510 -1.570 391 HB3 GLU 49 3HB GLU 49 -2.940 7.152 -3.091 392 HG2 GLU 49 2HG GLU 49 -3.538 9.506 -3.339 393 HG3 GLU 49 3HG GLU 49 -2.757 9.873 -1.799 394 H ALA 50 H ALA 50 -2.991 6.031 0.104 395 HA ALA 50 HA ALA 50 -3.601 3.508 -1.004 396 HB1 ALA 50 3HB ALA 50 -2.645 4.147 1.785 397 HB2 ALA 50 1HB ALA 50 -1.616 3.941 0.368 398 HB3 ALA 50 2HB ALA 50 -2.551 2.578 0.986 399 H MET 51 H MET 51 -5.084 5.338 1.638 400 HA MET 51 HA MET 51 -6.842 3.289 2.530 401 HB2 MET 51 2HB MET 51 -6.971 6.297 2.819 402 HB3 MET 51 3HB MET 51 -8.090 5.194 3.609 403 HG2 MET 51 2HG MET 51 -5.102 5.211 4.012 404 HG3 MET 51 3HG MET 51 -6.281 5.953 5.093 405 HE1 MET 51 3HE MET 51 -8.244 2.818 6.405 406 HE2 MET 51 1HE MET 51 -8.656 3.880 5.058 407 HE3 MET 51 2HE MET 51 -8.029 4.559 6.564 408 H ASP 52 H ASP 52 -7.304 6.015 0.273 409 HA ASP 52 HA ASP 52 -10.019 5.542 -0.297 410 HB2 ASP 52 2HB ASP 52 -8.873 7.633 -0.909 411 HB3 ASP 52 3HB ASP 52 -7.894 6.759 -2.086 412 H ALA 53 H ALA 53 -7.085 4.474 -2.010 413 HA ALA 53 HA ALA 53 -8.364 2.881 -3.946 414 HB1 ALA 53 3HB ALA 53 -5.589 2.566 -2.796 415 HB2 ALA 53 1HB ALA 53 -6.035 3.627 -4.133 416 HB3 ALA 53 2HB ALA 53 -6.172 1.877 -4.313 417 H LYS 54 H LYS 54 -7.317 2.169 -0.643 418 HA LYS 54 HA LYS 54 -7.718 -0.617 -0.642 419 HB2 LYS 54 2HB LYS 54 -6.589 0.659 1.175 420 HB3 LYS 54 3HB LYS 54 -8.145 1.331 1.642 421 HG2 LYS 54 2HG LYS 54 -8.949 -0.937 2.177 422 HG3 LYS 54 3HG LYS 54 -7.362 -1.583 1.747 423 HD2 LYS 54 2HD LYS 54 -6.355 -0.134 3.509 424 HD3 LYS 54 3HD LYS 54 -7.982 0.361 3.981 425 HE2 LYS 54 2HE LYS 54 -6.935 -2.471 4.018 426 HE3 LYS 54 3HE LYS 54 -7.071 -1.419 5.422 427 HZ1 LYS 54 3HZ LYS 54 -9.461 -1.353 5.101 428 HZ2 LYS 54 1HZ LYS 54 -8.933 -2.949 5.264 429 HZ3 LYS 54 2HZ LYS 54 -9.340 -2.347 3.740 430 H LYS 55 H LYS 55 -9.922 1.956 0.504 431 HA LYS 55 HA LYS 55 -12.179 0.378 0.955 432 HB2 LYS 55 2HB LYS 55 -12.034 3.268 0.056 433 HB3 LYS 55 3HB LYS 55 -13.478 2.489 0.696 434 HG2 LYS 55 2HG LYS 55 -12.379 2.139 2.834 435 HG3 LYS 55 3HG LYS 55 -10.882 2.824 2.200 436 HD2 LYS 55 2HD LYS 55 -12.119 4.446 3.571 437 HD3 LYS 55 3HD LYS 55 -11.968 4.983 1.899 438 HE2 LYS 55 2HE LYS 55 -14.247 4.301 1.435 439 HE3 LYS 55 3HE LYS 55 -14.407 3.625 3.055 440 HZ1 LYS 55 3HZ LYS 55 -15.436 5.809 2.869 441 HZ2 LYS 55 1HZ LYS 55 -13.952 6.494 2.434 442 HZ3 LYS 55 2HZ LYS 55 -14.162 5.828 3.976 443 H ARG 56 H ARG 56 -11.191 2.068 -2.004 444 HA ARG 56 HA ARG 56 -13.401 1.413 -3.615 445 HB2 ARG 56 2HB ARG 56 -11.883 3.129 -4.325 446 HB3 ARG 56 3HB ARG 56 -10.515 2.025 -4.291 447 HG2 ARG 56 2HG ARG 56 -11.516 0.770 -6.169 448 HG3 ARG 56 3HG ARG 56 -12.827 1.949 -6.230 449 HD2 ARG 56 2HD ARG 56 -11.332 3.699 -6.853 450 HD3 ARG 56 3HD ARG 56 -9.917 2.700 -6.511 451 HE ARG 56 HE ARG 56 -11.601 1.561 -8.511 452 HH11 ARG 56 1HH1 ARG 56 -9.183 3.982 -8.032 453 HH12 ARG 56 2HH1 ARG 56 -8.562 3.808 -9.641 454 HH21 ARG 56 1HH2 ARG 56 -10.805 1.378 -10.558 455 HH22 ARG 56 2HH2 ARG 56 -9.470 2.364 -11.051 456 H TYR 57 H TYR 57 -10.314 -0.294 -3.127 457 HA TYR 57 HA TYR 57 -10.826 -2.360 -5.001 458 HB2 TYR 57 2HB TYR 57 -8.550 -1.900 -4.291 459 HB3 TYR 57 3HB TYR 57 -8.952 -2.279 -2.620 460 HD1 TYR 57 HD1 TYR 57 -8.408 -3.735 -5.982 461 HD2 TYR 57 HD2 TYR 57 -9.055 -4.555 -1.851 462 HE1 TYR 57 HE1 TYR 57 -7.815 -6.094 -6.356 463 HE2 TYR 57 HE2 TYR 57 -8.456 -6.906 -2.220 464 HH TYR 57 HH TYR 57 -6.969 -8.027 -5.020 465 H GLU 58 H GLU 58 -11.491 -2.047 -1.536 466 HA GLU 58 HA GLU 58 -12.223 -4.788 -1.209 467 HB2 GLU 58 2HB GLU 58 -12.728 -2.401 0.580 468 HB3 GLU 58 3HB GLU 58 -13.010 -4.080 1.036 469 HG2 GLU 58 2HG GLU 58 -10.626 -4.566 0.654 470 HG3 GLU 58 3HG GLU 58 -10.356 -2.874 0.260 471 H ASP 59 H ASP 59 -13.867 -2.252 -2.687 472 HA ASP 59 HA ASP 59 -16.521 -3.360 -2.277 473 HB2 ASP 59 2HB ASP 59 -15.498 -1.333 -4.291 474 HB3 ASP 59 3HB ASP 59 -17.187 -1.786 -4.099 475 HA PRO 60 HA PRO 60 -16.219 -6.340 -5.668 476 HB2 PRO 60 2HB PRO 60 -18.870 -6.743 -6.133 477 HB3 PRO 60 3HB PRO 60 -18.026 -7.442 -4.745 478 HG2 PRO 60 2HG PRO 60 -19.763 -5.004 -4.877 479 HG3 PRO 60 3HG PRO 60 -19.706 -6.275 -3.640 480 HD2 PRO 60 2HD PRO 60 -18.499 -3.845 -3.336 481 HD3 PRO 60 3HD PRO 60 -17.887 -5.329 -2.577 482 H ASP 61 H ASP 61 -15.287 -4.739 -7.088 483 HA ASP 61 HA ASP 61 -16.749 -2.705 -8.380 484 HB2 ASP 61 2HB ASP 61 -14.358 -2.538 -8.099 485 HB3 ASP 61 3HB ASP 61 -14.096 -3.993 -9.052 486 H LYS 62 H LYS 62 -15.259 -5.533 -10.008 487 HA LYS 62 HA LYS 62 -16.875 -5.003 -12.345 488 HB2 LYS 62 2HB LYS 62 -14.468 -5.651 -12.487 489 HB3 LYS 62 3HB LYS 62 -14.893 -7.242 -11.874 490 HG2 LYS 62 2HG LYS 62 -14.642 -7.323 -14.270 491 HG3 LYS 62 3HG LYS 62 -16.330 -7.608 -13.837 492 HD2 LYS 62 2HD LYS 62 -16.230 -6.123 -15.752 493 HD3 LYS 62 3HD LYS 62 -16.819 -5.221 -14.353 494 HE2 LYS 62 2HE LYS 62 -14.483 -4.401 -14.000 495 HE3 LYS 62 3HE LYS 62 -14.034 -5.171 -15.521 496 HZ1 LYS 62 3HZ LYS 62 -15.723 -3.772 -16.621 497 HZ2 LYS 62 1HZ LYS 62 -14.495 -2.866 -15.891 498 HZ3 LYS 62 2HZ LYS 62 -16.004 -2.983 -15.147 499 H GLU 63 H GLU 63 -18.755 -5.924 -12.824 500 HA GLU 63 HA GLU 63 -19.649 -8.319 -11.392 501 HB2 GLU 63 2HB GLU 63 -21.139 -6.517 -13.320 502 HB3 GLU 63 3HB GLU 63 -21.843 -7.854 -12.422 503 HG2 GLU 63 2HG GLU 63 -21.244 -6.676 -10.314 504 HG3 GLU 63 3HG GLU 63 -20.716 -5.301 -11.285 505 H LEU 64 H LEU 64 -21.214 -9.666 -13.044 506 HA LEU 64 HA LEU 64 -21.275 -11.273 -14.637 507 HB2 LEU 64 2HB LEU 64 -19.644 -9.214 -16.108 508 HB3 LEU 64 3HB LEU 64 -20.032 -10.760 -16.834 509 HG LEU 64 HG LEU 64 -22.453 -10.238 -16.589 510 HD11 LEU 64 1HD1 LEU 64 -22.370 -8.687 -14.726 511 HD12 LEU 64 2HD1 LEU 64 -23.141 -7.927 -16.118 512 HD13 LEU 64 3HD1 LEU 64 -21.475 -7.523 -15.703 513 HD21 LEU 64 3HD2 LEU 64 -20.873 -8.184 -18.139 514 HD22 LEU 64 1HD2 LEU 64 -22.553 -8.643 -18.423 515 HD23 LEU 64 2HD2 LEU 64 -21.262 -9.815 -18.688 516 H GLU 65 H GLU 65 -18.697 -10.771 -12.802 517 HA GLU 65 HA GLU 65 -16.728 -12.412 -14.121 518 HB2 GLU 65 2HB GLU 65 -16.884 -11.120 -11.405 519 HB3 GLU 65 3HB GLU 65 -15.595 -12.249 -11.803 520 HG2 GLU 65 2HG GLU 65 -16.208 -9.691 -13.281 521 HG3 GLU 65 3HG GLU 65 -14.900 -9.930 -12.122 522 H HIS 66 H HIS 66 -19.486 -13.496 -13.260 523 HA HIS 66 HA HIS 66 -18.831 -15.622 -11.436 524 HB2 HIS 66 2HB HIS 66 -21.228 -15.251 -13.248 525 HB3 HIS 66 3HB HIS 66 -21.078 -16.499 -12.018 526 HD1 HIS 66 HD1 HIS 66 -22.195 -13.060 -12.500 527 HD2 HIS 66 HD2 HIS 66 -20.944 -15.413 -9.313 528 HE1 HIS 66 HE1 HIS 66 -22.973 -11.869 -10.437 529 HE2 HIS 66 HE2 HIS 66 -22.472 -13.465 -8.569 530 H HIS 67 H HIS 67 -18.186 -15.093 -14.691 531 HA HIS 67 HA HIS 67 -18.279 -17.788 -15.659 532 HB2 HIS 67 2HB HIS 67 -16.883 -16.829 -17.552 533 HB3 HIS 67 3HB HIS 67 -18.441 -16.062 -17.285 534 HD1 HIS 67 HD1 HIS 67 -18.095 -13.692 -17.917 535 HD2 HIS 67 HD2 HIS 67 -14.981 -15.117 -15.565 536 HE1 HIS 67 HE1 HIS 67 -16.610 -11.715 -17.497 537 HE2 HIS 67 HE2 HIS 67 -14.835 -12.561 -15.940 538 H HIS 68 H HIS 68 -16.836 -17.628 -13.182 539 HA HIS 68 HA HIS 68 -14.309 -18.831 -13.996 540 HB2 HIS 68 2HB HIS 68 -13.788 -16.436 -13.592 541 HB3 HIS 68 3HB HIS 68 -14.441 -16.581 -11.965 542 HD1 HIS 68 HD1 HIS 68 -13.062 -18.144 -10.298 543 HD2 HIS 68 HD2 HIS 68 -11.160 -17.218 -13.876 544 HE1 HIS 68 HE1 HIS 68 -10.641 -18.681 -9.928 545 HE2 HIS 68 HE2 HIS 68 -9.488 -17.977 -12.048 546 H HIS 69 H HIS 69 -13.588 -20.411 -12.587 547 HA HIS 69 HA HIS 69 -15.480 -21.730 -11.023 548 HB2 HIS 69 2HB HIS 69 -13.486 -22.802 -12.044 549 HB3 HIS 69 3HB HIS 69 -12.467 -22.012 -10.845 550 HD1 HIS 69 HD1 HIS 69 -15.470 -24.357 -10.859 551 HD2 HIS 69 HD2 HIS 69 -12.005 -23.612 -8.688 552 HE1 HIS 69 HE1 HIS 69 -15.418 -26.100 -9.058 553 HE2 HIS 69 HE2 HIS 69 -13.308 -25.654 -7.768 554 H HIS 70 H HIS 70 -15.795 -21.992 -8.824 555 HA HIS 70 HA HIS 70 -14.668 -19.889 -7.078 556 HB2 HIS 70 2HB HIS 70 -17.330 -21.333 -6.901 557 HB3 HIS 70 3HB HIS 70 -16.760 -20.109 -5.771 558 HD1 HIS 70 HD1 HIS 70 -18.044 -20.503 -9.291 559 HD2 HIS 70 HD2 HIS 70 -17.047 -17.485 -6.612 560 HE1 HIS 70 HE1 HIS 70 -18.891 -18.380 -10.322 561 HE2 HIS 70 HE2 HIS 70 -18.515 -16.630 -8.556 562 H HIS 71 H HIS 71 -15.464 -20.876 -4.610 563 HA HIS 71 HA HIS 71 -14.105 -23.492 -4.431 564 HB2 HIS 71 2HB HIS 71 -13.433 -22.814 -2.094 565 HB3 HIS 71 3HB HIS 71 -12.656 -21.918 -3.388 566 HD1 HIS 71 HD1 HIS 71 -15.126 -21.515 -0.595 567 HD2 HIS 71 HD2 HIS 71 -13.216 -19.177 -3.445 568 HE1 HIS 71 HE1 HIS 71 -15.520 -19.145 0.114 569 HE2 HIS 71 HE2 HIS 71 -14.147 -17.773 -1.477 Start of MODEL 20 1 H1 MET 1 1H MET 1 -31.070 -21.686 -10.207 2 H2 MET 1 2H MET 1 -30.823 -22.563 -11.632 3 H3 MET 1 3H MET 1 -31.843 -21.216 -11.635 4 HA MET 1 HA MET 1 -29.717 -20.704 -12.659 5 HB2 MET 1 2HB MET 1 -30.168 -19.349 -9.982 6 HB3 MET 1 3HB MET 1 -29.180 -18.702 -11.283 7 HG2 MET 1 2HG MET 1 -31.160 -18.577 -12.718 8 HG3 MET 1 3HG MET 1 -32.146 -19.208 -11.398 9 HE1 MET 1 3HE MET 1 -32.486 -17.961 -9.096 10 HE2 MET 1 1HE MET 1 -31.919 -16.325 -8.754 11 HE3 MET 1 2HE MET 1 -30.767 -17.653 -8.866 12 HA PRO 2 HA PRO 2 -26.023 -22.598 -11.045 13 HB2 PRO 2 2HB PRO 2 -24.136 -20.779 -11.887 14 HB3 PRO 2 3HB PRO 2 -24.878 -21.990 -12.937 15 HG2 PRO 2 2HG PRO 2 -25.577 -19.093 -12.599 16 HG3 PRO 2 3HG PRO 2 -25.445 -20.046 -14.091 17 HD2 PRO 2 2HD PRO 2 -27.837 -19.485 -12.999 18 HD3 PRO 2 3HD PRO 2 -27.524 -21.047 -13.787 19 H THR 3 H THR 3 -25.605 -22.615 -8.909 20 HA THR 3 HA THR 3 -25.632 -20.107 -7.396 21 HB THR 3 HB THR 3 -25.673 -21.563 -5.386 22 HG1 THR 3 HG1 THR 3 -24.553 -23.372 -6.250 23 HG21 THR 3 3HG2 THR 3 -27.922 -22.484 -5.727 24 HG22 THR 3 1HG2 THR 3 -27.740 -22.292 -7.472 25 HG23 THR 3 2HG2 THR 3 -27.787 -20.873 -6.428 26 H LYS 4 H LYS 4 -23.538 -19.295 -8.064 27 HA LYS 4 HA LYS 4 -21.465 -20.165 -6.244 28 HB2 LYS 4 2HB LYS 4 -21.019 -21.666 -8.110 29 HB3 LYS 4 3HB LYS 4 -20.997 -20.312 -9.230 30 HG2 LYS 4 2HG LYS 4 -18.748 -20.676 -8.943 31 HG3 LYS 4 3HG LYS 4 -19.039 -19.444 -7.719 32 HD2 LYS 4 2HD LYS 4 -18.970 -22.420 -7.186 33 HD3 LYS 4 3HD LYS 4 -17.605 -21.335 -6.950 34 HE2 LYS 4 2HE LYS 4 -18.870 -20.098 -5.261 35 HE3 LYS 4 3HE LYS 4 -20.263 -21.150 -5.523 36 HZ1 LYS 4 3HZ LYS 4 -17.621 -21.916 -4.411 37 HZ2 LYS 4 1HZ LYS 4 -18.814 -23.035 -4.847 38 HZ3 LYS 4 2HZ LYS 4 -19.108 -21.917 -3.612 39 HA PRO 5 HA PRO 5 -20.947 -15.669 -6.898 40 HB2 PRO 5 2HB PRO 5 -20.621 -15.003 -4.317 41 HB3 PRO 5 3HB PRO 5 -22.229 -15.308 -4.989 42 HG2 PRO 5 2HG PRO 5 -20.496 -17.109 -3.335 43 HG3 PRO 5 3HG PRO 5 -22.245 -16.836 -3.233 44 HD2 PRO 5 2HD PRO 5 -21.065 -18.984 -4.515 45 HD3 PRO 5 3HD PRO 5 -22.691 -18.371 -4.874 46 HA PRO 6 HA PRO 6 -16.464 -16.034 -6.747 47 HB2 PRO 6 2HB PRO 6 -15.796 -13.447 -7.204 48 HB3 PRO 6 3HB PRO 6 -16.436 -14.499 -8.472 49 HG2 PRO 6 2HG PRO 6 -17.872 -12.449 -6.812 50 HG3 PRO 6 3HG PRO 6 -17.979 -12.744 -8.558 51 HD2 PRO 6 2HD PRO 6 -19.828 -13.678 -6.804 52 HD3 PRO 6 3HD PRO 6 -19.407 -14.540 -8.295 53 H TYR 7 H TYR 7 -14.632 -15.324 -5.452 54 HA TYR 7 HA TYR 7 -15.255 -15.034 -2.717 55 HB2 TYR 7 2HB TYR 7 -12.811 -14.849 -2.374 56 HB3 TYR 7 3HB TYR 7 -13.233 -16.183 -3.440 57 HD1 TYR 7 HD2 TYR 7 -12.702 -16.071 -5.846 58 HD2 TYR 7 HD1 TYR 7 -11.543 -12.954 -3.181 59 HE1 TYR 7 HE2 TYR 7 -11.127 -15.220 -7.532 60 HE2 TYR 7 HE1 TYR 7 -9.965 -12.102 -4.861 61 HH TYR 7 HH TYR 7 -9.997 -13.071 -8.091 62 HA PRO 8 HA PRO 8 -15.517 -10.607 -2.247 63 HB2 PRO 8 2HB PRO 8 -15.069 -10.372 0.404 64 HB3 PRO 8 3HB PRO 8 -16.549 -11.100 -0.237 65 HG2 PRO 8 2HG PRO 8 -14.077 -12.450 0.807 66 HG3 PRO 8 3HG PRO 8 -15.780 -12.825 1.136 67 HD2 PRO 8 2HD PRO 8 -14.286 -14.201 -0.680 68 HD3 PRO 8 3HD PRO 8 -16.039 -13.976 -0.848 69 H ARG 9 H ARG 9 -14.280 -8.703 -1.528 70 HA ARG 9 HA ARG 9 -11.387 -9.120 -1.904 71 HB2 ARG 9 2HB ARG 9 -13.017 -6.576 -2.175 72 HB3 ARG 9 3HB ARG 9 -11.298 -6.726 -2.495 73 HG2 ARG 9 2HG ARG 9 -12.323 -6.728 -4.602 74 HG3 ARG 9 3HG ARG 9 -11.929 -8.419 -4.291 75 HD2 ARG 9 2HD ARG 9 -14.202 -8.055 -5.256 76 HD3 ARG 9 3HD ARG 9 -14.204 -8.908 -3.711 77 HE ARG 9 HE ARG 9 -14.538 -6.074 -3.426 78 HH11 ARG 9 1HH1 ARG 9 -16.200 -9.010 -4.101 79 HH12 ARG 9 2HH1 ARG 9 -17.705 -8.431 -3.482 80 HH21 ARG 9 1HH2 ARG 9 -16.459 -5.341 -2.618 81 HH22 ARG 9 2HH2 ARG 9 -17.844 -6.379 -2.620 82 H GLU 10 H GLU 10 -9.909 -8.456 -0.408 83 HA GLU 10 HA GLU 10 -10.649 -6.648 1.749 84 HB2 GLU 10 2HB GLU 10 -11.281 -8.844 2.644 85 HB3 GLU 10 3HB GLU 10 -9.672 -9.464 2.298 86 HG2 GLU 10 2HG GLU 10 -8.713 -7.912 3.924 87 HG3 GLU 10 3HG GLU 10 -10.319 -7.258 4.252 88 H ALA 11 H ALA 11 -9.021 -5.211 1.889 89 HA ALA 11 HA ALA 11 -6.317 -6.071 1.052 90 HB1 ALA 11 3HB ALA 11 -7.382 -4.592 -0.591 91 HB2 ALA 11 1HB ALA 11 -5.956 -3.850 0.132 92 HB3 ALA 11 2HB ALA 11 -7.569 -3.352 0.648 93 H TYR 12 H TYR 12 -4.551 -4.643 1.843 94 HA TYR 12 HA TYR 12 -5.010 -3.265 4.366 95 HB2 TYR 12 2HB TYR 12 -3.126 -4.577 5.447 96 HB3 TYR 12 3HB TYR 12 -4.626 -5.464 5.211 97 HD1 TYR 12 HD1 TYR 12 -4.778 -7.249 3.545 98 HD2 TYR 12 HD2 TYR 12 -1.110 -5.185 4.199 99 HE1 TYR 12 HE1 TYR 12 -3.574 -9.018 2.341 100 HE2 TYR 12 HE2 TYR 12 0.102 -6.953 2.986 101 HH TYR 12 HH TYR 12 -1.415 -9.256 1.064 102 H ILE 13 H ILE 13 -3.290 -1.868 4.973 103 HA ILE 13 HA ILE 13 -1.576 -1.101 2.701 104 HB ILE 13 HB ILE 13 -2.302 0.536 5.145 105 HG12 ILE 13 2HG1 ILE 13 -3.433 0.715 2.338 106 HG13 ILE 13 3HG1 ILE 13 -4.268 -0.013 3.705 107 HG21 ILE 13 1HG2 ILE 13 -0.213 1.257 4.166 108 HG22 ILE 13 2HG2 ILE 13 -1.468 2.436 3.785 109 HG23 ILE 13 3HG2 ILE 13 -0.938 1.288 2.556 110 HD11 ILE 13 3HD1 ILE 13 -4.282 2.144 4.848 111 HD12 ILE 13 1HD1 ILE 13 -5.069 2.236 3.273 112 HD13 ILE 13 2HD1 ILE 13 -3.438 2.875 3.481 113 H VAL 14 H VAL 14 0.544 -1.481 2.802 114 HA VAL 14 HA VAL 14 1.793 -2.083 5.405 115 HB VAL 14 HB VAL 14 2.773 -2.777 2.621 116 HG11 VAL 14 1HG1 VAL 14 4.405 -4.206 3.767 117 HG12 VAL 14 2HG1 VAL 14 3.816 -3.634 5.328 118 HG13 VAL 14 3HG1 VAL 14 4.608 -2.514 4.220 119 HG21 VAL 14 3HG2 VAL 14 1.474 -4.540 4.712 120 HG22 VAL 14 1HG2 VAL 14 2.145 -5.087 3.173 121 HG23 VAL 14 2HG2 VAL 14 0.744 -4.015 3.194 122 H THR 15 H THR 15 3.178 -0.639 6.248 123 HA THR 15 HA THR 15 4.108 1.607 4.633 124 HB THR 15 HB THR 15 4.903 2.589 6.726 125 HG1 THR 15 HG1 THR 15 5.575 0.766 7.872 126 HG21 THR 15 3HG2 THR 15 2.760 2.798 7.906 127 HG22 THR 15 1HG2 THR 15 2.138 1.399 7.027 128 HG23 THR 15 2HG2 THR 15 2.537 2.880 6.159 129 H ILE 16 H ILE 16 5.955 1.390 3.513 130 HA ILE 16 HA ILE 16 8.139 -0.244 4.669 131 HB ILE 16 HB ILE 16 8.958 -0.640 2.438 132 HG12 ILE 16 2HG1 ILE 16 6.683 1.086 1.412 133 HG13 ILE 16 3HG1 ILE 16 8.360 1.610 1.513 134 HG21 ILE 16 1HG2 ILE 16 7.066 -1.879 1.442 135 HG22 ILE 16 2HG2 ILE 16 5.968 -1.068 2.559 136 HG23 ILE 16 3HG2 ILE 16 7.214 -2.154 3.178 137 HD11 ILE 16 3HD1 ILE 16 9.005 -0.101 -0.079 138 HD12 ILE 16 1HD1 ILE 16 7.744 0.938 -0.740 139 HD13 ILE 16 2HD1 ILE 16 7.338 -0.674 -0.153 140 H GLU 17 H GLU 17 10.358 0.506 4.212 141 HA GLU 17 HA GLU 17 10.538 3.420 3.746 142 HB2 GLU 17 2HB GLU 17 12.464 3.479 5.306 143 HB3 GLU 17 3HB GLU 17 10.960 3.022 6.093 144 HG2 GLU 17 2HG GLU 17 11.634 0.701 6.128 145 HG3 GLU 17 3HG GLU 17 13.095 1.081 5.218 146 H LYS 18 H LYS 18 11.861 4.050 2.168 147 HA LYS 18 HA LYS 18 13.972 2.203 1.237 148 HB2 LYS 18 2HB LYS 18 12.083 3.835 -0.478 149 HB3 LYS 18 3HB LYS 18 13.538 3.062 -1.095 150 HG2 LYS 18 2HG LYS 18 12.612 0.871 -0.348 151 HG3 LYS 18 3HG LYS 18 11.111 1.701 0.070 152 HD2 LYS 18 2HD LYS 18 10.835 2.412 -2.248 153 HD3 LYS 18 3HD LYS 18 12.372 1.661 -2.683 154 HE2 LYS 18 2HE LYS 18 11.442 -0.537 -2.018 155 HE3 LYS 18 3HE LYS 18 9.899 0.244 -1.682 156 HZ1 LYS 18 3HZ LYS 18 11.247 0.140 -4.328 157 HZ2 LYS 18 1HZ LYS 18 9.763 0.888 -4.012 158 HZ3 LYS 18 2HZ LYS 18 9.917 -0.790 -3.862 159 H GLY 19 H GLY 19 15.515 3.470 -0.324 160 HA2 GLY 19 2HA GLY 19 16.729 5.416 -0.845 161 HA3 GLY 19 3HA GLY 19 15.844 6.283 0.400 162 H LYS 20 H LYS 20 17.419 7.126 1.639 163 HA LYS 20 HA LYS 20 19.835 5.630 2.254 164 HB2 LYS 20 2HB LYS 20 18.965 8.409 3.097 165 HB3 LYS 20 3HB LYS 20 20.568 7.725 3.330 166 HG2 LYS 20 2HG LYS 20 19.280 8.174 0.642 167 HG3 LYS 20 3HG LYS 20 20.409 9.288 1.410 168 HD2 LYS 20 2HD LYS 20 21.048 6.408 0.738 169 HD3 LYS 20 3HD LYS 20 21.451 7.782 -0.292 170 HE2 LYS 20 2HE LYS 20 22.424 7.352 2.536 171 HE3 LYS 20 3HE LYS 20 23.367 7.091 1.069 172 HZ1 LYS 20 3HZ LYS 20 23.031 9.472 0.554 173 HZ2 LYS 20 1HZ LYS 20 23.924 9.216 1.967 174 HZ3 LYS 20 2HZ LYS 20 22.299 9.676 2.061 175 HA PRO 21 HA PRO 21 18.541 3.889 6.175 176 HB2 PRO 21 2HB PRO 21 21.307 4.681 7.007 177 HB3 PRO 21 3HB PRO 21 20.475 3.132 7.201 178 HG2 PRO 21 2HG PRO 21 22.313 3.417 5.316 179 HG3 PRO 21 3HG PRO 21 20.820 2.523 4.971 180 HD2 PRO 21 2HD PRO 21 21.607 5.294 4.151 181 HD3 PRO 21 3HD PRO 21 20.700 4.062 3.246 182 H GLY 22 H GLY 22 20.559 6.856 6.401 183 HA2 GLY 22 2HA GLY 22 19.351 7.781 8.817 184 HA3 GLY 22 3HA GLY 22 20.312 8.746 7.709 185 H GLN 23 H GLN 23 19.002 8.984 5.475 186 HA GLN 23 HA GLN 23 16.453 10.247 6.207 187 HB2 GLN 23 2HB GLN 23 18.154 10.587 3.718 188 HB3 GLN 23 3HB GLN 23 16.666 11.460 4.061 189 HG2 GLN 23 2HG GLN 23 19.165 11.594 5.738 190 HG3 GLN 23 3HG GLN 23 18.701 12.775 4.512 191 HE21 GLN 23 1HE2 GLN 23 18.022 11.531 7.691 192 HE22 GLN 23 2HE2 GLN 23 16.982 12.820 8.178 193 H THR 24 H THR 24 15.295 8.244 6.271 194 HA THR 24 HA THR 24 14.977 6.709 3.827 195 HB THR 24 HB THR 24 13.317 5.376 5.144 196 HG1 THR 24 HG1 THR 24 13.481 5.864 7.524 197 HG21 THR 24 3HG2 THR 24 14.945 4.354 6.672 198 HG22 THR 24 1HG2 THR 24 16.011 5.747 6.466 199 HG23 THR 24 2HG2 THR 24 15.660 4.691 5.097 200 H VAL 25 H VAL 25 13.083 6.479 2.636 201 HA VAL 25 HA VAL 25 11.007 8.543 3.040 202 HB VAL 25 HB VAL 25 11.653 7.041 0.486 203 HG11 VAL 25 1HG1 VAL 25 10.184 8.716 -0.582 204 HG12 VAL 25 2HG1 VAL 25 9.798 9.371 1.010 205 HG13 VAL 25 3HG1 VAL 25 9.321 7.724 0.595 206 HG21 VAL 25 3HG2 VAL 25 12.598 9.162 -0.324 207 HG22 VAL 25 1HG2 VAL 25 13.481 8.550 1.078 208 HG23 VAL 25 2HG2 VAL 25 12.340 9.882 1.266 209 H THR 26 H THR 26 9.183 7.777 3.907 210 HA THR 26 HA THR 26 8.596 4.946 3.948 211 HB THR 26 HB THR 26 7.018 7.274 5.080 212 HG1 THR 26 HG1 THR 26 8.941 7.032 6.195 213 HG21 THR 26 3HG2 THR 26 6.684 4.293 5.491 214 HG22 THR 26 1HG2 THR 26 5.541 5.373 4.692 215 HG23 THR 26 2HG2 THR 26 5.854 5.542 6.422 216 H TRP 27 H TRP 27 7.526 3.931 2.375 217 HA TRP 27 HA TRP 27 5.532 5.434 0.797 218 HB2 TRP 27 2HB TRP 27 7.207 3.023 0.065 219 HB3 TRP 27 3HB TRP 27 5.864 3.597 -0.918 220 HD1 TRP 27 HD1 TRP 27 9.495 4.288 -0.153 221 HE1 TRP 27 HE1 TRP 27 10.328 6.213 -1.646 222 HE3 TRP 27 HE3 TRP 27 5.013 5.827 -2.061 223 HZ2 TRP 27 HZ2 TRP 27 9.229 8.141 -3.383 224 HZ3 TRP 27 HZ3 TRP 27 4.989 7.726 -3.624 225 HH2 TRP 27 HH2 TRP 27 7.053 8.856 -4.271 226 H TYR 28 H TYR 28 3.445 4.829 0.852 227 HA TYR 28 HA TYR 28 2.693 2.522 2.480 228 HB2 TYR 28 2HB TYR 28 1.038 4.721 1.217 229 HB3 TYR 28 3HB TYR 28 0.379 3.435 2.224 230 HD1 TYR 28 HD2 TYR 28 2.450 6.488 2.218 231 HD2 TYR 28 HD1 TYR 28 0.669 3.455 4.620 232 HE1 TYR 28 HE2 TYR 28 2.916 7.819 4.236 233 HE2 TYR 28 HE1 TYR 28 1.131 4.778 6.637 234 HH TYR 28 HH TYR 28 2.719 6.539 7.364 235 H GLN 29 H GLN 29 2.489 0.601 1.533 236 HA GLN 29 HA GLN 29 1.741 0.446 -1.312 237 HB2 GLN 29 2HB GLN 29 3.032 -1.615 0.490 238 HB3 GLN 29 3HB GLN 29 2.609 -1.881 -1.195 239 HG2 GLN 29 2HG GLN 29 4.150 0.021 -1.771 240 HG3 GLN 29 3HG GLN 29 4.686 -0.006 -0.093 241 HE21 GLN 29 1HE2 GLN 29 6.171 -0.554 -2.550 242 HE22 GLN 29 2HE2 GLN 29 6.826 -2.140 -2.359 243 H LEU 30 H LEU 30 -0.310 -0.060 -1.766 244 HA LEU 30 HA LEU 30 -2.010 -1.388 0.174 245 HB2 LEU 30 2HB LEU 30 -2.946 0.384 -1.226 246 HB3 LEU 30 3HB LEU 30 -2.555 -0.526 -2.676 247 HG LEU 30 HG LEU 30 -4.139 -2.314 -1.925 248 HD11 LEU 30 1HD1 LEU 30 -4.105 -1.892 0.464 249 HD12 LEU 30 2HD1 LEU 30 -5.753 -1.767 -0.150 250 HD13 LEU 30 3HD1 LEU 30 -4.838 -0.306 0.220 251 HD21 LEU 30 3HD2 LEU 30 -5.357 0.435 -2.193 252 HD22 LEU 30 1HD2 LEU 30 -6.159 -1.103 -2.515 253 HD23 LEU 30 2HD2 LEU 30 -4.814 -0.583 -3.528 254 H ARG 31 H ARG 31 -1.808 -3.532 0.438 255 HA ARG 31 HA ARG 31 -1.614 -5.229 -1.977 256 HB2 ARG 31 2HB ARG 31 -0.397 -5.798 0.740 257 HB3 ARG 31 3HB ARG 31 -0.362 -6.882 -0.647 258 HG2 ARG 31 2HG ARG 31 0.935 -5.159 -1.892 259 HG3 ARG 31 3HG ARG 31 0.991 -4.194 -0.414 260 HD2 ARG 31 2HD ARG 31 2.133 -6.060 0.732 261 HD3 ARG 31 3HD ARG 31 2.108 -6.978 -0.774 262 HE ARG 31 HE ARG 31 3.478 -4.382 -0.684 263 HH11 ARG 31 1HH1 ARG 31 3.589 -7.798 -1.088 264 HH12 ARG 31 2HH1 ARG 31 5.236 -7.802 -1.606 265 HH21 ARG 31 1HH2 ARG 31 5.603 -4.391 -1.328 266 HH22 ARG 31 2HH2 ARG 31 6.373 -5.889 -1.726 267 H ALA 32 H ALA 32 -2.462 -7.480 -1.592 268 HA ALA 32 HA ALA 32 -4.601 -7.597 0.431 269 HB1 ALA 32 3HB ALA 32 -6.192 -8.462 -1.214 270 HB2 ALA 32 1HB ALA 32 -5.001 -8.240 -2.496 271 HB3 ALA 32 2HB ALA 32 -5.654 -6.839 -1.646 272 H ASP 33 H ASP 33 -5.562 -9.899 0.513 273 HA ASP 33 HA ASP 33 -3.383 -11.842 0.423 274 HB2 ASP 33 2HB ASP 33 -6.217 -12.200 1.441 275 HB3 ASP 33 3HB ASP 33 -4.862 -13.298 1.703 276 H HIS 34 H HIS 34 -6.038 -10.887 -1.469 277 HA HIS 34 HA HIS 34 -5.673 -13.241 -3.213 278 HB2 HIS 34 2HB HIS 34 -8.166 -11.553 -2.857 279 HB3 HIS 34 3HB HIS 34 -7.978 -12.835 -4.050 280 HD1 HIS 34 HD1 HIS 34 -7.995 -15.299 -3.161 281 HD2 HIS 34 HD2 HIS 34 -8.662 -12.411 -0.245 282 HE1 HIS 34 HE1 HIS 34 -8.860 -16.544 -1.165 283 HE2 HIS 34 HE2 HIS 34 -9.093 -14.804 0.632 284 HA PRO 35 HA PRO 35 -5.683 -13.843 -5.468 285 HB2 PRO 35 2HB PRO 35 -3.113 -13.344 -6.853 286 HB3 PRO 35 3HB PRO 35 -4.582 -14.121 -7.451 287 HG2 PRO 35 2HG PRO 35 -3.887 -11.676 -8.279 288 HG3 PRO 35 3HG PRO 35 -5.589 -12.096 -7.995 289 HD2 PRO 35 2HD PRO 35 -3.702 -10.554 -6.234 290 HD3 PRO 35 3HD PRO 35 -5.399 -10.210 -6.635 291 H LYS 36 H LYS 36 -2.593 -12.196 -4.661 292 HA LYS 36 HA LYS 36 -2.097 -14.266 -2.618 293 HB2 LYS 36 2HB LYS 36 -0.054 -13.287 -4.633 294 HB3 LYS 36 3HB LYS 36 0.313 -14.306 -3.247 295 HG2 LYS 36 2HG LYS 36 -1.177 -16.049 -4.182 296 HG3 LYS 36 3HG LYS 36 -1.427 -15.035 -5.604 297 HD2 LYS 36 2HD LYS 36 1.220 -16.149 -4.653 298 HD3 LYS 36 3HD LYS 36 0.279 -16.739 -6.023 299 HE2 LYS 36 2HE LYS 36 0.583 -14.634 -7.185 300 HE3 LYS 36 3HE LYS 36 1.420 -13.950 -5.791 301 HZ1 LYS 36 3HZ LYS 36 2.979 -14.648 -7.469 302 HZ2 LYS 36 1HZ LYS 36 2.365 -16.225 -7.447 303 HZ3 LYS 36 2HZ LYS 36 3.162 -15.605 -6.089 304 HA PRO 37 HA PRO 37 -0.989 -10.947 0.207 305 HB2 PRO 37 2HB PRO 37 1.488 -12.576 0.679 306 HB3 PRO 37 3HB PRO 37 0.380 -11.849 1.850 307 HG2 PRO 37 2HG PRO 37 0.249 -14.449 1.362 308 HG3 PRO 37 3HG PRO 37 -1.242 -13.500 1.538 309 HD2 PRO 37 2HD PRO 37 0.044 -14.562 -0.946 310 HD3 PRO 37 3HD PRO 37 -1.679 -14.416 -0.540 311 H ASP 38 H ASP 38 1.358 -12.123 -2.123 312 HA ASP 38 HA ASP 38 3.159 -9.910 -1.928 313 HB2 ASP 38 2HB ASP 38 2.805 -11.954 -4.132 314 HB3 ASP 38 3HB ASP 38 4.176 -10.862 -3.961 315 H SER 39 H SER 39 0.184 -10.430 -3.603 316 HA SER 39 HA SER 39 0.506 -8.881 -5.903 317 HB2 SER 39 2HB SER 39 -2.021 -9.379 -4.306 318 HB3 SER 39 3HB SER 39 -1.967 -8.754 -5.955 319 HG SER 39 HG SER 39 -0.854 -10.736 -6.516 320 H LEU 40 H LEU 40 1.280 -6.876 -5.871 321 HA LEU 40 HA LEU 40 0.342 -4.928 -3.899 322 HB2 LEU 40 2HB LEU 40 2.728 -5.053 -4.229 323 HB3 LEU 40 3HB LEU 40 2.552 -4.842 -5.960 324 HG LEU 40 HG LEU 40 1.794 -2.532 -5.621 325 HD11 LEU 40 1HD1 LEU 40 2.223 -3.112 -2.687 326 HD12 LEU 40 2HD1 LEU 40 0.692 -2.738 -3.479 327 HD13 LEU 40 3HD1 LEU 40 1.952 -1.510 -3.375 328 HD21 LEU 40 3HD2 LEU 40 3.921 -1.603 -4.810 329 HD22 LEU 40 1HD2 LEU 40 4.173 -2.946 -5.922 330 HD23 LEU 40 2HD2 LEU 40 4.373 -3.189 -4.189 331 H ILE 41 H ILE 41 -1.204 -3.484 -4.357 332 HA ILE 41 HA ILE 41 -2.284 -3.300 -7.046 333 HB ILE 41 HB ILE 41 -3.205 -1.899 -4.527 334 HG12 ILE 41 2HG1 ILE 41 -3.298 -4.331 -4.258 335 HG13 ILE 41 3HG1 ILE 41 -4.921 -3.665 -4.385 336 HG21 ILE 41 1HG2 ILE 41 -3.998 -0.789 -6.538 337 HG22 ILE 41 2HG2 ILE 41 -5.334 -1.616 -5.736 338 HG23 ILE 41 3HG2 ILE 41 -4.598 -2.321 -7.173 339 HD11 ILE 41 3HD1 ILE 41 -5.050 -4.397 -6.704 340 HD12 ILE 41 1HD1 ILE 41 -4.695 -5.742 -5.625 341 HD13 ILE 41 2HD1 ILE 41 -3.408 -5.035 -6.601 342 H SER 42 H SER 42 -0.969 -0.998 -4.640 343 HA SER 42 HA SER 42 0.289 0.629 -6.620 344 HB2 SER 42 2HB SER 42 -1.944 1.413 -7.104 345 HB3 SER 42 3HB SER 42 -2.281 1.672 -5.394 346 HG SER 42 HG SER 42 -0.336 3.063 -6.945 347 H GLU 43 H GLU 43 1.679 2.169 -5.746 348 HA GLU 43 HA GLU 43 1.869 2.275 -2.800 349 HB2 GLU 43 2HB GLU 43 3.974 3.158 -4.792 350 HB3 GLU 43 3HB GLU 43 4.173 2.916 -3.062 351 HG2 GLU 43 2HG GLU 43 5.091 0.976 -3.727 352 HG3 GLU 43 3HG GLU 43 3.414 0.437 -3.768 353 H HIS 44 H HIS 44 1.795 4.240 -1.727 354 HA HIS 44 HA HIS 44 1.669 6.705 -3.317 355 HB2 HIS 44 2HB HIS 44 -0.457 5.774 -1.384 356 HB3 HIS 44 3HB HIS 44 -0.300 7.457 -1.881 357 HD1 HIS 44 HD1 HIS 44 -1.040 8.058 -4.280 358 HD2 HIS 44 HD2 HIS 44 -1.430 4.023 -3.369 359 HE1 HIS 44 HE1 HIS 44 -2.432 7.081 -6.121 360 HE2 HIS 44 HE2 HIS 44 -2.427 4.610 -5.677 361 HA PRO 45 HA PRO 45 4.120 8.433 -0.050 362 HB2 PRO 45 2HB PRO 45 2.905 11.058 -0.510 363 HB3 PRO 45 3HB PRO 45 4.554 10.522 -0.833 364 HG2 PRO 45 2HG PRO 45 2.743 11.055 -2.790 365 HG3 PRO 45 3HG PRO 45 4.063 9.887 -2.981 366 HD2 PRO 45 2HD PRO 45 1.159 9.418 -2.447 367 HD3 PRO 45 3HD PRO 45 2.290 8.479 -3.444 368 H THR 46 H THR 46 0.690 9.398 -0.139 369 HA THR 46 HA THR 46 0.735 9.768 2.794 370 HB THR 46 HB THR 46 -1.355 10.970 2.606 371 HG1 THR 46 HG1 THR 46 -1.370 10.868 -0.198 372 HG21 THR 46 3HG2 THR 46 0.591 11.889 0.483 373 HG22 THR 46 1HG2 THR 46 0.660 12.286 2.201 374 HG23 THR 46 2HG2 THR 46 -0.674 12.879 1.210 375 H ALA 47 H ALA 47 -0.745 8.714 4.141 376 HA ALA 47 HA ALA 47 -1.628 6.132 3.388 377 HB1 ALA 47 3HB ALA 47 -1.091 6.749 5.707 378 HB2 ALA 47 1HB ALA 47 -2.702 6.045 5.569 379 HB3 ALA 47 2HB ALA 47 -2.513 7.790 5.753 380 H GLN 48 H GLN 48 -3.191 9.272 3.381 381 HA GLN 48 HA GLN 48 -5.877 8.536 3.227 382 HB2 GLN 48 2HB GLN 48 -5.141 10.852 3.542 383 HB3 GLN 48 3HB GLN 48 -4.485 10.886 1.912 384 HG2 GLN 48 2HG GLN 48 -6.628 12.050 2.045 385 HG3 GLN 48 3HG GLN 48 -6.718 10.649 0.978 386 HE21 GLN 48 1HE2 GLN 48 -7.988 8.895 1.575 387 HE22 GLN 48 2HE2 GLN 48 -9.128 8.974 2.870 388 H GLU 49 H GLU 49 -3.591 9.097 0.534 389 HA GLU 49 HA GLU 49 -5.287 8.379 -1.579 390 HB2 GLU 49 2HB GLU 49 -2.296 7.990 -1.325 391 HB3 GLU 49 3HB GLU 49 -3.197 7.866 -2.827 392 HG2 GLU 49 2HG GLU 49 -3.781 10.204 -2.721 393 HG3 GLU 49 3HG GLU 49 -3.010 10.354 -1.141 394 H ALA 50 H ALA 50 -3.121 6.384 0.401 395 HA ALA 50 HA ALA 50 -3.587 3.926 -0.890 396 HB1 ALA 50 3HB ALA 50 -2.623 2.899 1.092 397 HB2 ALA 50 1HB ALA 50 -2.848 4.395 2.001 398 HB3 ALA 50 2HB ALA 50 -1.714 4.346 0.651 399 H MET 51 H MET 51 -5.340 5.573 1.699 400 HA MET 51 HA MET 51 -7.127 3.450 2.316 401 HB2 MET 51 2HB MET 51 -7.399 6.439 2.691 402 HB3 MET 51 3HB MET 51 -8.555 5.264 3.303 403 HG2 MET 51 2HG MET 51 -6.821 4.257 4.687 404 HG3 MET 51 3HG MET 51 -5.644 5.417 4.069 405 HE1 MET 51 3HE MET 51 -6.163 4.956 7.181 406 HE2 MET 51 1HE MET 51 -6.194 6.621 7.763 407 HE3 MET 51 2HE MET 51 -5.004 6.131 6.559 408 H ASP 52 H ASP 52 -7.353 6.224 0.099 409 HA ASP 52 HA ASP 52 -9.956 5.835 -0.844 410 HB2 ASP 52 2HB ASP 52 -8.525 7.814 -1.354 411 HB3 ASP 52 3HB ASP 52 -7.562 6.811 -2.436 412 H ALA 53 H ALA 53 -6.893 4.554 -2.147 413 HA ALA 53 HA ALA 53 -8.031 2.915 -4.139 414 HB1 ALA 53 3HB ALA 53 -5.408 2.516 -2.696 415 HB2 ALA 53 1HB ALA 53 -5.660 3.582 -4.077 416 HB3 ALA 53 2HB ALA 53 -5.863 1.841 -4.262 417 H LYS 54 H LYS 54 -7.293 2.296 -0.728 418 HA LYS 54 HA LYS 54 -7.832 -0.469 -0.680 419 HB2 LYS 54 2HB LYS 54 -6.742 0.862 1.148 420 HB3 LYS 54 3HB LYS 54 -8.322 1.513 1.557 421 HG2 LYS 54 2HG LYS 54 -9.118 -0.737 2.099 422 HG3 LYS 54 3HG LYS 54 -7.542 -1.404 1.663 423 HD2 LYS 54 2HD LYS 54 -6.515 0.019 3.437 424 HD3 LYS 54 3HD LYS 54 -8.136 0.528 3.913 425 HE2 LYS 54 2HE LYS 54 -7.113 -2.316 3.929 426 HE3 LYS 54 3HE LYS 54 -7.268 -1.277 5.343 427 HZ1 LYS 54 3HZ LYS 54 -9.495 -2.213 3.618 428 HZ2 LYS 54 1HZ LYS 54 -9.658 -1.179 4.944 429 HZ3 LYS 54 2HZ LYS 54 -9.135 -2.769 5.170 430 H LYS 55 H LYS 55 -9.976 2.327 -0.127 431 HA LYS 55 HA LYS 55 -12.410 0.995 0.204 432 HB2 LYS 55 2HB LYS 55 -11.944 3.561 -1.343 433 HB3 LYS 55 3HB LYS 55 -13.487 3.007 -0.722 434 HG2 LYS 55 2HG LYS 55 -12.681 3.286 1.565 435 HG3 LYS 55 3HG LYS 55 -11.109 3.817 0.947 436 HD2 LYS 55 2HD LYS 55 -12.261 5.668 -0.249 437 HD3 LYS 55 3HD LYS 55 -13.776 5.174 0.502 438 HE2 LYS 55 2HE LYS 55 -12.832 5.634 2.711 439 HE3 LYS 55 3HE LYS 55 -11.303 6.104 1.966 440 HZ1 LYS 55 3HZ LYS 55 -12.483 7.891 0.812 441 HZ2 LYS 55 1HZ LYS 55 -12.623 8.043 2.490 442 HZ3 LYS 55 2HZ LYS 55 -13.922 7.453 1.582 443 H ARG 56 H ARG 56 -10.897 2.186 -2.762 444 HA ARG 56 HA ARG 56 -12.895 1.398 -4.549 445 HB2 ARG 56 2HB ARG 56 -10.908 3.034 -4.805 446 HB3 ARG 56 3HB ARG 56 -9.992 1.619 -5.310 447 HG2 ARG 56 2HG ARG 56 -11.399 1.273 -7.195 448 HG3 ARG 56 3HG ARG 56 -12.568 2.462 -6.613 449 HD2 ARG 56 2HD ARG 56 -9.776 2.969 -7.641 450 HD3 ARG 56 3HD ARG 56 -11.301 3.490 -8.360 451 HE ARG 56 HE ARG 56 -10.002 4.639 -5.997 452 HH11 ARG 56 1HH1 ARG 56 -12.637 4.698 -8.222 453 HH12 ARG 56 2HH1 ARG 56 -13.134 6.283 -7.746 454 HH21 ARG 56 1HH2 ARG 56 -10.637 6.668 -5.418 455 HH22 ARG 56 2HH2 ARG 56 -11.998 7.398 -6.202 456 H TYR 57 H TYR 57 -10.266 -0.463 -3.175 457 HA TYR 57 HA TYR 57 -10.444 -2.637 -5.048 458 HB2 TYR 57 2HB TYR 57 -8.365 -2.281 -3.852 459 HB3 TYR 57 3HB TYR 57 -9.180 -2.458 -2.302 460 HD1 TYR 57 HD1 TYR 57 -8.152 -4.297 -5.369 461 HD2 TYR 57 HD2 TYR 57 -9.506 -4.608 -1.341 462 HE1 TYR 57 HE1 TYR 57 -7.679 -6.712 -5.398 463 HE2 TYR 57 HE2 TYR 57 -9.034 -7.017 -1.362 464 HH TYR 57 HH TYR 57 -7.220 -8.535 -3.799 465 H GLU 58 H GLU 58 -11.484 -2.274 -1.635 466 HA GLU 58 HA GLU 58 -12.910 -4.770 -1.661 467 HB2 GLU 58 2HB GLU 58 -12.918 -2.495 0.337 468 HB3 GLU 58 3HB GLU 58 -13.691 -4.056 0.596 469 HG2 GLU 58 2HG GLU 58 -11.565 -5.187 0.494 470 HG3 GLU 58 3HG GLU 58 -10.744 -3.693 0.052 471 H ASP 59 H ASP 59 -14.015 -1.369 -1.466 472 HA ASP 59 HA ASP 59 -16.659 -2.048 -2.449 473 HB2 ASP 59 2HB ASP 59 -15.286 0.607 -1.929 474 HB3 ASP 59 3HB ASP 59 -16.938 0.462 -2.522 475 HA PRO 60 HA PRO 60 -14.461 -2.172 -6.349 476 HB2 PRO 60 2HB PRO 60 -16.167 -3.705 -7.740 477 HB3 PRO 60 3HB PRO 60 -15.210 -4.350 -6.401 478 HG2 PRO 60 2HG PRO 60 -18.080 -3.497 -6.437 479 HG3 PRO 60 3HG PRO 60 -17.347 -4.926 -5.685 480 HD2 PRO 60 2HD PRO 60 -17.981 -2.613 -4.326 481 HD3 PRO 60 3HD PRO 60 -16.737 -3.766 -3.805 482 H ASP 61 H ASP 61 -14.505 -0.029 -7.168 483 HA ASP 61 HA ASP 61 -16.635 0.892 -8.818 484 HB2 ASP 61 2HB ASP 61 -13.651 1.434 -8.883 485 HB3 ASP 61 3HB ASP 61 -14.779 2.190 -10.003 486 H LYS 62 H LYS 62 -17.352 -1.005 -9.815 487 HA LYS 62 HA LYS 62 -15.874 -3.058 -10.844 488 HB2 LYS 62 2HB LYS 62 -17.944 -3.618 -12.189 489 HB3 LYS 62 3HB LYS 62 -18.171 -3.391 -10.459 490 HG2 LYS 62 2HG LYS 62 -18.942 -1.071 -10.918 491 HG3 LYS 62 3HG LYS 62 -18.833 -1.421 -12.644 492 HD2 LYS 62 2HD LYS 62 -20.511 -3.151 -12.449 493 HD3 LYS 62 3HD LYS 62 -20.542 -2.973 -10.693 494 HE2 LYS 62 2HE LYS 62 -21.384 -0.688 -10.933 495 HE3 LYS 62 3HE LYS 62 -21.331 -0.846 -12.688 496 HZ1 LYS 62 3HZ LYS 62 -23.558 -1.188 -11.873 497 HZ2 LYS 62 1HZ LYS 62 -23.042 -2.428 -10.843 498 HZ3 LYS 62 2HZ LYS 62 -22.968 -2.637 -12.517 499 H GLU 63 H GLU 63 -17.098 -0.306 -12.802 500 HA GLU 63 HA GLU 63 -15.633 -1.415 -15.090 501 HB2 GLU 63 2HB GLU 63 -16.937 0.124 -16.486 502 HB3 GLU 63 3HB GLU 63 -17.967 -0.923 -15.521 503 HG2 GLU 63 2HG GLU 63 -18.456 0.868 -13.992 504 HG3 GLU 63 3HG GLU 63 -17.303 1.927 -14.802 505 H LEU 64 H LEU 64 -13.774 -0.586 -15.758 506 HA LEU 64 HA LEU 64 -12.689 1.826 -14.622 507 HB2 LEU 64 2HB LEU 64 -11.671 0.045 -16.845 508 HB3 LEU 64 3HB LEU 64 -10.773 1.384 -16.154 509 HG LEU 64 HG LEU 64 -11.611 -1.133 -14.700 510 HD11 LEU 64 1HD1 LEU 64 -9.795 -1.520 -16.270 511 HD12 LEU 64 2HD1 LEU 64 -9.198 -1.593 -14.613 512 HD13 LEU 64 3HD1 LEU 64 -8.896 -0.161 -15.599 513 HD21 LEU 64 3HD2 LEU 64 -11.645 0.769 -13.183 514 HD22 LEU 64 1HD2 LEU 64 -10.031 1.250 -13.716 515 HD23 LEU 64 2HD2 LEU 64 -10.256 -0.262 -12.838 516 H GLU 65 H GLU 65 -11.465 3.262 -16.438 517 HA GLU 65 HA GLU 65 -13.466 4.886 -17.524 518 HB2 GLU 65 2HB GLU 65 -10.548 4.779 -18.311 519 HB3 GLU 65 3HB GLU 65 -11.648 6.122 -18.596 520 HG2 GLU 65 2HG GLU 65 -11.874 6.491 -16.211 521 HG3 GLU 65 3HG GLU 65 -10.859 5.089 -15.877 522 H HIS 66 H HIS 66 -13.985 5.400 -19.699 523 HA HIS 66 HA HIS 66 -13.479 3.243 -21.655 524 HB2 HIS 66 2HB HIS 66 -15.833 3.823 -22.537 525 HB3 HIS 66 3HB HIS 66 -15.724 2.883 -21.055 526 HD1 HIS 66 HD1 HIS 66 -16.334 6.471 -22.149 527 HD2 HIS 66 HD2 HIS 66 -17.043 3.955 -18.924 528 HE1 HIS 66 HE1 HIS 66 -17.779 7.783 -20.580 529 HE2 HIS 66 HE2 HIS 66 -18.080 6.297 -18.580 530 H HIS 67 H HIS 67 -12.163 4.090 -23.149 531 HA HIS 67 HA HIS 67 -12.187 6.933 -23.729 532 HB2 HIS 67 2HB HIS 67 -10.492 4.712 -24.906 533 HB3 HIS 67 3HB HIS 67 -10.236 6.439 -25.148 534 HD1 HIS 67 HD1 HIS 67 -9.890 7.784 -22.731 535 HD2 HIS 67 HD2 HIS 67 -9.023 3.721 -22.849 536 HE1 HIS 67 HE1 HIS 67 -8.456 7.343 -20.722 537 HE2 HIS 67 HE2 HIS 67 -8.007 4.871 -20.768 538 H HIS 68 H HIS 68 -13.124 7.922 -25.415 539 HA HIS 68 HA HIS 68 -13.936 6.342 -27.763 540 HB2 HIS 68 2HB HIS 68 -15.898 6.522 -26.265 541 HB3 HIS 68 3HB HIS 68 -15.759 8.277 -26.305 542 HD1 HIS 68 HD1 HIS 68 -16.513 9.477 -28.493 543 HD2 HIS 68 HD2 HIS 68 -17.047 5.356 -28.524 544 HE1 HIS 68 HE1 HIS 68 -17.983 9.004 -30.469 545 HE2 HIS 68 HE2 HIS 68 -18.413 6.532 -30.373 546 H HIS 69 H HIS 69 -13.312 7.288 -29.591 547 HA HIS 69 HA HIS 69 -11.893 9.700 -29.692 548 HB2 HIS 69 2HB HIS 69 -13.262 8.220 -31.952 549 HB3 HIS 69 3HB HIS 69 -12.041 9.470 -32.155 550 HD1 HIS 69 HD1 HIS 69 -12.450 5.861 -31.581 551 HD2 HIS 69 HD2 HIS 69 -9.414 8.684 -31.252 552 HE1 HIS 69 HE1 HIS 69 -10.317 4.545 -31.430 553 HE2 HIS 69 HE2 HIS 69 -8.494 6.273 -31.433 554 H HIS 70 H HIS 70 -12.417 11.794 -30.270 555 HA HIS 70 HA HIS 70 -15.308 12.409 -30.504 556 HB2 HIS 70 2HB HIS 70 -14.881 14.509 -29.355 557 HB3 HIS 70 3HB HIS 70 -14.258 13.181 -28.387 558 HD1 HIS 70 HD1 HIS 70 -11.765 13.145 -27.896 559 HD2 HIS 70 HD2 HIS 70 -12.853 16.159 -30.543 560 HE1 HIS 70 HE1 HIS 70 -9.740 14.605 -28.122 561 HE2 HIS 70 HE2 HIS 70 -10.366 16.316 -29.851 562 H HIS 71 H HIS 71 -15.982 14.044 -31.950 563 HA HIS 71 HA HIS 71 -13.992 15.609 -33.351 564 HB2 HIS 71 2HB HIS 71 -14.683 15.019 -35.613 565 HB3 HIS 71 3HB HIS 71 -14.098 13.602 -34.761 566 HD1 HIS 71 HD1 HIS 71 -16.076 11.930 -33.880 567 HD2 HIS 71 HD2 HIS 71 -17.126 14.734 -36.763 568 HE1 HIS 71 HE1 HIS 71 -18.219 11.098 -34.879 569 HE2 HIS 71 HE2 HIS 71 -18.771 12.743 -36.700
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