NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15673 | 1ysm | 6498 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 -17.299 9.185 10.320 2 HA MET 1 HA MET 1 -16.054 10.979 8.994 3 1HB MET 1 2HB MET 1 -14.578 11.092 11.671 4 2HB MET 1 3HB MET 1 -13.976 11.747 10.139 5 1HG MET 1 2HG MET 1 -16.018 13.203 10.006 6 2HG MET 1 3HG MET 1 -16.517 12.583 11.584 7 1HE MET 1 1HE MET 1 -12.862 15.329 10.869 8 2HE MET 1 2HE MET 1 -12.807 13.620 10.400 9 3HE MET 1 3HE MET 1 -13.939 14.729 9.586 10 H ALA 2 H ALA 2 -14.574 8.813 11.436 11 HA ALA 2 HA ALA 2 -12.683 7.537 9.751 12 1HB ALA 2 1HB ALA 2 -14.233 6.378 12.104 13 2HB ALA 2 2HB ALA 2 -12.755 5.702 11.383 14 3HB ALA 2 3HB ALA 2 -12.701 7.281 12.191 15 H SER 3 H SER 3 -16.154 7.009 10.220 16 HA SER 3 HA SER 3 -16.665 4.690 8.699 17 1HB SER 3 2HB SER 3 -18.873 6.055 8.372 18 2HB SER 3 3HB SER 3 -18.386 5.644 10.026 19 HG SER 3 HG SER 3 -18.952 7.885 9.755 20 H VAL 4 H VAL 4 -16.875 8.112 7.749 21 HA VAL 4 HA VAL 4 -17.295 7.729 4.991 22 HB VAL 4 HB VAL 4 -15.925 10.078 6.380 23 1HG1 VAL 4 1HG1 VAL 4 -16.710 11.378 4.418 24 2HG1 VAL 4 2HG1 VAL 4 -15.508 10.166 3.984 25 3HG1 VAL 4 3HG1 VAL 4 -17.223 9.867 3.633 26 1HG2 VAL 4 1HG2 VAL 4 -18.164 9.669 7.319 27 2HG2 VAL 4 2HG2 VAL 4 -18.192 11.100 6.289 28 3HG2 VAL 4 3HG2 VAL 4 -18.850 9.564 5.685 29 H LEU 5 H LEU 5 -14.194 8.375 6.687 30 HA LEU 5 HA LEU 5 -12.477 8.176 4.456 31 1HB LEU 5 2HB LEU 5 -11.994 7.366 7.351 32 2HB LEU 5 3HB LEU 5 -10.729 7.546 6.135 33 HG LEU 5 HG LEU 5 -12.537 9.821 7.103 34 1HD1 LEU 5 1HD1 LEU 5 -9.624 9.183 7.712 35 2HD1 LEU 5 2HD1 LEU 5 -10.524 10.616 8.252 36 3HD1 LEU 5 3HD1 LEU 5 -10.983 9.012 8.843 37 1HD2 LEU 5 1HD2 LEU 5 -11.791 10.261 4.819 38 2HD2 LEU 5 2HD2 LEU 5 -10.860 11.252 5.944 39 3HD2 LEU 5 3HD2 LEU 5 -10.125 9.796 5.243 40 H GLU 6 H GLU 6 -13.558 5.557 6.669 41 HA GLU 6 HA GLU 6 -12.170 3.441 5.443 42 1HB GLU 6 2HB GLU 6 -13.271 3.306 7.633 43 2HB GLU 6 3HB GLU 6 -14.864 3.416 6.870 44 1HG GLU 6 2HG GLU 6 -14.463 1.268 5.698 45 2HG GLU 6 3HG GLU 6 -12.845 1.179 6.420 46 H GLU 7 H GLU 7 -15.525 4.621 4.791 47 HA GLU 7 HA GLU 7 -16.051 2.728 2.728 48 1HB GLU 7 2HB GLU 7 -17.191 5.516 3.199 49 2HB GLU 7 3HB GLU 7 -17.829 4.363 2.018 50 1HG GLU 7 2HG GLU 7 -17.663 3.837 5.025 51 2HG GLU 7 3HG GLU 7 -19.109 4.337 4.145 52 H LEU 8 H LEU 8 -14.759 6.079 2.483 53 HA LEU 8 HA LEU 8 -14.506 6.071 -0.363 54 1HB LEU 8 2HB LEU 8 -12.857 7.487 1.758 55 2HB LEU 8 3HB LEU 8 -12.762 7.846 0.030 56 HG LEU 8 HG LEU 8 -15.354 8.112 1.612 57 1HD1 LEU 8 1HD1 LEU 8 -14.827 10.534 1.651 58 2HD1 LEU 8 2HD1 LEU 8 -13.631 9.593 2.563 59 3HD1 LEU 8 3HD1 LEU 8 -13.233 10.191 0.941 60 1HD2 LEU 8 1HD2 LEU 8 -16.036 9.557 -0.242 61 2HD2 LEU 8 2HD2 LEU 8 -14.490 9.292 -1.060 62 3HD2 LEU 8 3HD2 LEU 8 -15.640 7.950 -0.862 63 H GLN 9 H GLN 9 -12.174 5.080 2.192 64 HA GLN 9 HA GLN 9 -10.080 4.351 0.459 65 1HB GLN 9 2HB GLN 9 -9.759 4.618 2.851 66 2HB GLN 9 3HB GLN 9 -10.864 3.285 3.200 67 1HG GLN 9 2HG GLN 9 -8.559 2.594 3.495 68 2HG GLN 9 3HG GLN 9 -9.298 1.664 2.196 69 1HE2 GLN 9 1HE2 GLN 9 -8.745 2.330 -0.095 70 2HE2 GLN 9 2HE2 GLN 9 -7.166 3.067 -0.344 71 H LYS 10 H LYS 10 -12.816 2.394 1.713 72 HA LYS 10 HA LYS 10 -12.089 -0.074 0.536 73 1HB LYS 10 2HB LYS 10 -13.714 0.156 2.293 74 2HB LYS 10 3HB LYS 10 -14.809 1.087 1.280 75 1HG LYS 10 2HG LYS 10 -13.998 -1.721 0.446 76 2HG LYS 10 3HG LYS 10 -15.180 -1.469 1.739 77 1HD LYS 10 2HD LYS 10 -16.544 -0.026 0.206 78 2HD LYS 10 3HD LYS 10 -15.466 -0.467 -1.130 79 1HE LYS 10 2HE LYS 10 -16.022 -2.854 -0.809 80 2HE LYS 10 3HE LYS 10 -17.059 -2.442 0.570 81 1HZ LYS 10 1HZ LYS 10 -18.303 -2.729 -1.440 82 2HZ LYS 10 2HZ LYS 10 -18.433 -1.176 -0.898 83 3HZ LYS 10 3HZ LYS 10 -17.463 -1.523 -2.186 84 H ASP 11 H ASP 11 -14.249 2.540 -0.708 85 HA ASP 11 HA ASP 11 -14.771 1.321 -3.213 86 1HB ASP 11 2HB ASP 11 -15.974 3.298 -2.267 87 2HB ASP 11 3HB ASP 11 -14.572 4.308 -2.653 88 H LEU 12 H LEU 12 -12.152 3.585 -2.260 89 HA LEU 12 HA LEU 12 -10.855 3.723 -4.741 90 1HB LEU 12 2HB LEU 12 -10.525 5.186 -2.791 91 2HB LEU 12 3HB LEU 12 -9.596 3.930 -1.975 92 HG LEU 12 HG LEU 12 -8.757 4.759 -4.761 93 1HD1 LEU 12 1HD1 LEU 12 -7.458 6.655 -3.837 94 2HD1 LEU 12 2HD1 LEU 12 -9.203 6.912 -3.676 95 3HD1 LEU 12 3HD1 LEU 12 -8.245 6.423 -2.260 96 1HD2 LEU 12 1HD2 LEU 12 -7.152 4.162 -2.231 97 2HD2 LEU 12 2HD2 LEU 12 -7.512 2.969 -3.492 98 3HD2 LEU 12 3HD2 LEU 12 -6.507 4.374 -3.869 99 H GLU 13 H GLU 13 -10.528 1.315 -2.092 100 HA GLU 13 HA GLU 13 -8.376 -0.145 -3.274 101 1HB GLU 13 2HB GLU 13 -9.132 -0.319 -0.899 102 2HB GLU 13 3HB GLU 13 -10.562 -1.214 -1.441 103 1HG GLU 13 2HG GLU 13 -9.116 -2.984 -2.382 104 2HG GLU 13 3HG GLU 13 -7.671 -2.056 -1.944 105 H GLU 14 H GLU 14 -11.949 -0.577 -3.480 106 HA GLU 14 HA GLU 14 -11.916 -2.752 -5.314 107 1HB GLU 14 2HB GLU 14 -13.939 -0.491 -5.016 108 2HB GLU 14 3HB GLU 14 -14.162 -1.922 -6.030 109 1HG GLU 14 2HG GLU 14 -13.903 -3.396 -4.058 110 2HG GLU 14 3HG GLU 14 -13.717 -1.984 -3.012 111 H VAL 15 H VAL 15 -11.825 0.788 -5.936 112 HA VAL 15 HA VAL 15 -11.617 0.658 -8.748 113 HB VAL 15 HB VAL 15 -10.645 2.663 -6.711 114 1HG1 VAL 15 1HG1 VAL 15 -10.192 2.858 -9.707 115 2HG1 VAL 15 2HG1 VAL 15 -10.060 4.197 -8.544 116 3HG1 VAL 15 3HG1 VAL 15 -8.931 2.846 -8.447 117 1HG2 VAL 15 1HG2 VAL 15 -13.044 2.480 -7.316 118 2HG2 VAL 15 2HG2 VAL 15 -12.331 4.035 -7.801 119 3HG2 VAL 15 3HG2 VAL 15 -12.603 2.766 -9.019 120 H LYS 16 H LYS 16 -8.849 0.685 -6.382 121 HA LYS 16 HA LYS 16 -6.829 0.320 -8.300 122 1HB LYS 16 2HB LYS 16 -6.992 -0.774 -5.468 123 2HB LYS 16 3HB LYS 16 -5.550 -0.862 -6.492 124 1HG LYS 16 2HG LYS 16 -5.627 1.641 -6.749 125 2HG LYS 16 3HG LYS 16 -6.906 1.692 -5.535 126 1HD LYS 16 2HD LYS 16 -4.074 0.596 -5.153 127 2HD LYS 16 3HD LYS 16 -4.673 2.161 -4.583 128 1HE LYS 16 2HE LYS 16 -6.338 0.974 -3.132 129 2HE LYS 16 3HE LYS 16 -5.646 -0.580 -3.640 130 1HZ LYS 16 1HZ LYS 16 -4.758 0.153 -1.575 131 2HZ LYS 16 2HZ LYS 16 -3.569 0.110 -2.715 132 3HZ LYS 16 3HZ LYS 16 -4.207 1.555 -2.242 133 H VAL 17 H VAL 17 -8.662 -2.270 -6.603 134 HA VAL 17 HA VAL 17 -7.472 -4.462 -7.928 135 HB VAL 17 HB VAL 17 -10.273 -4.082 -6.802 136 1HG1 VAL 17 1HG1 VAL 17 -10.390 -6.582 -6.777 137 2HG1 VAL 17 2HG1 VAL 17 -10.439 -5.906 -8.406 138 3HG1 VAL 17 3HG1 VAL 17 -8.935 -6.634 -7.795 139 1HG2 VAL 17 1HG2 VAL 17 -8.353 -3.972 -5.182 140 2HG2 VAL 17 2HG2 VAL 17 -9.383 -5.385 -4.922 141 3HG2 VAL 17 3HG2 VAL 17 -7.821 -5.564 -5.746 142 H LEU 18 H LEU 18 -10.396 -2.577 -8.929 143 HA LEU 18 HA LEU 18 -10.777 -4.007 -11.370 144 1HB LEU 18 2HB LEU 18 -11.529 -1.181 -10.518 145 2HB LEU 18 3HB LEU 18 -11.826 -1.789 -12.135 146 HG LEU 18 HG LEU 18 -13.108 -2.741 -9.572 147 1HD1 LEU 18 1HD1 LEU 18 -14.171 -1.711 -12.254 148 2HD1 LEU 18 2HD1 LEU 18 -15.142 -2.078 -10.812 149 3HD1 LEU 18 3HD1 LEU 18 -13.991 -0.729 -10.782 150 1HD2 LEU 18 1HD2 LEU 18 -12.713 -4.822 -10.757 151 2HD2 LEU 18 2HD2 LEU 18 -14.382 -4.351 -11.062 152 3HD2 LEU 18 3HD2 LEU 18 -13.157 -4.080 -12.318 153 H LEU 19 H LEU 19 -8.768 -1.106 -10.716 154 HA LEU 19 HA LEU 19 -8.043 -0.595 -13.422 155 1HB LEU 19 2HB LEU 19 -6.312 -0.203 -10.936 156 2HB LEU 19 3HB LEU 19 -6.054 0.488 -12.533 157 HG LEU 19 HG LEU 19 -7.998 1.279 -10.392 158 1HD1 LEU 19 1HD1 LEU 19 -6.094 2.801 -12.195 159 2HD1 LEU 19 2HD1 LEU 19 -7.034 3.477 -10.844 160 3HD1 LEU 19 3HD1 LEU 19 -5.757 2.284 -10.527 161 1HD2 LEU 19 1HD2 LEU 19 -8.212 2.234 -13.249 162 2HD2 LEU 19 2HD2 LEU 19 -9.372 1.103 -12.495 163 3HD2 LEU 19 3HD2 LEU 19 -9.194 2.756 -11.881 164 H GLU 20 H GLU 20 -6.448 -2.554 -10.892 165 HA GLU 20 HA GLU 20 -4.263 -3.467 -12.437 166 1HB GLU 20 2HB GLU 20 -5.728 -4.700 -10.067 167 2HB GLU 20 3HB GLU 20 -4.223 -5.352 -10.734 168 1HG GLU 20 2HG GLU 20 -3.010 -3.325 -10.223 169 2HG GLU 20 3HG GLU 20 -4.480 -2.474 -9.748 170 H LYS 21 H LYS 21 -7.397 -5.139 -11.770 171 HA LYS 21 HA LYS 21 -6.837 -7.387 -13.447 172 1HB LYS 21 2HB LYS 21 -9.477 -6.133 -12.579 173 2HB LYS 21 3HB LYS 21 -9.328 -7.673 -13.447 174 1HG LYS 21 2HG LYS 21 -8.005 -8.638 -11.613 175 2HG LYS 21 3HG LYS 21 -8.002 -7.097 -10.761 176 1HD LYS 21 2HD LYS 21 -9.661 -8.569 -9.766 177 2HD LYS 21 3HD LYS 21 -10.429 -7.151 -10.484 178 1HE LYS 21 2HE LYS 21 -11.697 -9.246 -10.894 179 2HE LYS 21 3HE LYS 21 -11.213 -8.457 -12.396 180 1HZ LYS 21 1HZ LYS 21 -10.838 -10.815 -12.436 181 2HZ LYS 21 2HZ LYS 21 -9.407 -10.011 -12.560 182 3HZ LYS 21 3HZ LYS 21 -9.830 -10.726 -11.136 183 H SER 22 H SER 22 -8.602 -4.352 -14.108 184 HA SER 22 HA SER 22 -9.018 -5.098 -16.950 185 1HB SER 22 2HB SER 22 -9.914 -2.533 -15.617 186 2HB SER 22 3HB SER 22 -10.641 -3.442 -16.961 187 HG SER 22 HG SER 22 -10.566 -4.089 -14.202 188 H THR 23 H THR 23 -6.375 -4.944 -16.504 189 HA THR 23 HA THR 23 -5.188 -2.413 -16.855 190 HB THR 23 HB THR 23 -3.552 -4.415 -18.057 191 HG1 THR 23 HG1 THR 23 -4.646 -5.449 -15.668 192 1HG2 THR 23 1HG2 THR 23 -3.671 -3.394 -15.185 193 2HG2 THR 23 2HG2 THR 23 -2.316 -4.289 -15.909 194 3HG2 THR 23 3HG2 THR 23 -2.747 -2.683 -16.527 195 H ARG 24 H ARG 24 -7.000 -4.343 -19.044 196 HA ARG 24 HA ARG 24 -5.862 -3.390 -21.500 197 1HB ARG 24 2HB ARG 24 -8.506 -4.735 -20.717 198 2HB ARG 24 3HB ARG 24 -8.055 -4.353 -22.379 199 1HG ARG 24 2HG ARG 24 -7.569 -6.629 -22.040 200 2HG ARG 24 3HG ARG 24 -6.071 -5.742 -22.219 201 1HD ARG 24 2HD ARG 24 -5.931 -7.570 -20.540 202 2HD ARG 24 3HD ARG 24 -5.436 -5.996 -19.960 203 HE ARG 24 HE ARG 24 -6.907 -6.277 -18.277 204 1HH1 ARG 24 1HH2 ARG 24 -8.215 -8.123 -20.997 205 2HH1 ARG 24 2HH2 ARG 24 -9.493 -8.836 -20.055 206 1HH2 ARG 24 1HH1 ARG 24 -8.430 -7.291 -17.047 207 2HH2 ARG 24 2HH1 ARG 24 -9.652 -8.320 -17.761 208 H LYS 25 H LYS 25 -5.840 -1.128 -20.585 209 HA LYS 25 HA LYS 25 -6.318 0.998 -20.742 210 1HB LYS 25 2HB LYS 25 -7.562 1.939 -22.525 211 2HB LYS 25 3HB LYS 25 -6.489 0.653 -23.077 212 1HG LYS 25 2HG LYS 25 -8.332 -0.840 -23.478 213 2HG LYS 25 3HG LYS 25 -9.476 0.231 -22.635 214 1HD LYS 25 2HD LYS 25 -9.109 1.968 -24.366 215 2HD LYS 25 3HD LYS 25 -7.963 0.897 -25.201 216 1HE LYS 25 2HE LYS 25 -9.776 -0.780 -25.528 217 2HE LYS 25 3HE LYS 25 -10.917 0.288 -24.687 218 1HZ LYS 25 1HZ LYS 25 -11.088 0.488 -27.047 219 2HZ LYS 25 2HZ LYS 25 -10.569 1.910 -26.399 220 3HZ LYS 25 3HZ LYS 25 -9.505 0.923 -27.181 221 H ARG 26 H ARG 26 -9.296 -0.795 -20.296 222 HA ARG 26 HA ARG 26 -11.208 0.802 -19.359 223 1HB ARG 26 2HB ARG 26 -10.213 -1.882 -18.795 224 2HB ARG 26 3HB ARG 26 -10.837 -1.176 -17.325 225 1HG ARG 26 2HG ARG 26 -12.387 -1.307 -19.952 226 2HG ARG 26 3HG ARG 26 -12.440 -2.544 -18.706 227 1HD ARG 26 2HD ARG 26 -13.450 0.309 -18.506 228 2HD ARG 26 3HD ARG 26 -14.394 -1.177 -18.398 229 HE ARG 26 HE ARG 26 -13.159 0.220 -16.267 230 1HH1 ARG 26 1HH1 ARG 26 -13.662 -3.181 -17.194 231 2HH1 ARG 26 2HH1 ARG 26 -12.816 -3.760 -15.767 232 1HH2 ARG 26 1HH2 ARG 26 -12.422 -0.548 -14.385 233 2HH2 ARG 26 2HH2 ARG 26 -12.357 -2.282 -14.045 234 H LEU 27 H LEU 27 -8.218 0.160 -17.502 235 HA LEU 27 HA LEU 27 -8.683 1.276 -15.119 236 1HB LEU 27 2HB LEU 27 -6.235 2.438 -16.458 237 2HB LEU 27 3HB LEU 27 -6.476 1.843 -14.835 238 HG LEU 27 HG LEU 27 -6.604 -0.502 -15.867 239 1HD1 LEU 27 1HD1 LEU 27 -5.890 1.208 -18.255 240 2HD1 LEU 27 2HD1 LEU 27 -4.841 -0.178 -18.018 241 3HD1 LEU 27 3HD1 LEU 27 -6.572 -0.428 -18.225 242 1HD2 LEU 27 1HD2 LEU 27 -4.706 0.311 -14.536 243 2HD2 LEU 27 2HD2 LEU 27 -4.123 -0.659 -15.895 244 3HD2 LEU 27 3HD2 LEU 27 -4.020 1.110 -15.970 245 H ARG 28 H ARG 28 -8.102 3.158 -18.103 246 HA ARG 28 HA ARG 28 -7.953 5.751 -16.941 247 1HB ARG 28 2HB ARG 28 -8.915 4.876 -19.705 248 2HB ARG 28 3HB ARG 28 -8.494 6.533 -19.243 249 1HG ARG 28 2HG ARG 28 -6.171 5.847 -18.786 250 2HG ARG 28 3HG ARG 28 -6.565 4.161 -19.178 251 1HD ARG 28 2HD ARG 28 -7.225 4.840 -21.468 252 2HD ARG 28 3HD ARG 28 -6.758 6.519 -21.090 253 HE ARG 28 HE ARG 28 -4.579 4.791 -20.500 254 1HH1 ARG 28 1HH1 ARG 28 -6.359 6.028 -23.282 255 2HH1 ARG 28 2HH1 ARG 28 -5.017 5.906 -24.388 256 1HH2 ARG 28 1HH2 ARG 28 -2.812 4.602 -21.928 257 2HH2 ARG 28 2HH2 ARG 28 -2.956 5.082 -23.597 258 H ASP 29 H ASP 29 -10.669 4.056 -18.499 259 HA ASP 29 HA ASP 29 -12.705 5.961 -18.128 260 1HB ASP 29 2HB ASP 29 -12.953 2.908 -18.137 261 2HB ASP 29 3HB ASP 29 -14.231 4.061 -18.493 262 H THR 30 H THR 30 -11.854 3.112 -16.191 263 HA THR 30 HA THR 30 -13.730 3.317 -14.127 264 HB THR 30 HB THR 30 -10.853 2.329 -13.877 265 HG1 THR 30 HG1 THR 30 -11.697 1.355 -15.634 266 1HG2 THR 30 1HG2 THR 30 -12.104 2.364 -11.728 267 2HG2 THR 30 2HG2 THR 30 -13.417 1.433 -12.489 268 3HG2 THR 30 3HG2 THR 30 -11.803 0.714 -12.296 269 H LEU 31 H LEU 31 -10.352 4.507 -14.168 270 HA LEU 31 HA LEU 31 -10.304 5.719 -11.639 271 1HB LEU 31 2HB LEU 31 -8.370 5.147 -13.000 272 2HB LEU 31 3HB LEU 31 -8.753 6.391 -14.188 273 HG LEU 31 HG LEU 31 -8.246 7.052 -11.257 274 1HD1 LEU 31 1HD1 LEU 31 -5.883 7.445 -11.857 275 2HD1 LEU 31 2HD1 LEU 31 -6.331 5.746 -12.067 276 3HD1 LEU 31 3HD1 LEU 31 -6.188 6.806 -13.488 277 1HD2 LEU 31 1HD2 LEU 31 -9.119 8.978 -12.506 278 2HD2 LEU 31 2HD2 LEU 31 -7.388 9.214 -12.318 279 3HD2 LEU 31 3HD2 LEU 31 -8.026 8.644 -13.867 280 H THR 32 H THR 32 -10.836 7.259 -14.868 281 HA THR 32 HA THR 32 -11.252 9.845 -13.882 282 HB THR 32 HB THR 32 -12.564 8.627 -16.356 283 HG1 THR 32 HG1 THR 32 -10.392 8.233 -16.470 284 1HG2 THR 32 1HG2 THR 32 -11.687 11.474 -15.680 285 2HG2 THR 32 2HG2 THR 32 -12.326 10.930 -17.243 286 3HG2 THR 32 3HG2 THR 32 -13.370 10.916 -15.811 287 H SER 33 H SER 33 -13.745 7.352 -14.651 288 HA SER 33 HA SER 33 -15.954 8.979 -13.872 289 1HB SER 33 2HB SER 33 -17.214 6.838 -13.815 290 2HB SER 33 3HB SER 33 -16.277 7.057 -15.303 291 HG SER 33 HG SER 33 -14.725 5.638 -14.489 292 H GLU 34 H GLU 34 -14.427 6.247 -12.079 293 HA GLU 34 HA GLU 34 -16.114 6.713 -9.860 294 1HB GLU 34 2HB GLU 34 -15.063 4.526 -10.546 295 2HB GLU 34 3HB GLU 34 -13.554 5.092 -9.818 296 1HG GLU 34 2HG GLU 34 -14.870 3.649 -8.273 297 2HG GLU 34 3HG GLU 34 -14.688 5.280 -7.614 298 H LYS 35 H LYS 35 -12.716 7.801 -10.442 299 HA LYS 35 HA LYS 35 -12.218 8.750 -7.827 300 1HB LYS 35 2HB LYS 35 -10.518 8.643 -9.583 301 2HB LYS 35 3HB LYS 35 -11.305 9.981 -10.454 302 1HG LYS 35 2HG LYS 35 -10.941 11.474 -8.527 303 2HG LYS 35 3HG LYS 35 -10.188 10.171 -7.613 304 1HD LYS 35 2HD LYS 35 -9.188 11.380 -10.241 305 2HD LYS 35 3HD LYS 35 -8.574 11.785 -8.637 306 1HE LYS 35 2HE LYS 35 -8.357 9.067 -10.007 307 2HE LYS 35 3HE LYS 35 -7.057 10.237 -9.765 308 1HZ LYS 35 1HZ LYS 35 -7.341 9.963 -7.399 309 2HZ LYS 35 2HZ LYS 35 -8.520 8.836 -7.642 310 3HZ LYS 35 3HZ LYS 35 -6.978 8.531 -8.131 311 H SER 36 H SER 36 -13.964 10.287 -10.567 312 HA SER 36 HA SER 36 -14.474 12.768 -9.323 313 1HB SER 36 2HB SER 36 -16.352 11.273 -11.202 314 2HB SER 36 3HB SER 36 -16.327 13.005 -10.848 315 HG SER 36 HG SER 36 -14.338 11.479 -12.198 316 H LYS 37 H LYS 37 -16.335 9.686 -9.128 317 HA LYS 37 HA LYS 37 -18.400 10.697 -7.429 318 1HB LYS 37 2HB LYS 37 -17.408 7.838 -7.470 319 2HB LYS 37 3HB LYS 37 -19.003 8.428 -7.009 320 1HG LYS 37 2HG LYS 37 -17.780 8.368 -9.783 321 2HG LYS 37 3HG LYS 37 -19.079 7.357 -9.180 322 1HD LYS 37 2HD LYS 37 -20.593 9.263 -9.019 323 2HD LYS 37 3HD LYS 37 -19.314 10.399 -9.482 324 1HE LYS 37 2HE LYS 37 -20.256 8.114 -11.265 325 2HE LYS 37 3HE LYS 37 -20.869 9.773 -11.362 326 1HZ LYS 37 1HZ LYS 37 -19.111 9.357 -12.926 327 2HZ LYS 37 2HZ LYS 37 -18.696 10.537 -11.855 328 3HZ LYS 37 3HZ LYS 37 -18.042 9.035 -11.711 329 H ILE 38 H ILE 38 -15.343 8.965 -6.659 330 HA ILE 38 HA ILE 38 -15.599 8.887 -3.853 331 HB ILE 38 HB ILE 38 -13.149 9.171 -5.628 332 1HG1 ILE 38 2HG1 ILE 38 -14.301 6.754 -4.155 333 2HG1 ILE 38 3HG1 ILE 38 -14.563 7.089 -5.863 334 1HG2 ILE 38 1HG2 ILE 38 -12.608 9.946 -3.291 335 2HG2 ILE 38 2HG2 ILE 38 -13.148 8.359 -2.699 336 3HG2 ILE 38 3HG2 ILE 38 -11.748 8.498 -3.776 337 1HD1 ILE 38 1HD1 ILE 38 -12.046 7.027 -6.196 338 2HD1 ILE 38 2HD1 ILE 38 -11.917 6.414 -4.531 339 3HD1 ILE 38 3HD1 ILE 38 -12.796 5.491 -5.747 340 H GLU 39 H GLU 39 -14.024 11.431 -5.856 341 HA GLU 39 HA GLU 39 -13.476 13.215 -3.716 342 1HB GLU 39 2HB GLU 39 -13.917 13.675 -6.690 343 2HB GLU 39 3HB GLU 39 -13.380 14.940 -5.570 344 1HG GLU 39 2HG GLU 39 -11.401 13.640 -4.947 345 2HG GLU 39 3HG GLU 39 -11.908 12.291 -5.968 346 H THR 40 H THR 40 -16.310 13.030 -5.900 347 HA THR 40 HA THR 40 -17.734 15.254 -4.903 348 HB THR 40 HB THR 40 -18.769 12.626 -6.049 349 HG1 THR 40 HG1 THR 40 -17.423 13.802 -7.430 350 1HG2 THR 40 1HG2 THR 40 -20.620 13.787 -4.925 351 2HG2 THR 40 2HG2 THR 40 -20.176 15.306 -5.745 352 3HG2 THR 40 3HG2 THR 40 -20.760 13.915 -6.687 353 H GLU 41 H GLU 41 -17.844 11.809 -3.801 354 HA GLU 41 HA GLU 41 -19.718 12.353 -1.722 355 1HB GLU 41 2HB GLU 41 -17.858 10.052 -2.341 356 2HB GLU 41 3HB GLU 41 -18.705 10.109 -0.788 357 1HG GLU 41 2HG GLU 41 -20.160 10.375 -3.452 358 2HG GLU 41 3HG GLU 41 -19.931 8.844 -2.598 359 H LEU 42 H LEU 42 -16.133 12.195 -1.669 360 HA LEU 42 HA LEU 42 -15.810 12.712 1.084 361 1HB LEU 42 2HB LEU 42 -13.960 12.111 -0.342 362 2HB LEU 42 3HB LEU 42 -14.175 13.538 -1.339 363 HG LEU 42 HG LEU 42 -13.500 14.995 0.534 364 1HD1 LEU 42 1HD1 LEU 42 -14.184 13.586 2.465 365 2HD1 LEU 42 2HD1 LEU 42 -12.943 12.391 2.024 366 3HD1 LEU 42 3HD1 LEU 42 -12.472 14.016 2.555 367 1HD2 LEU 42 1HD2 LEU 42 -11.843 14.181 -1.090 368 2HD2 LEU 42 2HD2 LEU 42 -11.124 14.373 0.519 369 3HD2 LEU 42 3HD2 LEU 42 -11.538 12.752 -0.079 370 H LYS 43 H LYS 43 -16.077 15.101 -1.604 371 HA LYS 43 HA LYS 43 -16.053 17.413 0.055 372 1HB LYS 43 2HB LYS 43 -16.726 16.783 -2.799 373 2HB LYS 43 3HB LYS 43 -17.490 18.216 -2.135 374 1HG LYS 43 2HG LYS 43 -15.404 18.854 -3.150 375 2HG LYS 43 3HG LYS 43 -15.363 19.130 -1.406 376 1HD LYS 43 2HD LYS 43 -14.168 16.779 -1.288 377 2HD LYS 43 3HD LYS 43 -13.941 16.969 -3.025 378 1HE LYS 43 2HE LYS 43 -13.066 18.909 -0.822 379 2HE LYS 43 3HE LYS 43 -12.001 17.766 -1.657 380 1HZ LYS 43 1HZ LYS 43 -13.436 19.997 -2.922 381 2HZ LYS 43 2HZ LYS 43 -11.825 19.948 -2.584 382 3HZ LYS 43 3HZ LYS 43 -12.462 18.921 -3.704 383 H ASN 44 H ASN 44 -18.810 15.547 -1.206 384 HA ASN 44 HA ASN 44 -20.960 17.035 -0.109 385 1HB ASN 44 2HB ASN 44 -21.358 15.227 -1.659 386 2HB ASN 44 3HB ASN 44 -20.523 14.075 -0.614 387 1HD2 ASN 44 2HD2 ASN 44 -22.497 12.735 -0.944 388 2HD2 ASN 44 1HD2 ASN 44 -23.852 13.072 0.118 389 H LYS 45 H LYS 45 -19.321 14.166 1.378 390 HA LYS 45 HA LYS 45 -20.702 14.393 3.830 391 1HB LYS 45 2HB LYS 45 -18.214 12.971 2.907 392 2HB LYS 45 3HB LYS 45 -18.537 13.096 4.635 393 1HG LYS 45 2HG LYS 45 -19.423 11.013 3.701 394 2HG LYS 45 3HG LYS 45 -20.654 12.018 4.474 395 1HD LYS 45 2HD LYS 45 -21.436 12.783 2.239 396 2HD LYS 45 3HD LYS 45 -20.221 11.764 1.456 397 1HE LYS 45 2HE LYS 45 -22.406 10.723 3.320 398 2HE LYS 45 3HE LYS 45 -22.550 10.793 1.556 399 1HZ LYS 45 1HZ LYS 45 -20.732 9.339 1.344 400 2HZ LYS 45 2HZ LYS 45 -20.469 9.292 2.978 401 3HZ LYS 45 3HZ LYS 45 -21.847 8.652 2.337 402 H MET 46 H MET 46 -17.476 15.826 2.942 403 HA MET 46 HA MET 46 -17.048 16.906 5.564 404 1HB MET 46 2HB MET 46 -16.091 17.857 2.838 405 2HB MET 46 3HB MET 46 -15.567 18.555 4.382 406 1HG MET 46 2HG MET 46 -14.812 16.253 5.100 407 2HG MET 46 3HG MET 46 -15.114 15.703 3.456 408 1HE MET 46 1HE MET 46 -14.030 18.679 2.047 409 2HE MET 46 2HE MET 46 -12.474 18.003 1.521 410 3HE MET 46 3HE MET 46 -13.966 17.045 1.345 411 H GLN 47 H GLN 47 -18.482 18.466 2.640 412 HA GLN 47 HA GLN 47 -18.957 20.943 4.043 413 1HB GLN 47 2HB GLN 47 -20.058 19.854 1.441 414 2HB GLN 47 3HB GLN 47 -20.247 21.524 1.985 415 1HG GLN 47 2HG GLN 47 -17.892 21.968 1.900 416 2HG GLN 47 3HG GLN 47 -17.488 20.269 1.630 417 1HE2 GLN 47 2HE2 GLN 47 -18.846 19.299 -0.284 418 2HE2 GLN 47 1HE2 GLN 47 -18.782 20.248 -1.780 419 H GLN 48 H GLN 48 -20.847 18.036 3.648 420 HA GLN 48 HA GLN 48 -23.317 18.563 3.459 421 1HB GLN 48 2HB GLN 48 -22.031 16.363 4.317 422 2HB GLN 48 3HB GLN 48 -22.822 16.760 5.829 423 1HG GLN 48 2HG GLN 48 -25.012 16.686 4.720 424 2HG GLN 48 3HG GLN 48 -24.243 16.511 3.132 425 1HE2 GLN 48 1HE2 GLN 48 -23.473 14.509 2.448 426 2HE2 GLN 48 2HE2 GLN 48 -23.729 13.035 3.390 427 H LYS 49 H LYS 49 -21.866 18.922 6.718 428 HA LYS 49 HA LYS 49 -24.313 20.235 7.737 429 1HB LYS 49 2HB LYS 49 -23.144 18.596 9.120 430 2HB LYS 49 3HB LYS 49 -21.680 19.580 9.121 431 1HG LYS 49 2HG LYS 49 -22.932 21.403 10.309 432 2HG LYS 49 3HG LYS 49 -24.419 20.454 10.161 433 1HD LYS 49 2HD LYS 49 -23.595 20.199 12.395 434 2HD LYS 49 3HD LYS 49 -23.399 18.653 11.556 435 1HE LYS 49 2HE LYS 49 -20.984 19.114 11.235 436 2HE LYS 49 3HE LYS 49 -21.179 20.724 11.959 437 1HZ LYS 49 1HZ LYS 49 -20.325 19.142 13.505 438 2HZ LYS 49 2HZ LYS 49 -21.632 18.159 13.312 439 3HZ LYS 49 3HZ LYS 49 -21.814 19.649 13.994 440 H SER 50 H SER 50 -20.946 21.212 8.270 441 HA SER 50 HA SER 50 -19.960 23.251 8.360 442 1HB SER 50 2HB SER 50 -19.634 22.248 6.087 443 2HB SER 50 3HB SER 50 -20.957 23.274 5.490 444 HG SER 50 HG SER 50 -19.724 25.074 6.271 445 H GLN 51 H GLN 51 -22.799 23.597 9.213 446 HA GLN 51 HA GLN 51 -24.415 25.159 9.505 447 1HB GLN 51 2HB GLN 51 -22.103 27.127 9.226 448 2HB GLN 51 3HB GLN 51 -23.690 27.466 9.931 449 1HG GLN 51 2HG GLN 51 -23.280 25.771 11.700 450 2HG GLN 51 3HG GLN 51 -21.692 25.418 10.999 451 1HE2 GLN 51 2HE2 GLN 51 -23.564 28.360 12.027 452 2HE2 GLN 51 1HE2 GLN 51 -22.191 29.083 12.848 453 H LYS 52 H LYS 52 -24.164 24.168 6.868 454 HA LYS 52 HA LYS 52 -24.101 26.209 4.928 455 1HB LYS 52 2HB LYS 52 -23.663 23.845 4.438 456 2HB LYS 52 3HB LYS 52 -25.308 23.414 4.914 457 1HG LYS 52 2HG LYS 52 -25.149 23.366 2.533 458 2HG LYS 52 3HG LYS 52 -26.215 24.686 2.999 459 1HD LYS 52 2HD LYS 52 -24.106 26.227 2.727 460 2HD LYS 52 3HD LYS 52 -23.352 24.834 1.947 461 1HE LYS 52 2HE LYS 52 -25.946 26.233 1.121 462 2HE LYS 52 3HE LYS 52 -24.379 26.404 0.315 463 1HZ LYS 52 1HZ LYS 52 -25.805 24.887 -0.811 464 2HZ LYS 52 2HZ LYS 52 -24.477 24.084 -0.242 465 3HZ LYS 52 3HZ LYS 52 -25.934 23.922 0.518 466 H LYS 53 H LYS 53 -25.687 27.492 4.028 467 HA LYS 53 HA LYS 53 -28.106 27.960 5.483 468 1HB LYS 53 2HB LYS 53 -27.209 28.836 2.706 469 2HB LYS 53 3HB LYS 53 -28.666 29.421 3.530 470 1HG LYS 53 2HG LYS 53 -27.329 30.366 5.353 471 2HG LYS 53 3HG LYS 53 -25.849 29.672 4.689 472 1HD LYS 53 2HD LYS 53 -25.924 32.016 4.147 473 2HD LYS 53 3HD LYS 53 -26.063 31.069 2.657 474 1HE LYS 53 2HE LYS 53 -28.500 31.480 2.591 475 2HE LYS 53 3HE LYS 53 -28.423 32.311 4.159 476 1HZ LYS 53 1HZ LYS 53 -27.101 33.174 1.684 477 2HZ LYS 53 2HZ LYS 53 -28.467 33.828 2.333 478 3HZ LYS 53 3HZ LYS 53 -27.032 33.957 3.133 479 HA PRO 54 HA PRO 54 -30.499 24.720 3.539 480 1HB PRO 54 2HB PRO 54 -33.028 25.372 4.301 481 2HB PRO 54 3HB PRO 54 -31.773 24.894 5.474 482 1HG PRO 54 2HG PRO 54 -32.554 27.724 4.701 483 2HG PRO 54 3HG PRO 54 -32.455 27.034 6.350 484 1HD PRO 54 2HD PRO 54 -30.400 28.437 5.270 485 2HD PRO 54 3HD PRO 54 -30.090 26.990 6.279 486 H GLU 55 H GLU 55 -29.602 25.923 1.505 487 HA GLU 55 HA GLU 55 -31.210 27.659 -0.046 488 1HB GLU 55 2HB GLU 55 -29.271 25.476 -0.931 489 2HB GLU 55 3HB GLU 55 -29.914 26.747 -1.979 490 1HG GLU 55 2HG GLU 55 -28.907 28.487 -0.525 491 2HG GLU 55 3HG GLU 55 -28.210 27.236 0.512 Start of MODEL 2 1 1H MET 1 H MET 1 -17.536 10.672 11.804 2 HA MET 1 HA MET 1 -17.221 10.282 9.369 3 1HB MET 1 2HB MET 1 -16.133 12.215 10.558 4 2HB MET 1 3HB MET 1 -14.681 11.225 10.776 5 1HG MET 1 2HG MET 1 -14.424 12.731 8.882 6 2HG MET 1 3HG MET 1 -14.446 11.067 8.305 7 1HE MET 1 1HE MET 1 -14.672 13.503 6.358 8 2HE MET 1 2HE MET 1 -14.791 11.808 5.815 9 3HE MET 1 3HE MET 1 -16.015 12.998 5.306 10 H ALA 2 H ALA 2 -15.280 8.423 11.567 11 HA ALA 2 HA ALA 2 -13.349 7.189 10.025 12 1HB ALA 2 1HB ALA 2 -15.141 5.874 12.114 13 2HB ALA 2 2HB ALA 2 -13.585 5.245 11.531 14 3HB ALA 2 3HB ALA 2 -13.641 6.776 12.428 15 H SER 3 H SER 3 -16.767 6.154 10.298 16 HA SER 3 HA SER 3 -16.716 3.983 8.525 17 1HB SER 3 2HB SER 3 -18.634 4.599 9.986 18 2HB SER 3 3HB SER 3 -18.975 5.992 8.938 19 HG SER 3 HG SER 3 -19.013 3.250 8.177 20 H VAL 4 H VAL 4 -16.983 7.487 7.787 21 HA VAL 4 HA VAL 4 -17.651 7.110 5.000 22 HB VAL 4 HB VAL 4 -16.419 9.555 6.335 23 1HG1 VAL 4 1HG1 VAL 4 -17.522 10.775 4.520 24 2HG1 VAL 4 2HG1 VAL 4 -16.381 9.591 3.872 25 3HG1 VAL 4 3HG1 VAL 4 -18.123 9.248 3.833 26 1HG2 VAL 4 1HG2 VAL 4 -18.456 8.969 7.587 27 2HG2 VAL 4 2HG2 VAL 4 -18.765 10.365 6.560 28 3HG2 VAL 4 3HG2 VAL 4 -19.351 8.758 6.070 29 H LEU 5 H LEU 5 -14.671 7.839 6.864 30 HA LEU 5 HA LEU 5 -12.876 7.897 4.645 31 1HB LEU 5 2HB LEU 5 -12.296 6.922 7.470 32 2HB LEU 5 3HB LEU 5 -11.105 7.400 6.260 33 HG LEU 5 HG LEU 5 -13.169 9.233 7.552 34 1HD1 LEU 5 1HD1 LEU 5 -11.225 10.252 8.646 35 2HD1 LEU 5 2HD1 LEU 5 -11.348 8.534 9.060 36 3HD1 LEU 5 3HD1 LEU 5 -10.148 9.075 7.866 37 1HD2 LEU 5 1HD2 LEU 5 -11.874 11.068 6.444 38 2HD2 LEU 5 2HD2 LEU 5 -10.981 9.843 5.518 39 3HD2 LEU 5 3HD2 LEU 5 -12.734 10.048 5.290 40 H GLU 6 H GLU 6 -13.897 5.137 6.692 41 HA GLU 6 HA GLU 6 -12.405 3.120 5.386 42 1HB GLU 6 2HB GLU 6 -15.084 3.038 6.823 43 2HB GLU 6 3HB GLU 6 -14.236 1.595 6.258 44 1HG GLU 6 2HG GLU 6 -12.358 1.993 7.696 45 2HG GLU 6 3HG GLU 6 -12.908 3.612 8.122 46 H GLU 7 H GLU 7 -15.777 4.256 4.686 47 HA GLU 7 HA GLU 7 -16.196 2.537 2.470 48 1HB GLU 7 2HB GLU 7 -17.300 5.298 3.132 49 2HB GLU 7 3HB GLU 7 -17.837 4.363 1.732 50 1HG GLU 7 2HG GLU 7 -17.971 3.303 4.592 51 2HG GLU 7 3HG GLU 7 -19.303 4.113 3.762 52 H LEU 8 H LEU 8 -14.899 5.902 2.469 53 HA LEU 8 HA LEU 8 -14.463 6.016 -0.345 54 1HB LEU 8 2HB LEU 8 -12.966 7.372 1.923 55 2HB LEU 8 3HB LEU 8 -12.820 7.832 0.222 56 HG LEU 8 HG LEU 8 -15.489 7.905 1.694 57 1HD1 LEU 8 1HD1 LEU 8 -13.909 9.387 2.841 58 2HD1 LEU 8 2HD1 LEU 8 -13.407 10.083 1.286 59 3HD1 LEU 8 3HD1 LEU 8 -15.058 10.349 1.892 60 1HD2 LEU 8 1HD2 LEU 8 -14.548 9.291 -0.846 61 2HD2 LEU 8 2HD2 LEU 8 -15.644 7.890 -0.793 62 3HD2 LEU 8 3HD2 LEU 8 -16.137 9.431 -0.081 63 H GLN 9 H GLN 9 -12.323 4.857 2.296 64 HA GLN 9 HA GLN 9 -10.102 4.286 0.641 65 1HB GLN 9 2HB GLN 9 -10.096 4.415 3.152 66 2HB GLN 9 3HB GLN 9 -10.939 2.867 3.209 67 1HG GLN 9 2HG GLN 9 -8.529 2.571 3.577 68 2HG GLN 9 3HG GLN 9 -9.043 1.745 2.104 69 1HE2 GLN 9 2HE2 GLN 9 -8.145 5.198 2.830 70 2HE2 GLN 9 1HE2 GLN 9 -6.920 5.267 1.574 71 H LYS 10 H LYS 10 -12.888 2.201 1.608 72 HA LYS 10 HA LYS 10 -11.978 -0.105 0.227 73 1HB LYS 10 2HB LYS 10 -13.740 -0.313 1.841 74 2HB LYS 10 3HB LYS 10 -14.774 0.822 0.965 75 1HG LYS 10 2HG LYS 10 -15.501 -1.507 0.656 76 2HG LYS 10 3HG LYS 10 -15.077 -0.735 -0.869 77 1HD LYS 10 2HD LYS 10 -12.819 -1.903 -0.769 78 2HD LYS 10 3HD LYS 10 -13.372 -2.740 0.694 79 1HE LYS 10 2HE LYS 10 -15.191 -3.790 -0.622 80 2HE LYS 10 3HE LYS 10 -14.746 -2.819 -2.041 81 1HZ LYS 10 1HZ LYS 10 -12.612 -3.893 -2.040 82 2HZ LYS 10 2HZ LYS 10 -13.063 -4.856 -0.780 83 3HZ LYS 10 3HZ LYS 10 -13.846 -4.969 -2.229 84 H ASP 11 H ASP 11 -14.042 2.639 -0.828 85 HA ASP 11 HA ASP 11 -14.561 1.743 -3.441 86 1HB ASP 11 2HB ASP 11 -15.574 3.725 -2.249 87 2HB ASP 11 3HB ASP 11 -14.100 4.639 -2.591 88 H LEU 12 H LEU 12 -11.855 3.781 -2.268 89 HA LEU 12 HA LEU 12 -10.334 4.031 -4.598 90 1HB LEU 12 2HB LEU 12 -10.038 5.110 -2.346 91 2HB LEU 12 3HB LEU 12 -9.204 3.656 -1.797 92 HG LEU 12 HG LEU 12 -8.316 5.358 -4.166 93 1HD1 LEU 12 1HD1 LEU 12 -7.367 5.366 -1.269 94 2HD1 LEU 12 2HD1 LEU 12 -6.651 6.298 -2.602 95 3HD1 LEU 12 3HD1 LEU 12 -8.299 6.652 -2.063 96 1HD2 LEU 12 1HD2 LEU 12 -6.943 3.134 -2.575 97 2HD2 LEU 12 2HD2 LEU 12 -7.292 3.152 -4.322 98 3HD2 LEU 12 3HD2 LEU 12 -6.086 4.244 -3.662 99 H GLU 13 H GLU 13 -10.067 1.498 -2.065 100 HA GLU 13 HA GLU 13 -8.132 -0.116 -3.277 101 1HB GLU 13 2HB GLU 13 -8.887 -0.280 -0.973 102 2HB GLU 13 3HB GLU 13 -10.449 -0.919 -1.464 103 1HG GLU 13 2HG GLU 13 -7.850 -2.317 -2.230 104 2HG GLU 13 3HG GLU 13 -8.558 -2.516 -0.625 105 H GLU 14 H GLU 14 -11.694 -0.191 -3.706 106 HA GLU 14 HA GLU 14 -11.740 -2.452 -5.378 107 1HB GLU 14 2HB GLU 14 -13.700 -1.351 -4.203 108 2HB GLU 14 3HB GLU 14 -13.699 -0.115 -5.468 109 1HG GLU 14 2HG GLU 14 -15.359 -1.814 -5.981 110 2HG GLU 14 3HG GLU 14 -14.067 -1.905 -7.181 111 H VAL 15 H VAL 15 -11.663 1.068 -6.316 112 HA VAL 15 HA VAL 15 -11.451 0.429 -9.111 113 HB VAL 15 HB VAL 15 -12.090 2.588 -8.727 114 1HG1 VAL 15 1HG1 VAL 15 -11.130 3.102 -6.521 115 2HG1 VAL 15 2HG1 VAL 15 -9.493 3.156 -7.217 116 3HG1 VAL 15 3HG1 VAL 15 -10.705 4.361 -7.676 117 1HG2 VAL 15 1HG2 VAL 15 -9.215 2.968 -9.626 118 2HG2 VAL 15 2HG2 VAL 15 -10.417 2.141 -10.621 119 3HG2 VAL 15 3HG2 VAL 15 -10.674 3.832 -10.146 120 H LYS 16 H LYS 16 -8.888 0.896 -6.634 121 HA LYS 16 HA LYS 16 -6.694 0.687 -8.386 122 1HB LYS 16 2HB LYS 16 -6.551 1.349 -6.047 123 2HB LYS 16 3HB LYS 16 -6.975 -0.290 -5.520 124 1HG LYS 16 2HG LYS 16 -4.898 -1.187 -6.341 125 2HG LYS 16 3HG LYS 16 -4.539 0.287 -7.251 126 1HD LYS 16 2HD LYS 16 -3.198 0.103 -5.180 127 2HD LYS 16 3HD LYS 16 -4.193 1.567 -5.223 128 1HE LYS 16 2HE LYS 16 -5.822 0.591 -3.686 129 2HE LYS 16 3HE LYS 16 -4.999 -0.984 -3.747 130 1HZ LYS 16 1HZ LYS 16 -3.886 1.519 -2.686 131 2HZ LYS 16 2HZ LYS 16 -4.452 0.254 -1.795 132 3HZ LYS 16 3HZ LYS 16 -3.106 0.066 -2.729 133 H VAL 17 H VAL 17 -8.392 -1.958 -6.635 134 HA VAL 17 HA VAL 17 -6.962 -4.132 -7.748 135 HB VAL 17 HB VAL 17 -9.759 -3.820 -6.600 136 1HG1 VAL 17 1HG1 VAL 17 -8.445 -6.387 -7.550 137 2HG1 VAL 17 2HG1 VAL 17 -9.857 -6.311 -6.477 138 3HG1 VAL 17 3HG1 VAL 17 -9.982 -5.706 -8.130 139 1HG2 VAL 17 1HG2 VAL 17 -7.248 -5.251 -5.608 140 2HG2 VAL 17 2HG2 VAL 17 -7.765 -3.644 -5.072 141 3HG2 VAL 17 3HG2 VAL 17 -8.774 -5.057 -4.727 142 H LEU 18 H LEU 18 -10.112 -2.724 -8.866 143 HA LEU 18 HA LEU 18 -10.296 -4.483 -11.094 144 1HB LEU 18 2HB LEU 18 -11.473 -1.722 -10.606 145 2HB LEU 18 3HB LEU 18 -11.813 -2.666 -12.060 146 HG LEU 18 HG LEU 18 -12.484 -3.526 -9.213 147 1HD1 LEU 18 1HD1 LEU 18 -14.185 -2.725 -11.607 148 2HD1 LEU 18 2HD1 LEU 18 -14.794 -3.188 -9.999 149 3HD1 LEU 18 3HD1 LEU 18 -13.862 -1.688 -10.195 150 1HD2 LEU 18 1HD2 LEU 18 -13.809 -5.326 -10.459 151 2HD2 LEU 18 2HD2 LEU 18 -12.878 -4.908 -11.913 152 3HD2 LEU 18 3HD2 LEU 18 -12.067 -5.568 -10.472 153 H LEU 19 H LEU 19 -8.775 -1.277 -10.862 154 HA LEU 19 HA LEU 19 -8.150 -0.990 -13.623 155 1HB LEU 19 2HB LEU 19 -8.146 0.805 -11.993 156 2HB LEU 19 3HB LEU 19 -6.797 0.098 -11.105 157 HG LEU 19 HG LEU 19 -6.430 0.700 -14.031 158 1HD1 LEU 19 1HD1 LEU 19 -5.849 3.054 -13.504 159 2HD1 LEU 19 2HD1 LEU 19 -7.555 2.708 -13.179 160 3HD1 LEU 19 3HD1 LEU 19 -6.401 2.810 -11.832 161 1HD2 LEU 19 1HD2 LEU 19 -4.617 0.968 -11.582 162 2HD2 LEU 19 2HD2 LEU 19 -4.525 -0.315 -12.806 163 3HD2 LEU 19 3HD2 LEU 19 -4.143 1.349 -13.247 164 H GLU 20 H GLU 20 -6.257 -2.275 -10.866 165 HA GLU 20 HA GLU 20 -3.906 -2.948 -12.235 166 1HB GLU 20 2HB GLU 20 -4.223 -2.896 -9.765 167 2HB GLU 20 3HB GLU 20 -5.195 -4.373 -9.865 168 1HG GLU 20 2HG GLU 20 -3.195 -5.574 -10.804 169 2HG GLU 20 3HG GLU 20 -2.256 -4.081 -10.628 170 H LYS 21 H LYS 21 -6.821 -4.963 -11.633 171 HA LYS 21 HA LYS 21 -5.729 -7.242 -13.077 172 1HB LYS 21 2HB LYS 21 -8.492 -6.578 -11.988 173 2HB LYS 21 3HB LYS 21 -8.083 -8.111 -12.780 174 1HG LYS 21 2HG LYS 21 -6.376 -8.599 -11.123 175 2HG LYS 21 3HG LYS 21 -6.619 -7.024 -10.335 176 1HD LYS 21 2HD LYS 21 -8.833 -7.604 -9.613 177 2HD LYS 21 3HD LYS 21 -8.892 -9.026 -10.658 178 1HE LYS 21 2HE LYS 21 -8.510 -9.625 -8.266 179 2HE LYS 21 3HE LYS 21 -7.236 -10.202 -9.351 180 1HZ LYS 21 1HZ LYS 21 -5.884 -8.365 -8.671 181 2HZ LYS 21 2HZ LYS 21 -7.062 -7.801 -7.668 182 3HZ LYS 21 3HZ LYS 21 -6.346 -9.252 -7.364 183 H SER 22 H SER 22 -8.423 -4.986 -13.781 184 HA SER 22 HA SER 22 -8.936 -6.236 -16.341 185 1HB SER 22 2HB SER 22 -10.269 -3.707 -15.336 186 2HB SER 22 3HB SER 22 -10.918 -5.036 -16.326 187 HG SER 22 HG SER 22 -10.327 -4.930 -13.572 188 H THR 23 H THR 23 -6.512 -5.510 -16.827 189 HA THR 23 HA THR 23 -5.887 -2.847 -17.397 190 HB THR 23 HB THR 23 -3.983 -3.946 -18.702 191 HG1 THR 23 HG1 THR 23 -3.986 -6.223 -18.590 192 1HG2 THR 23 1HG2 THR 23 -4.561 -5.149 -15.959 193 2HG2 THR 23 2HG2 THR 23 -2.981 -4.973 -16.735 194 3HG2 THR 23 3HG2 THR 23 -3.883 -3.534 -16.229 195 H ARG 24 H ARG 24 -8.405 -3.937 -18.978 196 HA ARG 24 HA ARG 24 -7.447 -3.781 -21.778 197 1HB ARG 24 2HB ARG 24 -10.095 -4.607 -20.526 198 2HB ARG 24 3HB ARG 24 -9.814 -4.498 -22.263 199 1HG ARG 24 2HG ARG 24 -9.676 -6.795 -21.447 200 2HG ARG 24 3HG ARG 24 -8.171 -6.275 -22.219 201 1HD ARG 24 2HD ARG 24 -7.009 -6.156 -20.165 202 2HD ARG 24 3HD ARG 24 -8.524 -6.115 -19.215 203 HE ARG 24 HE ARG 24 -8.514 -8.572 -20.504 204 1HH1 ARG 24 1HH1 ARG 24 -6.253 -6.931 -18.326 205 2HH1 ARG 24 2HH1 ARG 24 -6.502 -8.008 -16.990 206 1HH2 ARG 24 1HH2 ARG 24 -8.407 -10.317 -18.988 207 2HH2 ARG 24 2HH2 ARG 24 -7.419 -10.175 -17.557 208 H LYS 25 H LYS 25 -6.951 -1.459 -21.101 209 HA LYS 25 HA LYS 25 -7.208 0.700 -21.611 210 1HB LYS 25 2HB LYS 25 -8.181 -0.018 -23.724 211 2HB LYS 25 3HB LYS 25 -9.792 -0.102 -22.998 212 1HG LYS 25 2HG LYS 25 -9.577 1.889 -24.323 213 2HG LYS 25 3HG LYS 25 -9.852 2.290 -22.629 214 1HD LYS 25 2HD LYS 25 -7.418 2.823 -22.364 215 2HD LYS 25 3HD LYS 25 -7.136 2.315 -24.040 216 1HE LYS 25 2HE LYS 25 -7.256 4.744 -23.920 217 2HE LYS 25 3HE LYS 25 -8.656 4.142 -24.820 218 1HZ LYS 25 1HZ LYS 25 -9.240 5.827 -23.229 219 2HZ LYS 25 2HZ LYS 25 -9.961 4.402 -22.831 220 3HZ LYS 25 3HZ LYS 25 -8.648 4.924 -21.984 221 H ARG 26 H ARG 26 -10.265 -0.633 -20.343 222 HA ARG 26 HA ARG 26 -11.513 1.637 -19.507 223 1HB ARG 26 2HB ARG 26 -12.727 0.270 -17.904 224 2HB ARG 26 3HB ARG 26 -12.604 -0.507 -19.467 225 1HG ARG 26 2HG ARG 26 -11.035 -2.128 -18.713 226 2HG ARG 26 3HG ARG 26 -10.622 -1.217 -17.254 227 1HD ARG 26 2HD ARG 26 -13.385 -2.379 -17.753 228 2HD ARG 26 3HD ARG 26 -12.098 -3.175 -16.837 229 HE ARG 26 HE ARG 26 -12.626 -0.453 -15.943 230 1HH1 ARG 26 2HH2 ARG 26 -13.590 -3.832 -15.435 231 2HH1 ARG 26 1HH2 ARG 26 -14.358 -3.485 -13.910 232 1HH2 ARG 26 1HH1 ARG 26 -13.615 -0.004 -14.134 233 2HH2 ARG 26 2HH1 ARG 26 -14.422 -1.210 -13.137 234 H LEU 27 H LEU 27 -8.580 0.598 -18.146 235 HA LEU 27 HA LEU 27 -8.514 1.331 -15.493 236 1HB LEU 27 2HB LEU 27 -6.478 2.242 -17.589 237 2HB LEU 27 3HB LEU 27 -6.246 2.079 -15.864 238 HG LEU 27 HG LEU 27 -6.821 -0.459 -16.226 239 1HD1 LEU 27 1HD1 LEU 27 -7.403 -0.864 -18.442 240 2HD1 LEU 27 2HD1 LEU 27 -6.529 0.569 -19.050 241 3HD1 LEU 27 3HD1 LEU 27 -5.651 -0.894 -18.666 242 1HD2 LEU 27 1HD2 LEU 27 -4.454 -0.922 -16.712 243 2HD2 LEU 27 2HD2 LEU 27 -4.230 0.738 -17.303 244 3HD2 LEU 27 3HD2 LEU 27 -4.588 0.435 -15.587 245 H ARG 28 H ARG 28 -8.274 3.516 -18.337 246 HA ARG 28 HA ARG 28 -7.975 5.878 -16.783 247 1HB ARG 28 2HB ARG 28 -7.259 5.687 -19.117 248 2HB ARG 28 3HB ARG 28 -8.924 5.483 -19.658 249 1HG ARG 28 2HG ARG 28 -7.994 7.768 -20.040 250 2HG ARG 28 3HG ARG 28 -9.492 7.757 -19.109 251 1HD ARG 28 2HD ARG 28 -7.766 9.351 -18.240 252 2HD ARG 28 3HD ARG 28 -8.325 8.166 -17.052 253 HE ARG 28 HE ARG 28 -5.941 7.309 -18.481 254 1HH1 ARG 28 2HH1 ARG 28 -7.058 9.344 -15.815 255 2HH1 ARG 28 1HH1 ARG 28 -5.612 9.140 -14.866 256 1HH2 ARG 28 2HH2 ARG 28 -4.051 7.023 -17.243 257 2HH2 ARG 28 1HH2 ARG 28 -3.859 7.824 -15.708 258 H ASP 29 H ASP 29 -10.817 4.577 -18.517 259 HA ASP 29 HA ASP 29 -12.704 6.538 -17.825 260 1HB ASP 29 2HB ASP 29 -13.207 3.547 -18.200 261 2HB ASP 29 3HB ASP 29 -14.377 4.855 -18.393 262 H THR 30 H THR 30 -11.919 3.469 -16.232 263 HA THR 30 HA THR 30 -13.751 3.630 -14.073 264 HB THR 30 HB THR 30 -11.082 2.156 -14.253 265 HG1 THR 30 HG1 THR 30 -12.419 1.593 -15.901 266 1HG2 THR 30 1HG2 THR 30 -11.993 0.670 -12.574 267 2HG2 THR 30 2HG2 THR 30 -12.133 2.316 -11.928 268 3HG2 THR 30 3HG2 THR 30 -13.563 1.519 -12.582 269 H LEU 31 H LEU 31 -10.255 4.560 -14.299 270 HA LEU 31 HA LEU 31 -9.948 5.431 -11.647 271 1HB LEU 31 2HB LEU 31 -8.132 5.037 -13.209 272 2HB LEU 31 3HB LEU 31 -8.558 6.457 -14.164 273 HG LEU 31 HG LEU 31 -7.820 6.597 -11.198 274 1HD1 LEU 31 1HD1 LEU 31 -5.997 5.492 -12.405 275 2HD1 LEU 31 2HD1 LEU 31 -5.986 6.791 -13.619 276 3HD1 LEU 31 3HD1 LEU 31 -5.524 7.129 -11.935 277 1HD2 LEU 31 1HD2 LEU 31 -8.766 8.722 -11.916 278 2HD2 LEU 31 2HD2 LEU 31 -7.025 8.921 -11.910 279 3HD2 LEU 31 3HD2 LEU 31 -7.867 8.666 -13.448 280 H THR 32 H THR 32 -10.676 7.426 -14.559 281 HA THR 32 HA THR 32 -10.989 9.859 -13.145 282 HB THR 32 HB THR 32 -12.377 10.540 -15.179 283 HG1 THR 32 HG1 THR 32 -11.581 7.967 -16.105 284 1HG2 THR 32 1HG2 THR 32 -10.405 10.405 -16.710 285 2HG2 THR 32 2HG2 THR 32 -9.983 10.970 -15.082 286 3HG2 THR 32 3HG2 THR 32 -9.619 9.301 -15.557 287 H SER 33 H SER 33 -13.530 7.535 -14.175 288 HA SER 33 HA SER 33 -15.709 8.913 -13.049 289 1HB SER 33 2HB SER 33 -15.365 5.894 -13.328 290 2HB SER 33 3HB SER 33 -16.894 6.775 -13.127 291 HG SER 33 HG SER 33 -15.064 6.910 -15.292 292 H GLU 34 H GLU 34 -13.743 6.272 -11.521 293 HA GLU 34 HA GLU 34 -15.302 6.366 -9.143 294 1HB GLU 34 2HB GLU 34 -13.665 4.472 -10.041 295 2HB GLU 34 3HB GLU 34 -12.465 5.357 -9.086 296 1HG GLU 34 2HG GLU 34 -13.348 3.857 -7.476 297 2HG GLU 34 3HG GLU 34 -14.362 5.257 -7.198 298 H LYS 35 H LYS 35 -12.150 7.877 -10.016 299 HA LYS 35 HA LYS 35 -11.579 9.132 -7.562 300 1HB LYS 35 2HB LYS 35 -10.031 9.129 -9.430 301 2HB LYS 35 3HB LYS 35 -11.140 10.095 -10.419 302 1HG LYS 35 2HG LYS 35 -10.913 12.003 -8.934 303 2HG LYS 35 3HG LYS 35 -9.928 11.060 -7.792 304 1HD LYS 35 2HD LYS 35 -8.189 10.761 -9.498 305 2HD LYS 35 3HD LYS 35 -9.168 11.623 -10.698 306 1HE LYS 35 2HE LYS 35 -8.139 12.853 -8.091 307 2HE LYS 35 3HE LYS 35 -7.352 13.024 -9.667 308 1HZ LYS 35 1HZ LYS 35 -10.058 13.952 -9.005 309 2HZ LYS 35 2HZ LYS 35 -8.721 14.886 -9.195 310 3HZ LYS 35 3HZ LYS 35 -9.341 14.071 -10.486 311 H SER 36 H SER 36 -13.616 10.297 -10.307 312 HA SER 36 HA SER 36 -14.448 12.700 -9.087 313 1HB SER 36 2HB SER 36 -16.069 10.969 -11.006 314 2HB SER 36 3HB SER 36 -16.324 12.680 -10.632 315 HG SER 36 HG SER 36 -14.036 11.512 -11.851 316 H LYS 37 H LYS 37 -16.085 9.463 -8.966 317 HA LYS 37 HA LYS 37 -18.185 10.213 -7.241 318 1HB LYS 37 2HB LYS 37 -16.686 7.584 -7.543 319 2HB LYS 37 3HB LYS 37 -18.092 7.737 -6.520 320 1HG LYS 37 2HG LYS 37 -18.002 8.254 -9.522 321 2HG LYS 37 3HG LYS 37 -18.618 6.807 -8.732 322 1HD LYS 37 2HD LYS 37 -19.848 9.608 -8.630 323 2HD LYS 37 3HD LYS 37 -20.437 8.181 -9.465 324 1HE LYS 37 2HE LYS 37 -21.800 8.194 -7.604 325 2HE LYS 37 3HE LYS 37 -20.547 7.048 -7.110 326 1HZ LYS 37 1HZ LYS 37 -21.091 8.632 -5.411 327 2HZ LYS 37 2HZ LYS 37 -19.535 8.853 -5.867 328 3HZ LYS 37 3HZ LYS 37 -20.696 9.902 -6.383 329 H ILE 38 H ILE 38 -14.990 8.885 -6.309 330 HA ILE 38 HA ILE 38 -15.336 8.919 -3.518 331 HB ILE 38 HB ILE 38 -12.889 9.196 -5.298 332 1HG1 ILE 38 2HG1 ILE 38 -13.853 6.884 -3.556 333 2HG1 ILE 38 3HG1 ILE 38 -14.296 7.057 -5.253 334 1HG2 ILE 38 1HG2 ILE 38 -11.466 8.715 -3.364 335 2HG2 ILE 38 2HG2 ILE 38 -12.327 10.217 -3.087 336 3HG2 ILE 38 3HG2 ILE 38 -12.871 8.727 -2.287 337 1HD1 ILE 38 1HD1 ILE 38 -11.486 6.628 -4.184 338 2HD1 ILE 38 2HD1 ILE 38 -12.480 5.520 -5.140 339 3HD1 ILE 38 3HD1 ILE 38 -11.875 7.013 -5.880 340 H GLU 39 H GLU 39 -13.826 11.461 -5.597 341 HA GLU 39 HA GLU 39 -13.449 13.325 -3.483 342 1HB GLU 39 2HB GLU 39 -13.754 13.689 -6.487 343 2HB GLU 39 3HB GLU 39 -13.331 15.002 -5.377 344 1HG GLU 39 2HG GLU 39 -11.357 13.756 -4.581 345 2HG GLU 39 3HG GLU 39 -11.731 12.414 -5.669 346 H THR 40 H THR 40 -16.203 12.891 -5.724 347 HA THR 40 HA THR 40 -17.734 15.124 -4.873 348 HB THR 40 HB THR 40 -18.637 12.425 -5.969 349 HG1 THR 40 HG1 THR 40 -17.287 13.583 -7.343 350 1HG2 THR 40 1HG2 THR 40 -20.646 13.627 -6.714 351 2HG2 THR 40 2HG2 THR 40 -20.562 13.576 -4.945 352 3HG2 THR 40 3HG2 THR 40 -20.135 15.072 -5.815 353 H GLU 41 H GLU 41 -17.810 11.700 -3.731 354 HA GLU 41 HA GLU 41 -19.731 12.038 -1.677 355 1HB GLU 41 2HB GLU 41 -17.383 10.140 -2.035 356 2HB GLU 41 3HB GLU 41 -18.481 10.042 -0.647 357 1HG GLU 41 2HG GLU 41 -20.373 9.584 -2.019 358 2HG GLU 41 3HG GLU 41 -19.504 10.010 -3.506 359 H LEU 42 H LEU 42 -16.130 12.121 -1.424 360 HA LEU 42 HA LEU 42 -15.958 12.795 1.278 361 1HB LEU 42 2HB LEU 42 -14.071 12.110 -0.093 362 2HB LEU 42 3HB LEU 42 -14.187 13.562 -1.073 363 HG LEU 42 HG LEU 42 -13.590 14.950 0.928 364 1HD1 LEU 42 1HD1 LEU 42 -13.245 12.214 2.242 365 2HD1 LEU 42 2HD1 LEU 42 -12.592 13.715 2.899 366 3HD1 LEU 42 3HD1 LEU 42 -14.346 13.510 2.765 367 1HD2 LEU 42 1HD2 LEU 42 -11.881 14.192 -0.682 368 2HD2 LEU 42 2HD2 LEU 42 -11.222 14.281 0.961 369 3HD2 LEU 42 3HD2 LEU 42 -11.642 12.703 0.260 370 H LYS 43 H LYS 43 -16.007 15.116 -1.494 371 HA LYS 43 HA LYS 43 -15.914 17.371 0.203 372 1HB LYS 43 2HB LYS 43 -15.186 17.255 -2.182 373 2HB LYS 43 3HB LYS 43 -16.879 17.187 -2.683 374 1HG LYS 43 2HG LYS 43 -15.901 19.426 -2.927 375 2HG LYS 43 3HG LYS 43 -17.260 19.443 -1.802 376 1HD LYS 43 2HD LYS 43 -15.747 19.554 0.122 377 2HD LYS 43 3HD LYS 43 -14.334 19.260 -0.919 378 1HE LYS 43 2HE LYS 43 -14.749 21.426 -2.056 379 2HE LYS 43 3HE LYS 43 -16.185 21.679 -1.045 380 1HZ LYS 43 1HZ LYS 43 -14.769 21.693 0.869 381 2HZ LYS 43 2HZ LYS 43 -13.431 21.441 -0.061 382 3HZ LYS 43 3HZ LYS 43 -14.286 22.842 -0.208 383 H ASN 44 H ASN 44 -18.657 15.644 -1.266 384 HA ASN 44 HA ASN 44 -20.782 17.364 -0.456 385 1HB ASN 44 2HB ASN 44 -21.222 15.613 -2.017 386 2HB ASN 44 3HB ASN 44 -20.565 14.372 -0.946 387 1HD2 ASN 44 2HD2 ASN 44 -21.794 13.522 0.754 388 2HD2 ASN 44 1HD2 ASN 44 -23.505 13.879 0.911 389 H LYS 45 H LYS 45 -19.170 14.603 1.228 390 HA LYS 45 HA LYS 45 -20.798 14.870 3.589 391 1HB LYS 45 2HB LYS 45 -18.114 13.530 3.130 392 2HB LYS 45 3HB LYS 45 -19.043 13.394 4.622 393 1HG LYS 45 2HG LYS 45 -20.112 12.579 1.877 394 2HG LYS 45 3HG LYS 45 -19.289 11.469 2.948 395 1HD LYS 45 2HD LYS 45 -21.856 12.959 3.709 396 2HD LYS 45 3HD LYS 45 -21.816 11.379 2.926 397 1HE LYS 45 2HE LYS 45 -20.541 10.416 4.767 398 2HE LYS 45 3HE LYS 45 -20.511 11.982 5.612 399 1HZ LYS 45 1HZ LYS 45 -22.918 10.439 4.949 400 2HZ LYS 45 2HZ LYS 45 -22.224 10.568 6.438 401 3HZ LYS 45 3HZ LYS 45 -22.888 11.895 5.723 402 H MET 46 H MET 46 -17.710 16.405 2.581 403 HA MET 46 HA MET 46 -17.283 17.727 5.094 404 1HB MET 46 2HB MET 46 -16.538 18.522 2.256 405 2HB MET 46 3HB MET 46 -16.108 19.462 3.685 406 1HG MET 46 2HG MET 46 -14.857 17.615 4.619 407 2HG MET 46 3HG MET 46 -15.308 16.566 3.269 408 1HE MET 46 1HE MET 46 -11.461 17.182 2.765 409 2HE MET 46 2HE MET 46 -12.298 17.128 4.335 410 3HE MET 46 3HE MET 46 -12.744 15.983 3.047 411 H GLN 47 H GLN 47 -19.111 18.815 2.150 412 HA GLN 47 HA GLN 47 -20.864 20.430 3.831 413 1HB GLN 47 2HB GLN 47 -20.140 22.646 2.813 414 2HB GLN 47 3HB GLN 47 -19.155 21.940 4.074 415 1HG GLN 47 2HG GLN 47 -17.694 22.867 2.489 416 2HG GLN 47 3HG GLN 47 -17.509 21.124 2.374 417 1HE2 GLN 47 2HE2 GLN 47 -18.438 20.021 0.413 418 2HE2 GLN 47 1HE2 GLN 47 -18.779 21.011 -0.993 419 H GLN 48 H GLN 48 -21.953 18.630 2.358 420 HA GLN 48 HA GLN 48 -22.907 19.099 -0.132 421 1HB GLN 48 2HB GLN 48 -23.731 17.341 1.386 422 2HB GLN 48 3HB GLN 48 -24.618 18.543 2.337 423 1HG GLN 48 2HG GLN 48 -26.045 19.073 0.399 424 2HG GLN 48 3HG GLN 48 -25.106 17.979 -0.626 425 1HE2 GLN 48 1HE2 GLN 48 -25.154 15.657 -0.082 426 2HE2 GLN 48 2HE2 GLN 48 -26.600 15.005 0.701 427 H LYS 49 H LYS 49 -23.973 20.905 2.760 428 HA LYS 49 HA LYS 49 -25.465 22.923 1.238 429 1HB LYS 49 2HB LYS 49 -25.431 24.124 3.437 430 2HB LYS 49 3HB LYS 49 -26.243 22.563 3.446 431 1HG LYS 49 2HG LYS 49 -24.634 21.500 4.715 432 2HG LYS 49 3HG LYS 49 -23.328 22.601 4.260 433 1HD LYS 49 2HD LYS 49 -25.677 23.456 5.998 434 2HD LYS 49 3HD LYS 49 -24.172 22.774 6.639 435 1HE LYS 49 2HE LYS 49 -22.862 24.579 5.512 436 2HE LYS 49 3HE LYS 49 -24.370 25.335 4.982 437 1HZ LYS 49 1HZ LYS 49 -24.985 25.551 7.289 438 2HZ LYS 49 2HZ LYS 49 -23.564 24.865 7.764 439 3HZ LYS 49 3HZ LYS 49 -23.554 26.311 6.979 440 H SER 50 H SER 50 -23.503 22.992 -0.280 441 HA SER 50 HA SER 50 -21.030 24.026 0.638 442 1HB SER 50 2HB SER 50 -20.503 24.104 -1.780 443 2HB SER 50 3HB SER 50 -21.260 22.571 -1.309 444 HG SER 50 HG SER 50 -22.582 24.816 -2.438 445 H GLN 51 H GLN 51 -22.077 25.867 1.838 446 HA GLN 51 HA GLN 51 -22.232 28.109 2.187 447 1HB GLN 51 2HB GLN 51 -20.455 28.233 -0.294 448 2HB GLN 51 3HB GLN 51 -20.724 29.543 0.852 449 1HG GLN 51 2HG GLN 51 -18.621 28.509 1.380 450 2HG GLN 51 3HG GLN 51 -19.767 28.203 2.686 451 1HE2 GLN 51 1HE2 GLN 51 -18.706 26.615 -0.423 452 2HE2 GLN 51 2HE2 GLN 51 -18.650 25.000 0.282 453 H LYS 52 H LYS 52 -24.246 26.793 0.385 454 HA LYS 52 HA LYS 52 -25.064 28.817 -1.534 455 1HB LYS 52 2HB LYS 52 -27.002 27.314 -1.848 456 2HB LYS 52 3HB LYS 52 -25.438 26.561 -2.143 457 1HG LYS 52 2HG LYS 52 -25.486 25.258 -0.202 458 2HG LYS 52 3HG LYS 52 -26.717 26.238 0.590 459 1HD LYS 52 2HD LYS 52 -27.116 24.391 -1.810 460 2HD LYS 52 3HD LYS 52 -27.588 24.062 -0.141 461 1HE LYS 52 2HE LYS 52 -28.821 26.091 -2.046 462 2HE LYS 52 3HE LYS 52 -29.576 24.697 -1.278 463 1HZ LYS 52 1HZ LYS 52 -30.202 26.709 -0.206 464 2HZ LYS 52 2HZ LYS 52 -29.302 25.805 0.839 465 3HZ LYS 52 3HZ LYS 52 -28.636 27.121 0.096 466 H LYS 53 H LYS 53 -24.896 30.357 0.447 467 HA LYS 53 HA LYS 53 -27.632 30.733 1.657 468 1HB LYS 53 2HB LYS 53 -24.912 31.379 2.854 469 2HB LYS 53 3HB LYS 53 -26.482 31.656 3.614 470 1HG LYS 53 2HG LYS 53 -25.295 28.926 2.923 471 2HG LYS 53 3HG LYS 53 -25.304 29.704 4.507 472 1HD LYS 53 2HD LYS 53 -27.804 29.696 4.505 473 2HD LYS 53 3HD LYS 53 -27.794 28.887 2.931 474 1HE LYS 53 2HE LYS 53 -28.165 27.234 4.646 475 2HE LYS 53 3HE LYS 53 -26.582 26.954 3.902 476 1HZ LYS 53 1HZ LYS 53 -26.535 26.786 6.289 477 2HZ LYS 53 2HZ LYS 53 -25.582 28.033 5.787 478 3HZ LYS 53 3HZ LYS 53 -27.058 28.340 6.453 479 HA PRO 54 HA PRO 54 -26.521 34.493 -0.839 480 1HB PRO 54 2HB PRO 54 -28.615 34.554 -2.565 481 2HB PRO 54 3HB PRO 54 -27.242 33.444 -2.805 482 1HG PRO 54 2HG PRO 54 -29.870 32.792 -1.415 483 2HG PRO 54 3HG PRO 54 -29.135 31.924 -2.799 484 1HD PRO 54 2HD PRO 54 -28.763 31.090 -0.260 485 2HD PRO 54 3HD PRO 54 -27.410 31.059 -1.432 486 H GLU 55 H GLU 55 -27.183 34.753 1.699 487 HA GLU 55 HA GLU 55 -29.891 35.551 2.263 488 1HB GLU 55 2HB GLU 55 -27.281 36.135 3.731 489 2HB GLU 55 3HB GLU 55 -28.904 36.458 4.359 490 1HG GLU 55 2HG GLU 55 -29.471 34.045 4.188 491 2HG GLU 55 3HG GLU 55 -27.847 33.700 3.572 Start of MODEL 3 1 1H MET 1 H MET 1 -18.850 10.237 11.002 2 HA MET 1 HA MET 1 -18.093 9.971 8.744 3 1HB MET 1 2HB MET 1 -17.338 12.033 9.959 4 2HB MET 1 3HB MET 1 -15.828 11.206 10.374 5 1HG MET 1 2HG MET 1 -15.475 12.653 8.460 6 2HG MET 1 3HG MET 1 -15.317 10.984 7.945 7 1HE MET 1 1HE MET 1 -16.667 12.661 4.717 8 2HE MET 1 2HE MET 1 -15.493 13.310 5.884 9 3HE MET 1 3HE MET 1 -15.436 11.591 5.423 10 H ALA 2 H ALA 2 -16.122 8.419 11.180 11 HA ALA 2 HA ALA 2 -13.987 7.349 9.753 12 1HB ALA 2 1HB ALA 2 -14.012 5.503 11.380 13 2HB ALA 2 2HB ALA 2 -14.297 7.063 12.174 14 3HB ALA 2 3HB ALA 2 -15.655 5.950 11.889 15 H SER 3 H SER 3 -17.288 6.001 9.998 16 HA SER 3 HA SER 3 -16.967 3.735 8.359 17 1HB SER 3 2HB SER 3 -18.980 4.238 9.737 18 2HB SER 3 3HB SER 3 -19.424 5.530 8.602 19 HG SER 3 HG SER 3 -19.170 2.758 8.009 20 H VAL 4 H VAL 4 -17.604 7.153 7.429 21 HA VAL 4 HA VAL 4 -18.078 6.573 4.642 22 HB VAL 4 HB VAL 4 -17.214 9.183 5.962 23 1HG1 VAL 4 1HG1 VAL 4 -18.194 10.228 3.966 24 2HG1 VAL 4 2HG1 VAL 4 -16.822 9.200 3.550 25 3HG1 VAL 4 3HG1 VAL 4 -18.476 8.623 3.252 26 1HG2 VAL 4 1HG2 VAL 4 -19.618 9.769 5.867 27 2HG2 VAL 4 2HG2 VAL 4 -19.999 8.130 5.296 28 3HG2 VAL 4 3HG2 VAL 4 -19.349 8.385 6.930 29 H LEU 5 H LEU 5 -15.254 7.728 6.553 30 HA LEU 5 HA LEU 5 -13.413 7.867 4.390 31 1HB LEU 5 2HB LEU 5 -12.848 7.101 7.282 32 2HB LEU 5 3HB LEU 5 -11.643 7.603 6.095 33 HG LEU 5 HG LEU 5 -13.928 9.338 7.126 34 1HD1 LEU 5 1HD1 LEU 5 -12.170 10.566 8.317 35 2HD1 LEU 5 2HD1 LEU 5 -12.204 8.871 8.832 36 3HD1 LEU 5 3HD1 LEU 5 -10.944 9.430 7.712 37 1HD2 LEU 5 1HD2 LEU 5 -11.607 9.994 5.262 38 2HD2 LEU 5 2HD2 LEU 5 -13.341 10.049 4.863 39 3HD2 LEU 5 3HD2 LEU 5 -12.670 11.196 6.023 40 H GLU 6 H GLU 6 -14.138 5.107 6.553 41 HA GLU 6 HA GLU 6 -12.415 3.197 5.395 42 1HB GLU 6 2HB GLU 6 -15.141 2.923 6.710 43 2HB GLU 6 3HB GLU 6 -14.129 1.544 6.283 44 1HG GLU 6 2HG GLU 6 -12.451 2.105 7.851 45 2HG GLU 6 3HG GLU 6 -13.009 3.768 8.025 46 H GLU 7 H GLU 7 -15.874 3.898 4.562 47 HA GLU 7 HA GLU 7 -15.988 2.009 2.445 48 1HB GLU 7 2HB GLU 7 -17.566 4.551 2.994 49 2HB GLU 7 3HB GLU 7 -17.927 3.474 1.639 50 1HG GLU 7 2HG GLU 7 -17.884 2.571 4.558 51 2HG GLU 7 3HG GLU 7 -19.334 3.024 3.658 52 H LEU 8 H LEU 8 -15.183 5.522 2.295 53 HA LEU 8 HA LEU 8 -14.804 5.570 -0.541 54 1HB LEU 8 2HB LEU 8 -13.518 7.230 1.658 55 2HB LEU 8 3HB LEU 8 -13.390 7.604 -0.064 56 HG LEU 8 HG LEU 8 -16.043 7.485 1.442 57 1HD1 LEU 8 1HD1 LEU 8 -14.291 9.839 0.630 58 2HD1 LEU 8 2HD1 LEU 8 -15.928 9.966 1.310 59 3HD1 LEU 8 3HD1 LEU 8 -14.610 9.296 2.289 60 1HD2 LEU 8 1HD2 LEU 8 -16.901 8.717 -0.524 61 2HD2 LEU 8 2HD2 LEU 8 -15.334 8.524 -1.328 62 3HD2 LEU 8 3HD2 LEU 8 -16.344 7.105 -0.973 63 H GLN 9 H GLN 9 -12.464 4.959 2.121 64 HA GLN 9 HA GLN 9 -10.208 4.537 0.494 65 1HB GLN 9 2HB GLN 9 -10.061 4.816 2.910 66 2HB GLN 9 3HB GLN 9 -10.971 3.327 3.184 67 1HG GLN 9 2HG GLN 9 -8.600 2.981 3.588 68 2HG GLN 9 3HG GLN 9 -9.129 1.979 2.239 69 1HE2 GLN 9 1HE2 GLN 9 -8.561 2.721 0.004 70 2HE2 GLN 9 2HE2 GLN 9 -7.114 3.711 -0.170 71 H LYS 10 H LYS 10 -12.758 2.221 1.555 72 HA LYS 10 HA LYS 10 -11.577 -0.055 0.318 73 1HB LYS 10 2HB LYS 10 -13.328 -0.221 2.001 74 2HB LYS 10 3HB LYS 10 -14.499 0.539 0.899 75 1HG LYS 10 2HG LYS 10 -14.390 -1.335 -0.650 76 2HG LYS 10 3HG LYS 10 -12.960 -1.991 0.166 77 1HD LYS 10 2HD LYS 10 -14.879 -3.289 0.758 78 2HD LYS 10 3HD LYS 10 -14.263 -2.424 2.181 79 1HE LYS 10 2HE LYS 10 -16.067 -0.721 1.937 80 2HE LYS 10 3HE LYS 10 -16.646 -1.530 0.467 81 1HZ LYS 10 1HZ LYS 10 -16.590 -2.684 3.167 82 2HZ LYS 10 2HZ LYS 10 -17.915 -2.074 2.408 83 3HZ LYS 10 3HZ LYS 10 -17.176 -3.425 1.814 84 H ASP 11 H ASP 11 -13.981 2.334 -0.905 85 HA ASP 11 HA ASP 11 -14.372 1.145 -3.441 86 1HB ASP 11 2HB ASP 11 -15.740 2.992 -2.473 87 2HB ASP 11 3HB ASP 11 -14.393 4.112 -2.724 88 H LEU 12 H LEU 12 -11.905 3.458 -2.301 89 HA LEU 12 HA LEU 12 -10.456 3.701 -4.728 90 1HB LEU 12 2HB LEU 12 -10.359 5.096 -2.634 91 2HB LEU 12 3HB LEU 12 -9.338 3.870 -1.898 92 HG LEU 12 HG LEU 12 -8.614 5.218 -4.530 93 1HD1 LEU 12 1HD1 LEU 12 -7.284 6.825 -3.191 94 2HD1 LEU 12 2HD1 LEU 12 -9.016 6.985 -2.865 95 3HD1 LEU 12 3HD1 LEU 12 -7.969 6.147 -1.698 96 1HD2 LEU 12 1HD2 LEU 12 -7.252 3.238 -3.960 97 2HD2 LEU 12 2HD2 LEU 12 -6.289 4.699 -3.763 98 3HD2 LEU 12 3HD2 LEU 12 -6.950 3.879 -2.334 99 H GLU 13 H GLU 13 -10.226 1.257 -2.024 100 HA GLU 13 HA GLU 13 -7.953 -0.061 -3.124 101 1HB GLU 13 2HB GLU 13 -8.911 -0.332 -0.785 102 2HB GLU 13 3HB GLU 13 -10.189 -1.332 -1.489 103 1HG GLU 13 2HG GLU 13 -8.414 -2.737 -0.579 104 2HG GLU 13 3HG GLU 13 -8.489 -2.928 -2.334 105 H GLU 14 H GLU 14 -11.443 -0.550 -3.577 106 HA GLU 14 HA GLU 14 -11.321 -2.708 -5.374 107 1HB GLU 14 2HB GLU 14 -13.373 -1.770 -4.206 108 2HB GLU 14 3HB GLU 14 -13.380 -0.453 -5.387 109 1HG GLU 14 2HG GLU 14 -14.957 -2.165 -6.050 110 2HG GLU 14 3HG GLU 14 -13.635 -2.116 -7.224 111 H VAL 15 H VAL 15 -11.288 0.867 -6.038 112 HA VAL 15 HA VAL 15 -11.084 0.518 -8.813 113 HB VAL 15 HB VAL 15 -11.301 2.764 -7.314 114 1HG1 VAL 15 1HG1 VAL 15 -8.535 3.022 -8.592 115 2HG1 VAL 15 2HG1 VAL 15 -9.482 4.296 -7.814 116 3HG1 VAL 15 3HG1 VAL 15 -8.822 2.991 -6.844 117 1HG2 VAL 15 1HG2 VAL 15 -11.035 3.928 -9.553 118 2HG2 VAL 15 2HG2 VAL 15 -10.393 2.417 -10.202 119 3HG2 VAL 15 3HG2 VAL 15 -12.066 2.484 -9.592 120 H LYS 16 H LYS 16 -8.412 0.697 -6.401 121 HA LYS 16 HA LYS 16 -6.306 0.423 -8.311 122 1HB LYS 16 2HB LYS 16 -6.483 -0.575 -5.451 123 2HB LYS 16 3HB LYS 16 -5.011 -0.629 -6.437 124 1HG LYS 16 2HG LYS 16 -5.159 1.843 -6.773 125 2HG LYS 16 3HG LYS 16 -6.531 1.893 -5.665 126 1HD LYS 16 2HD LYS 16 -3.691 0.953 -5.010 127 2HD LYS 16 3HD LYS 16 -4.404 2.509 -4.553 128 1HE LYS 16 2HE LYS 16 -6.135 1.285 -3.206 129 2HE LYS 16 3HE LYS 16 -5.317 -0.244 -3.593 130 1HZ LYS 16 1HZ LYS 16 -4.681 0.569 -1.495 131 2HZ LYS 16 2HZ LYS 16 -3.380 0.578 -2.507 132 3HZ LYS 16 3HZ LYS 16 -4.138 1.994 -2.126 133 H VAL 17 H VAL 17 -8.048 -2.158 -6.510 134 HA VAL 17 HA VAL 17 -6.763 -4.376 -7.643 135 HB VAL 17 HB VAL 17 -9.596 -3.959 -6.626 136 1HG1 VAL 17 1HG1 VAL 17 -9.776 -5.847 -8.158 137 2HG1 VAL 17 2HG1 VAL 17 -8.301 -6.572 -7.475 138 3HG1 VAL 17 3HG1 VAL 17 -9.776 -6.441 -6.495 139 1HG2 VAL 17 1HG2 VAL 17 -7.208 -5.475 -5.476 140 2HG2 VAL 17 2HG2 VAL 17 -7.651 -3.828 -5.007 141 3HG2 VAL 17 3HG2 VAL 17 -8.761 -5.164 -4.673 142 H LEU 18 H LEU 18 -9.723 -2.723 -8.890 143 HA LEU 18 HA LEU 18 -9.899 -4.350 -11.245 144 1HB LEU 18 2HB LEU 18 -10.905 -1.542 -10.657 145 2HB LEU 18 3HB LEU 18 -11.342 -2.468 -12.099 146 HG LEU 18 HG LEU 18 -11.914 -3.404 -9.246 147 1HD1 LEU 18 1HD1 LEU 18 -14.236 -2.736 -9.719 148 2HD1 LEU 18 2HD1 LEU 18 -13.144 -1.339 -9.787 149 3HD1 LEU 18 3HD1 LEU 18 -13.736 -2.078 -11.293 150 1HD2 LEU 18 1HD2 LEU 18 -11.836 -5.300 -10.799 151 2HD2 LEU 18 2HD2 LEU 18 -13.515 -4.937 -10.405 152 3HD2 LEU 18 3HD2 LEU 18 -12.849 -4.423 -11.968 153 H LEU 19 H LEU 19 -8.310 -1.206 -10.678 154 HA LEU 19 HA LEU 19 -7.524 -0.601 -13.285 155 1HB LEU 19 2HB LEU 19 -7.311 0.820 -11.143 156 2HB LEU 19 3HB LEU 19 -5.863 -0.116 -10.780 157 HG LEU 19 HG LEU 19 -5.143 0.712 -13.222 158 1HD1 LEU 19 1HD1 LEU 19 -7.439 1.817 -13.579 159 2HD1 LEU 19 2HD1 LEU 19 -7.035 2.915 -12.254 160 3HD1 LEU 19 3HD1 LEU 19 -6.062 2.928 -13.739 161 1HD2 LEU 19 1HD2 LEU 19 -3.938 1.236 -11.156 162 2HD2 LEU 19 2HD2 LEU 19 -4.101 2.692 -12.154 163 3HD2 LEU 19 3HD2 LEU 19 -5.145 2.469 -10.732 164 H GLU 20 H GLU 20 -5.897 -2.596 -10.802 165 HA GLU 20 HA GLU 20 -3.639 -3.331 -12.437 166 1HB GLU 20 2HB GLU 20 -4.934 -4.641 -10.008 167 2HB GLU 20 3HB GLU 20 -3.413 -5.179 -10.736 168 1HG GLU 20 2HG GLU 20 -2.325 -3.084 -10.232 169 2HG GLU 20 3HG GLU 20 -3.840 -2.324 -9.739 170 H LYS 21 H LYS 21 -6.609 -5.187 -11.545 171 HA LYS 21 HA LYS 21 -5.860 -7.429 -13.130 172 1HB LYS 21 2HB LYS 21 -8.516 -6.597 -11.908 173 2HB LYS 21 3HB LYS 21 -8.237 -8.157 -12.702 174 1HG LYS 21 2HG LYS 21 -6.442 -8.698 -11.133 175 2HG LYS 21 3HG LYS 21 -6.637 -7.138 -10.311 176 1HD LYS 21 2HD LYS 21 -8.945 -7.691 -9.698 177 2HD LYS 21 3HD LYS 21 -8.850 -9.235 -10.552 178 1HE LYS 21 2HE LYS 21 -7.075 -8.454 -8.185 179 2HE LYS 21 3HE LYS 21 -8.543 -9.440 -8.069 180 1HZ LYS 21 1HZ LYS 21 -6.131 -10.130 -9.590 181 2HZ LYS 21 2HZ LYS 21 -6.613 -10.795 -8.163 182 3HZ LYS 21 3HZ LYS 21 -7.509 -11.033 -9.525 183 H SER 22 H SER 22 -8.444 -4.984 -13.806 184 HA SER 22 HA SER 22 -9.056 -6.357 -16.337 185 1HB SER 22 2HB SER 22 -10.238 -3.855 -15.058 186 2HB SER 22 3HB SER 22 -10.948 -4.818 -16.368 187 HG SER 22 HG SER 22 -10.911 -6.608 -14.816 188 H THR 23 H THR 23 -6.538 -5.609 -16.698 189 HA THR 23 HA THR 23 -5.921 -2.970 -17.229 190 HB THR 23 HB THR 23 -4.305 -5.090 -18.559 191 HG1 THR 23 HG1 THR 23 -4.583 -5.192 -15.744 192 1HG2 THR 23 1HG2 THR 23 -3.425 -2.798 -18.058 193 2HG2 THR 23 2HG2 THR 23 -3.667 -3.111 -16.323 194 3HG2 THR 23 3HG2 THR 23 -2.505 -4.083 -17.248 195 H ARG 24 H ARG 24 -8.190 -3.218 -18.860 196 HA ARG 24 HA ARG 24 -7.144 -2.886 -21.634 197 1HB ARG 24 2HB ARG 24 -9.991 -2.808 -20.552 198 2HB ARG 24 3HB ARG 24 -9.498 -2.717 -22.253 199 1HG ARG 24 2HG ARG 24 -8.505 -4.997 -22.072 200 2HG ARG 24 3HG ARG 24 -9.063 -5.098 -20.395 201 1HD ARG 24 2HD ARG 24 -10.688 -6.250 -21.773 202 2HD ARG 24 3HD ARG 24 -11.409 -4.778 -21.140 203 HE ARG 24 HE ARG 24 -11.639 -3.946 -23.260 204 1HH1 ARG 24 1HH1 ARG 24 -9.349 -6.633 -23.384 205 2HH1 ARG 24 2HH1 ARG 24 -9.362 -6.756 -25.122 206 1HH2 ARG 24 2HH2 ARG 24 -11.656 -4.084 -25.536 207 2HH2 ARG 24 1HH2 ARG 24 -10.673 -5.258 -26.361 208 H LYS 25 H LYS 25 -8.291 -0.810 -22.671 209 HA LYS 25 HA LYS 25 -7.473 1.542 -21.395 210 1HB LYS 25 2HB LYS 25 -8.615 2.742 -23.028 211 2HB LYS 25 3HB LYS 25 -8.057 1.275 -23.824 212 1HG LYS 25 2HG LYS 25 -10.904 1.871 -22.872 213 2HG LYS 25 3HG LYS 25 -10.301 1.989 -24.521 214 1HD LYS 25 2HD LYS 25 -9.785 -0.465 -24.511 215 2HD LYS 25 3HD LYS 25 -10.568 -0.595 -22.922 216 1HE LYS 25 2HE LYS 25 -11.906 0.373 -25.484 217 2HE LYS 25 3HE LYS 25 -12.093 -1.226 -24.751 218 1HZ LYS 25 1HZ LYS 25 -13.887 0.190 -24.158 219 2HZ LYS 25 2HZ LYS 25 -13.008 -0.157 -22.808 220 3HZ LYS 25 3HZ LYS 25 -12.876 1.322 -23.523 221 H ARG 26 H ARG 26 -10.181 -0.417 -20.686 222 HA ARG 26 HA ARG 26 -12.093 1.218 -19.543 223 1HB ARG 26 2HB ARG 26 -12.263 -1.234 -19.892 224 2HB ARG 26 3HB ARG 26 -11.024 -1.499 -18.655 225 1HG ARG 26 2HG ARG 26 -13.202 -2.011 -17.769 226 2HG ARG 26 3HG ARG 26 -12.515 -0.640 -16.923 227 1HD ARG 26 2HD ARG 26 -14.087 0.433 -19.098 228 2HD ARG 26 3HD ARG 26 -15.024 -0.887 -18.392 229 HE ARG 26 HE ARG 26 -14.067 0.607 -16.226 230 1HH1 ARG 26 1HH1 ARG 26 -16.238 1.117 -18.975 231 2HH1 ARG 26 2HH1 ARG 26 -17.124 2.403 -18.202 232 1HH2 ARG 26 2HH2 ARG 26 -15.215 2.206 -15.212 233 2HH2 ARG 26 1HH2 ARG 26 -16.545 3.032 -15.989 234 H LEU 27 H LEU 27 -8.882 0.358 -18.276 235 HA LEU 27 HA LEU 27 -8.945 1.262 -15.634 236 1HB LEU 27 2HB LEU 27 -6.957 1.414 -17.907 237 2HB LEU 27 3HB LEU 27 -6.611 2.308 -16.431 238 HG LEU 27 HG LEU 27 -6.463 0.427 -15.091 239 1HD1 LEU 27 1HD1 LEU 27 -7.661 -1.269 -17.287 240 2HD1 LEU 27 2HD1 LEU 27 -7.060 -1.862 -15.730 241 3HD1 LEU 27 3HD1 LEU 27 -8.479 -0.848 -15.772 242 1HD2 LEU 27 1HD2 LEU 27 -5.312 -0.397 -17.783 243 2HD2 LEU 27 2HD2 LEU 27 -4.569 0.756 -16.650 244 3HD2 LEU 27 3HD2 LEU 27 -4.765 -0.941 -16.182 245 H ARG 28 H ARG 28 -8.780 3.336 -18.566 246 HA ARG 28 HA ARG 28 -8.382 5.773 -17.130 247 1HB ARG 28 2HB ARG 28 -7.949 5.370 -19.537 248 2HB ARG 28 3HB ARG 28 -9.674 5.308 -19.866 249 1HG ARG 28 2HG ARG 28 -8.193 7.714 -18.679 250 2HG ARG 28 3HG ARG 28 -8.468 7.457 -20.398 251 1HD ARG 28 2HD ARG 28 -10.565 8.044 -18.277 252 2HD ARG 28 3HD ARG 28 -10.121 9.026 -19.640 253 HE ARG 28 HE ARG 28 -11.974 6.799 -19.590 254 1HH1 ARG 28 1HH2 ARG 28 -9.765 8.562 -21.709 255 2HH1 ARG 28 2HH2 ARG 28 -10.643 8.191 -23.166 256 1HH2 ARG 28 2HH1 ARG 28 -13.145 6.321 -21.480 257 2HH2 ARG 28 1HH1 ARG 28 -12.586 6.883 -23.033 258 H ASP 29 H ASP 29 -11.302 4.293 -18.532 259 HA ASP 29 HA ASP 29 -13.198 6.211 -17.696 260 1HB ASP 29 2HB ASP 29 -13.594 3.208 -18.076 261 2HB ASP 29 3HB ASP 29 -14.860 4.445 -18.097 262 H THR 30 H THR 30 -12.258 3.124 -16.184 263 HA THR 30 HA THR 30 -13.930 3.235 -13.918 264 HB THR 30 HB THR 30 -11.168 1.942 -14.126 265 HG1 THR 30 HG1 THR 30 -12.369 1.261 -15.823 266 1HG2 THR 30 1HG2 THR 30 -13.638 1.188 -12.495 267 2HG2 THR 30 2HG2 THR 30 -12.115 0.279 -12.590 268 3HG2 THR 30 3HG2 THR 30 -12.139 1.885 -11.843 269 H LEU 31 H LEU 31 -10.468 4.205 -14.211 270 HA LEU 31 HA LEU 31 -10.137 5.126 -11.591 271 1HB LEU 31 2HB LEU 31 -8.339 4.718 -13.210 272 2HB LEU 31 3HB LEU 31 -8.833 6.098 -14.180 273 HG LEU 31 HG LEU 31 -6.813 6.393 -12.759 274 1HD1 LEU 31 1HD1 LEU 31 -8.172 8.344 -13.573 275 2HD1 LEU 31 2HD1 LEU 31 -8.922 8.426 -11.962 276 3HD1 LEU 31 3HD1 LEU 31 -7.182 8.641 -12.135 277 1HD2 LEU 31 1HD2 LEU 31 -8.706 6.495 -10.377 278 2HD2 LEU 31 2HD2 LEU 31 -7.611 5.145 -10.756 279 3HD2 LEU 31 3HD2 LEU 31 -6.954 6.748 -10.376 280 H THR 32 H THR 32 -10.997 7.000 -14.548 281 HA THR 32 HA THR 32 -11.248 9.489 -13.261 282 HB THR 32 HB THR 32 -12.792 8.525 -15.710 283 HG1 THR 32 HG1 THR 32 -10.607 8.199 -15.991 284 1HG2 THR 32 1HG2 THR 32 -12.676 10.914 -16.361 285 2HG2 THR 32 2HG2 THR 32 -13.589 10.720 -14.855 286 3HG2 THR 32 3HG2 THR 32 -11.912 11.311 -14.810 287 H SER 33 H SER 33 -13.802 7.047 -13.958 288 HA SER 33 HA SER 33 -15.974 8.522 -12.913 289 1HB SER 33 2HB SER 33 -15.601 5.490 -12.967 290 2HB SER 33 3HB SER 33 -17.132 6.366 -12.788 291 HG SER 33 HG SER 33 -15.377 6.376 -15.020 292 H GLU 34 H GLU 34 -13.954 5.988 -11.306 293 HA GLU 34 HA GLU 34 -15.401 6.195 -8.863 294 1HB GLU 34 2HB GLU 34 -13.558 4.399 -9.861 295 2HB GLU 34 3HB GLU 34 -12.569 5.292 -8.691 296 1HG GLU 34 2HG GLU 34 -13.517 3.456 -7.494 297 2HG GLU 34 3HG GLU 34 -14.452 4.872 -7.001 298 H LYS 35 H LYS 35 -12.291 7.639 -9.937 299 HA LYS 35 HA LYS 35 -11.604 8.987 -7.566 300 1HB LYS 35 2HB LYS 35 -10.161 8.789 -9.586 301 2HB LYS 35 3HB LYS 35 -11.245 9.900 -10.445 302 1HG LYS 35 2HG LYS 35 -10.717 11.630 -8.637 303 2HG LYS 35 3HG LYS 35 -9.570 10.480 -7.960 304 1HD LYS 35 2HD LYS 35 -8.411 12.122 -9.322 305 2HD LYS 35 3HD LYS 35 -8.255 10.521 -10.055 306 1HE LYS 35 2HE LYS 35 -8.683 12.371 -11.695 307 2HE LYS 35 3HE LYS 35 -9.882 11.081 -11.784 308 1HZ LYS 35 1HZ LYS 35 -10.243 13.621 -10.343 309 2HZ LYS 35 2HZ LYS 35 -10.856 13.272 -11.833 310 3HZ LYS 35 3HZ LYS 35 -11.371 12.434 -10.515 311 H SER 36 H SER 36 -13.620 10.128 -10.340 312 HA SER 36 HA SER 36 -14.241 12.659 -9.270 313 1HB SER 36 2HB SER 36 -15.970 10.921 -11.084 314 2HB SER 36 3HB SER 36 -16.154 12.663 -10.799 315 HG SER 36 HG SER 36 -13.954 11.317 -11.979 316 H LYS 37 H LYS 37 -16.157 9.594 -8.996 317 HA LYS 37 HA LYS 37 -18.191 10.608 -7.323 318 1HB LYS 37 2HB LYS 37 -16.924 7.846 -7.483 319 2HB LYS 37 3HB LYS 37 -18.348 8.194 -6.506 320 1HG LYS 37 2HG LYS 37 -18.233 8.700 -9.513 321 2HG LYS 37 3HG LYS 37 -18.771 7.186 -8.777 322 1HD LYS 37 2HD LYS 37 -20.534 8.433 -7.510 323 2HD LYS 37 3HD LYS 37 -20.062 9.924 -8.351 324 1HE LYS 37 2HE LYS 37 -20.583 8.865 -10.536 325 2HE LYS 37 3HE LYS 37 -21.058 7.372 -9.700 326 1HZ LYS 37 1HZ LYS 37 -22.339 9.994 -9.374 327 2HZ LYS 37 2HZ LYS 37 -22.936 8.723 -10.234 328 3HZ LYS 37 3HZ LYS 37 -22.775 8.606 -8.599 329 H ILE 38 H ILE 38 -15.142 8.990 -6.310 330 HA ILE 38 HA ILE 38 -15.526 9.208 -3.549 331 HB ILE 38 HB ILE 38 -13.017 9.125 -5.254 332 1HG1 ILE 38 2HG1 ILE 38 -14.229 7.026 -3.395 333 2HG1 ILE 38 3HG1 ILE 38 -14.665 7.153 -5.098 334 1HG2 ILE 38 1HG2 ILE 38 -13.176 8.971 -2.213 335 2HG2 ILE 38 2HG2 ILE 38 -11.744 8.576 -3.179 336 3HG2 ILE 38 3HG2 ILE 38 -12.347 10.223 -3.158 337 1HD1 ILE 38 1HD1 ILE 38 -11.886 6.535 -4.025 338 2HD1 ILE 38 2HD1 ILE 38 -12.987 5.451 -4.882 339 3HD1 ILE 38 3HD1 ILE 38 -12.273 6.831 -5.736 340 H GLU 39 H GLU 39 -13.728 11.495 -5.675 341 HA GLU 39 HA GLU 39 -13.124 13.423 -3.690 342 1HB GLU 39 2HB GLU 39 -13.624 13.671 -6.682 343 2HB GLU 39 3HB GLU 39 -13.038 15.009 -5.681 344 1HG GLU 39 2HG GLU 39 -11.047 13.767 -5.037 345 2HG GLU 39 3HG GLU 39 -11.592 12.330 -5.905 346 H THR 40 H THR 40 -15.940 13.208 -5.890 347 HA THR 40 HA THR 40 -17.237 15.581 -5.083 348 HB THR 40 HB THR 40 -18.389 12.973 -6.168 349 HG1 THR 40 HG1 THR 40 -16.907 13.917 -7.532 350 1HG2 THR 40 1HG2 THR 40 -20.218 14.333 -5.234 351 2HG2 THR 40 2HG2 THR 40 -19.608 15.762 -6.112 352 3HG2 THR 40 3HG2 THR 40 -20.231 14.357 -7.004 353 H GLU 41 H GLU 41 -17.753 12.214 -3.888 354 HA GLU 41 HA GLU 41 -19.741 12.865 -1.959 355 1HB GLU 41 2HB GLU 41 -17.717 10.596 -2.147 356 2HB GLU 41 3HB GLU 41 -19.002 10.663 -0.930 357 1HG GLU 41 2HG GLU 41 -20.733 10.637 -2.635 358 2HG GLU 41 3HG GLU 41 -19.544 10.762 -3.935 359 H LEU 42 H LEU 42 -16.198 12.395 -1.604 360 HA LEU 42 HA LEU 42 -15.969 12.904 1.126 361 1HB LEU 42 2HB LEU 42 -14.217 11.996 -0.290 362 2HB LEU 42 3HB LEU 42 -14.043 13.497 -1.169 363 HG LEU 42 HG LEU 42 -12.265 12.999 0.444 364 1HD1 LEU 42 1HD1 LEU 42 -12.756 15.352 -0.241 365 2HD1 LEU 42 2HD1 LEU 42 -13.620 15.575 1.297 366 3HD1 LEU 42 3HD1 LEU 42 -11.906 15.166 1.300 367 1HD2 LEU 42 1HD2 LEU 42 -13.622 11.929 2.213 368 2HD2 LEU 42 2HD2 LEU 42 -12.579 13.212 2.852 369 3HD2 LEU 42 3HD2 LEU 42 -14.313 13.508 2.642 370 H LYS 43 H LYS 43 -15.615 15.277 -1.575 371 HA LYS 43 HA LYS 43 -15.382 17.548 0.057 372 1HB LYS 43 2HB LYS 43 -14.882 17.588 -2.322 373 2HB LYS 43 3HB LYS 43 -16.576 17.275 -2.727 374 1HG LYS 43 2HG LYS 43 -15.938 19.624 -3.054 375 2HG LYS 43 3HG LYS 43 -17.259 19.457 -1.898 376 1HD LYS 43 2HD LYS 43 -15.719 19.788 -0.006 377 2HD LYS 43 3HD LYS 43 -14.325 19.832 -1.102 378 1HE LYS 43 2HE LYS 43 -16.671 21.798 -1.123 379 2HE LYS 43 3HE LYS 43 -15.137 22.070 -0.289 380 1HZ LYS 43 1HZ LYS 43 -15.456 21.702 -3.186 381 2HZ LYS 43 2HZ LYS 43 -15.144 23.117 -2.407 382 3HZ LYS 43 3HZ LYS 43 -14.021 21.911 -2.401 383 H ASN 44 H ASN 44 -18.379 16.211 -1.457 384 HA ASN 44 HA ASN 44 -20.223 18.099 -0.520 385 1HB ASN 44 2HB ASN 44 -20.459 15.155 -1.177 386 2HB ASN 44 3HB ASN 44 -21.788 15.959 -0.350 387 1HD2 ASN 44 1HD2 ASN 44 -19.782 16.197 -3.308 388 2HD2 ASN 44 2HD2 ASN 44 -21.036 17.005 -4.248 389 H LYS 45 H LYS 45 -19.125 15.123 1.172 390 HA LYS 45 HA LYS 45 -20.735 15.378 3.442 391 1HB LYS 45 2HB LYS 45 -17.962 14.217 3.080 392 2HB LYS 45 3HB LYS 45 -18.862 14.062 4.592 393 1HG LYS 45 2HG LYS 45 -20.114 13.205 1.956 394 2HG LYS 45 3HG LYS 45 -19.002 12.150 2.830 395 1HD LYS 45 2HD LYS 45 -20.436 12.142 4.809 396 2HD LYS 45 3HD LYS 45 -21.488 13.376 4.114 397 1HE LYS 45 2HE LYS 45 -22.551 11.205 3.908 398 2HE LYS 45 3HE LYS 45 -22.174 11.853 2.306 399 1HZ LYS 45 1HZ LYS 45 -20.244 10.433 2.263 400 2HZ LYS 45 2HZ LYS 45 -20.594 9.843 3.762 401 3HZ LYS 45 3HZ LYS 45 -21.609 9.544 2.500 402 H MET 46 H MET 46 -17.794 17.257 2.693 403 HA MET 46 HA MET 46 -17.294 18.131 5.377 404 1HB MET 46 2HB MET 46 -16.739 19.573 2.750 405 2HB MET 46 3HB MET 46 -16.064 19.991 4.325 406 1HG MET 46 2HG MET 46 -15.616 17.338 2.910 407 2HG MET 46 3HG MET 46 -14.491 18.693 2.920 408 1HE MET 46 1HE MET 46 -13.897 15.615 3.756 409 2HE MET 46 2HE MET 46 -12.650 16.886 3.646 410 3HE MET 46 3HE MET 46 -12.791 15.895 5.121 411 H GLN 47 H GLN 47 -19.591 19.198 2.899 412 HA GLN 47 HA GLN 47 -21.006 20.786 4.874 413 1HB GLN 47 2HB GLN 47 -20.967 22.889 3.763 414 2HB GLN 47 3HB GLN 47 -19.315 22.394 4.114 415 1HG GLN 47 2HG GLN 47 -20.681 22.542 1.396 416 2HG GLN 47 3HG GLN 47 -19.340 23.484 2.012 417 1HE2 GLN 47 1HE2 GLN 47 -20.270 20.201 0.977 418 2HE2 GLN 47 2HE2 GLN 47 -18.615 19.659 0.654 419 H GLN 48 H GLN 48 -22.850 19.607 4.655 420 HA GLN 48 HA GLN 48 -23.609 18.657 1.952 421 1HB GLN 48 2HB GLN 48 -24.747 18.042 4.704 422 2HB GLN 48 3HB GLN 48 -25.232 17.297 3.163 423 1HG GLN 48 2HG GLN 48 -22.803 16.653 2.806 424 2HG GLN 48 3HG GLN 48 -22.460 17.167 4.461 425 1HE2 GLN 48 1HE2 GLN 48 -22.859 15.659 6.130 426 2HE2 GLN 48 2HE2 GLN 48 -23.564 14.083 5.806 427 H LYS 49 H LYS 49 -23.748 20.932 1.434 428 HA LYS 49 HA LYS 49 -25.057 22.568 0.506 429 1HB LYS 49 2HB LYS 49 -27.301 21.923 2.454 430 2HB LYS 49 3HB LYS 49 -27.340 23.072 1.118 431 1HG LYS 49 2HG LYS 49 -27.026 21.317 -0.530 432 2HG LYS 49 3HG LYS 49 -26.891 20.080 0.711 433 1HD LYS 49 2HD LYS 49 -29.354 21.775 0.106 434 2HD LYS 49 3HD LYS 49 -29.119 20.069 -0.285 435 1HE LYS 49 2HE LYS 49 -29.467 21.304 2.481 436 2HE LYS 49 3HE LYS 49 -30.527 20.166 1.650 437 1HZ LYS 49 1HZ LYS 49 -29.231 19.055 3.276 438 2HZ LYS 49 2HZ LYS 49 -28.752 18.538 1.786 439 3HZ LYS 49 3HZ LYS 49 -27.815 19.600 2.638 440 H SER 50 H SER 50 -26.705 24.017 2.931 441 HA SER 50 HA SER 50 -24.553 25.679 3.750 442 1HB SER 50 2HB SER 50 -27.290 25.406 5.053 443 2HB SER 50 3HB SER 50 -26.239 26.832 4.983 444 HG SER 50 HG SER 50 -27.878 26.938 3.386 445 H GLN 51 H GLN 51 -23.283 23.633 4.417 446 HA GLN 51 HA GLN 51 -22.227 22.358 5.914 447 1HB GLN 51 2HB GLN 51 -23.584 23.969 8.114 448 2HB GLN 51 3HB GLN 51 -22.280 22.794 8.304 449 1HG GLN 51 2HG GLN 51 -20.838 24.190 6.799 450 2HG GLN 51 3HG GLN 51 -22.143 25.384 6.699 451 1HE2 GLN 51 2HE2 GLN 51 -20.164 23.600 9.154 452 2HE2 GLN 51 1HE2 GLN 51 -20.105 24.953 10.272 453 H LYS 52 H LYS 52 -25.340 22.879 7.481 454 HA LYS 52 HA LYS 52 -26.948 21.591 8.325 455 1HB LYS 52 2HB LYS 52 -26.388 19.769 5.955 456 2HB LYS 52 3HB LYS 52 -27.874 19.847 6.890 457 1HG LYS 52 2HG LYS 52 -26.682 22.020 5.114 458 2HG LYS 52 3HG LYS 52 -28.085 21.034 4.762 459 1HD LYS 52 2HD LYS 52 -27.858 23.187 6.921 460 2HD LYS 52 3HD LYS 52 -28.784 23.269 5.428 461 1HE LYS 52 2HE LYS 52 -29.356 21.409 7.783 462 2HE LYS 52 3HE LYS 52 -30.271 22.843 7.312 463 1HZ LYS 52 1HZ LYS 52 -31.310 20.864 6.537 464 2HZ LYS 52 2HZ LYS 52 -30.804 21.759 5.248 465 3HZ LYS 52 3HZ LYS 52 -29.966 20.411 5.700 466 H LYS 53 H LYS 53 -24.687 19.117 7.154 467 HA LYS 53 HA LYS 53 -24.300 18.058 9.893 468 1HB LYS 53 2HB LYS 53 -24.580 15.718 8.896 469 2HB LYS 53 3HB LYS 53 -25.998 16.624 9.426 470 1HG LYS 53 2HG LYS 53 -26.645 17.193 7.189 471 2HG LYS 53 3HG LYS 53 -25.118 16.582 6.525 472 1HD LYS 53 2HD LYS 53 -25.685 14.308 7.283 473 2HD LYS 53 3HD LYS 53 -27.199 14.909 7.989 474 1HE LYS 53 2HE LYS 53 -27.985 15.610 5.738 475 2HE LYS 53 3HE LYS 53 -26.460 15.057 5.022 476 1HZ LYS 53 1HZ LYS 53 -28.186 13.450 4.769 477 2HZ LYS 53 2HZ LYS 53 -26.990 12.847 5.727 478 3HZ LYS 53 3HZ LYS 53 -28.410 13.352 6.399 479 HA PRO 54 HA PRO 54 -20.607 18.581 7.117 480 1HB PRO 54 2HB PRO 54 -18.958 19.832 8.905 481 2HB PRO 54 3HB PRO 54 -20.194 20.692 7.946 482 1HG PRO 54 2HG PRO 54 -20.433 19.709 10.799 483 2HG PRO 54 3HG PRO 54 -20.855 21.324 10.163 484 1HD PRO 54 2HD PRO 54 -22.712 19.372 10.533 485 2HD PRO 54 3HD PRO 54 -22.835 20.479 9.137 486 H GLU 55 H GLU 55 -19.678 16.622 6.927 487 HA GLU 55 HA GLU 55 -18.910 14.552 7.384 488 1HB GLU 55 2HB GLU 55 -17.440 15.998 9.638 489 2HB GLU 55 3HB GLU 55 -17.039 14.411 8.966 490 1HG GLU 55 2HG GLU 55 -16.748 15.519 6.698 491 2HG GLU 55 3HG GLU 55 -16.954 17.083 7.504 Start of MODEL 4 1 1H MET 1 H MET 1 -20.353 9.549 9.864 2 HA MET 1 HA MET 1 -19.081 10.144 7.868 3 1HB MET 1 2HB MET 1 -19.240 11.735 9.821 4 2HB MET 1 3HB MET 1 -17.634 11.215 10.343 5 1HG MET 1 2HG MET 1 -18.282 12.423 7.616 6 2HG MET 1 3HG MET 1 -17.751 13.351 9.019 7 1HE MET 1 1HE MET 1 -14.681 13.620 6.662 8 2HE MET 1 2HE MET 1 -16.391 13.563 6.175 9 3HE MET 1 3HE MET 1 -15.902 14.506 7.605 10 H ALA 2 H ALA 2 -16.950 9.012 10.505 11 HA ALA 2 HA ALA 2 -14.643 8.321 9.035 12 1HB ALA 2 1HB ALA 2 -15.875 6.902 11.442 13 2HB ALA 2 2HB ALA 2 -14.205 6.714 10.861 14 3HB ALA 2 3HB ALA 2 -14.751 8.280 11.495 15 H SER 3 H SER 3 -17.619 6.374 9.690 16 HA SER 3 HA SER 3 -17.067 4.069 8.311 17 1HB SER 3 2HB SER 3 -19.733 5.533 8.196 18 2HB SER 3 3HB SER 3 -19.431 3.787 8.261 19 HG SER 3 HG SER 3 -19.998 4.651 10.330 20 H VAL 4 H VAL 4 -18.207 7.219 6.963 21 HA VAL 4 HA VAL 4 -18.595 6.178 4.300 22 HB VAL 4 HB VAL 4 -18.229 9.073 5.177 23 1HG1 VAL 4 1HG1 VAL 4 -17.900 8.758 2.760 24 2HG1 VAL 4 2HG1 VAL 4 -19.399 7.809 2.659 25 3HG1 VAL 4 3HG1 VAL 4 -19.454 9.534 3.061 26 1HG2 VAL 4 1HG2 VAL 4 -20.146 8.059 6.365 27 2HG2 VAL 4 2HG2 VAL 4 -20.714 9.152 5.099 28 3HG2 VAL 4 3HG2 VAL 4 -20.757 7.396 4.834 29 H LEU 5 H LEU 5 -15.962 7.985 5.979 30 HA LEU 5 HA LEU 5 -14.197 8.134 3.748 31 1HB LEU 5 2HB LEU 5 -13.421 7.704 6.662 32 2HB LEU 5 3HB LEU 5 -12.364 8.254 5.363 33 HG LEU 5 HG LEU 5 -14.769 9.769 6.470 34 1HD1 LEU 5 1HD1 LEU 5 -13.051 11.322 7.317 35 2HD1 LEU 5 2HD1 LEU 5 -12.810 9.695 7.976 36 3HD1 LEU 5 3HD1 LEU 5 -11.771 10.283 6.661 37 1HD2 LEU 5 1HD2 LEU 5 -14.549 10.328 4.102 38 2HD2 LEU 5 2HD2 LEU 5 -13.904 11.658 5.066 39 3HD2 LEU 5 3HD2 LEU 5 -12.787 10.523 4.280 40 H GLU 6 H GLU 6 -14.567 5.495 6.167 41 HA GLU 6 HA GLU 6 -12.650 3.785 4.937 42 1HB GLU 6 2HB GLU 6 -15.074 3.167 6.676 43 2HB GLU 6 3HB GLU 6 -13.927 1.938 6.137 44 1HG GLU 6 2HG GLU 6 -13.203 4.400 7.795 45 2HG GLU 6 3HG GLU 6 -13.388 2.754 8.411 46 H GLU 7 H GLU 7 -16.194 4.041 4.338 47 HA GLU 7 HA GLU 7 -16.339 1.963 2.408 48 1HB GLU 7 2HB GLU 7 -17.897 4.560 2.665 49 2HB GLU 7 3HB GLU 7 -18.294 3.297 1.499 50 1HG GLU 7 2HG GLU 7 -18.823 1.708 3.185 51 2HG GLU 7 3HG GLU 7 -18.072 2.655 4.465 52 H LEU 8 H LEU 8 -15.570 5.458 1.945 53 HA LEU 8 HA LEU 8 -15.141 5.243 -0.883 54 1HB LEU 8 2HB LEU 8 -13.972 7.194 1.139 55 2HB LEU 8 3HB LEU 8 -13.846 7.352 -0.614 56 HG LEU 8 HG LEU 8 -16.442 7.414 0.990 57 1HD1 LEU 8 1HD1 LEU 8 -16.498 9.773 0.344 58 2HD1 LEU 8 2HD1 LEU 8 -14.997 9.423 1.220 59 3HD1 LEU 8 3HD1 LEU 8 -14.976 9.590 -0.550 60 1HD2 LEU 8 1HD2 LEU 8 -15.966 7.661 -2.000 61 2HD2 LEU 8 2HD2 LEU 8 -16.975 6.456 -1.166 62 3HD2 LEU 8 3HD2 LEU 8 -17.463 8.150 -1.179 63 H GLN 9 H GLN 9 -12.868 4.877 1.874 64 HA GLN 9 HA GLN 9 -10.549 4.446 0.306 65 1HB GLN 9 2HB GLN 9 -10.600 4.903 2.738 66 2HB GLN 9 3HB GLN 9 -11.248 3.279 3.028 67 1HG GLN 9 2HG GLN 9 -9.191 2.262 2.151 68 2HG GLN 9 3HG GLN 9 -8.588 3.852 1.651 69 1HE2 GLN 9 1HE2 GLN 9 -10.048 2.504 4.721 70 2HE2 GLN 9 2HE2 GLN 9 -8.776 3.147 5.727 71 H LYS 10 H LYS 10 -13.020 2.122 1.484 72 HA LYS 10 HA LYS 10 -11.818 -0.217 0.413 73 1HB LYS 10 2HB LYS 10 -13.566 -0.280 2.082 74 2HB LYS 10 3HB LYS 10 -14.721 0.493 0.999 75 1HG LYS 10 2HG LYS 10 -15.079 -1.933 1.279 76 2HG LYS 10 3HG LYS 10 -14.867 -1.437 -0.401 77 1HD LYS 10 2HD LYS 10 -12.580 -2.280 -0.432 78 2HD LYS 10 3HD LYS 10 -12.616 -2.602 1.316 79 1HE LYS 10 2HE LYS 10 -14.245 -4.367 1.027 80 2HE LYS 10 3HE LYS 10 -14.543 -3.907 -0.660 81 1HZ LYS 10 1HZ LYS 10 -12.344 -4.534 -1.206 82 2HZ LYS 10 2HZ LYS 10 -11.999 -4.952 0.356 83 3HZ LYS 10 3HZ LYS 10 -13.123 -5.804 -0.501 84 H ASP 11 H ASP 11 -14.253 2.043 -1.004 85 HA ASP 11 HA ASP 11 -14.439 0.802 -3.521 86 1HB ASP 11 2HB ASP 11 -15.872 2.674 -2.650 87 2HB ASP 11 3HB ASP 11 -14.544 3.799 -2.966 88 H LEU 12 H LEU 12 -12.114 3.302 -2.417 89 HA LEU 12 HA LEU 12 -10.584 3.615 -4.709 90 1HB LEU 12 2HB LEU 12 -10.398 4.913 -2.571 91 2HB LEU 12 3HB LEU 12 -9.471 3.560 -1.923 92 HG LEU 12 HG LEU 12 -8.059 3.876 -4.193 93 1HD1 LEU 12 1HD1 LEU 12 -7.847 6.249 -4.776 94 2HD1 LEU 12 2HD1 LEU 12 -9.504 5.699 -5.076 95 3HD1 LEU 12 3HD1 LEU 12 -9.140 6.675 -3.637 96 1HD2 LEU 12 1HD2 LEU 12 -7.209 3.935 -1.923 97 2HD2 LEU 12 2HD2 LEU 12 -6.509 5.245 -2.896 98 3HD2 LEU 12 3HD2 LEU 12 -7.797 5.600 -1.712 99 H GLU 13 H GLU 13 -10.240 1.192 -2.057 100 HA GLU 13 HA GLU 13 -8.050 -0.222 -3.046 101 1HB GLU 13 2HB GLU 13 -9.118 -0.537 -0.803 102 2HB GLU 13 3HB GLU 13 -10.379 -1.500 -1.588 103 1HG GLU 13 2HG GLU 13 -8.693 -2.962 -0.644 104 2HG GLU 13 3HG GLU 13 -8.713 -3.108 -2.405 105 H GLU 14 H GLU 14 -11.553 -0.742 -3.723 106 HA GLU 14 HA GLU 14 -11.192 -2.857 -5.589 107 1HB GLU 14 2HB GLU 14 -13.412 -0.824 -5.248 108 2HB GLU 14 3HB GLU 14 -13.351 -1.866 -6.667 109 1HG GLU 14 2HG GLU 14 -14.734 -2.937 -5.055 110 2HG GLU 14 3HG GLU 14 -13.257 -3.886 -5.221 111 H VAL 15 H VAL 15 -11.187 0.743 -6.274 112 HA VAL 15 HA VAL 15 -10.880 0.125 -9.088 113 HB VAL 15 HB VAL 15 -11.790 2.193 -8.704 114 1HG1 VAL 15 1HG1 VAL 15 -9.247 3.038 -7.242 115 2HG1 VAL 15 2HG1 VAL 15 -10.602 4.104 -7.685 116 3HG1 VAL 15 3HG1 VAL 15 -10.873 2.768 -6.564 117 1HG2 VAL 15 1HG2 VAL 15 -10.483 3.612 -10.126 118 2HG2 VAL 15 2HG2 VAL 15 -8.991 2.725 -9.768 119 3HG2 VAL 15 3HG2 VAL 15 -10.293 1.940 -10.685 120 H LYS 16 H LYS 16 -8.399 0.829 -6.528 121 HA LYS 16 HA LYS 16 -6.292 0.730 -8.480 122 1HB LYS 16 2HB LYS 16 -4.697 0.468 -6.751 123 2HB LYS 16 3HB LYS 16 -5.907 1.688 -6.322 124 1HG LYS 16 2HG LYS 16 -7.041 0.015 -4.903 125 2HG LYS 16 3HG LYS 16 -5.798 -1.184 -5.277 126 1HD LYS 16 2HD LYS 16 -5.230 -0.315 -3.164 127 2HD LYS 16 3HD LYS 16 -4.076 0.398 -4.299 128 1HE LYS 16 2HE LYS 16 -5.338 2.524 -4.277 129 2HE LYS 16 3HE LYS 16 -6.621 1.782 -3.302 130 1HZ LYS 16 1HZ LYS 16 -3.840 2.168 -2.452 131 2HZ LYS 16 2HZ LYS 16 -5.135 3.070 -1.975 132 3HZ LYS 16 3HZ LYS 16 -5.037 1.482 -1.550 133 H VAL 17 H VAL 17 -7.816 -1.908 -6.567 134 HA VAL 17 HA VAL 17 -6.171 -4.024 -7.511 135 HB VAL 17 HB VAL 17 -9.044 -3.873 -6.540 136 1HG1 VAL 17 1HG1 VAL 17 -9.045 -5.809 -8.016 137 2HG1 VAL 17 2HG1 VAL 17 -7.502 -6.366 -7.326 138 3HG1 VAL 17 3HG1 VAL 17 -8.977 -6.360 -6.339 139 1HG2 VAL 17 1HG2 VAL 17 -6.537 -5.141 -5.341 140 2HG2 VAL 17 2HG2 VAL 17 -7.106 -3.518 -4.934 141 3HG2 VAL 17 3HG2 VAL 17 -8.111 -4.923 -4.548 142 H LEU 18 H LEU 18 -9.280 -2.795 -8.869 143 HA LEU 18 HA LEU 18 -9.278 -4.542 -11.121 144 1HB LEU 18 2HB LEU 18 -10.529 -1.812 -10.667 145 2HB LEU 18 3HB LEU 18 -10.846 -2.783 -12.106 146 HG LEU 18 HG LEU 18 -11.351 -3.850 -9.292 147 1HD1 LEU 18 1HD1 LEU 18 -13.292 -2.458 -11.180 148 2HD1 LEU 18 2HD1 LEU 18 -13.713 -3.266 -9.652 149 3HD1 LEU 18 3HD1 LEU 18 -12.692 -1.817 -9.633 150 1HD2 LEU 18 1HD2 LEU 18 -12.351 -4.696 -12.052 151 2HD2 LEU 18 2HD2 LEU 18 -11.217 -5.601 -11.028 152 3HD2 LEU 18 3HD2 LEU 18 -12.889 -5.385 -10.508 153 H LEU 19 H LEU 19 -7.903 -1.289 -10.698 154 HA LEU 19 HA LEU 19 -7.077 -0.792 -13.332 155 1HB LEU 19 2HB LEU 19 -7.135 0.904 -11.684 156 2HB LEU 19 3HB LEU 19 -5.948 0.094 -10.670 157 HG LEU 19 HG LEU 19 -4.958 0.663 -13.414 158 1HD1 LEU 19 1HD1 LEU 19 -4.641 3.074 -12.989 159 2HD1 LEU 19 2HD1 LEU 19 -6.364 2.671 -13.083 160 3HD1 LEU 19 3HD1 LEU 19 -5.603 2.950 -11.500 161 1HD2 LEU 19 1HD2 LEU 19 -3.513 -0.164 -11.571 162 2HD2 LEU 19 2HD2 LEU 19 -2.995 1.427 -12.146 163 3HD2 LEU 19 3HD2 LEU 19 -3.898 1.287 -10.623 164 H GLU 20 H GLU 20 -5.267 -2.347 -10.628 165 HA GLU 20 HA GLU 20 -2.974 -3.041 -12.181 166 1HB GLU 20 2HB GLU 20 -4.201 -4.322 -9.701 167 2HB GLU 20 3HB GLU 20 -2.637 -4.789 -10.376 168 1HG GLU 20 2HG GLU 20 -3.314 -1.954 -9.444 169 2HG GLU 20 3HG GLU 20 -2.487 -3.168 -8.465 170 H LYS 21 H LYS 21 -5.894 -4.999 -11.384 171 HA LYS 21 HA LYS 21 -4.911 -7.273 -12.872 172 1HB LYS 21 2HB LYS 21 -7.623 -6.607 -11.662 173 2HB LYS 21 3HB LYS 21 -7.246 -8.144 -12.463 174 1HG LYS 21 2HG LYS 21 -5.441 -8.590 -10.883 175 2HG LYS 21 3HG LYS 21 -5.714 -7.030 -10.076 176 1HD LYS 21 2HD LYS 21 -7.901 -7.702 -9.310 177 2HD LYS 21 3HD LYS 21 -7.911 -9.127 -10.353 178 1HE LYS 21 2HE LYS 21 -7.465 -9.734 -7.990 179 2HE LYS 21 3HE LYS 21 -6.155 -10.209 -9.081 180 1HZ LYS 21 1HZ LYS 21 -6.150 -7.831 -7.359 181 2HZ LYS 21 2HZ LYS 21 -5.326 -9.228 -7.087 182 3HZ LYS 21 3HZ LYS 21 -4.938 -8.285 -8.378 183 H SER 22 H SER 22 -7.821 -5.243 -13.532 184 HA SER 22 HA SER 22 -8.039 -6.521 -16.208 185 1HB SER 22 2HB SER 22 -9.868 -4.841 -14.465 186 2HB SER 22 3HB SER 22 -10.169 -5.016 -16.194 187 HG SER 22 HG SER 22 -9.877 -7.174 -14.383 188 H THR 23 H THR 23 -5.854 -5.363 -16.479 189 HA THR 23 HA THR 23 -5.841 -2.534 -16.971 190 HB THR 23 HB THR 23 -3.876 -3.672 -16.215 191 HG1 THR 23 HG1 THR 23 -3.664 -2.647 -18.839 192 1HG2 THR 23 1HG2 THR 23 -4.073 -5.887 -17.261 193 2HG2 THR 23 2HG2 THR 23 -3.887 -5.171 -18.877 194 3HG2 THR 23 3HG2 THR 23 -2.547 -5.127 -17.716 195 H ARG 24 H ARG 24 -7.985 -3.317 -18.360 196 HA ARG 24 HA ARG 24 -7.324 -3.080 -21.247 197 1HB ARG 24 2HB ARG 24 -9.993 -3.481 -19.835 198 2HB ARG 24 3HB ARG 24 -9.715 -3.511 -21.582 199 1HG ARG 24 2HG ARG 24 -8.269 -5.502 -21.323 200 2HG ARG 24 3HG ARG 24 -8.532 -5.493 -19.576 201 1HD ARG 24 2HD ARG 24 -10.688 -5.856 -21.695 202 2HD ARG 24 3HD ARG 24 -9.997 -7.144 -20.718 203 HE ARG 24 HE ARG 24 -12.061 -5.263 -19.977 204 1HH1 ARG 24 2HH2 ARG 24 -9.455 -7.247 -18.586 205 2HH1 ARG 24 1HH2 ARG 24 -10.179 -7.246 -16.982 206 1HH2 ARG 24 1HH1 ARG 24 -13.057 -5.483 -17.919 207 2HH2 ARG 24 2HH1 ARG 24 -12.234 -6.363 -16.651 208 H LYS 25 H LYS 25 -9.078 -1.430 -22.229 209 HA LYS 25 HA LYS 25 -8.468 1.186 -21.499 210 1HB LYS 25 2HB LYS 25 -10.891 -0.014 -22.898 211 2HB LYS 25 3HB LYS 25 -10.695 1.732 -22.675 212 1HG LYS 25 2HG LYS 25 -8.588 1.745 -23.847 213 2HG LYS 25 3HG LYS 25 -8.631 -0.022 -24.055 214 1HD LYS 25 2HD LYS 25 -10.708 0.186 -25.415 215 2HD LYS 25 3HD LYS 25 -10.722 1.934 -25.136 216 1HE LYS 25 2HE LYS 25 -9.839 1.469 -27.357 217 2HE LYS 25 3HE LYS 25 -8.565 2.165 -26.345 218 1HZ LYS 25 1HZ LYS 25 -7.806 0.298 -27.627 219 2HZ LYS 25 2HZ LYS 25 -7.710 -0.042 -26.019 220 3HZ LYS 25 3HZ LYS 25 -8.919 -0.696 -26.929 221 H ARG 26 H ARG 26 -10.826 -0.937 -19.980 222 HA ARG 26 HA ARG 26 -12.545 0.982 -18.909 223 1HB ARG 26 2HB ARG 26 -13.306 -0.656 -17.346 224 2HB ARG 26 3HB ARG 26 -13.070 -1.346 -18.931 225 1HG ARG 26 2HG ARG 26 -12.339 -2.994 -17.458 226 2HG ARG 26 3HG ARG 26 -10.853 -2.319 -18.127 227 1HD ARG 26 2HD ARG 26 -10.775 -2.799 -15.647 228 2HD ARG 26 3HD ARG 26 -10.362 -1.177 -16.086 229 HE ARG 26 HE ARG 26 -12.248 -0.326 -15.067 230 1HH1 ARG 26 2HH1 ARG 26 -12.497 -3.859 -15.110 231 2HH1 ARG 26 1HH1 ARG 26 -13.908 -3.884 -14.085 232 1HH2 ARG 26 2HH2 ARG 26 -14.062 -0.331 -13.910 233 2HH2 ARG 26 1HH2 ARG 26 -14.824 -1.807 -13.333 234 H LEU 27 H LEU 27 -9.251 0.314 -17.933 235 HA LEU 27 HA LEU 27 -9.126 1.465 -15.367 236 1HB LEU 27 2HB LEU 27 -7.301 1.429 -17.785 237 2HB LEU 27 3HB LEU 27 -6.927 2.523 -16.445 238 HG LEU 27 HG LEU 27 -6.656 0.876 -14.874 239 1HD1 LEU 27 1HD1 LEU 27 -8.435 -0.665 -15.267 240 2HD1 LEU 27 2HD1 LEU 27 -6.948 -1.576 -15.404 241 3HD1 LEU 27 3HD1 LEU 27 -7.802 -1.079 -16.880 242 1HD2 LEU 27 1HD2 LEU 27 -5.403 -0.098 -17.481 243 2HD2 LEU 27 2HD2 LEU 27 -4.773 1.205 -16.450 244 3HD2 LEU 27 3HD2 LEU 27 -4.812 -0.459 -15.846 245 H ARG 28 H ARG 28 -9.242 3.174 -18.554 246 HA ARG 28 HA ARG 28 -8.837 5.749 -17.351 247 1HB ARG 28 2HB ARG 28 -8.407 5.314 -19.728 248 2HB ARG 28 3HB ARG 28 -10.116 4.979 -20.013 249 1HG ARG 28 2HG ARG 28 -9.495 7.198 -20.778 250 2HG ARG 28 3HG ARG 28 -10.701 7.329 -19.498 251 1HD ARG 28 2HD ARG 28 -9.068 8.129 -17.912 252 2HD ARG 28 3HD ARG 28 -7.733 7.534 -18.894 253 HE ARG 28 HE ARG 28 -7.923 9.253 -20.417 254 1HH1 ARG 28 1HH2 ARG 28 -10.251 9.821 -17.720 255 2HH1 ARG 28 2HH2 ARG 28 -10.462 11.478 -18.174 256 1HH2 ARG 28 2HH1 ARG 28 -8.254 11.399 -20.918 257 2HH2 ARG 28 1HH1 ARG 28 -9.334 12.389 -19.977 258 H ASP 29 H ASP 29 -11.779 4.199 -18.680 259 HA ASP 29 HA ASP 29 -13.657 6.111 -17.915 260 1HB ASP 29 2HB ASP 29 -14.069 3.082 -17.958 261 2HB ASP 29 3HB ASP 29 -15.326 4.319 -18.077 262 H THR 30 H THR 30 -12.703 3.186 -16.116 263 HA THR 30 HA THR 30 -14.383 3.557 -13.874 264 HB THR 30 HB THR 30 -11.744 2.034 -14.107 265 HG1 THR 30 HG1 THR 30 -13.199 1.340 -15.587 266 1HG2 THR 30 1HG2 THR 30 -12.463 2.320 -11.731 267 2HG2 THR 30 2HG2 THR 30 -14.061 1.670 -12.153 268 3HG2 THR 30 3HG2 THR 30 -12.611 0.648 -12.293 269 H LEU 31 H LEU 31 -10.857 4.325 -14.291 270 HA LEU 31 HA LEU 31 -10.492 5.379 -11.717 271 1HB LEU 31 2HB LEU 31 -8.700 4.746 -13.279 272 2HB LEU 31 3HB LEU 31 -9.081 6.118 -14.323 273 HG LEU 31 HG LEU 31 -7.073 6.345 -12.909 274 1HD1 LEU 31 1HD1 LEU 31 -8.321 8.357 -13.755 275 2HD1 LEU 31 2HD1 LEU 31 -9.058 8.509 -12.143 276 3HD1 LEU 31 3HD1 LEU 31 -7.309 8.624 -12.326 277 1HD2 LEU 31 1HD2 LEU 31 -7.925 5.183 -10.883 278 2HD2 LEU 31 2HD2 LEU 31 -7.182 6.755 -10.531 279 3HD2 LEU 31 3HD2 LEU 31 -8.945 6.595 -10.522 280 H THR 32 H THR 32 -11.225 7.110 -14.801 281 HA THR 32 HA THR 32 -11.292 9.690 -13.681 282 HB THR 32 HB THR 32 -12.980 8.686 -16.019 283 HG1 THR 32 HG1 THR 32 -10.862 8.136 -16.343 284 1HG2 THR 32 1HG2 THR 32 -13.535 11.002 -15.286 285 2HG2 THR 32 2HG2 THR 32 -11.813 11.436 -15.386 286 3HG2 THR 32 3HG2 THR 32 -12.708 10.991 -16.853 287 H SER 33 H SER 33 -14.069 7.465 -14.293 288 HA SER 33 HA SER 33 -16.031 9.225 -13.252 289 1HB SER 33 2HB SER 33 -16.145 6.177 -13.379 290 2HB SER 33 3HB SER 33 -17.510 7.311 -13.328 291 HG SER 33 HG SER 33 -15.620 6.886 -15.393 292 H GLU 34 H GLU 34 -14.349 6.427 -11.720 293 HA GLU 34 HA GLU 34 -15.869 6.654 -9.315 294 1HB GLU 34 2HB GLU 34 -14.700 4.585 -10.278 295 2HB GLU 34 3HB GLU 34 -13.204 5.225 -9.569 296 1HG GLU 34 2HG GLU 34 -14.399 5.307 -7.340 297 2HG GLU 34 3HG GLU 34 -15.826 4.595 -8.108 298 H LYS 35 H LYS 35 -12.561 7.784 -10.238 299 HA LYS 35 HA LYS 35 -11.806 8.853 -7.727 300 1HB LYS 35 2HB LYS 35 -10.323 8.624 -9.702 301 2HB LYS 35 3HB LYS 35 -11.225 9.923 -10.514 302 1HG LYS 35 2HG LYS 35 -10.506 11.498 -8.699 303 2HG LYS 35 3HG LYS 35 -9.680 10.154 -7.898 304 1HD LYS 35 2HD LYS 35 -8.040 11.449 -9.076 305 2HD LYS 35 3HD LYS 35 -8.197 9.880 -9.883 306 1HE LYS 35 2HE LYS 35 -9.609 10.933 -11.650 307 2HE LYS 35 3HE LYS 35 -9.529 12.484 -10.793 308 1HZ LYS 35 1HZ LYS 35 -7.975 12.352 -12.584 309 2HZ LYS 35 2HZ LYS 35 -7.168 12.471 -11.152 310 3HZ LYS 35 3HZ LYS 35 -7.254 11.020 -11.934 311 H SER 36 H SER 36 -13.597 10.369 -10.481 312 HA SER 36 HA SER 36 -14.058 12.859 -9.261 313 1HB SER 36 2HB SER 36 -15.901 11.376 -11.185 314 2HB SER 36 3HB SER 36 -15.947 13.103 -10.793 315 HG SER 36 HG SER 36 -13.865 11.662 -12.072 316 H LYS 37 H LYS 37 -16.209 9.941 -9.166 317 HA LYS 37 HA LYS 37 -18.146 11.032 -7.426 318 1HB LYS 37 2HB LYS 37 -17.157 8.179 -7.779 319 2HB LYS 37 3HB LYS 37 -18.541 8.598 -6.770 320 1HG LYS 37 2HG LYS 37 -18.378 9.302 -9.736 321 2HG LYS 37 3HG LYS 37 -19.069 7.802 -9.106 322 1HD LYS 37 2HD LYS 37 -20.693 9.126 -7.737 323 2HD LYS 37 3HD LYS 37 -20.071 10.619 -8.469 324 1HE LYS 37 2HE LYS 37 -20.698 9.786 -10.721 325 2HE LYS 37 3HE LYS 37 -21.328 8.294 -9.994 326 1HZ LYS 37 1HZ LYS 37 -23.053 9.871 -10.409 327 2HZ LYS 37 2HZ LYS 37 -22.902 9.618 -8.788 328 3HZ LYS 37 3HZ LYS 37 -22.322 11.005 -9.464 329 H ILE 38 H ILE 38 -15.219 9.132 -6.530 330 HA ILE 38 HA ILE 38 -15.602 9.177 -3.753 331 HB ILE 38 HB ILE 38 -13.075 9.069 -5.434 332 1HG1 ILE 38 2HG1 ILE 38 -14.429 6.919 -3.733 333 2HG1 ILE 38 3HG1 ILE 38 -14.802 7.153 -5.438 334 1HG2 ILE 38 1HG2 ILE 38 -13.344 8.728 -2.416 335 2HG2 ILE 38 2HG2 ILE 38 -11.889 8.336 -3.353 336 3HG2 ILE 38 3HG2 ILE 38 -12.426 9.998 -3.241 337 1HD1 ILE 38 1HD1 ILE 38 -13.193 5.368 -5.226 338 2HD1 ILE 38 2HD1 ILE 38 -12.406 6.750 -6.014 339 3HD1 ILE 38 3HD1 ILE 38 -12.082 6.376 -4.304 340 H GLU 39 H GLU 39 -13.669 11.509 -5.724 341 HA GLU 39 HA GLU 39 -13.107 13.260 -3.541 342 1HB GLU 39 2HB GLU 39 -13.052 13.477 -6.542 343 2HB GLU 39 3HB GLU 39 -13.039 14.975 -5.608 344 1HG GLU 39 2HG GLU 39 -10.750 14.148 -6.130 345 2HG GLU 39 3HG GLU 39 -11.063 14.380 -4.409 346 H THR 40 H THR 40 -15.851 13.268 -5.834 347 HA THR 40 HA THR 40 -17.055 15.669 -4.942 348 HB THR 40 HB THR 40 -18.347 13.146 -6.067 349 HG1 THR 40 HG1 THR 40 -16.820 14.080 -7.412 350 1HG2 THR 40 1HG2 THR 40 -20.081 14.543 -5.047 351 2HG2 THR 40 2HG2 THR 40 -19.431 15.982 -5.869 352 3HG2 THR 40 3HG2 THR 40 -20.144 14.651 -6.812 353 H GLU 41 H GLU 41 -17.663 12.284 -3.830 354 HA GLU 41 HA GLU 41 -19.520 13.058 -1.789 355 1HB GLU 41 2HB GLU 41 -17.758 10.582 -2.104 356 2HB GLU 41 3HB GLU 41 -19.027 10.752 -0.882 357 1HG GLU 41 2HG GLU 41 -19.469 10.860 -3.901 358 2HG GLU 41 3HG GLU 41 -19.825 9.492 -2.843 359 H LEU 42 H LEU 42 -16.022 12.292 -1.627 360 HA LEU 42 HA LEU 42 -15.614 12.632 1.100 361 1HB LEU 42 2HB LEU 42 -13.929 11.770 -0.435 362 2HB LEU 42 3HB LEU 42 -13.829 13.323 -1.267 363 HG LEU 42 HG LEU 42 -12.856 14.370 0.732 364 1HD1 LEU 42 1HD1 LEU 42 -13.873 13.045 2.538 365 2HD1 LEU 42 2HD1 LEU 42 -13.063 11.576 1.945 366 3HD1 LEU 42 3HD1 LEU 42 -12.114 12.911 2.633 367 1HD2 LEU 42 1HD2 LEU 42 -11.403 13.328 -0.964 368 2HD2 LEU 42 2HD2 LEU 42 -10.692 13.206 0.655 369 3HD2 LEU 42 3HD2 LEU 42 -11.466 11.787 -0.084 370 H LYS 43 H LYS 43 -15.442 15.150 -1.476 371 HA LYS 43 HA LYS 43 -15.026 17.344 0.263 372 1HB LYS 43 2HB LYS 43 -14.637 17.486 -2.130 373 2HB LYS 43 3HB LYS 43 -16.341 17.182 -2.479 374 1HG LYS 43 2HG LYS 43 -15.735 19.534 -2.744 375 2HG LYS 43 3HG LYS 43 -16.994 19.333 -1.525 376 1HD LYS 43 2HD LYS 43 -15.377 19.620 0.293 377 2HD LYS 43 3HD LYS 43 -14.024 19.634 -0.847 378 1HE LYS 43 2HE LYS 43 -16.293 21.686 -0.781 379 2HE LYS 43 3HE LYS 43 -14.723 21.891 0.007 380 1HZ LYS 43 1HZ LYS 43 -15.153 21.567 -2.878 381 2HZ LYS 43 2HZ LYS 43 -14.744 22.956 -2.095 382 3HZ LYS 43 3HZ LYS 43 -13.684 21.696 -2.143 383 H ASN 44 H ASN 44 -18.094 16.086 -1.169 384 HA ASN 44 HA ASN 44 -19.925 17.867 -0.059 385 1HB ASN 44 2HB ASN 44 -20.307 15.919 -1.672 386 2HB ASN 44 3HB ASN 44 -20.466 14.882 -0.248 387 1HD2 ASN 44 1HD2 ASN 44 -22.402 15.954 -2.467 388 2HD2 ASN 44 2HD2 ASN 44 -23.728 16.641 -1.532 389 H LYS 45 H LYS 45 -18.762 14.857 1.546 390 HA LYS 45 HA LYS 45 -20.294 15.309 3.885 391 1HB LYS 45 2HB LYS 45 -17.640 13.855 3.738 392 2HB LYS 45 3HB LYS 45 -18.852 13.739 5.021 393 1HG LYS 45 2HG LYS 45 -19.026 12.713 2.187 394 2HG LYS 45 3HG LYS 45 -19.139 11.817 3.695 395 1HD LYS 45 2HD LYS 45 -21.323 12.973 4.189 396 2HD LYS 45 3HD LYS 45 -21.235 13.764 2.602 397 1HE LYS 45 2HE LYS 45 -21.440 10.771 3.091 398 2HE LYS 45 3HE LYS 45 -22.697 11.848 2.469 399 1HZ LYS 45 1HZ LYS 45 -20.154 11.243 1.140 400 2HZ LYS 45 2HZ LYS 45 -21.645 10.707 0.688 401 3HZ LYS 45 3HZ LYS 45 -21.281 12.307 0.584 402 H MET 46 H MET 46 -17.392 17.084 2.973 403 HA MET 46 HA MET 46 -16.690 17.895 5.657 404 1HB MET 46 2HB MET 46 -16.238 19.342 3.021 405 2HB MET 46 3HB MET 46 -15.455 19.699 4.560 406 1HG MET 46 2HG MET 46 -14.377 17.502 4.571 407 2HG MET 46 3HG MET 46 -15.206 17.056 3.075 408 1HE MET 46 1HE MET 46 -13.012 16.285 2.016 409 2HE MET 46 2HE MET 46 -11.540 17.282 1.890 410 3HE MET 46 3HE MET 46 -12.110 16.731 3.485 411 H GLN 47 H GLN 47 -19.035 19.029 3.246 412 HA GLN 47 HA GLN 47 -20.421 20.665 5.207 413 1HB GLN 47 2HB GLN 47 -20.325 22.752 4.101 414 2HB GLN 47 3HB GLN 47 -18.684 22.230 4.455 415 1HG GLN 47 2HG GLN 47 -20.034 22.425 1.734 416 2HG GLN 47 3HG GLN 47 -18.672 23.329 2.364 417 1HE2 GLN 47 1HE2 GLN 47 -19.683 20.118 1.243 418 2HE2 GLN 47 2HE2 GLN 47 -18.045 19.503 0.966 419 H GLN 48 H GLN 48 -22.083 19.244 4.912 420 HA GLN 48 HA GLN 48 -22.601 18.006 2.522 421 1HB GLN 48 2HB GLN 48 -24.629 18.331 4.737 422 2HB GLN 48 3HB GLN 48 -24.662 17.162 3.408 423 1HG GLN 48 2HG GLN 48 -23.625 15.837 4.970 424 2HG GLN 48 3HG GLN 48 -22.200 16.576 4.220 425 1HE2 GLN 48 1HE2 GLN 48 -20.691 17.228 5.880 426 2HE2 GLN 48 2HE2 GLN 48 -21.223 17.899 7.398 427 H LYS 49 H LYS 49 -23.735 18.230 0.742 428 HA LYS 49 HA LYS 49 -25.419 20.629 0.311 429 1HB LYS 49 2HB LYS 49 -23.969 21.154 -1.683 430 2HB LYS 49 3HB LYS 49 -23.257 21.498 -0.100 431 1HG LYS 49 2HG LYS 49 -22.002 19.306 -0.241 432 2HG LYS 49 3HG LYS 49 -22.594 19.128 -1.901 433 1HD LYS 49 2HD LYS 49 -20.886 21.406 -0.777 434 2HD LYS 49 3HD LYS 49 -20.288 20.046 -1.741 435 1HE LYS 49 2HE LYS 49 -21.750 20.777 -3.645 436 2HE LYS 49 3HE LYS 49 -22.254 22.183 -2.694 437 1HZ LYS 49 1HZ LYS 49 -20.550 22.738 -4.168 438 2HZ LYS 49 2HZ LYS 49 -19.982 22.883 -2.623 439 3HZ LYS 49 3HZ LYS 49 -19.519 21.598 -3.554 440 H SER 50 H SER 50 -26.809 20.434 -1.486 441 HA SER 50 HA SER 50 -27.859 17.895 -1.747 442 1HB SER 50 2HB SER 50 -28.326 20.177 -3.697 443 2HB SER 50 3HB SER 50 -29.460 18.914 -3.180 444 HG SER 50 HG SER 50 -29.774 20.919 -2.053 445 H GLN 51 H GLN 51 -25.751 19.647 -4.098 446 HA GLN 51 HA GLN 51 -24.973 17.131 -5.331 447 1HB GLN 51 2HB GLN 51 -25.701 17.800 -7.619 448 2HB GLN 51 3HB GLN 51 -27.052 17.461 -6.540 449 1HG GLN 51 2HG GLN 51 -27.514 19.833 -6.239 450 2HG GLN 51 3HG GLN 51 -26.026 20.281 -7.078 451 1HE2 GLN 51 1HE2 GLN 51 -29.005 18.290 -7.662 452 2HE2 GLN 51 2HE2 GLN 51 -29.177 18.818 -9.328 453 H LYS 52 H LYS 52 -23.566 17.813 -7.397 454 HA LYS 52 HA LYS 52 -21.421 19.361 -6.256 455 1HB LYS 52 2HB LYS 52 -21.248 17.224 -7.560 456 2HB LYS 52 3HB LYS 52 -21.620 18.129 -9.033 457 1HG LYS 52 2HG LYS 52 -19.580 19.500 -8.707 458 2HG LYS 52 3HG LYS 52 -19.293 18.713 -7.138 459 1HD LYS 52 2HD LYS 52 -19.137 16.501 -8.323 460 2HD LYS 52 3HD LYS 52 -19.274 17.351 -9.872 461 1HE LYS 52 2HE LYS 52 -17.179 18.559 -9.427 462 2HE LYS 52 3HE LYS 52 -17.106 17.889 -7.783 463 1HZ LYS 52 1HZ LYS 52 -15.692 16.692 -9.250 464 2HZ LYS 52 2HZ LYS 52 -16.915 15.727 -8.699 465 3HZ LYS 52 3HZ LYS 52 -16.952 16.310 -10.244 466 H LYS 53 H LYS 53 -22.914 21.293 -6.123 467 HA LYS 53 HA LYS 53 -22.281 23.169 -8.359 468 1HB LYS 53 2HB LYS 53 -24.880 22.933 -6.763 469 2HB LYS 53 3HB LYS 53 -24.489 24.310 -7.787 470 1HG LYS 53 2HG LYS 53 -24.811 21.435 -8.745 471 2HG LYS 53 3HG LYS 53 -26.025 22.714 -8.865 472 1HD LYS 53 2HD LYS 53 -24.353 24.051 -10.252 473 2HD LYS 53 3HD LYS 53 -23.328 22.603 -10.289 474 1HE LYS 53 2HE LYS 53 -26.175 22.837 -11.364 475 2HE LYS 53 3HE LYS 53 -24.682 22.730 -12.313 476 1HZ LYS 53 1HZ LYS 53 -24.334 20.549 -11.310 477 2HZ LYS 53 2HZ LYS 53 -25.804 20.657 -10.564 478 3HZ LYS 53 3HZ LYS 53 -25.716 20.628 -12.207 479 HA PRO 54 HA PRO 54 -20.550 25.375 -4.938 480 1HB PRO 54 2HB PRO 54 -20.632 27.983 -5.769 481 2HB PRO 54 3HB PRO 54 -19.624 26.743 -6.554 482 1HG PRO 54 2HG PRO 54 -22.400 27.631 -7.409 483 2HG PRO 54 3HG PRO 54 -20.923 27.543 -8.424 484 1HD PRO 54 2HD PRO 54 -22.722 25.561 -8.420 485 2HD PRO 54 3HD PRO 54 -20.977 25.185 -8.434 486 H GLU 55 H GLU 55 -22.729 24.475 -3.932 487 HA GLU 55 HA GLU 55 -24.832 26.360 -3.342 488 1HB GLU 55 2HB GLU 55 -24.002 23.775 -1.948 489 2HB GLU 55 3HB GLU 55 -25.504 24.662 -1.668 490 1HG GLU 55 2HG GLU 55 -26.187 24.323 -4.020 491 2HG GLU 55 3HG GLU 55 -24.669 23.478 -4.361 Start of MODEL 5 1 1H MET 1 H MET 1 -18.917 11.280 10.693 2 HA MET 1 HA MET 1 -18.835 10.205 8.432 3 1HB MET 1 2HB MET 1 -18.183 12.588 8.806 4 2HB MET 1 3HB MET 1 -16.500 12.072 9.018 5 1HG MET 1 2HG MET 1 -16.420 11.294 6.696 6 2HG MET 1 3HG MET 1 -18.162 11.526 6.521 7 1HE MET 1 1HE MET 1 -14.688 13.318 6.957 8 2HE MET 1 2HE MET 1 -15.158 15.027 6.798 9 3HE MET 1 3HE MET 1 -15.653 14.108 8.232 10 H ALA 2 H ALA 2 -16.430 9.330 10.700 11 HA ALA 2 HA ALA 2 -14.284 8.300 9.342 12 1HB ALA 2 1HB ALA 2 -15.772 6.971 11.649 13 2HB ALA 2 2HB ALA 2 -14.108 6.612 11.143 14 3HB ALA 2 3HB ALA 2 -14.512 8.219 11.781 15 H SER 3 H SER 3 -17.341 6.432 9.928 16 HA SER 3 HA SER 3 -16.756 4.167 8.490 17 1HB SER 3 2HB SER 3 -19.477 5.524 8.529 18 2HB SER 3 3HB SER 3 -19.113 3.787 8.548 19 HG SER 3 HG SER 3 -18.159 4.134 10.632 20 H VAL 4 H VAL 4 -17.864 7.334 7.214 21 HA VAL 4 HA VAL 4 -18.431 6.324 4.550 22 HB VAL 4 HB VAL 4 -17.937 9.191 5.462 23 1HG1 VAL 4 1HG1 VAL 4 -17.703 8.904 3.033 24 2HG1 VAL 4 2HG1 VAL 4 -19.259 8.047 2.970 25 3HG1 VAL 4 3HG1 VAL 4 -19.194 9.760 3.433 26 1HG2 VAL 4 1HG2 VAL 4 -19.849 8.230 6.702 27 2HG2 VAL 4 2HG2 VAL 4 -20.415 9.369 5.478 28 3HG2 VAL 4 3HG2 VAL 4 -20.539 7.623 5.181 29 H LEU 5 H LEU 5 -15.726 8.057 6.177 30 HA LEU 5 HA LEU 5 -14.013 8.191 3.894 31 1HB LEU 5 2HB LEU 5 -13.154 7.820 6.792 32 2HB LEU 5 3HB LEU 5 -12.161 8.401 5.456 33 HG LEU 5 HG LEU 5 -14.567 9.822 6.669 34 1HD1 LEU 5 1HD1 LEU 5 -12.902 11.457 7.419 35 2HD1 LEU 5 2HD1 LEU 5 -12.530 9.846 8.056 36 3HD1 LEU 5 3HD1 LEU 5 -11.601 10.495 6.687 37 1HD2 LEU 5 1HD2 LEU 5 -12.762 10.645 4.353 38 2HD2 LEU 5 2HD2 LEU 5 -14.519 10.366 4.289 39 3HD2 LEU 5 3HD2 LEU 5 -13.878 11.737 5.198 40 H GLU 6 H GLU 6 -14.370 5.622 6.361 41 HA GLU 6 HA GLU 6 -12.466 3.811 5.306 42 1HB GLU 6 2HB GLU 6 -15.059 3.325 6.821 43 2HB GLU 6 3HB GLU 6 -13.882 2.062 6.455 44 1HG GLU 6 2HG GLU 6 -12.169 3.115 7.767 45 2HG GLU 6 3HG GLU 6 -13.105 4.597 7.962 46 H GLU 7 H GLU 7 -16.017 4.038 4.576 47 HA GLU 7 HA GLU 7 -15.998 2.007 2.594 48 1HB GLU 7 2HB GLU 7 -17.749 4.475 2.914 49 2HB GLU 7 3HB GLU 7 -18.016 3.261 1.662 50 1HG GLU 7 2HG GLU 7 -17.982 2.655 4.655 51 2HG GLU 7 3HG GLU 7 -19.433 2.894 3.678 52 H LEU 8 H LEU 8 -15.357 5.537 2.188 53 HA LEU 8 HA LEU 8 -14.960 5.353 -0.646 54 1HB LEU 8 2HB LEU 8 -13.815 7.306 1.383 55 2HB LEU 8 3HB LEU 8 -13.679 7.488 -0.367 56 HG LEU 8 HG LEU 8 -16.300 7.452 1.196 57 1HD1 LEU 8 1HD1 LEU 8 -14.914 9.486 1.518 58 2HD1 LEU 8 2HD1 LEU 8 -14.839 9.693 -0.247 59 3HD1 LEU 8 3HD1 LEU 8 -16.393 9.830 0.604 60 1HD2 LEU 8 1HD2 LEU 8 -17.275 8.236 -0.979 61 2HD2 LEU 8 2HD2 LEU 8 -15.754 7.786 -1.776 62 3HD2 LEU 8 3HD2 LEU 8 -16.772 6.551 -0.999 63 H GLN 9 H GLN 9 -12.635 4.987 2.065 64 HA GLN 9 HA GLN 9 -10.343 4.599 0.450 65 1HB GLN 9 2HB GLN 9 -10.408 4.958 2.919 66 2HB GLN 9 3HB GLN 9 -10.895 3.279 3.152 67 1HG GLN 9 2HG GLN 9 -8.375 3.938 1.572 68 2HG GLN 9 3HG GLN 9 -8.381 4.063 3.326 69 1HE2 GLN 9 1HE2 GLN 9 -8.942 1.681 0.672 70 2HE2 GLN 9 2HE2 GLN 9 -8.394 0.314 1.632 71 H LYS 10 H LYS 10 -12.751 2.232 1.681 72 HA LYS 10 HA LYS 10 -11.590 -0.087 0.545 73 1HB LYS 10 2HB LYS 10 -13.472 -0.006 2.213 74 2HB LYS 10 3HB LYS 10 -14.537 0.533 0.909 75 1HG LYS 10 2HG LYS 10 -13.541 -1.704 -0.277 76 2HG LYS 10 3HG LYS 10 -13.332 -2.180 1.410 77 1HD LYS 10 2HD LYS 10 -15.893 -1.165 0.088 78 2HD LYS 10 3HD LYS 10 -15.521 -2.864 0.407 79 1HE LYS 10 2HE LYS 10 -15.461 -2.418 2.854 80 2HE LYS 10 3HE LYS 10 -15.817 -0.707 2.567 81 1HZ LYS 10 1HZ LYS 10 -17.888 -1.324 1.617 82 2HZ LYS 10 2HZ LYS 10 -17.587 -2.931 1.858 83 3HZ LYS 10 3HZ LYS 10 -17.758 -1.909 3.145 84 H ASP 11 H ASP 11 -14.113 2.118 -0.790 85 HA ASP 11 HA ASP 11 -14.465 0.883 -3.277 86 1HB ASP 11 2HB ASP 11 -15.869 2.733 -2.380 87 2HB ASP 11 3HB ASP 11 -14.548 3.870 -2.666 88 H LEU 12 H LEU 12 -12.169 3.492 -2.407 89 HA LEU 12 HA LEU 12 -10.769 3.772 -4.807 90 1HB LEU 12 2HB LEU 12 -10.561 5.200 -2.865 91 2HB LEU 12 3HB LEU 12 -9.679 3.960 -1.982 92 HG LEU 12 HG LEU 12 -8.639 4.951 -4.645 93 1HD1 LEU 12 1HD1 LEU 12 -7.345 6.661 -3.411 94 2HD1 LEU 12 2HD1 LEU 12 -9.085 6.954 -3.288 95 3HD1 LEU 12 3HD1 LEU 12 -8.210 6.238 -1.917 96 1HD2 LEU 12 1HD2 LEU 12 -7.346 3.791 -2.119 97 2HD2 LEU 12 2HD2 LEU 12 -7.420 3.016 -3.714 98 3HD2 LEU 12 3HD2 LEU 12 -6.433 4.455 -3.479 99 H GLU 13 H GLU 13 -10.179 1.474 -2.084 100 HA GLU 13 HA GLU 13 -7.886 0.244 -3.180 101 1HB GLU 13 2HB GLU 13 -8.851 0.111 -0.835 102 2HB GLU 13 3HB GLU 13 -9.955 -1.140 -1.420 103 1HG GLU 13 2HG GLU 13 -8.017 -2.541 -2.056 104 2HG GLU 13 3HG GLU 13 -6.909 -1.261 -1.526 105 H GLU 14 H GLU 14 -11.348 -0.650 -3.457 106 HA GLU 14 HA GLU 14 -11.026 -2.939 -5.094 107 1HB GLU 14 2HB GLU 14 -13.316 -0.942 -4.917 108 2HB GLU 14 3HB GLU 14 -13.385 -2.463 -5.814 109 1HG GLU 14 2HG GLU 14 -13.025 -3.769 -3.802 110 2HG GLU 14 3HG GLU 14 -12.732 -2.323 -2.835 111 H VAL 15 H VAL 15 -11.614 0.507 -6.151 112 HA VAL 15 HA VAL 15 -11.439 -0.273 -8.894 113 HB VAL 15 HB VAL 15 -12.571 1.731 -8.379 114 1HG1 VAL 15 1HG1 VAL 15 -11.329 2.660 -6.553 115 2HG1 VAL 15 2HG1 VAL 15 -9.884 2.917 -7.557 116 3HG1 VAL 15 3HG1 VAL 15 -11.360 3.850 -7.853 117 1HG2 VAL 15 1HG2 VAL 15 -11.754 3.095 -10.187 118 2HG2 VAL 15 2HG2 VAL 15 -10.119 2.428 -10.050 119 3HG2 VAL 15 3HG2 VAL 15 -11.449 1.395 -10.610 120 H LYS 16 H LYS 16 -8.846 0.796 -6.643 121 HA LYS 16 HA LYS 16 -6.775 0.812 -8.647 122 1HB LYS 16 2HB LYS 16 -6.848 0.602 -5.651 123 2HB LYS 16 3HB LYS 16 -5.381 0.086 -6.485 124 1HG LYS 16 2HG LYS 16 -5.292 2.446 -5.798 125 2HG LYS 16 3HG LYS 16 -5.059 2.206 -7.537 126 1HD LYS 16 2HD LYS 16 -7.320 2.997 -8.031 127 2HD LYS 16 3HD LYS 16 -7.743 2.948 -6.315 128 1HE LYS 16 2HE LYS 16 -7.397 5.221 -6.948 129 2HE LYS 16 3HE LYS 16 -6.147 4.715 -5.805 130 1HZ LYS 16 1HZ LYS 16 -5.829 4.891 -8.729 131 2HZ LYS 16 2HZ LYS 16 -5.232 5.967 -7.631 132 3HZ LYS 16 3HZ LYS 16 -4.658 4.423 -7.667 133 H VAL 17 H VAL 17 -7.923 -1.821 -6.506 134 HA VAL 17 HA VAL 17 -6.265 -3.868 -7.533 135 HB VAL 17 HB VAL 17 -9.057 -3.907 -6.353 136 1HG1 VAL 17 1HG1 VAL 17 -7.405 -6.283 -7.261 137 2HG1 VAL 17 2HG1 VAL 17 -8.778 -6.386 -6.138 138 3HG1 VAL 17 3HG1 VAL 17 -9.044 -5.855 -7.803 139 1HG2 VAL 17 1HG2 VAL 17 -7.896 -4.861 -4.436 140 2HG2 VAL 17 2HG2 VAL 17 -6.376 -4.959 -5.349 141 3HG2 VAL 17 3HG2 VAL 17 -7.044 -3.381 -4.909 142 H LEU 18 H LEU 18 -9.485 -2.818 -8.797 143 HA LEU 18 HA LEU 18 -9.392 -4.558 -11.079 144 1HB LEU 18 2HB LEU 18 -10.785 -1.883 -10.698 145 2HB LEU 18 3HB LEU 18 -11.033 -2.949 -12.082 146 HG LEU 18 HG LEU 18 -11.631 -3.723 -9.189 147 1HD1 LEU 18 1HD1 LEU 18 -13.987 -3.472 -9.868 148 2HD1 LEU 18 2HD1 LEU 18 -13.114 -1.938 -10.040 149 3HD1 LEU 18 3HD1 LEU 18 -13.475 -2.919 -11.479 150 1HD2 LEU 18 1HD2 LEU 18 -11.162 -5.732 -10.511 151 2HD2 LEU 18 2HD2 LEU 18 -12.903 -5.592 -10.281 152 3HD2 LEU 18 3HD2 LEU 18 -12.184 -5.137 -11.839 153 H LEU 19 H LEU 19 -8.093 -1.272 -10.606 154 HA LEU 19 HA LEU 19 -7.325 -0.693 -13.256 155 1HB LEU 19 2HB LEU 19 -7.191 0.735 -11.019 156 2HB LEU 19 3HB LEU 19 -5.594 0.003 -10.865 157 HG LEU 19 HG LEU 19 -5.274 0.892 -13.334 158 1HD1 LEU 19 1HD1 LEU 19 -7.310 2.856 -12.166 159 2HD1 LEU 19 2HD1 LEU 19 -6.529 2.958 -13.758 160 3HD1 LEU 19 3HD1 LEU 19 -7.727 1.690 -13.423 161 1HD2 LEU 19 1HD2 LEU 19 -5.237 2.667 -10.857 162 2HD2 LEU 19 2HD2 LEU 19 -3.931 1.598 -11.415 163 3HD2 LEU 19 3HD2 LEU 19 -4.393 3.007 -12.384 164 H GLU 20 H GLU 20 -5.588 -2.392 -10.647 165 HA GLU 20 HA GLU 20 -3.257 -3.054 -12.170 166 1HB GLU 20 2HB GLU 20 -4.495 -4.344 -9.705 167 2HB GLU 20 3HB GLU 20 -2.893 -4.737 -10.345 168 1HG GLU 20 2HG GLU 20 -2.087 -2.490 -9.947 169 2HG GLU 20 3HG GLU 20 -3.696 -1.907 -9.515 170 H LYS 21 H LYS 21 -6.218 -4.970 -11.420 171 HA LYS 21 HA LYS 21 -5.184 -7.275 -12.843 172 1HB LYS 21 2HB LYS 21 -7.869 -6.645 -11.564 173 2HB LYS 21 3HB LYS 21 -7.487 -8.187 -12.348 174 1HG LYS 21 2HG LYS 21 -5.609 -8.564 -10.833 175 2HG LYS 21 3HG LYS 21 -5.899 -7.004 -10.031 176 1HD LYS 21 2HD LYS 21 -8.021 -7.734 -9.165 177 2HD LYS 21 3HD LYS 21 -8.059 -9.147 -10.221 178 1HE LYS 21 2HE LYS 21 -7.501 -9.773 -7.890 179 2HE LYS 21 3HE LYS 21 -6.231 -10.216 -9.041 180 1HZ LYS 21 1HZ LYS 21 -5.022 -8.268 -8.367 181 2HZ LYS 21 2HZ LYS 21 -6.196 -7.865 -7.282 182 3HZ LYS 21 3HZ LYS 21 -5.326 -9.246 -7.079 183 H SER 22 H SER 22 -8.040 -5.152 -13.540 184 HA SER 22 HA SER 22 -8.526 -6.716 -15.994 185 1HB SER 22 2HB SER 22 -10.051 -4.420 -14.719 186 2HB SER 22 3HB SER 22 -10.600 -5.433 -16.073 187 HG SER 22 HG SER 22 -11.362 -6.123 -13.974 188 H THR 23 H THR 23 -6.326 -5.920 -16.775 189 HA THR 23 HA THR 23 -5.899 -3.187 -17.343 190 HB THR 23 HB THR 23 -3.861 -4.000 -18.492 191 HG1 THR 23 HG1 THR 23 -4.729 -5.881 -19.381 192 1HG2 THR 23 1HG2 THR 23 -3.946 -3.769 -15.994 193 2HG2 THR 23 2HG2 THR 23 -2.808 -5.001 -16.574 194 3HG2 THR 23 3HG2 THR 23 -4.360 -5.491 -15.892 195 H ARG 24 H ARG 24 -8.276 -3.424 -18.545 196 HA ARG 24 HA ARG 24 -7.695 -3.229 -21.463 197 1HB ARG 24 2HB ARG 24 -10.232 -3.436 -19.821 198 2HB ARG 24 3HB ARG 24 -10.300 -2.808 -21.467 199 1HG ARG 24 2HG ARG 24 -8.901 -5.441 -20.980 200 2HG ARG 24 3HG ARG 24 -10.665 -5.384 -20.938 201 1HD ARG 24 2HD ARG 24 -9.810 -5.998 -23.162 202 2HD ARG 24 3HD ARG 24 -10.816 -4.566 -23.200 203 HE ARG 24 HE ARG 24 -7.840 -4.751 -23.465 204 1HH1 ARG 24 2HH1 ARG 24 -10.740 -2.730 -23.885 205 2HH1 ARG 24 1HH1 ARG 24 -9.893 -1.501 -24.777 206 1HH2 ARG 24 2HH2 ARG 24 -6.754 -3.116 -24.555 207 2HH2 ARG 24 1HH2 ARG 24 -7.593 -1.714 -25.153 208 H LYS 25 H LYS 25 -8.725 -1.250 -22.466 209 HA LYS 25 HA LYS 25 -7.732 1.178 -21.567 210 1HB LYS 25 2HB LYS 25 -8.676 0.707 -23.808 211 2HB LYS 25 3HB LYS 25 -10.311 0.680 -23.116 212 1HG LYS 25 2HG LYS 25 -10.080 3.063 -22.462 213 2HG LYS 25 3HG LYS 25 -8.415 3.075 -23.078 214 1HD LYS 25 2HD LYS 25 -9.267 2.579 -25.362 215 2HD LYS 25 3HD LYS 25 -10.927 2.520 -24.728 216 1HE LYS 25 2HE LYS 25 -10.740 4.891 -24.000 217 2HE LYS 25 3HE LYS 25 -9.086 4.958 -24.641 218 1HZ LYS 25 1HZ LYS 25 -9.980 4.502 -26.808 219 2HZ LYS 25 2HZ LYS 25 -11.515 4.447 -26.209 220 3HZ LYS 25 3HZ LYS 25 -10.664 5.856 -26.168 221 H ARG 26 H ARG 26 -10.488 -0.565 -20.332 222 HA ARG 26 HA ARG 26 -12.115 1.443 -19.314 223 1HB ARG 26 2HB ARG 26 -13.021 -0.168 -17.808 224 2HB ARG 26 3HB ARG 26 -12.738 -0.912 -19.374 225 1HG ARG 26 2HG ARG 26 -11.685 -2.563 -18.348 226 2HG ARG 26 3HG ARG 26 -10.366 -1.486 -17.885 227 1HD ARG 26 2HD ARG 26 -12.946 -1.914 -16.291 228 2HD ARG 26 3HD ARG 26 -11.497 -2.864 -16.049 229 HE ARG 26 HE ARG 26 -12.005 -0.084 -15.251 230 1HH1 ARG 26 1HH2 ARG 26 -9.371 -2.436 -15.773 231 2HH1 ARG 26 2HH2 ARG 26 -8.692 -2.230 -14.192 232 1HH2 ARG 26 1HH1 ARG 26 -10.881 0.419 -13.292 233 2HH2 ARG 26 2HH1 ARG 26 -9.402 -0.403 -12.886 234 H LEU 27 H LEU 27 -8.966 0.389 -18.094 235 HA LEU 27 HA LEU 27 -8.838 1.362 -15.522 236 1HB LEU 27 2HB LEU 27 -6.927 1.577 -17.879 237 2HB LEU 27 3HB LEU 27 -6.608 2.496 -16.401 238 HG LEU 27 HG LEU 27 -6.749 0.458 -15.050 239 1HD1 LEU 27 1HD1 LEU 27 -6.603 -1.690 -15.964 240 2HD1 LEU 27 2HD1 LEU 27 -7.970 -0.951 -16.799 241 3HD1 LEU 27 3HD1 LEU 27 -6.398 -1.062 -17.622 242 1HD2 LEU 27 1HD2 LEU 27 -4.622 0.538 -17.235 243 2HD2 LEU 27 2HD2 LEU 27 -4.589 1.456 -15.714 244 3HD2 LEU 27 3HD2 LEU 27 -4.471 -0.313 -15.684 245 H ARG 28 H ARG 28 -8.737 3.386 -18.494 246 HA ARG 28 HA ARG 28 -8.273 5.824 -17.047 247 1HB ARG 28 2HB ARG 28 -9.373 5.374 -19.860 248 2HB ARG 28 3HB ARG 28 -8.814 6.919 -19.196 249 1HG ARG 28 2HG ARG 28 -6.543 5.900 -18.830 250 2HG ARG 28 3HG ARG 28 -7.124 4.397 -19.564 251 1HD ARG 28 2HD ARG 28 -5.907 5.630 -21.218 252 2HD ARG 28 3HD ARG 28 -7.627 5.630 -21.670 253 HE ARG 28 HE ARG 28 -7.113 7.956 -20.134 254 1HH1 ARG 28 1HH1 ARG 28 -6.188 6.594 -23.255 255 2HH1 ARG 28 2HH1 ARG 28 -5.918 8.138 -24.017 256 1HH2 ARG 28 1HH2 ARG 28 -6.761 9.990 -21.108 257 2HH2 ARG 28 2HH2 ARG 28 -6.248 10.106 -22.768 258 H ASP 29 H ASP 29 -11.185 4.587 -18.701 259 HA ASP 29 HA ASP 29 -12.972 6.622 -17.987 260 1HB ASP 29 2HB ASP 29 -13.623 3.657 -18.369 261 2HB ASP 29 3HB ASP 29 -14.735 5.019 -18.542 262 H THR 30 H THR 30 -12.410 3.477 -16.436 263 HA THR 30 HA THR 30 -14.289 3.702 -14.344 264 HB THR 30 HB THR 30 -11.673 2.136 -14.313 265 HG1 THR 30 HG1 THR 30 -12.811 1.603 -16.151 266 1HG2 THR 30 1HG2 THR 30 -14.378 1.600 -13.000 267 2HG2 THR 30 2HG2 THR 30 -12.939 0.574 -12.887 268 3HG2 THR 30 3HG2 THR 30 -12.941 2.192 -12.147 269 H LEU 31 H LEU 31 -10.706 4.352 -14.361 270 HA LEU 31 HA LEU 31 -10.558 5.116 -11.663 271 1HB LEU 31 2HB LEU 31 -8.654 4.548 -13.086 272 2HB LEU 31 3HB LEU 31 -8.858 6.018 -14.034 273 HG LEU 31 HG LEU 31 -7.002 5.984 -12.380 274 1HD1 LEU 31 1HD1 LEU 31 -8.918 8.251 -11.737 275 2HD1 LEU 31 2HD1 LEU 31 -7.156 8.240 -11.682 276 3HD1 LEU 31 3HD1 LEU 31 -7.983 8.124 -13.244 277 1HD2 LEU 31 1HD2 LEU 31 -8.177 4.784 -10.542 278 2HD2 LEU 31 2HD2 LEU 31 -7.379 6.277 -10.013 279 3HD2 LEU 31 3HD2 LEU 31 -9.137 6.250 -10.224 280 H THR 32 H THR 32 -10.926 7.181 -14.611 281 HA THR 32 HA THR 32 -11.013 9.639 -13.250 282 HB THR 32 HB THR 32 -12.495 8.914 -15.818 283 HG1 THR 32 HG1 THR 32 -10.373 8.360 -16.052 284 1HG2 THR 32 1HG2 THR 32 -13.095 11.160 -14.939 285 2HG2 THR 32 2HG2 THR 32 -11.369 11.559 -14.783 286 3HG2 THR 32 3HG2 THR 32 -12.081 11.289 -16.386 287 H SER 33 H SER 33 -13.761 7.521 -14.227 288 HA SER 33 HA SER 33 -15.811 9.191 -13.216 289 1HB SER 33 2HB SER 33 -15.815 6.148 -13.478 290 2HB SER 33 3HB SER 33 -17.230 7.215 -13.371 291 HG SER 33 HG SER 33 -15.292 7.057 -15.435 292 H GLU 34 H GLU 34 -14.175 6.355 -11.690 293 HA GLU 34 HA GLU 34 -15.738 6.516 -9.333 294 1HB GLU 34 2HB GLU 34 -14.398 4.508 -10.215 295 2HB GLU 34 3HB GLU 34 -12.959 5.293 -9.545 296 1HG GLU 34 2HG GLU 34 -13.787 3.716 -7.905 297 2HG GLU 34 3HG GLU 34 -14.166 5.325 -7.291 298 H LYS 35 H LYS 35 -12.493 7.814 -10.134 299 HA LYS 35 HA LYS 35 -11.849 8.992 -7.655 300 1HB LYS 35 2HB LYS 35 -10.311 8.785 -9.492 301 2HB LYS 35 3HB LYS 35 -11.241 9.869 -10.512 302 1HG LYS 35 2HG LYS 35 -9.985 10.699 -7.854 303 2HG LYS 35 3HG LYS 35 -9.103 10.729 -9.373 304 1HD LYS 35 2HD LYS 35 -11.494 12.466 -8.630 305 2HD LYS 35 3HD LYS 35 -9.832 12.947 -8.908 306 1HE LYS 35 2HE LYS 35 -11.810 11.964 -11.015 307 2HE LYS 35 3HE LYS 35 -11.158 13.585 -10.817 308 1HZ LYS 35 1HZ LYS 35 -8.987 12.720 -11.327 309 2HZ LYS 35 2HZ LYS 35 -9.597 11.198 -11.512 310 3HZ LYS 35 3HZ LYS 35 -10.050 12.397 -12.546 311 H SER 36 H SER 36 -13.728 10.340 -10.431 312 HA SER 36 HA SER 36 -14.308 12.826 -9.224 313 1HB SER 36 2HB SER 36 -16.080 11.279 -11.165 314 2HB SER 36 3HB SER 36 -16.144 13.011 -10.803 315 HG SER 36 HG SER 36 -14.011 11.571 -12.006 316 H LYS 37 H LYS 37 -16.270 9.792 -9.143 317 HA LYS 37 HA LYS 37 -18.311 10.739 -7.435 318 1HB LYS 37 2HB LYS 37 -17.108 7.957 -7.716 319 2HB LYS 37 3HB LYS 37 -18.563 8.304 -6.787 320 1HG LYS 37 2HG LYS 37 -18.286 8.917 -9.767 321 2HG LYS 37 3HG LYS 37 -18.935 7.413 -9.101 322 1HD LYS 37 2HD LYS 37 -20.689 8.720 -7.880 323 2HD LYS 37 3HD LYS 37 -20.102 10.203 -8.660 324 1HE LYS 37 2HE LYS 37 -20.568 9.226 -10.893 325 2HE LYS 37 3HE LYS 37 -21.165 7.744 -10.120 326 1HZ LYS 37 1HZ LYS 37 -22.939 9.204 -10.707 327 2HZ LYS 37 2HZ LYS 37 -22.864 9.050 -9.070 328 3HZ LYS 37 3HZ LYS 37 -22.316 10.426 -9.794 329 H ILE 38 H ILE 38 -15.274 9.042 -6.480 330 HA ILE 38 HA ILE 38 -15.682 9.114 -3.712 331 HB ILE 38 HB ILE 38 -13.114 9.225 -5.337 332 1HG1 ILE 38 2HG1 ILE 38 -14.228 6.903 -3.708 333 2HG1 ILE 38 3HG1 ILE 38 -14.700 7.150 -5.386 334 1HG2 ILE 38 1HG2 ILE 38 -12.592 10.149 -3.121 335 2HG2 ILE 38 2HG2 ILE 38 -13.478 8.825 -2.336 336 3HG2 ILE 38 3HG2 ILE 38 -11.966 8.512 -3.200 337 1HD1 ILE 38 1HD1 ILE 38 -12.853 5.560 -5.269 338 2HD1 ILE 38 2HD1 ILE 38 -12.336 7.031 -6.107 339 3HD1 ILE 38 3HD1 ILE 38 -11.832 6.723 -4.432 340 H GLU 39 H GLU 39 -13.936 11.543 -5.732 341 HA GLU 39 HA GLU 39 -13.422 13.344 -3.595 342 1HB GLU 39 2HB GLU 39 -13.761 13.804 -6.593 343 2HB GLU 39 3HB GLU 39 -13.234 15.060 -5.465 344 1HG GLU 39 2HG GLU 39 -11.778 12.407 -5.889 345 2HG GLU 39 3HG GLU 39 -11.325 13.958 -6.607 346 H THR 40 H THR 40 -16.184 13.214 -5.864 347 HA THR 40 HA THR 40 -17.557 15.502 -4.939 348 HB THR 40 HB THR 40 -18.647 12.889 -6.075 349 HG1 THR 40 HG1 THR 40 -17.206 13.931 -7.436 350 1HG2 THR 40 1HG2 THR 40 -20.485 14.169 -5.061 351 2HG2 THR 40 2HG2 THR 40 -19.943 15.636 -5.919 352 3HG2 THR 40 3HG2 THR 40 -20.544 14.233 -6.831 353 H GLU 41 H GLU 41 -17.906 12.074 -3.878 354 HA GLU 41 HA GLU 41 -19.807 12.534 -1.828 355 1HB GLU 41 2HB GLU 41 -17.663 10.403 -2.194 356 2HB GLU 41 3HB GLU 41 -18.851 10.372 -0.880 357 1HG GLU 41 2HG GLU 41 -20.705 10.290 -2.466 358 2HG GLU 41 3HG GLU 41 -19.602 10.458 -3.837 359 H LEU 42 H LEU 42 -16.220 12.267 -1.579 360 HA LEU 42 HA LEU 42 -15.991 12.752 1.163 361 1HB LEU 42 2HB LEU 42 -14.215 11.935 -0.261 362 2HB LEU 42 3HB LEU 42 -14.123 13.437 -1.153 363 HG LEU 42 HG LEU 42 -12.317 12.927 0.524 364 1HD1 LEU 42 1HD1 LEU 42 -13.663 15.599 1.039 365 2HD1 LEU 42 2HD1 LEU 42 -11.955 15.177 1.205 366 3HD1 LEU 42 3HD1 LEU 42 -12.699 15.201 -0.400 367 1HD2 LEU 42 1HD2 LEU 42 -14.365 13.728 2.630 368 2HD2 LEU 42 2HD2 LEU 42 -13.784 12.074 2.336 369 3HD2 LEU 42 3HD2 LEU 42 -12.657 13.330 2.879 370 H LYS 43 H LYS 43 -15.655 15.187 -1.472 371 HA LYS 43 HA LYS 43 -15.429 17.439 0.227 372 1HB LYS 43 2HB LYS 43 -16.361 17.153 -2.649 373 2HB LYS 43 3HB LYS 43 -16.117 18.706 -1.876 374 1HG LYS 43 2HG LYS 43 -13.981 16.581 -2.325 375 2HG LYS 43 3HG LYS 43 -14.177 18.088 -3.213 376 1HD LYS 43 2HD LYS 43 -13.311 17.760 -0.306 377 2HD LYS 43 3HD LYS 43 -12.358 18.330 -1.669 378 1HE LYS 43 2HE LYS 43 -13.839 20.340 -1.861 379 2HE LYS 43 3HE LYS 43 -14.752 19.787 -0.442 380 1HZ LYS 43 1HZ LYS 43 -13.119 21.370 0.159 381 2HZ LYS 43 2HZ LYS 43 -12.766 19.912 0.839 382 3HZ LYS 43 3HZ LYS 43 -11.903 20.447 -0.460 383 H ASN 44 H ASN 44 -18.357 15.990 -1.266 384 HA ASN 44 HA ASN 44 -20.221 17.917 -0.317 385 1HB ASN 44 2HB ASN 44 -20.901 16.285 -1.942 386 2HB ASN 44 3HB ASN 44 -20.451 14.943 -0.878 387 1HD2 ASN 44 1HD2 ASN 44 -22.107 13.970 0.175 388 2HD2 ASN 44 2HD2 ASN 44 -23.615 14.770 0.594 389 H LYS 45 H LYS 45 -19.103 14.835 1.167 390 HA LYS 45 HA LYS 45 -20.813 15.017 3.421 391 1HB LYS 45 2HB LYS 45 -18.258 13.458 2.915 392 2HB LYS 45 3HB LYS 45 -19.260 13.229 4.352 393 1HG LYS 45 2HG LYS 45 -20.515 13.021 1.597 394 2HG LYS 45 3HG LYS 45 -19.585 11.684 2.264 395 1HD LYS 45 2HD LYS 45 -21.081 11.587 4.234 396 2HD LYS 45 3HD LYS 45 -21.952 13.018 3.671 397 1HE LYS 45 2HE LYS 45 -23.228 11.003 3.152 398 2HE LYS 45 3HE LYS 45 -22.723 11.809 1.660 399 1HZ LYS 45 1HZ LYS 45 -22.405 9.452 1.559 400 2HZ LYS 45 2HZ LYS 45 -20.947 10.212 1.478 401 3HZ LYS 45 3HZ LYS 45 -21.416 9.471 2.875 402 H MET 46 H MET 46 -17.369 16.074 3.015 403 HA MET 46 HA MET 46 -17.318 16.997 5.778 404 1HB MET 46 2HB MET 46 -15.291 18.160 5.294 405 2HB MET 46 3HB MET 46 -15.248 16.472 4.772 406 1HG MET 46 2HG MET 46 -15.401 17.096 2.475 407 2HG MET 46 3HG MET 46 -15.754 18.779 2.858 408 1HE MET 46 1HE MET 46 -11.603 16.942 3.656 409 2HE MET 46 2HE MET 46 -12.913 16.857 4.851 410 3HE MET 46 3HE MET 46 -13.056 15.971 3.315 411 H GLN 47 H GLN 47 -18.032 18.688 2.642 412 HA GLN 47 HA GLN 47 -18.160 21.226 3.966 413 1HB GLN 47 2HB GLN 47 -19.164 20.316 1.255 414 2HB GLN 47 3HB GLN 47 -19.267 21.984 1.818 415 1HG GLN 47 2HG GLN 47 -16.887 22.213 2.020 416 2HG GLN 47 3HG GLN 47 -16.617 20.507 1.670 417 1HE2 GLN 47 2HE2 GLN 47 -17.811 19.775 -0.404 418 2HE2 GLN 47 1HE2 GLN 47 -17.536 20.791 -1.832 419 H GLN 48 H GLN 48 -20.756 19.251 2.524 420 HA GLN 48 HA GLN 48 -22.965 19.272 2.601 421 1HB GLN 48 2HB GLN 48 -22.564 19.872 5.558 422 2HB GLN 48 3HB GLN 48 -24.055 19.289 4.794 423 1HG GLN 48 2HG GLN 48 -22.831 17.268 3.968 424 2HG GLN 48 3HG GLN 48 -21.361 17.870 4.737 425 1HE2 GLN 48 2HE2 GLN 48 -20.983 16.409 6.372 426 2HE2 GLN 48 1HE2 GLN 48 -22.157 16.047 7.640 427 H LYS 49 H LYS 49 -22.204 22.024 4.751 428 HA LYS 49 HA LYS 49 -24.055 23.753 3.156 429 1HB LYS 49 2HB LYS 49 -23.971 25.330 4.917 430 2HB LYS 49 3HB LYS 49 -24.385 23.765 5.613 431 1HG LYS 49 2HG LYS 49 -22.052 23.459 6.384 432 2HG LYS 49 3HG LYS 49 -21.597 25.013 5.672 433 1HD LYS 49 2HD LYS 49 -23.603 24.609 7.923 434 2HD LYS 49 3HD LYS 49 -21.940 25.169 8.100 435 1HE LYS 49 2HE LYS 49 -24.230 26.649 6.727 436 2HE LYS 49 3HE LYS 49 -23.399 27.081 8.220 437 1HZ LYS 49 1HZ LYS 49 -21.391 27.394 6.928 438 2HZ LYS 49 2HZ LYS 49 -22.212 27.077 5.532 439 3HZ LYS 49 3HZ LYS 49 -22.609 28.389 6.436 440 H SER 50 H SER 50 -22.732 26.199 3.457 441 HA SER 50 HA SER 50 -20.749 25.980 1.403 442 1HB SER 50 2HB SER 50 -20.875 28.577 1.906 443 2HB SER 50 3HB SER 50 -22.292 27.739 1.259 444 HG SER 50 HG SER 50 -22.790 29.035 3.118 445 H GLN 51 H GLN 51 -19.596 24.545 3.432 446 HA GLN 51 HA GLN 51 -17.617 26.275 4.814 447 1HB GLN 51 2HB GLN 51 -17.865 23.277 4.542 448 2HB GLN 51 3HB GLN 51 -16.607 24.113 5.471 449 1HG GLN 51 2HG GLN 51 -18.414 25.192 6.851 450 2HG GLN 51 3HG GLN 51 -19.598 24.179 6.004 451 1HE2 GLN 51 1HE2 GLN 51 -19.263 21.746 6.125 452 2HE2 GLN 51 2HE2 GLN 51 -18.497 21.103 7.549 453 H LYS 52 H LYS 52 -17.332 27.228 2.517 454 HA LYS 52 HA LYS 52 -15.612 25.812 0.684 455 1HB LYS 52 2HB LYS 52 -16.863 27.833 0.036 456 2HB LYS 52 3HB LYS 52 -15.960 28.802 1.206 457 1HG LYS 52 2HG LYS 52 -15.151 29.145 -1.075 458 2HG LYS 52 3HG LYS 52 -13.876 28.465 -0.057 459 1HD LYS 52 2HD LYS 52 -14.208 26.238 -1.029 460 2HD LYS 52 3HD LYS 52 -15.634 26.805 -1.929 461 1HE LYS 52 2HE LYS 52 -14.186 28.364 -3.215 462 2HE LYS 52 3HE LYS 52 -12.772 27.821 -2.290 463 1HZ LYS 52 1HZ LYS 52 -12.937 26.724 -4.390 464 2HZ LYS 52 2HZ LYS 52 -13.116 25.631 -3.170 465 3HZ LYS 52 3HZ LYS 52 -14.432 26.132 -4.026 466 H LYS 53 H LYS 53 -15.092 28.015 3.426 467 HA LYS 53 HA LYS 53 -12.233 27.745 3.562 468 1HB LYS 53 2HB LYS 53 -12.473 28.675 5.808 469 2HB LYS 53 3HB LYS 53 -13.465 29.573 4.654 470 1HG LYS 53 2HG LYS 53 -15.473 28.228 5.453 471 2HG LYS 53 3HG LYS 53 -14.428 27.501 6.686 472 1HD LYS 53 2HD LYS 53 -13.898 29.767 7.565 473 2HD LYS 53 3HD LYS 53 -15.017 30.481 6.390 474 1HE LYS 53 2HE LYS 53 -15.746 28.467 8.578 475 2HE LYS 53 3HE LYS 53 -16.043 30.211 8.637 476 1HZ LYS 53 1HZ LYS 53 -17.211 28.339 6.700 477 2HZ LYS 53 2HZ LYS 53 -17.983 29.049 7.969 478 3HZ LYS 53 3HZ LYS 53 -17.452 29.971 6.712 479 HA PRO 54 HA PRO 54 -12.157 23.565 5.148 480 1HB PRO 54 2HB PRO 54 -9.707 23.455 6.346 481 2HB PRO 54 3HB PRO 54 -9.915 23.610 4.582 482 1HG PRO 54 2HG PRO 54 -9.436 25.858 6.563 483 2HG PRO 54 3HG PRO 54 -8.534 25.527 5.052 484 1HD PRO 54 2HD PRO 54 -10.539 27.333 5.137 485 2HD PRO 54 3HD PRO 54 -10.349 26.259 3.718 486 H GLU 55 H GLU 55 -14.001 24.331 6.504 487 HA GLU 55 HA GLU 55 -15.132 24.392 8.480 488 1HB GLU 55 2HB GLU 55 -12.759 22.709 9.423 489 2HB GLU 55 3HB GLU 55 -14.265 22.945 10.315 490 1HG GLU 55 2HG GLU 55 -14.371 20.821 9.190 491 2HG GLU 55 3HG GLU 55 -15.552 21.911 8.462 Start of MODEL 6 1 1H MET 1 H MET 1 -18.557 10.290 11.254 2 HA MET 1 HA MET 1 -17.654 10.319 9.131 3 1HB MET 1 2HB MET 1 -15.301 11.380 10.758 4 2HB MET 1 3HB MET 1 -15.554 11.634 9.029 5 1HG MET 1 2HG MET 1 -17.302 12.646 11.305 6 2HG MET 1 3HG MET 1 -16.231 13.608 10.293 7 1HE MET 1 1HE MET 1 -16.689 14.154 7.732 8 2HE MET 1 2HE MET 1 -16.945 12.437 7.318 9 3HE MET 1 3HE MET 1 -18.159 13.651 6.868 10 H ALA 2 H ALA 2 -15.689 8.660 11.510 11 HA ALA 2 HA ALA 2 -13.650 7.539 10.015 12 1HB ALA 2 1HB ALA 2 -15.266 6.179 12.209 13 2HB ALA 2 2HB ALA 2 -13.653 5.691 11.641 14 3HB ALA 2 3HB ALA 2 -13.873 7.262 12.437 15 H SER 3 H SER 3 -16.981 6.155 10.361 16 HA SER 3 HA SER 3 -16.661 3.950 8.691 17 1HB SER 3 2HB SER 3 -19.177 5.646 8.902 18 2HB SER 3 3HB SER 3 -19.049 3.890 8.687 19 HG SER 3 HG SER 3 -18.124 3.809 10.797 20 H VAL 4 H VAL 4 -17.306 7.373 7.833 21 HA VAL 4 HA VAL 4 -18.002 6.822 5.069 22 HB VAL 4 HB VAL 4 -17.056 9.423 6.360 23 1HG1 VAL 4 1HG1 VAL 4 -18.142 10.489 4.467 24 2HG1 VAL 4 2HG1 VAL 4 -16.859 9.418 3.902 25 3HG1 VAL 4 3HG1 VAL 4 -18.556 8.908 3.766 26 1HG2 VAL 4 1HG2 VAL 4 -19.462 10.002 6.447 27 2HG2 VAL 4 2HG2 VAL 4 -19.879 8.364 5.901 28 3HG2 VAL 4 3HG2 VAL 4 -19.109 8.616 7.481 29 H LEU 5 H LEU 5 -15.100 7.993 6.828 30 HA LEU 5 HA LEU 5 -13.334 8.118 4.610 31 1HB LEU 5 2HB LEU 5 -12.689 7.336 7.484 32 2HB LEU 5 3HB LEU 5 -11.518 7.835 6.263 33 HG LEU 5 HG LEU 5 -13.744 9.594 7.394 34 1HD1 LEU 5 1HD1 LEU 5 -11.946 9.088 9.014 35 2HD1 LEU 5 2HD1 LEU 5 -10.734 9.640 7.840 36 3HD1 LEU 5 3HD1 LEU 5 -11.915 10.786 8.508 37 1HD2 LEU 5 1HD2 LEU 5 -12.509 11.434 6.244 38 2HD2 LEU 5 2HD2 LEU 5 -11.503 10.219 5.427 39 3HD2 LEU 5 3HD2 LEU 5 -13.254 10.303 5.113 40 H GLU 6 H GLU 6 -14.054 5.366 6.783 41 HA GLU 6 HA GLU 6 -12.375 3.457 5.595 42 1HB GLU 6 2HB GLU 6 -13.579 3.171 7.737 43 2HB GLU 6 3HB GLU 6 -15.113 3.030 6.864 44 1HG GLU 6 2HG GLU 6 -14.293 0.987 5.723 45 2HG GLU 6 3HG GLU 6 -12.729 1.159 6.538 46 H GLU 7 H GLU 7 -15.863 4.121 4.827 47 HA GLU 7 HA GLU 7 -15.980 2.262 2.683 48 1HB GLU 7 2HB GLU 7 -17.562 4.806 3.236 49 2HB GLU 7 3HB GLU 7 -17.939 3.697 1.910 50 1HG GLU 7 2HG GLU 7 -17.847 2.852 4.844 51 2HG GLU 7 3HG GLU 7 -19.314 3.283 3.957 52 H LEU 8 H LEU 8 -15.162 5.774 2.574 53 HA LEU 8 HA LEU 8 -14.812 5.822 -0.267 54 1HB LEU 8 2HB LEU 8 -13.534 7.500 1.919 55 2HB LEU 8 3HB LEU 8 -13.398 7.858 0.193 56 HG LEU 8 HG LEU 8 -16.066 7.701 1.675 57 1HD1 LEU 8 1HD1 LEU 8 -14.645 9.552 2.516 58 2HD1 LEU 8 2HD1 LEU 8 -14.425 10.118 0.844 59 3HD1 LEU 8 3HD1 LEU 8 -16.034 10.157 1.592 60 1HD2 LEU 8 1HD2 LEU 8 -15.338 8.754 -1.095 61 2HD2 LEU 8 2HD2 LEU 8 -16.343 7.329 -0.745 62 3HD2 LEU 8 3HD2 LEU 8 -16.914 8.936 -0.302 63 H GLN 9 H GLN 9 -12.449 5.122 2.358 64 HA GLN 9 HA GLN 9 -10.219 4.697 0.661 65 1HB GLN 9 2HB GLN 9 -10.059 4.955 3.085 66 2HB GLN 9 3HB GLN 9 -10.872 3.400 3.337 67 1HG GLN 9 2HG GLN 9 -9.037 2.203 2.251 68 2HG GLN 9 3HG GLN 9 -8.257 3.725 1.794 69 1HE2 GLN 9 1HE2 GLN 9 -7.327 5.074 3.517 70 2HE2 GLN 9 2HE2 GLN 9 -6.892 4.318 5.043 71 H LYS 10 H LYS 10 -12.764 2.397 1.785 72 HA LYS 10 HA LYS 10 -11.757 0.103 0.471 73 1HB LYS 10 2HB LYS 10 -13.696 0.173 2.100 74 2HB LYS 10 3HB LYS 10 -14.683 0.841 0.792 75 1HG LYS 10 2HG LYS 10 -13.864 -1.280 -0.572 76 2HG LYS 10 3HG LYS 10 -13.426 -1.904 1.030 77 1HD LYS 10 2HD LYS 10 -15.809 -1.470 1.755 78 2HD LYS 10 3HD LYS 10 -16.141 -0.838 0.130 79 1HE LYS 10 2HE LYS 10 -16.958 -3.133 0.296 80 2HE LYS 10 3HE LYS 10 -15.636 -3.033 -0.879 81 1HZ LYS 10 1HZ LYS 10 -15.385 -3.952 1.905 82 2HZ LYS 10 2HZ LYS 10 -15.432 -4.922 0.572 83 3HZ LYS 10 3HZ LYS 10 -14.166 -3.894 0.796 84 H ASP 11 H ASP 11 -14.010 2.675 -0.744 85 HA ASP 11 HA ASP 11 -14.247 1.551 -3.329 86 1HB ASP 11 2HB ASP 11 -15.665 3.384 -2.310 87 2HB ASP 11 3HB ASP 11 -14.379 4.523 -2.749 88 H LEU 12 H LEU 12 -11.785 3.723 -1.977 89 HA LEU 12 HA LEU 12 -10.246 4.234 -4.266 90 1HB LEU 12 2HB LEU 12 -10.080 4.972 -1.714 91 2HB LEU 12 3HB LEU 12 -8.828 3.721 -1.684 92 HG LEU 12 HG LEU 12 -8.956 6.120 -3.567 93 1HD1 LEU 12 1HD1 LEU 12 -7.185 5.554 -1.149 94 2HD1 LEU 12 2HD1 LEU 12 -7.081 6.972 -2.214 95 3HD1 LEU 12 3HD1 LEU 12 -8.520 6.725 -1.211 96 1HD2 LEU 12 1HD2 LEU 12 -7.743 4.315 -4.669 97 2HD2 LEU 12 2HD2 LEU 12 -6.573 5.490 -4.065 98 3HD2 LEU 12 3HD2 LEU 12 -6.829 3.969 -3.179 99 H GLU 13 H GLU 13 -10.236 1.460 -1.961 100 HA GLU 13 HA GLU 13 -8.141 -0.008 -3.253 101 1HB GLU 13 2HB GLU 13 -9.034 -0.419 -0.933 102 2HB GLU 13 3HB GLU 13 -10.463 -1.171 -1.663 103 1HG GLU 13 2HG GLU 13 -9.021 -2.841 -2.791 104 2HG GLU 13 3HG GLU 13 -7.592 -2.098 -2.051 105 H GLU 14 H GLU 14 -11.714 -0.026 -3.658 106 HA GLU 14 HA GLU 14 -11.841 -2.059 -5.610 107 1HB GLU 14 2HB GLU 14 -13.663 0.343 -5.226 108 2HB GLU 14 3HB GLU 14 -13.993 -1.002 -6.312 109 1HG GLU 14 2HG GLU 14 -14.017 -2.603 -4.489 110 2HG GLU 14 3HG GLU 14 -13.480 -1.388 -3.328 111 H VAL 15 H VAL 15 -11.570 1.535 -6.219 112 HA VAL 15 HA VAL 15 -11.352 1.173 -9.022 113 HB VAL 15 HB VAL 15 -11.768 3.369 -8.153 114 1HG1 VAL 15 1HG1 VAL 15 -10.058 4.813 -7.215 115 2HG1 VAL 15 2HG1 VAL 15 -10.439 3.424 -6.198 116 3HG1 VAL 15 3HG1 VAL 15 -8.917 3.455 -7.128 117 1HG2 VAL 15 1HG2 VAL 15 -10.354 4.657 -9.639 118 2HG2 VAL 15 2HG2 VAL 15 -9.146 3.361 -9.703 119 3HG2 VAL 15 3HG2 VAL 15 -10.755 3.113 -10.409 120 H LYS 16 H LYS 16 -8.708 1.179 -6.546 121 HA LYS 16 HA LYS 16 -6.600 0.823 -8.440 122 1HB LYS 16 2HB LYS 16 -6.894 -0.119 -5.562 123 2HB LYS 16 3HB LYS 16 -5.447 -0.420 -6.536 124 1HG LYS 16 2HG LYS 16 -5.168 1.988 -6.942 125 2HG LYS 16 3HG LYS 16 -6.599 2.339 -5.953 126 1HD LYS 16 2HD LYS 16 -5.528 1.418 -3.969 127 2HD LYS 16 3HD LYS 16 -4.159 0.810 -4.924 128 1HE LYS 16 2HE LYS 16 -3.491 3.101 -5.514 129 2HE LYS 16 3HE LYS 16 -4.880 3.758 -4.629 130 1HZ LYS 16 1HZ LYS 16 -2.882 3.847 -3.343 131 2HZ LYS 16 2HZ LYS 16 -3.962 2.829 -2.629 132 3HZ LYS 16 3HZ LYS 16 -2.673 2.217 -3.454 133 H VAL 17 H VAL 17 -8.385 -1.725 -6.663 134 HA VAL 17 HA VAL 17 -7.193 -3.946 -7.888 135 HB VAL 17 HB VAL 17 -9.947 -3.518 -6.673 136 1HG1 VAL 17 1HG1 VAL 17 -8.695 -6.125 -7.611 137 2HG1 VAL 17 2HG1 VAL 17 -10.094 -6.012 -6.524 138 3HG1 VAL 17 3HG1 VAL 17 -10.225 -5.418 -8.181 139 1HG2 VAL 17 1HG2 VAL 17 -7.476 -5.024 -5.690 140 2HG2 VAL 17 2HG2 VAL 17 -7.897 -3.381 -5.187 141 3HG2 VAL 17 3HG2 VAL 17 -8.971 -4.728 -4.780 142 H LEU 18 H LEU 18 -10.243 -2.275 -8.915 143 HA LEU 18 HA LEU 18 -10.629 -3.932 -11.212 144 1HB LEU 18 2HB LEU 18 -11.476 -1.050 -10.685 145 2HB LEU 18 3HB LEU 18 -11.935 -1.985 -12.112 146 HG LEU 18 HG LEU 18 -12.765 -2.546 -9.242 147 1HD1 LEU 18 1HD1 LEU 18 -13.922 -0.734 -10.502 148 2HD1 LEU 18 2HD1 LEU 18 -14.256 -1.879 -11.821 149 3HD1 LEU 18 3HD1 LEU 18 -15.002 -2.115 -10.221 150 1HD2 LEU 18 1HD2 LEU 18 -12.434 -4.745 -10.231 151 2HD2 LEU 18 2HD2 LEU 18 -14.159 -4.385 -10.274 152 3HD2 LEU 18 3HD2 LEU 18 -13.195 -4.226 -11.757 153 H LEU 19 H LEU 19 -8.879 -0.807 -10.868 154 HA LEU 19 HA LEU 19 -8.279 -0.474 -13.599 155 1HB LEU 19 2HB LEU 19 -8.055 1.247 -11.946 156 2HB LEU 19 3HB LEU 19 -6.779 0.389 -11.085 157 HG LEU 19 HG LEU 19 -6.295 0.953 -13.984 158 1HD1 LEU 19 1HD1 LEU 19 -6.237 3.136 -11.863 159 2HD1 LEU 19 2HD1 LEU 19 -5.623 3.284 -13.527 160 3HD1 LEU 19 3HD1 LEU 19 -7.353 3.027 -13.242 161 1HD2 LEU 19 1HD2 LEU 19 -4.011 1.460 -13.133 162 2HD2 LEU 19 2HD2 LEU 19 -4.580 1.239 -11.468 163 3HD2 LEU 19 3HD2 LEU 19 -4.536 -0.137 -12.588 164 H GLU 20 H GLU 20 -6.411 -2.123 -11.028 165 HA GLU 20 HA GLU 20 -4.225 -2.949 -12.654 166 1HB GLU 20 2HB GLU 20 -5.419 -4.088 -10.093 167 2HB GLU 20 3HB GLU 20 -3.912 -4.675 -10.817 168 1HG GLU 20 2HG GLU 20 -2.851 -2.509 -10.578 169 2HG GLU 20 3HG GLU 20 -4.349 -1.758 -10.029 170 H LYS 21 H LYS 21 -7.201 -4.776 -11.694 171 HA LYS 21 HA LYS 21 -6.448 -7.112 -13.189 172 1HB LYS 21 2HB LYS 21 -9.128 -6.144 -12.119 173 2HB LYS 21 3HB LYS 21 -8.881 -7.719 -12.898 174 1HG LYS 21 2HG LYS 21 -7.190 -8.336 -11.229 175 2HG LYS 21 3HG LYS 21 -7.363 -6.763 -10.426 176 1HD LYS 21 2HD LYS 21 -9.692 -7.239 -9.873 177 2HD LYS 21 3HD LYS 21 -9.644 -8.764 -10.782 178 1HE LYS 21 2HE LYS 21 -7.979 -9.698 -9.251 179 2HE LYS 21 3HE LYS 21 -7.852 -8.162 -8.380 180 1HZ LYS 21 1HZ LYS 21 -10.142 -8.408 -7.741 181 2HZ LYS 21 2HZ LYS 21 -10.257 -9.840 -8.548 182 3HZ LYS 21 3HZ LYS 21 -9.254 -9.703 -7.247 183 H SER 22 H SER 22 -8.667 -4.432 -13.958 184 HA SER 22 HA SER 22 -9.374 -5.545 -16.555 185 1HB SER 22 2HB SER 22 -10.144 -2.811 -15.464 186 2HB SER 22 3HB SER 22 -11.021 -3.848 -16.609 187 HG SER 22 HG SER 22 -10.611 -4.153 -13.836 188 H THR 23 H THR 23 -6.682 -5.230 -16.615 189 HA THR 23 HA THR 23 -5.717 -2.660 -17.257 190 HB THR 23 HB THR 23 -3.888 -4.712 -18.137 191 HG1 THR 23 HG1 THR 23 -4.838 -5.436 -15.625 192 1HG2 THR 23 1HG2 THR 23 -2.735 -4.169 -16.007 193 2HG2 THR 23 2HG2 THR 23 -3.160 -2.744 -16.968 194 3HG2 THR 23 3HG2 THR 23 -4.123 -3.164 -15.532 195 H ARG 24 H ARG 24 -7.901 -3.454 -19.117 196 HA ARG 24 HA ARG 24 -6.551 -3.914 -21.711 197 1HB ARG 24 2HB ARG 24 -9.525 -3.576 -21.264 198 2HB ARG 24 3HB ARG 24 -8.697 -4.384 -22.595 199 1HG ARG 24 2HG ARG 24 -8.861 -5.339 -19.698 200 2HG ARG 24 3HG ARG 24 -9.814 -5.952 -21.036 201 1HD ARG 24 2HD ARG 24 -7.995 -7.045 -22.047 202 2HD ARG 24 3HD ARG 24 -6.788 -6.123 -21.165 203 HE ARG 24 HE ARG 24 -8.490 -8.330 -20.129 204 1HH1 ARG 24 1HH1 ARG 24 -5.682 -6.258 -19.547 205 2HH1 ARG 24 2HH1 ARG 24 -5.608 -6.583 -17.836 206 1HH2 ARG 24 2HH2 ARG 24 -8.367 -8.815 -17.887 207 2HH2 ARG 24 1HH2 ARG 24 -7.253 -7.924 -16.875 208 H LYS 25 H LYS 25 -8.610 -1.564 -20.108 209 HA LYS 25 HA LYS 25 -7.736 0.762 -21.524 210 1HB LYS 25 2HB LYS 25 -8.931 -0.342 -23.400 211 2HB LYS 25 3HB LYS 25 -10.419 -0.400 -22.432 212 1HG LYS 25 2HG LYS 25 -10.326 2.126 -22.306 213 2HG LYS 25 3HG LYS 25 -8.916 2.086 -23.375 214 1HD LYS 25 2HD LYS 25 -11.758 1.152 -24.037 215 2HD LYS 25 3HD LYS 25 -10.972 2.640 -24.561 216 1HE LYS 25 2HE LYS 25 -10.716 1.344 -26.446 217 2HE LYS 25 3HE LYS 25 -9.164 1.070 -25.643 218 1HZ LYS 25 1HZ LYS 25 -10.106 -0.999 -24.799 219 2HZ LYS 25 2HZ LYS 25 -11.526 -0.691 -25.570 220 3HZ LYS 25 3HZ LYS 25 -10.152 -0.945 -26.442 221 H ARG 26 H ARG 26 -10.404 -0.934 -19.957 222 HA ARG 26 HA ARG 26 -11.885 0.935 -18.696 223 1HB ARG 26 2HB ARG 26 -10.830 -1.619 -17.441 224 2HB ARG 26 3HB ARG 26 -12.251 -0.729 -16.903 225 1HG ARG 26 2HG ARG 26 -11.909 -2.264 -19.521 226 2HG ARG 26 3HG ARG 26 -12.985 -2.628 -18.174 227 1HD ARG 26 2HD ARG 26 -13.195 -0.273 -20.088 228 2HD ARG 26 3HD ARG 26 -14.283 -1.665 -19.972 229 HE ARG 26 HE ARG 26 -14.362 -0.624 -17.438 230 1HH1 ARG 26 1HH2 ARG 26 -15.037 0.649 -20.667 231 2HH1 ARG 26 2HH2 ARG 26 -16.129 1.885 -20.107 232 1HH2 ARG 26 2HH1 ARG 26 -15.869 0.917 -16.703 233 2HH2 ARG 26 1HH1 ARG 26 -16.659 1.993 -17.822 234 H LEU 27 H LEU 27 -8.541 0.223 -17.791 235 HA LEU 27 HA LEU 27 -8.210 1.387 -15.328 236 1HB LEU 27 2HB LEU 27 -6.531 2.304 -17.704 237 2HB LEU 27 3HB LEU 27 -6.093 2.225 -16.012 238 HG LEU 27 HG LEU 27 -6.636 -0.430 -16.494 239 1HD1 LEU 27 1HD1 LEU 27 -7.006 -0.071 -18.929 240 2HD1 LEU 27 2HD1 LEU 27 -5.478 0.813 -19.061 241 3HD1 LEU 27 3HD1 LEU 27 -5.468 -0.909 -18.707 242 1HD2 LEU 27 1HD2 LEU 27 -4.161 -0.671 -16.709 243 2HD2 LEU 27 2HD2 LEU 27 -4.018 1.073 -16.994 244 3HD2 LEU 27 3HD2 LEU 27 -4.588 0.463 -15.428 245 H ARG 28 H ARG 28 -8.608 3.137 -18.426 246 HA ARG 28 HA ARG 28 -8.344 5.800 -17.443 247 1HB ARG 28 2HB ARG 28 -9.906 4.614 -19.771 248 2HB ARG 28 3HB ARG 28 -9.643 6.351 -19.538 249 1HG ARG 28 2HG ARG 28 -7.280 6.127 -19.895 250 2HG ARG 28 3HG ARG 28 -7.347 4.358 -19.802 251 1HD ARG 28 2HD ARG 28 -7.163 5.187 -22.132 252 2HD ARG 28 3HD ARG 28 -8.583 4.189 -21.870 253 HE ARG 28 HE ARG 28 -8.441 7.123 -22.331 254 1HH1 ARG 28 1HH1 ARG 28 -10.593 4.356 -21.708 255 2HH1 ARG 28 2HH1 ARG 28 -12.013 5.183 -22.265 256 1HH2 ARG 28 2HH2 ARG 28 -10.305 8.191 -23.005 257 2HH2 ARG 28 1HH2 ARG 28 -11.851 7.391 -23.006 258 H ASP 29 H ASP 29 -11.240 3.904 -18.269 259 HA ASP 29 HA ASP 29 -13.185 5.787 -17.595 260 1HB ASP 29 2HB ASP 29 -13.399 2.740 -17.502 261 2HB ASP 29 3HB ASP 29 -14.739 3.888 -17.608 262 H THR 30 H THR 30 -11.922 3.054 -15.663 263 HA THR 30 HA THR 30 -13.511 3.605 -13.342 264 HB THR 30 HB THR 30 -11.853 2.144 -12.154 265 HG1 THR 30 HG1 THR 30 -10.726 1.864 -14.751 266 1HG2 THR 30 1HG2 THR 30 -12.519 0.109 -13.345 267 2HG2 THR 30 2HG2 THR 30 -13.867 1.255 -13.153 268 3HG2 THR 30 3HG2 THR 30 -13.057 1.080 -14.734 269 H LEU 31 H LEU 31 -10.020 4.369 -14.044 270 HA LEU 31 HA LEU 31 -9.487 5.737 -11.708 271 1HB LEU 31 2HB LEU 31 -7.852 5.229 -13.454 272 2HB LEU 31 3HB LEU 31 -8.542 6.437 -14.528 273 HG LEU 31 HG LEU 31 -6.419 7.021 -13.403 274 1HD1 LEU 31 1HD1 LEU 31 -6.869 9.305 -12.965 275 2HD1 LEU 31 2HD1 LEU 31 -7.991 8.794 -14.236 276 3HD1 LEU 31 3HD1 LEU 31 -8.559 9.005 -12.562 277 1HD2 LEU 31 1HD2 LEU 31 -6.299 7.635 -11.068 278 2HD2 LEU 31 2HD2 LEU 31 -8.018 7.288 -10.825 279 3HD2 LEU 31 3HD2 LEU 31 -6.886 5.966 -11.194 280 H THR 32 H THR 32 -10.674 7.270 -14.761 281 HA THR 32 HA THR 32 -11.056 9.834 -13.612 282 HB THR 32 HB THR 32 -12.613 10.203 -15.556 283 HG1 THR 32 HG1 THR 32 -11.896 7.542 -16.250 284 1HG2 THR 32 1HG2 THR 32 -10.868 9.948 -17.281 285 2HG2 THR 32 2HG2 THR 32 -10.190 10.592 -15.774 286 3HG2 THR 32 3HG2 THR 32 -9.928 8.892 -16.208 287 H SER 33 H SER 33 -13.644 7.477 -14.405 288 HA SER 33 HA SER 33 -15.676 9.005 -13.236 289 1HB SER 33 2HB SER 33 -15.728 5.971 -13.511 290 2HB SER 33 3HB SER 33 -17.099 7.097 -13.528 291 HG SER 33 HG SER 33 -15.044 6.749 -15.446 292 H GLU 34 H GLU 34 -13.880 6.226 -11.808 293 HA GLU 34 HA GLU 34 -15.552 6.201 -9.485 294 1HB GLU 34 2HB GLU 34 -14.376 4.256 -10.547 295 2HB GLU 34 3HB GLU 34 -12.897 4.782 -9.730 296 1HG GLU 34 2HG GLU 34 -13.976 4.535 -7.549 297 2HG GLU 34 3HG GLU 34 -15.549 4.233 -8.299 298 H LYS 35 H LYS 35 -12.222 7.518 -10.209 299 HA LYS 35 HA LYS 35 -11.758 8.466 -7.556 300 1HB LYS 35 2HB LYS 35 -10.043 8.339 -9.373 301 2HB LYS 35 3HB LYS 35 -10.824 9.754 -10.130 302 1HG LYS 35 2HG LYS 35 -10.345 11.065 -8.045 303 2HG LYS 35 3HG LYS 35 -9.615 9.624 -7.336 304 1HD LYS 35 2HD LYS 35 -7.823 11.012 -8.142 305 2HD LYS 35 3HD LYS 35 -7.921 9.580 -9.171 306 1HE LYS 35 2HE LYS 35 -7.515 11.568 -10.520 307 2HE LYS 35 3HE LYS 35 -9.107 10.924 -10.918 308 1HZ LYS 35 1HZ LYS 35 -8.565 13.183 -9.114 309 2HZ LYS 35 2HZ LYS 35 -9.121 13.293 -10.659 310 3HZ LYS 35 3HZ LYS 35 -10.061 12.613 -9.491 311 H SER 36 H SER 36 -13.381 9.989 -10.408 312 HA SER 36 HA SER 36 -13.976 12.453 -9.169 313 1HB SER 36 2HB SER 36 -15.649 10.957 -11.229 314 2HB SER 36 3HB SER 36 -15.816 12.662 -10.774 315 HG SER 36 HG SER 36 -13.545 11.415 -11.931 316 H LYS 37 H LYS 37 -15.957 9.415 -9.166 317 HA LYS 37 HA LYS 37 -18.016 10.386 -7.493 318 1HB LYS 37 2HB LYS 37 -16.838 7.605 -7.808 319 2HB LYS 37 3HB LYS 37 -18.254 7.930 -6.812 320 1HG LYS 37 2HG LYS 37 -18.151 8.722 -9.752 321 2HG LYS 37 3HG LYS 37 -18.635 7.112 -9.201 322 1HD LYS 37 2HD LYS 37 -20.459 8.093 -7.833 323 2HD LYS 37 3HD LYS 37 -19.978 9.719 -8.330 324 1HE LYS 37 2HE LYS 37 -21.888 9.009 -9.641 325 2HE LYS 37 3HE LYS 37 -20.475 9.173 -10.694 326 1HZ LYS 37 1HZ LYS 37 -20.212 6.802 -10.607 327 2HZ LYS 37 2HZ LYS 37 -21.501 6.649 -9.588 328 3HZ LYS 37 3HZ LYS 37 -21.726 7.183 -11.130 329 H ILE 38 H ILE 38 -14.931 8.766 -6.506 330 HA ILE 38 HA ILE 38 -15.380 8.895 -3.721 331 HB ILE 38 HB ILE 38 -12.789 9.043 -5.305 332 1HG1 ILE 38 2HG1 ILE 38 -14.042 6.781 -3.681 333 2HG1 ILE 38 3HG1 ILE 38 -14.230 6.962 -5.423 334 1HG2 ILE 38 1HG2 ILE 38 -11.622 8.487 -3.183 335 2HG2 ILE 38 2HG2 ILE 38 -12.381 10.062 -3.083 336 3HG2 ILE 38 3HG2 ILE 38 -13.149 8.665 -2.299 337 1HD1 ILE 38 1HD1 ILE 38 -11.715 6.860 -5.659 338 2HD1 ILE 38 2HD1 ILE 38 -11.641 6.403 -3.939 339 3HD1 ILE 38 3HD1 ILE 38 -12.492 5.373 -5.095 340 H GLU 39 H GLU 39 -13.692 11.317 -5.783 341 HA GLU 39 HA GLU 39 -13.206 13.202 -3.724 342 1HB GLU 39 2HB GLU 39 -13.610 13.549 -6.721 343 2HB GLU 39 3HB GLU 39 -13.054 14.843 -5.649 344 1HG GLU 39 2HG GLU 39 -11.078 13.584 -5.007 345 2HG GLU 39 3HG GLU 39 -11.614 12.161 -5.903 346 H THR 40 H THR 40 -15.958 12.944 -5.987 347 HA THR 40 HA THR 40 -17.406 15.222 -5.155 348 HB THR 40 HB THR 40 -18.413 12.548 -6.232 349 HG1 THR 40 HG1 THR 40 -16.980 13.567 -7.610 350 1HG2 THR 40 1HG2 THR 40 -19.768 15.275 -6.178 351 2HG2 THR 40 2HG2 THR 40 -20.332 13.839 -7.063 352 3HG2 THR 40 3HG2 THR 40 -20.299 13.823 -5.291 353 H GLU 41 H GLU 41 -17.677 11.793 -3.987 354 HA GLU 41 HA GLU 41 -19.629 12.545 -2.041 355 1HB GLU 41 2HB GLU 41 -17.945 10.045 -2.358 356 2HB GLU 41 3HB GLU 41 -19.105 10.256 -1.036 357 1HG GLU 41 2HG GLU 41 -19.782 10.380 -4.005 358 2HG GLU 41 3HG GLU 41 -20.110 9.024 -2.924 359 H LEU 42 H LEU 42 -16.070 12.249 -1.827 360 HA LEU 42 HA LEU 42 -15.873 12.657 0.967 361 1HB LEU 42 2HB LEU 42 -13.984 12.057 -0.541 362 2HB LEU 42 3HB LEU 42 -14.063 13.654 -1.270 363 HG LEU 42 HG LEU 42 -13.534 14.649 1.010 364 1HD1 LEU 42 1HD1 LEU 42 -14.179 12.748 2.465 365 2HD1 LEU 42 2HD1 LEU 42 -12.957 11.721 1.679 366 3HD1 LEU 42 3HD1 LEU 42 -12.457 13.101 2.658 367 1HD2 LEU 42 1HD2 LEU 42 -11.837 14.368 -0.753 368 2HD2 LEU 42 2HD2 LEU 42 -11.137 14.092 0.852 369 3HD2 LEU 42 3HD2 LEU 42 -11.518 12.710 -0.199 370 H LYS 43 H LYS 43 -15.918 15.069 -1.707 371 HA LYS 43 HA LYS 43 -15.853 17.350 -0.068 372 1HB LYS 43 2HB LYS 43 -15.424 17.241 -2.544 373 2HB LYS 43 3HB LYS 43 -17.146 17.018 -2.811 374 1HG LYS 43 2HG LYS 43 -16.492 19.328 -3.229 375 2HG LYS 43 3HG LYS 43 -17.641 19.235 -1.908 376 1HD LYS 43 2HD LYS 43 -15.829 20.864 -1.472 377 2HD LYS 43 3HD LYS 43 -15.887 19.605 -0.245 378 1HE LYS 43 2HE LYS 43 -13.573 20.154 -0.913 379 2HE LYS 43 3HE LYS 43 -13.950 18.463 -1.250 380 1HZ LYS 43 1HZ LYS 43 -14.307 19.059 -3.533 381 2HZ LYS 43 2HZ LYS 43 -13.994 20.647 -3.219 382 3HZ LYS 43 3HZ LYS 43 -12.801 19.521 -3.054 383 H ASN 44 H ASN 44 -18.656 15.568 -1.395 384 HA ASN 44 HA ASN 44 -20.783 17.122 -0.358 385 1HB ASN 44 2HB ASN 44 -21.155 15.335 -1.949 386 2HB ASN 44 3HB ASN 44 -20.467 14.152 -0.830 387 1HD2 ASN 44 1HD2 ASN 44 -22.292 12.786 -0.810 388 2HD2 ASN 44 2HD2 ASN 44 -23.774 13.311 -0.022 389 H LYS 45 H LYS 45 -19.156 14.268 1.118 390 HA LYS 45 HA LYS 45 -20.672 14.357 3.526 391 1HB LYS 45 2HB LYS 45 -18.012 13.069 2.845 392 2HB LYS 45 3HB LYS 45 -18.880 12.788 4.358 393 1HG LYS 45 2HG LYS 45 -20.193 12.303 1.645 394 2HG LYS 45 3HG LYS 45 -19.203 11.083 2.437 395 1HD LYS 45 2HD LYS 45 -20.713 11.212 4.448 396 2HD LYS 45 3HD LYS 45 -21.749 12.346 3.569 397 1HE LYS 45 2HE LYS 45 -21.104 9.485 2.707 398 2HE LYS 45 3HE LYS 45 -22.609 10.031 3.463 399 1HZ LYS 45 1HZ LYS 45 -21.594 10.898 0.843 400 2HZ LYS 45 2HZ LYS 45 -22.859 9.887 1.125 401 3HZ LYS 45 3HZ LYS 45 -22.955 11.469 1.574 402 H MET 46 H MET 46 -17.643 16.010 2.594 403 HA MET 46 HA MET 46 -17.201 17.094 5.264 404 1HB MET 46 2HB MET 46 -16.316 17.972 2.482 405 2HB MET 46 3HB MET 46 -15.904 18.854 3.960 406 1HG MET 46 2HG MET 46 -14.773 16.903 4.873 407 2HG MET 46 3HG MET 46 -15.195 15.945 3.445 408 1HE MET 46 1HE MET 46 -12.218 16.378 4.712 409 2HE MET 46 2HE MET 46 -12.626 15.289 3.364 410 3HE MET 46 3HE MET 46 -11.298 16.462 3.189 411 H GLN 47 H GLN 47 -18.363 18.817 2.292 412 HA GLN 47 HA GLN 47 -19.701 20.747 4.134 413 1HB GLN 47 2HB GLN 47 -19.796 22.305 2.311 414 2HB GLN 47 3HB GLN 47 -18.194 21.821 2.808 415 1HG GLN 47 2HG GLN 47 -18.128 22.120 0.495 416 2HG GLN 47 3HG GLN 47 -17.950 20.402 0.799 417 1HE2 GLN 47 1HE2 GLN 47 -19.464 19.009 -0.126 418 2HE2 GLN 47 2HE2 GLN 47 -20.781 19.562 -1.164 419 H GLN 48 H GLN 48 -21.091 18.834 4.557 420 HA GLN 48 HA GLN 48 -23.052 17.935 2.758 421 1HB GLN 48 2HB GLN 48 -23.302 18.380 5.753 422 2HB GLN 48 3HB GLN 48 -24.415 17.414 4.773 423 1HG GLN 48 2HG GLN 48 -22.666 15.838 4.184 424 2HG GLN 48 3HG GLN 48 -21.429 16.859 4.926 425 1HE2 GLN 48 1HE2 GLN 48 -20.663 15.393 6.441 426 2HE2 GLN 48 2HE2 GLN 48 -21.656 14.830 7.788 427 H LYS 49 H LYS 49 -24.524 19.012 1.640 428 HA LYS 49 HA LYS 49 -26.000 20.562 0.900 429 1HB LYS 49 2HB LYS 49 -26.466 21.437 3.741 430 2HB LYS 49 3HB LYS 49 -27.595 21.511 2.407 431 1HG LYS 49 2HG LYS 49 -28.046 19.208 2.448 432 2HG LYS 49 3HG LYS 49 -26.621 18.798 3.406 433 1HD LYS 49 2HD LYS 49 -28.858 20.527 4.511 434 2HD LYS 49 3HD LYS 49 -28.799 18.763 4.687 435 1HE LYS 49 2HE LYS 49 -26.610 18.916 5.837 436 2HE LYS 49 3HE LYS 49 -26.619 20.676 5.682 437 1HZ LYS 49 1HZ LYS 49 -27.382 19.990 7.809 438 2HZ LYS 49 2HZ LYS 49 -28.580 20.764 6.979 439 3HZ LYS 49 3HZ LYS 49 -28.619 19.120 7.149 440 H SER 50 H SER 50 -23.148 21.239 1.465 441 HA SER 50 HA SER 50 -21.724 22.833 1.414 442 1HB SER 50 2HB SER 50 -23.996 24.678 0.655 443 2HB SER 50 3HB SER 50 -22.267 25.084 0.573 444 HG SER 50 HG SER 50 -22.069 23.078 -0.730 445 H GLN 51 H GLN 51 -24.470 23.660 3.506 446 HA GLN 51 HA GLN 51 -22.484 24.267 5.591 447 1HB GLN 51 2HB GLN 51 -23.193 26.453 4.578 448 2HB GLN 51 3HB GLN 51 -24.872 26.076 4.986 449 1HG GLN 51 2HG GLN 51 -24.299 26.041 7.388 450 2HG GLN 51 3HG GLN 51 -22.591 26.327 6.995 451 1HE2 GLN 51 1HE2 GLN 51 -22.211 28.398 5.590 452 2HE2 GLN 51 2HE2 GLN 51 -23.173 29.790 6.062 453 H LYS 52 H LYS 52 -23.372 23.787 7.695 454 HA LYS 52 HA LYS 52 -25.331 21.633 7.640 455 1HB LYS 52 2HB LYS 52 -23.956 22.993 9.986 456 2HB LYS 52 3HB LYS 52 -24.806 21.444 10.020 457 1HG LYS 52 2HG LYS 52 -22.257 22.039 8.437 458 2HG LYS 52 3HG LYS 52 -22.343 21.214 9.991 459 1HD LYS 52 2HD LYS 52 -23.660 19.386 9.020 460 2HD LYS 52 3HD LYS 52 -23.655 20.172 7.432 461 1HE LYS 52 2HE LYS 52 -21.119 19.322 8.907 462 2HE LYS 52 3HE LYS 52 -21.948 18.344 7.693 463 1HZ LYS 52 1HZ LYS 52 -20.237 19.540 6.645 464 2HZ LYS 52 2HZ LYS 52 -21.667 20.192 6.152 465 3HZ LYS 52 3HZ LYS 52 -20.744 20.982 7.264 466 H LYS 53 H LYS 53 -26.881 23.249 6.626 467 HA LYS 53 HA LYS 53 -28.584 24.576 8.703 468 1HB LYS 53 2HB LYS 53 -29.354 26.040 6.833 469 2HB LYS 53 3HB LYS 53 -27.647 26.255 7.236 470 1HG LYS 53 2HG LYS 53 -26.969 24.969 5.282 471 2HG LYS 53 3HG LYS 53 -28.649 24.535 4.922 472 1HD LYS 53 2HD LYS 53 -29.188 26.856 4.431 473 2HD LYS 53 3HD LYS 53 -27.598 27.398 4.996 474 1HE LYS 53 2HE LYS 53 -27.763 27.292 2.508 475 2HE LYS 53 3HE LYS 53 -26.474 26.258 3.147 476 1HZ LYS 53 1HZ LYS 53 -29.154 25.299 2.434 477 2HZ LYS 53 2HZ LYS 53 -27.830 25.211 1.444 478 3HZ LYS 53 3HZ LYS 53 -27.848 24.383 2.865 479 HA PRO 54 HA PRO 54 -31.703 21.687 7.314 480 1HB PRO 54 2HB PRO 54 -34.021 23.006 7.900 481 2HB PRO 54 3HB PRO 54 -32.905 22.413 9.157 482 1HG PRO 54 2HG PRO 54 -33.010 25.217 7.998 483 2HG PRO 54 3HG PRO 54 -33.048 24.751 9.728 484 1HD PRO 54 2HD PRO 54 -30.766 25.502 8.525 485 2HD PRO 54 3HD PRO 54 -30.762 24.151 9.693 486 H GLU 55 H GLU 55 -30.609 22.283 5.157 487 HA GLU 55 HA GLU 55 -30.695 22.781 2.967 488 1HB GLU 55 2HB GLU 55 -32.704 21.179 3.309 489 2HB GLU 55 3HB GLU 55 -33.727 22.604 3.098 490 1HG GLU 55 2HG GLU 55 -31.674 21.488 1.118 491 2HG GLU 55 3HG GLU 55 -33.430 21.332 0.995 Start of MODEL 7 1 1H MET 1 H MET 1 -16.626 12.788 10.450 2 HA MET 1 HA MET 1 -17.919 10.847 9.368 3 1HB MET 1 2HB MET 1 -17.427 11.603 7.106 4 2HB MET 1 3HB MET 1 -17.578 12.965 8.215 5 1HG MET 1 2HG MET 1 -15.090 13.109 8.372 6 2HG MET 1 3HG MET 1 -14.955 11.814 7.182 7 1HE MET 1 1HE MET 1 -15.754 12.041 4.665 8 2HE MET 1 2HE MET 1 -17.353 12.677 5.131 9 3HE MET 1 3HE MET 1 -16.360 13.554 3.952 10 H ALA 2 H ALA 2 -15.722 9.664 10.794 11 HA ALA 2 HA ALA 2 -13.784 8.289 9.491 12 1HB ALA 2 1HB ALA 2 -14.021 6.512 11.189 13 2HB ALA 2 2HB ALA 2 -14.182 8.126 11.907 14 3HB ALA 2 3HB ALA 2 -15.628 7.129 11.627 15 H SER 3 H SER 3 -17.145 6.935 9.835 16 HA SER 3 HA SER 3 -16.949 4.712 8.319 17 1HB SER 3 2HB SER 3 -19.339 6.570 8.117 18 2HB SER 3 3HB SER 3 -19.301 4.801 8.262 19 HG SER 3 HG SER 3 -19.804 5.780 10.277 20 H VAL 4 H VAL 4 -17.304 8.062 7.095 21 HA VAL 4 HA VAL 4 -17.869 7.295 4.363 22 HB VAL 4 HB VAL 4 -16.903 9.964 5.429 23 1HG1 VAL 4 1HG1 VAL 4 -17.905 10.811 3.325 24 2HG1 VAL 4 2HG1 VAL 4 -16.558 9.719 3.020 25 3HG1 VAL 4 3HG1 VAL 4 -18.226 9.145 2.809 26 1HG2 VAL 4 1HG2 VAL 4 -19.308 10.595 5.298 27 2HG2 VAL 4 2HG2 VAL 4 -19.724 8.910 4.920 28 3HG2 VAL 4 3HG2 VAL 4 -19.040 9.334 6.505 29 H LEU 5 H LEU 5 -15.010 8.478 6.193 30 HA LEU 5 HA LEU 5 -13.157 8.391 4.026 31 1HB LEU 5 2HB LEU 5 -12.547 7.758 6.942 32 2HB LEU 5 3HB LEU 5 -11.401 8.254 5.697 33 HG LEU 5 HG LEU 5 -13.643 9.941 6.879 34 1HD1 LEU 5 1HD1 LEU 5 -11.705 9.596 8.360 35 2HD1 LEU 5 2HD1 LEU 5 -10.619 10.184 7.083 36 3HD1 LEU 5 3HD1 LEU 5 -11.815 11.278 7.811 37 1HD2 LEU 5 1HD2 LEU 5 -13.377 10.599 4.536 38 2HD2 LEU 5 2HD2 LEU 5 -12.632 11.820 5.570 39 3HD2 LEU 5 3HD2 LEU 5 -11.608 10.647 4.718 40 H GLU 6 H GLU 6 -14.041 5.867 6.388 41 HA GLU 6 HA GLU 6 -12.367 3.809 5.436 42 1HB GLU 6 2HB GLU 6 -15.075 3.735 6.820 43 2HB GLU 6 3HB GLU 6 -14.099 2.293 6.508 44 1HG GLU 6 2HG GLU 6 -12.290 3.089 7.880 45 2HG GLU 6 3HG GLU 6 -13.012 4.689 8.051 46 H GLU 7 H GLU 7 -15.885 4.336 4.571 47 HA GLU 7 HA GLU 7 -15.785 2.162 2.728 48 1HB GLU 7 2HB GLU 7 -17.944 2.777 1.976 49 2HB GLU 7 3HB GLU 7 -17.858 2.988 3.730 50 1HG GLU 7 2HG GLU 7 -17.446 5.446 3.306 51 2HG GLU 7 3HG GLU 7 -17.820 5.173 1.599 52 H LEU 8 H LEU 8 -15.235 5.684 2.189 53 HA LEU 8 HA LEU 8 -14.961 5.402 -0.667 54 1HB LEU 8 2HB LEU 8 -13.822 7.467 1.250 55 2HB LEU 8 3HB LEU 8 -13.754 7.587 -0.511 56 HG LEU 8 HG LEU 8 -16.299 7.561 1.170 57 1HD1 LEU 8 1HD1 LEU 8 -16.493 9.875 0.412 58 2HD1 LEU 8 2HD1 LEU 8 -14.922 9.639 1.209 59 3HD1 LEU 8 3HD1 LEU 8 -15.019 9.706 -0.565 60 1HD2 LEU 8 1HD2 LEU 8 -15.954 7.657 -1.851 61 2HD2 LEU 8 2HD2 LEU 8 -16.868 6.456 -0.907 62 3HD2 LEU 8 3HD2 LEU 8 -17.436 8.117 -0.987 63 H GLN 9 H GLN 9 -12.542 5.223 1.993 64 HA GLN 9 HA GLN 9 -10.301 4.730 0.331 65 1HB GLN 9 2HB GLN 9 -10.118 5.226 2.705 66 2HB GLN 9 3HB GLN 9 -10.892 3.691 3.132 67 1HG GLN 9 2HG GLN 9 -9.034 2.424 2.180 68 2HG GLN 9 3HG GLN 9 -8.289 3.902 1.554 69 1HE2 GLN 9 1HE2 GLN 9 -7.385 5.451 3.110 70 2HE2 GLN 9 2HE2 GLN 9 -6.944 4.888 4.715 71 H LYS 10 H LYS 10 -12.707 2.409 1.709 72 HA LYS 10 HA LYS 10 -11.544 0.103 0.580 73 1HB LYS 10 2HB LYS 10 -13.316 0.018 2.278 74 2HB LYS 10 3HB LYS 10 -14.482 0.681 1.129 75 1HG LYS 10 2HG LYS 10 -14.784 -1.708 1.346 76 2HG LYS 10 3HG LYS 10 -14.282 -1.316 -0.298 77 1HD LYS 10 2HD LYS 10 -11.963 -2.047 0.216 78 2HD LYS 10 3HD LYS 10 -12.425 -2.343 1.906 79 1HE LYS 10 2HE LYS 10 -14.068 -4.064 1.092 80 2HE LYS 10 3HE LYS 10 -13.527 -3.753 -0.570 81 1HZ LYS 10 1HZ LYS 10 -11.882 -4.778 1.635 82 2HZ LYS 10 2HZ LYS 10 -12.415 -5.630 0.329 83 3HZ LYS 10 3HZ LYS 10 -11.311 -4.415 0.135 84 H ASP 11 H ASP 11 -14.010 2.349 -0.814 85 HA ASP 11 HA ASP 11 -14.255 1.033 -3.298 86 1HB ASP 11 2HB ASP 11 -15.728 2.882 -2.528 87 2HB ASP 11 3HB ASP 11 -14.407 4.029 -2.784 88 H LEU 12 H LEU 12 -11.873 3.463 -2.234 89 HA LEU 12 HA LEU 12 -10.425 3.831 -4.596 90 1HB LEU 12 2HB LEU 12 -10.266 4.885 -2.193 91 2HB LEU 12 3HB LEU 12 -8.984 3.692 -1.958 92 HG LEU 12 HG LEU 12 -9.127 5.808 -4.156 93 1HD1 LEU 12 1HD1 LEU 12 -8.760 6.730 -1.890 94 2HD1 LEU 12 2HD1 LEU 12 -7.396 5.618 -1.652 95 3HD1 LEU 12 3HD1 LEU 12 -7.308 6.887 -2.893 96 1HD2 LEU 12 1HD2 LEU 12 -7.841 3.934 -5.002 97 2HD2 LEU 12 2HD2 LEU 12 -6.701 5.179 -4.491 98 3HD2 LEU 12 3HD2 LEU 12 -6.981 3.763 -3.450 99 H GLU 13 H GLU 13 -9.958 1.413 -1.974 100 HA GLU 13 HA GLU 13 -7.885 -0.093 -3.170 101 1HB GLU 13 2HB GLU 13 -8.682 -0.293 -0.802 102 2HB GLU 13 3HB GLU 13 -10.108 -1.164 -1.388 103 1HG GLU 13 2HG GLU 13 -8.609 -2.902 -2.392 104 2HG GLU 13 3HG GLU 13 -7.214 -2.047 -1.714 105 H GLU 14 H GLU 14 -11.462 -0.510 -3.452 106 HA GLU 14 HA GLU 14 -11.402 -2.763 -5.158 107 1HB GLU 14 2HB GLU 14 -13.446 -0.514 -5.000 108 2HB GLU 14 3HB GLU 14 -13.649 -1.987 -5.949 109 1HG GLU 14 2HG GLU 14 -13.507 -3.390 -3.970 110 2HG GLU 14 3HG GLU 14 -13.134 -2.005 -2.942 111 H VAL 15 H VAL 15 -11.419 0.754 -6.113 112 HA VAL 15 HA VAL 15 -11.227 0.030 -8.879 113 HB VAL 15 HB VAL 15 -12.093 2.139 -8.340 114 1HG1 VAL 15 1HG1 VAL 15 -10.603 4.064 -7.721 115 2HG1 VAL 15 2HG1 VAL 15 -10.814 2.857 -6.452 116 3HG1 VAL 15 3HG1 VAL 15 -9.297 2.912 -7.383 117 1HG2 VAL 15 1HG2 VAL 15 -11.077 3.407 -10.094 118 2HG2 VAL 15 2HG2 VAL 15 -9.528 2.571 -9.909 119 3HG2 VAL 15 3HG2 VAL 15 -10.934 1.694 -10.538 120 H LYS 16 H LYS 16 -8.616 0.601 -6.444 121 HA LYS 16 HA LYS 16 -6.448 0.319 -8.285 122 1HB LYS 16 2HB LYS 16 -6.726 -0.536 -5.387 123 2HB LYS 16 3HB LYS 16 -5.267 -0.815 -6.339 124 1HG LYS 16 2HG LYS 16 -5.059 1.576 -6.815 125 2HG LYS 16 3HG LYS 16 -6.520 1.912 -5.861 126 1HD LYS 16 2HD LYS 16 -5.476 1.013 -3.842 127 2HD LYS 16 3HD LYS 16 -4.047 0.480 -4.742 128 1HE LYS 16 2HE LYS 16 -4.926 3.387 -4.516 129 2HE LYS 16 3HE LYS 16 -3.749 2.618 -3.436 130 1HZ LYS 16 1HZ LYS 16 -2.674 3.783 -5.199 131 2HZ LYS 16 2HZ LYS 16 -2.385 2.167 -5.347 132 3HZ LYS 16 3HZ LYS 16 -3.468 2.908 -6.346 133 H VAL 17 H VAL 17 -8.095 -2.236 -6.412 134 HA VAL 17 HA VAL 17 -6.877 -4.489 -7.534 135 HB VAL 17 HB VAL 17 -9.679 -4.020 -6.460 136 1HG1 VAL 17 1HG1 VAL 17 -9.910 -5.946 -7.958 137 2HG1 VAL 17 2HG1 VAL 17 -8.468 -6.693 -7.227 138 3HG1 VAL 17 3HG1 VAL 17 -9.941 -6.462 -6.270 139 1HG2 VAL 17 1HG2 VAL 17 -8.815 -5.195 -4.507 140 2HG2 VAL 17 2HG2 VAL 17 -7.282 -5.530 -5.336 141 3HG2 VAL 17 3HG2 VAL 17 -7.709 -3.870 -4.895 142 H LEU 18 H LEU 18 -9.857 -2.865 -8.775 143 HA LEU 18 HA LEU 18 -10.054 -4.574 -11.062 144 1HB LEU 18 2HB LEU 18 -11.127 -1.780 -10.555 145 2HB LEU 18 3HB LEU 18 -11.526 -2.741 -11.983 146 HG LEU 18 HG LEU 18 -12.138 -3.583 -9.113 147 1HD1 LEU 18 1HD1 LEU 18 -13.913 -2.510 -11.344 148 2HD1 LEU 18 2HD1 LEU 18 -14.466 -3.068 -9.747 149 3HD1 LEU 18 3HD1 LEU 18 -13.440 -1.626 -9.874 150 1HD2 LEU 18 1HD2 LEU 18 -12.847 -4.830 -11.812 151 2HD2 LEU 18 2HD2 LEU 18 -11.912 -5.583 -10.497 152 3HD2 LEU 18 3HD2 LEU 18 -13.629 -5.258 -10.276 153 H LEU 19 H LEU 19 -8.546 -1.303 -10.784 154 HA LEU 19 HA LEU 19 -8.017 -1.136 -13.568 155 1HB LEU 19 2HB LEU 19 -6.964 0.872 -13.175 156 2HB LEU 19 3HB LEU 19 -8.130 0.731 -11.890 157 HG LEU 19 HG LEU 19 -6.079 -0.150 -10.484 158 1HD1 LEU 19 1HD1 LEU 19 -3.946 0.907 -11.125 159 2HD1 LEU 19 2HD1 LEU 19 -4.400 -0.288 -12.335 160 3HD1 LEU 19 3HD1 LEU 19 -4.652 1.435 -12.664 161 1HD2 LEU 19 1HD2 LEU 19 -6.359 2.754 -11.356 162 2HD2 LEU 19 2HD2 LEU 19 -7.274 1.960 -10.059 163 3HD2 LEU 19 3HD2 LEU 19 -5.531 2.196 -9.886 164 H GLU 20 H GLU 20 -6.164 -2.549 -10.879 165 HA GLU 20 HA GLU 20 -3.836 -3.240 -12.427 166 1HB GLU 20 2HB GLU 20 -5.130 -4.473 -9.964 167 2HB GLU 20 3HB GLU 20 -3.588 -5.022 -10.636 168 1HG GLU 20 2HG GLU 20 -2.515 -2.935 -10.179 169 2HG GLU 20 3HG GLU 20 -4.044 -2.109 -9.870 170 H LYS 21 H LYS 21 -6.677 -5.266 -11.470 171 HA LYS 21 HA LYS 21 -5.767 -7.502 -12.981 172 1HB LYS 21 2HB LYS 21 -8.464 -6.789 -11.772 173 2HB LYS 21 3HB LYS 21 -8.120 -8.354 -12.533 174 1HG LYS 21 2HG LYS 21 -6.354 -8.840 -10.963 175 2HG LYS 21 3HG LYS 21 -6.462 -7.218 -10.244 176 1HD LYS 21 2HD LYS 21 -8.670 -7.642 -9.378 177 2HD LYS 21 3HD LYS 21 -8.820 -9.150 -10.284 178 1HE LYS 21 2HE LYS 21 -8.312 -9.530 -7.864 179 2HE LYS 21 3HE LYS 21 -7.129 -10.255 -8.963 180 1HZ LYS 21 1HZ LYS 21 -6.762 -7.702 -7.559 181 2HZ LYS 21 2HZ LYS 21 -6.098 -9.144 -7.123 182 3HZ LYS 21 3HZ LYS 21 -5.670 -8.437 -8.546 183 H SER 22 H SER 22 -8.420 -5.194 -13.737 184 HA SER 22 HA SER 22 -9.025 -6.665 -16.230 185 1HB SER 22 2HB SER 22 -10.296 -4.180 -15.010 186 2HB SER 22 3HB SER 22 -10.942 -5.188 -16.328 187 HG SER 22 HG SER 22 -10.398 -6.104 -13.691 188 H THR 23 H THR 23 -6.556 -5.895 -16.648 189 HA THR 23 HA THR 23 -5.996 -3.239 -17.215 190 HB THR 23 HB THR 23 -4.381 -5.412 -18.497 191 HG1 THR 23 HG1 THR 23 -4.605 -5.309 -15.674 192 1HG2 THR 23 1HG2 THR 23 -2.543 -4.298 -17.345 193 2HG2 THR 23 2HG2 THR 23 -3.512 -3.075 -18.193 194 3HG2 THR 23 3HG2 THR 23 -3.672 -3.279 -16.431 195 H ARG 24 H ARG 24 -8.258 -3.479 -18.774 196 HA ARG 24 HA ARG 24 -7.316 -3.341 -21.601 197 1HB ARG 24 2HB ARG 24 -10.126 -3.025 -20.491 198 2HB ARG 24 3HB ARG 24 -9.651 -3.192 -22.186 199 1HG ARG 24 2HG ARG 24 -8.733 -5.477 -21.653 200 2HG ARG 24 3HG ARG 24 -9.416 -5.333 -20.024 201 1HD ARG 24 2HD ARG 24 -10.974 -5.229 -22.641 202 2HD ARG 24 3HD ARG 24 -10.911 -6.592 -21.504 203 HE ARG 24 HE ARG 24 -11.758 -4.362 -20.025 204 1HH1 ARG 24 1HH2 ARG 24 -12.940 -6.367 -22.685 205 2HH1 ARG 24 2HH2 ARG 24 -14.623 -6.077 -22.349 206 1HH2 ARG 24 1HH1 ARG 24 -13.955 -3.943 -19.589 207 2HH2 ARG 24 2HH1 ARG 24 -15.209 -4.676 -20.550 208 H LYS 25 H LYS 25 -8.730 -1.292 -22.624 209 HA LYS 25 HA LYS 25 -7.524 1.079 -21.710 210 1HB LYS 25 2HB LYS 25 -9.102 2.249 -23.148 211 2HB LYS 25 3HB LYS 25 -8.392 0.838 -23.944 212 1HG LYS 25 2HG LYS 25 -10.483 -0.443 -23.625 213 2HG LYS 25 3HG LYS 25 -11.163 0.865 -22.655 214 1HD LYS 25 2HD LYS 25 -12.096 0.938 -24.888 215 2HD LYS 25 3HD LYS 25 -11.164 2.395 -24.538 216 1HE LYS 25 2HE LYS 25 -10.797 1.590 -26.841 217 2HE LYS 25 3HE LYS 25 -9.292 1.583 -25.922 218 1HZ LYS 25 1HZ LYS 25 -9.578 -0.769 -25.595 219 2HZ LYS 25 2HZ LYS 25 -11.003 -0.756 -26.425 220 3HZ LYS 25 3HZ LYS 25 -9.592 -0.409 -27.203 221 H ARG 26 H ARG 26 -10.329 -0.561 -20.452 222 HA ARG 26 HA ARG 26 -11.891 1.550 -19.573 223 1HB ARG 26 2HB ARG 26 -12.953 0.080 -18.062 224 2HB ARG 26 3HB ARG 26 -12.642 -0.799 -19.542 225 1HG ARG 26 2HG ARG 26 -10.960 -2.161 -18.549 226 2HG ARG 26 3HG ARG 26 -10.699 -1.066 -17.196 227 1HD ARG 26 2HD ARG 26 -13.254 -2.641 -17.598 228 2HD ARG 26 3HD ARG 26 -11.911 -3.051 -16.507 229 HE ARG 26 HE ARG 26 -12.794 -0.366 -16.027 230 1HH1 ARG 26 1HH2 ARG 26 -13.657 -3.724 -15.295 231 2HH1 ARG 26 2HH2 ARG 26 -14.660 -3.284 -13.939 232 1HH2 ARG 26 1HH1 ARG 26 -14.091 0.206 -14.428 233 2HH2 ARG 26 2HH1 ARG 26 -14.947 -0.957 -13.421 234 H LEU 27 H LEU 27 -8.873 0.500 -18.216 235 HA LEU 27 HA LEU 27 -8.879 1.328 -15.569 236 1HB LEU 27 2HB LEU 27 -6.866 1.478 -17.832 237 2HB LEU 27 3HB LEU 27 -6.475 2.163 -16.250 238 HG LEU 27 HG LEU 27 -6.453 0.172 -15.149 239 1HD1 LEU 27 1HD1 LEU 27 -8.600 -0.841 -15.861 240 2HD1 LEU 27 2HD1 LEU 27 -7.873 -1.263 -17.418 241 3HD1 LEU 27 3HD1 LEU 27 -7.276 -1.980 -15.919 242 1HD2 LEU 27 1HD2 LEU 27 -4.587 0.463 -16.747 243 2HD2 LEU 27 2HD2 LEU 27 -4.916 -1.235 -16.376 244 3HD2 LEU 27 3HD2 LEU 27 -5.453 -0.550 -17.923 245 H ARG 28 H ARG 28 -8.439 3.490 -18.441 246 HA ARG 28 HA ARG 28 -8.019 5.790 -16.741 247 1HB ARG 28 2HB ARG 28 -8.714 5.545 -19.694 248 2HB ARG 28 3HB ARG 28 -8.411 7.082 -18.860 249 1HG ARG 28 2HG ARG 28 -6.179 6.294 -18.153 250 2HG ARG 28 3HG ARG 28 -6.443 4.750 -18.969 251 1HD ARG 28 2HD ARG 28 -5.078 6.240 -20.397 252 2HD ARG 28 3HD ARG 28 -6.625 5.859 -21.144 253 HE ARG 28 HE ARG 28 -7.222 8.051 -21.104 254 1HH1 ARG 28 2HH2 ARG 28 -4.558 7.637 -18.827 255 2HH1 ARG 28 1HH2 ARG 28 -4.385 9.340 -18.495 256 1HH2 ARG 28 2HH1 ARG 28 -7.029 10.270 -20.670 257 2HH2 ARG 28 1HH1 ARG 28 -5.825 10.862 -19.561 258 H ASP 29 H ASP 29 -10.849 4.704 -18.642 259 HA ASP 29 HA ASP 29 -12.653 6.740 -17.958 260 1HB ASP 29 2HB ASP 29 -13.301 3.774 -18.339 261 2HB ASP 29 3HB ASP 29 -14.405 5.137 -18.536 262 H THR 30 H THR 30 -12.090 3.603 -16.395 263 HA THR 30 HA THR 30 -13.963 3.864 -14.287 264 HB THR 30 HB THR 30 -11.416 2.182 -14.433 265 HG1 THR 30 HG1 THR 30 -12.757 1.750 -16.113 266 1HG2 THR 30 1HG2 THR 30 -12.422 2.369 -12.118 267 2HG2 THR 30 2HG2 THR 30 -13.958 1.791 -12.776 268 3HG2 THR 30 3HG2 THR 30 -12.519 0.741 -12.797 269 H LEU 31 H LEU 31 -10.401 4.488 -14.360 270 HA LEU 31 HA LEU 31 -10.073 5.294 -11.705 271 1HB LEU 31 2HB LEU 31 -8.212 4.867 -13.236 272 2HB LEU 31 3HB LEU 31 -8.698 6.221 -14.261 273 HG LEU 31 HG LEU 31 -8.176 7.801 -12.380 274 1HD1 LEU 31 1HD1 LEU 31 -8.421 6.282 -10.452 275 2HD1 LEU 31 2HD1 LEU 31 -7.097 5.263 -11.069 276 3HD1 LEU 31 3HD1 LEU 31 -6.772 6.920 -10.515 277 1HD2 LEU 31 1HD2 LEU 31 -5.919 5.948 -13.246 278 2HD2 LEU 31 2HD2 LEU 31 -6.556 7.324 -14.173 279 3HD2 LEU 31 3HD2 LEU 31 -5.738 7.603 -12.625 280 H THR 32 H THR 32 -10.749 7.329 -14.593 281 HA THR 32 HA THR 32 -10.912 9.790 -13.230 282 HB THR 32 HB THR 32 -12.444 8.980 -15.746 283 HG1 THR 32 HG1 THR 32 -10.299 8.507 -16.044 284 1HG2 THR 32 1HG2 THR 32 -12.157 11.367 -16.334 285 2HG2 THR 32 2HG2 THR 32 -13.096 11.205 -14.839 286 3HG2 THR 32 3HG2 THR 32 -11.382 11.674 -14.769 287 H SER 33 H SER 33 -13.545 7.511 -14.134 288 HA SER 33 HA SER 33 -15.686 9.015 -13.071 289 1HB SER 33 2HB SER 33 -15.444 5.979 -13.285 290 2HB SER 33 3HB SER 33 -16.939 6.919 -13.126 291 HG SER 33 HG SER 33 -15.086 6.947 -15.277 292 H GLU 34 H GLU 34 -13.775 6.370 -11.550 293 HA GLU 34 HA GLU 34 -15.241 6.411 -9.130 294 1HB GLU 34 2HB GLU 34 -13.560 4.599 -10.098 295 2HB GLU 34 3HB GLU 34 -12.345 5.543 -9.223 296 1HG GLU 34 2HG GLU 34 -13.030 4.018 -7.568 297 2HG GLU 34 3HG GLU 34 -14.118 5.353 -7.228 298 H LYS 35 H LYS 35 -12.133 7.987 -10.066 299 HA LYS 35 HA LYS 35 -11.559 9.248 -7.611 300 1HB LYS 35 2HB LYS 35 -10.017 9.203 -9.505 301 2HB LYS 35 3HB LYS 35 -11.109 10.216 -10.466 302 1HG LYS 35 2HG LYS 35 -10.813 12.084 -8.879 303 2HG LYS 35 3HG LYS 35 -9.776 11.063 -7.854 304 1HD LYS 35 2HD LYS 35 -8.143 10.862 -9.694 305 2HD LYS 35 3HD LYS 35 -9.236 11.736 -10.781 306 1HE LYS 35 2HE LYS 35 -7.469 13.233 -10.002 307 2HE LYS 35 3HE LYS 35 -9.042 13.777 -9.398 308 1HZ LYS 35 1HZ LYS 35 -7.330 13.838 -7.730 309 2HZ LYS 35 2HZ LYS 35 -8.528 12.803 -7.301 310 3HZ LYS 35 3HZ LYS 35 -7.087 12.212 -7.853 311 H SER 36 H SER 36 -13.543 10.431 -10.379 312 HA SER 36 HA SER 36 -14.311 12.882 -9.221 313 1HB SER 36 2HB SER 36 -15.958 11.144 -11.116 314 2HB SER 36 3HB SER 36 -16.165 12.876 -10.803 315 HG SER 36 HG SER 36 -13.897 11.594 -11.947 316 H LYS 37 H LYS 37 -16.088 9.732 -9.121 317 HA LYS 37 HA LYS 37 -18.198 10.543 -7.444 318 1HB LYS 37 2HB LYS 37 -16.771 7.870 -7.708 319 2HB LYS 37 3HB LYS 37 -18.233 8.086 -6.750 320 1HG LYS 37 2HG LYS 37 -18.111 8.781 -9.715 321 2HG LYS 37 3HG LYS 37 -18.499 7.170 -9.097 322 1HD LYS 37 2HD LYS 37 -20.420 8.111 -7.810 323 2HD LYS 37 3HD LYS 37 -20.044 9.724 -8.429 324 1HE LYS 37 2HE LYS 37 -21.868 8.775 -9.715 325 2HE LYS 37 3HE LYS 37 -20.443 8.951 -10.753 326 1HZ LYS 37 1HZ LYS 37 -21.317 6.461 -9.453 327 2HZ LYS 37 2HZ LYS 37 -21.545 6.848 -11.038 328 3HZ LYS 37 3HZ LYS 37 -20.021 6.619 -10.459 329 H ILE 38 H ILE 38 -15.083 9.041 -6.445 330 HA ILE 38 HA ILE 38 -15.528 9.114 -3.680 331 HB ILE 38 HB ILE 38 -12.975 9.231 -5.320 332 1HG1 ILE 38 2HG1 ILE 38 -14.137 6.987 -3.601 333 2HG1 ILE 38 3HG1 ILE 38 -14.507 7.160 -5.314 334 1HG2 ILE 38 1HG2 ILE 38 -12.430 10.258 -3.158 335 2HG2 ILE 38 2HG2 ILE 38 -13.269 8.949 -2.301 336 3HG2 ILE 38 3HG2 ILE 38 -11.769 8.633 -3.193 337 1HD1 ILE 38 1HD1 ILE 38 -12.069 7.002 -5.851 338 2HD1 ILE 38 2HD1 ILE 38 -11.745 6.652 -4.136 339 3HD1 ILE 38 3HD1 ILE 38 -12.737 5.548 -5.087 340 H GLU 39 H GLU 39 -13.789 11.593 -5.668 341 HA GLU 39 HA GLU 39 -13.379 13.432 -3.556 342 1HB GLU 39 2HB GLU 39 -13.761 13.827 -6.550 343 2HB GLU 39 3HB GLU 39 -13.305 15.135 -5.449 344 1HG GLU 39 2HG GLU 39 -11.300 13.908 -4.731 345 2HG GLU 39 3HG GLU 39 -11.710 12.549 -5.781 346 H THR 40 H THR 40 -16.136 13.160 -5.825 347 HA THR 40 HA THR 40 -17.598 15.399 -4.905 348 HB THR 40 HB THR 40 -18.577 12.785 -6.138 349 HG1 THR 40 HG1 THR 40 -17.127 13.890 -7.429 350 1HG2 THR 40 1HG2 THR 40 -20.483 14.108 -6.925 351 2HG2 THR 40 2HG2 THR 40 -20.483 13.994 -5.156 352 3HG2 THR 40 3HG2 THR 40 -19.942 15.496 -5.950 353 H GLU 41 H GLU 41 -17.891 11.945 -3.902 354 HA GLU 41 HA GLU 41 -19.910 12.347 -1.940 355 1HB GLU 41 2HB GLU 41 -17.745 10.238 -2.266 356 2HB GLU 41 3HB GLU 41 -19.031 10.140 -1.050 357 1HG GLU 41 2HG GLU 41 -20.756 10.099 -2.759 358 2HG GLU 41 3HG GLU 41 -19.578 10.371 -4.045 359 H LEU 42 H LEU 42 -16.327 12.241 -1.655 360 HA LEU 42 HA LEU 42 -16.163 12.573 1.131 361 1HB LEU 42 2HB LEU 42 -14.286 11.957 -0.378 362 2HB LEU 42 3HB LEU 42 -14.298 13.569 -1.064 363 HG LEU 42 HG LEU 42 -13.771 14.448 1.298 364 1HD1 LEU 42 1HD1 LEU 42 -14.440 12.453 2.605 365 2HD1 LEU 42 2HD1 LEU 42 -13.242 11.466 1.742 366 3HD1 LEU 42 3HD1 LEU 42 -12.712 12.763 2.824 367 1HD2 LEU 42 1HD2 LEU 42 -11.380 13.869 1.089 368 2HD2 LEU 42 2HD2 LEU 42 -11.787 12.574 -0.059 369 3HD2 LEU 42 3HD2 LEU 42 -12.084 14.273 -0.487 370 H LYS 43 H LYS 43 -16.015 15.124 -1.432 371 HA LYS 43 HA LYS 43 -15.988 17.287 0.387 372 1HB LYS 43 2HB LYS 43 -15.370 17.307 -2.097 373 2HB LYS 43 3HB LYS 43 -17.100 17.270 -2.440 374 1HG LYS 43 2HG LYS 43 -16.731 19.509 -2.598 375 2HG LYS 43 3HG LYS 43 -17.147 19.452 -0.891 376 1HD LYS 43 2HD LYS 43 -14.351 19.567 -2.129 377 2HD LYS 43 3HD LYS 43 -15.206 20.880 -1.314 378 1HE LYS 43 2HE LYS 43 -15.169 19.482 0.813 379 2HE LYS 43 3HE LYS 43 -14.102 18.340 -0.046 380 1HZ LYS 43 1HZ LYS 43 -12.562 20.114 -0.375 381 2HZ LYS 43 2HZ LYS 43 -13.538 21.171 0.432 382 3HZ LYS 43 3HZ LYS 43 -12.870 19.892 1.229 383 H ASN 44 H ASN 44 -18.708 15.598 -1.175 384 HA ASN 44 HA ASN 44 -20.846 17.211 -0.338 385 1HB ASN 44 2HB ASN 44 -21.003 15.226 -1.849 386 2HB ASN 44 3HB ASN 44 -20.871 14.176 -0.429 387 1HD2 ASN 44 1HD2 ASN 44 -23.067 15.508 -2.505 388 2HD2 ASN 44 2HD2 ASN 44 -24.471 15.548 -1.440 389 H LYS 45 H LYS 45 -19.485 14.311 1.340 390 HA LYS 45 HA LYS 45 -21.125 14.806 3.661 391 1HB LYS 45 2HB LYS 45 -18.772 12.953 3.271 392 2HB LYS 45 3HB LYS 45 -19.919 12.893 4.625 393 1HG LYS 45 2HG LYS 45 -20.587 12.448 1.677 394 2HG LYS 45 3HG LYS 45 -20.408 11.189 2.890 395 1HD LYS 45 2HD LYS 45 -22.348 12.028 4.133 396 2HD LYS 45 3HD LYS 45 -22.557 13.372 2.998 397 1HE LYS 45 2HE LYS 45 -22.725 10.450 2.177 398 2HE LYS 45 3HE LYS 45 -24.105 11.490 2.564 399 1HZ LYS 45 1HZ LYS 45 -23.746 11.459 0.242 400 2HZ LYS 45 2HZ LYS 45 -23.405 12.971 0.810 401 3HZ LYS 45 3HZ LYS 45 -22.180 11.948 0.400 402 H MET 46 H MET 46 -17.883 15.923 2.803 403 HA MET 46 HA MET 46 -17.199 16.835 5.440 404 1HB MET 46 2HB MET 46 -16.426 17.748 2.649 405 2HB MET 46 3HB MET 46 -15.916 18.637 4.087 406 1HG MET 46 2HG MET 46 -14.826 16.685 5.007 407 2HG MET 46 3HG MET 46 -15.320 15.703 3.620 408 1HE MET 46 1HE MET 46 -12.297 16.151 4.841 409 2HE MET 46 2HE MET 46 -12.754 14.983 3.579 410 3HE MET 46 3HE MET 46 -11.408 16.116 3.298 411 H GLN 47 H GLN 47 -18.485 18.866 2.724 412 HA GLN 47 HA GLN 47 -19.150 20.859 4.816 413 1HB GLN 47 2HB GLN 47 -19.449 22.471 3.023 414 2HB GLN 47 3HB GLN 47 -17.842 21.769 3.176 415 1HG GLN 47 2HG GLN 47 -18.441 22.084 0.851 416 2HG GLN 47 3HG GLN 47 -18.174 20.384 1.206 417 1HE2 GLN 47 1HE2 GLN 47 -19.784 18.989 0.514 418 2HE2 GLN 47 2HE2 GLN 47 -21.414 19.485 0.072 419 H GLN 48 H GLN 48 -20.956 18.714 2.738 420 HA GLN 48 HA GLN 48 -23.064 18.122 2.669 421 1HB GLN 48 2HB GLN 48 -23.193 19.350 5.435 422 2HB GLN 48 3HB GLN 48 -24.365 18.224 4.724 423 1HG GLN 48 2HG GLN 48 -22.547 16.554 4.363 424 2HG GLN 48 3HG GLN 48 -21.394 17.657 5.130 425 1HE2 GLN 48 1HE2 GLN 48 -20.965 15.875 6.622 426 2HE2 GLN 48 2HE2 GLN 48 -22.062 15.627 7.983 427 H LYS 49 H LYS 49 -22.903 21.612 3.281 428 HA LYS 49 HA LYS 49 -25.618 22.180 2.760 429 1HB LYS 49 2HB LYS 49 -23.133 23.830 2.150 430 2HB LYS 49 3HB LYS 49 -24.796 24.446 2.164 431 1HG LYS 49 2HG LYS 49 -25.008 23.689 4.556 432 2HG LYS 49 3HG LYS 49 -23.286 23.290 4.563 433 1HD LYS 49 2HD LYS 49 -24.474 26.054 4.016 434 2HD LYS 49 3HD LYS 49 -23.778 25.509 5.550 435 1HE LYS 49 2HE LYS 49 -21.582 25.124 4.392 436 2HE LYS 49 3HE LYS 49 -22.275 25.802 2.905 437 1HZ LYS 49 1HZ LYS 49 -22.012 27.219 5.457 438 2HZ LYS 49 2HZ LYS 49 -21.069 27.429 4.122 439 3HZ LYS 49 3HZ LYS 49 -22.665 27.836 4.074 440 H SER 50 H SER 50 -22.881 21.940 0.462 441 HA SER 50 HA SER 50 -24.462 22.847 -1.761 442 1HB SER 50 2HB SER 50 -21.733 21.521 -1.860 443 2HB SER 50 3HB SER 50 -22.465 22.617 -3.041 444 HG SER 50 HG SER 50 -21.550 23.177 -0.417 445 H GLN 51 H GLN 51 -26.041 20.854 -1.012 446 HA GLN 51 HA GLN 51 -25.509 18.374 -2.453 447 1HB GLN 51 2HB GLN 51 -28.152 19.573 -1.515 448 2HB GLN 51 3HB GLN 51 -27.919 17.926 -2.113 449 1HG GLN 51 2HG GLN 51 -26.702 19.138 0.395 450 2HG GLN 51 3HG GLN 51 -28.004 17.952 0.330 451 1HE2 GLN 51 1HE2 GLN 51 -25.196 17.884 1.519 452 2HE2 GLN 51 2HE2 GLN 51 -24.516 16.370 0.907 453 H LYS 52 H LYS 52 -26.807 21.513 -3.281 454 HA LYS 52 HA LYS 52 -27.999 20.797 -5.813 455 1HB LYS 52 2HB LYS 52 -27.115 23.482 -4.651 456 2HB LYS 52 3HB LYS 52 -27.999 23.250 -6.154 457 1HG LYS 52 2HG LYS 52 -29.613 23.875 -4.591 458 2HG LYS 52 3HG LYS 52 -29.867 22.174 -4.934 459 1HD LYS 52 2HD LYS 52 -30.219 22.739 -2.566 460 2HD LYS 52 3HD LYS 52 -28.968 21.532 -2.756 461 1HE LYS 52 2HE LYS 52 -28.374 23.214 -1.046 462 2HE LYS 52 3HE LYS 52 -27.216 23.292 -2.370 463 1HZ LYS 52 1HZ LYS 52 -28.412 25.161 -3.239 464 2HZ LYS 52 2HZ LYS 52 -29.511 25.084 -2.010 465 3HZ LYS 52 3HZ LYS 52 -27.935 25.443 -1.687 466 H LYS 53 H LYS 53 -25.945 19.441 -6.239 467 HA LYS 53 HA LYS 53 -23.567 20.804 -7.136 468 1HB LYS 53 2HB LYS 53 -24.616 17.984 -7.533 469 2HB LYS 53 3HB LYS 53 -23.000 18.513 -8.028 470 1HG LYS 53 2HG LYS 53 -22.393 19.083 -5.749 471 2HG LYS 53 3HG LYS 53 -24.002 18.736 -5.144 472 1HD LYS 53 2HD LYS 53 -22.142 16.686 -6.427 473 2HD LYS 53 3HD LYS 53 -22.322 16.940 -4.689 474 1HE LYS 53 2HE LYS 53 -24.499 15.949 -6.596 475 2HE LYS 53 3HE LYS 53 -23.626 15.001 -5.394 476 1HZ LYS 53 1HZ LYS 53 -25.737 15.625 -4.570 477 2HZ LYS 53 2HZ LYS 53 -24.594 16.418 -3.692 478 3HZ LYS 53 3HZ LYS 53 -25.469 17.224 -4.832 479 HA PRO 54 HA PRO 54 -25.283 21.833 -11.152 480 1HB PRO 54 2HB PRO 54 -23.073 22.705 -12.472 481 2HB PRO 54 3HB PRO 54 -23.724 23.557 -11.047 482 1HG PRO 54 2HG PRO 54 -21.475 21.518 -11.076 483 2HG PRO 54 3HG PRO 54 -21.445 23.161 -10.365 484 1HD PRO 54 2HD PRO 54 -21.991 20.959 -8.867 485 2HD PRO 54 3HD PRO 54 -22.852 22.505 -8.582 486 H GLU 55 H GLU 55 -25.619 19.331 -11.072 487 HA GLU 55 HA GLU 55 -23.995 17.500 -12.404 488 1HB GLU 55 2HB GLU 55 -26.158 16.272 -12.899 489 2HB GLU 55 3HB GLU 55 -25.848 16.687 -11.216 490 1HG GLU 55 2HG GLU 55 -28.192 17.020 -11.775 491 2HG GLU 55 3HG GLU 55 -27.463 18.549 -11.313 Start of MODEL 8 1 1H MET 1 H MET 1 -16.387 11.255 11.835 2 HA MET 1 HA MET 1 -16.671 10.463 9.438 3 1HB MET 1 2HB MET 1 -15.438 12.564 10.154 4 2HB MET 1 3HB MET 1 -13.933 11.631 10.081 5 1HG MET 1 2HG MET 1 -14.304 11.250 7.657 6 2HG MET 1 3HG MET 1 -15.891 12.018 7.771 7 1HE MET 1 1HE MET 1 -11.885 14.295 8.057 8 2HE MET 1 2HE MET 1 -12.479 13.316 9.413 9 3HE MET 1 3HE MET 1 -12.016 12.530 7.881 10 H ALA 2 H ALA 2 -14.673 8.658 11.480 11 HA ALA 2 HA ALA 2 -12.857 7.317 9.826 12 1HB ALA 2 1HB ALA 2 -12.977 7.015 12.260 13 2HB ALA 2 2HB ALA 2 -14.531 6.163 12.096 14 3HB ALA 2 3HB ALA 2 -13.047 5.453 11.421 15 H SER 3 H SER 3 -16.370 6.845 10.129 16 HA SER 3 HA SER 3 -16.777 4.490 8.607 17 1HB SER 3 2HB SER 3 -19.007 5.770 8.183 18 2HB SER 3 3HB SER 3 -18.575 5.414 9.868 19 HG SER 3 HG SER 3 -19.168 7.634 9.567 20 H VAL 4 H VAL 4 -17.101 7.885 7.649 21 HA VAL 4 HA VAL 4 -17.333 7.535 4.875 22 HB VAL 4 HB VAL 4 -16.145 9.881 6.416 23 1HG1 VAL 4 1HG1 VAL 4 -16.780 11.208 4.386 24 2HG1 VAL 4 2HG1 VAL 4 -15.438 10.097 4.114 25 3HG1 VAL 4 3HG1 VAL 4 -17.060 9.677 3.523 26 1HG2 VAL 4 1HG2 VAL 4 -18.948 9.338 5.347 27 2HG2 VAL 4 2HG2 VAL 4 -18.475 9.358 7.058 28 3HG2 VAL 4 3HG2 VAL 4 -18.408 10.848 6.113 29 H LEU 5 H LEU 5 -14.323 8.177 6.749 30 HA LEU 5 HA LEU 5 -12.522 8.040 4.561 31 1HB LEU 5 2HB LEU 5 -12.118 7.144 7.442 32 2HB LEU 5 3HB LEU 5 -10.824 7.331 6.258 33 HG LEU 5 HG LEU 5 -12.626 9.590 7.237 34 1HD1 LEU 5 1HD1 LEU 5 -9.723 8.929 7.879 35 2HD1 LEU 5 2HD1 LEU 5 -10.620 10.355 8.441 36 3HD1 LEU 5 3HD1 LEU 5 -11.100 8.740 8.985 37 1HD2 LEU 5 1HD2 LEU 5 -11.846 10.107 4.985 38 2HD2 LEU 5 2HD2 LEU 5 -10.894 11.042 6.138 39 3HD2 LEU 5 3HD2 LEU 5 -10.194 9.588 5.398 40 H GLU 6 H GLU 6 -13.710 5.352 6.655 41 HA GLU 6 HA GLU 6 -12.224 3.366 5.315 42 1HB GLU 6 2HB GLU 6 -13.293 3.097 7.549 43 2HB GLU 6 3HB GLU 6 -14.885 3.052 6.773 44 1HG GLU 6 2HG GLU 6 -14.105 0.787 7.279 45 2HG GLU 6 3HG GLU 6 -14.206 0.993 5.529 46 H GLU 7 H GLU 7 -15.563 4.550 4.721 47 HA GLU 7 HA GLU 7 -16.271 2.765 2.634 48 1HB GLU 7 2HB GLU 7 -17.006 5.687 3.095 49 2HB GLU 7 3HB GLU 7 -17.771 4.662 1.881 50 1HG GLU 7 2HG GLU 7 -18.745 3.230 3.514 51 2HG GLU 7 3HG GLU 7 -17.724 3.847 4.812 52 H LEU 8 H LEU 8 -14.681 5.990 2.439 53 HA LEU 8 HA LEU 8 -14.337 5.934 -0.401 54 1HB LEU 8 2HB LEU 8 -12.756 7.398 1.737 55 2HB LEU 8 3HB LEU 8 -12.669 7.753 0.006 56 HG LEU 8 HG LEU 8 -15.274 7.953 1.586 57 1HD1 LEU 8 1HD1 LEU 8 -14.827 10.380 1.632 58 2HD1 LEU 8 2HD1 LEU 8 -13.600 9.476 2.539 59 3HD1 LEU 8 3HD1 LEU 8 -13.222 10.092 0.918 60 1HD2 LEU 8 1HD2 LEU 8 -14.459 9.130 -1.096 61 2HD2 LEU 8 2HD2 LEU 8 -15.569 7.761 -0.872 62 3HD2 LEU 8 3HD2 LEU 8 -16.004 9.362 -0.266 63 H GLN 9 H GLN 9 -12.158 4.893 2.257 64 HA GLN 9 HA GLN 9 -9.955 4.127 0.659 65 1HB GLN 9 2HB GLN 9 -9.899 4.358 3.103 66 2HB GLN 9 3HB GLN 9 -10.963 2.953 3.279 67 1HG GLN 9 2HG GLN 9 -9.232 1.492 2.274 68 2HG GLN 9 3HG GLN 9 -8.202 2.905 1.987 69 1HE2 GLN 9 1HE2 GLN 9 -10.075 1.442 4.762 70 2HE2 GLN 9 2HE2 GLN 9 -8.755 1.653 5.900 71 H LYS 10 H LYS 10 -12.811 2.231 1.717 72 HA LYS 10 HA LYS 10 -12.097 -0.236 0.527 73 1HB LYS 10 2HB LYS 10 -13.792 0.094 2.241 74 2HB LYS 10 3HB LYS 10 -14.837 0.971 1.143 75 1HG LYS 10 2HG LYS 10 -13.946 -1.930 0.761 76 2HG LYS 10 3HG LYS 10 -15.392 -1.457 1.648 77 1HD LYS 10 2HD LYS 10 -14.920 -1.053 -1.333 78 2HD LYS 10 3HD LYS 10 -16.016 -2.181 -0.549 79 1HE LYS 10 2HE LYS 10 -17.255 -0.196 0.442 80 2HE LYS 10 3HE LYS 10 -16.251 0.862 -0.572 81 1HZ LYS 10 1HZ LYS 10 -18.034 -1.245 -1.543 82 2HZ LYS 10 2HZ LYS 10 -18.295 0.380 -1.629 83 3HZ LYS 10 3HZ LYS 10 -17.063 -0.308 -2.486 84 H ASP 11 H ASP 11 -14.110 2.476 -0.724 85 HA ASP 11 HA ASP 11 -14.606 1.412 -3.290 86 1HB ASP 11 2HB ASP 11 -15.702 3.420 -2.315 87 2HB ASP 11 3HB ASP 11 -14.205 4.338 -2.529 88 H LEU 12 H LEU 12 -11.939 3.559 -2.236 89 HA LEU 12 HA LEU 12 -10.428 3.721 -4.569 90 1HB LEU 12 2HB LEU 12 -10.016 5.035 -2.623 91 2HB LEU 12 3HB LEU 12 -9.513 3.635 -1.683 92 HG LEU 12 HG LEU 12 -7.993 4.077 -4.216 93 1HD1 LEU 12 1HD1 LEU 12 -8.241 6.391 -3.430 94 2HD1 LEU 12 2HD1 LEU 12 -7.710 5.916 -1.801 95 3HD1 LEU 12 3HD1 LEU 12 -6.584 5.823 -3.172 96 1HD2 LEU 12 1HD2 LEU 12 -7.178 3.489 -1.318 97 2HD2 LEU 12 2HD2 LEU 12 -7.419 2.261 -2.569 98 3HD2 LEU 12 3HD2 LEU 12 -6.111 3.442 -2.735 99 H GLU 13 H GLU 13 -10.260 1.207 -1.994 100 HA GLU 13 HA GLU 13 -8.230 -0.351 -3.180 101 1HB GLU 13 2HB GLU 13 -9.067 -0.528 -0.828 102 2HB GLU 13 3HB GLU 13 -10.516 -1.349 -1.429 103 1HG GLU 13 2HG GLU 13 -9.102 -3.160 -2.373 104 2HG GLU 13 3HG GLU 13 -7.645 -2.311 -1.827 105 H GLU 14 H GLU 14 -11.820 -0.621 -3.514 106 HA GLU 14 HA GLU 14 -11.816 -2.844 -5.272 107 1HB GLU 14 2HB GLU 14 -13.743 -0.500 -5.077 108 2HB GLU 14 3HB GLU 14 -14.006 -1.908 -6.112 109 1HG GLU 14 2HG GLU 14 -13.929 -3.423 -4.189 110 2HG GLU 14 3HG GLU 14 -13.607 -2.075 -3.095 111 H VAL 15 H VAL 15 -11.753 0.687 -6.163 112 HA VAL 15 HA VAL 15 -11.500 0.022 -8.941 113 HB VAL 15 HB VAL 15 -12.292 2.165 -8.387 114 1HG1 VAL 15 1HG1 VAL 15 -9.509 2.787 -7.287 115 2HG1 VAL 15 2HG1 VAL 15 -10.757 3.998 -7.624 116 3HG1 VAL 15 3HG1 VAL 15 -11.058 2.754 -6.407 117 1HG2 VAL 15 1HG2 VAL 15 -11.077 3.467 -10.024 118 2HG2 VAL 15 2HG2 VAL 15 -9.623 2.470 -9.833 119 3HG2 VAL 15 3HG2 VAL 15 -11.088 1.775 -10.555 120 H LYS 16 H LYS 16 -8.974 0.459 -6.423 121 HA LYS 16 HA LYS 16 -6.752 0.352 -8.168 122 1HB LYS 16 2HB LYS 16 -6.784 0.868 -5.710 123 2HB LYS 16 3HB LYS 16 -6.922 -0.870 -5.386 124 1HG LYS 16 2HG LYS 16 -4.771 -1.167 -6.736 125 2HG LYS 16 3HG LYS 16 -4.634 0.596 -6.767 126 1HD LYS 16 2HD LYS 16 -4.690 -1.211 -4.303 127 2HD LYS 16 3HD LYS 16 -3.282 -0.368 -4.965 128 1HE LYS 16 2HE LYS 16 -4.473 1.832 -4.512 129 2HE LYS 16 3HE LYS 16 -5.747 0.916 -3.683 130 1HZ LYS 16 1HZ LYS 16 -4.099 0.088 -2.181 131 2HZ LYS 16 2HZ LYS 16 -2.914 0.950 -2.936 132 3HZ LYS 16 3HZ LYS 16 -4.138 1.736 -2.162 133 H VAL 17 H VAL 17 -8.461 -2.322 -6.484 134 HA VAL 17 HA VAL 17 -7.031 -4.492 -7.574 135 HB VAL 17 HB VAL 17 -9.881 -4.181 -6.561 136 1HG1 VAL 17 1HG1 VAL 17 -9.953 -6.677 -6.427 137 2HG1 VAL 17 2HG1 VAL 17 -10.004 -6.071 -8.087 138 3HG1 VAL 17 3HG1 VAL 17 -8.487 -6.733 -7.431 139 1HG2 VAL 17 1HG2 VAL 17 -7.433 -5.594 -5.411 140 2HG2 VAL 17 2HG2 VAL 17 -7.953 -3.968 -4.943 141 3HG2 VAL 17 3HG2 VAL 17 -8.999 -5.356 -4.610 142 H LEU 18 H LEU 18 -10.032 -2.936 -8.841 143 HA LEU 18 HA LEU 18 -10.158 -4.602 -11.167 144 1HB LEU 18 2HB LEU 18 -11.225 -1.809 -10.641 145 2HB LEU 18 3HB LEU 18 -11.609 -2.745 -12.090 146 HG LEU 18 HG LEU 18 -12.205 -3.724 -9.256 147 1HD1 LEU 18 1HD1 LEU 18 -14.024 -2.381 -11.291 148 2HD1 LEU 18 2HD1 LEU 18 -14.530 -3.083 -9.737 149 3HD1 LEU 18 3HD1 LEU 18 -13.460 -1.670 -9.760 150 1HD2 LEU 18 1HD2 LEU 18 -13.106 -4.690 -12.012 151 2HD2 LEU 18 2HD2 LEU 18 -12.092 -5.586 -10.860 152 3HD2 LEU 18 3HD2 LEU 18 -13.778 -5.253 -10.470 153 H LEU 19 H LEU 19 -8.664 -1.387 -10.721 154 HA LEU 19 HA LEU 19 -7.707 -0.918 -13.326 155 1HB LEU 19 2HB LEU 19 -7.678 0.763 -11.689 156 2HB LEU 19 3HB LEU 19 -6.686 -0.164 -10.579 157 HG LEU 19 HG LEU 19 -5.349 0.292 -13.185 158 1HD1 LEU 19 1HD1 LEU 19 -6.004 2.654 -11.373 159 2HD1 LEU 19 2HD1 LEU 19 -4.863 2.667 -12.736 160 3HD1 LEU 19 3HD1 LEU 19 -6.593 2.422 -13.034 161 1HD2 LEU 19 1HD2 LEU 19 -4.586 0.859 -10.289 162 2HD2 LEU 19 2HD2 LEU 19 -4.224 -0.638 -11.175 163 3HD2 LEU 19 3HD2 LEU 19 -3.491 0.890 -11.689 164 H GLU 20 H GLU 20 -6.158 -2.768 -10.630 165 HA GLU 20 HA GLU 20 -3.856 -3.548 -12.138 166 1HB GLU 20 2HB GLU 20 -5.246 -4.832 -9.754 167 2HB GLU 20 3HB GLU 20 -3.702 -5.388 -10.412 168 1HG GLU 20 2HG GLU 20 -2.628 -3.278 -9.918 169 2HG GLU 20 3HG GLU 20 -4.155 -2.528 -9.452 170 H LYS 21 H LYS 21 -6.831 -5.472 -11.410 171 HA LYS 21 HA LYS 21 -5.933 -7.702 -12.991 172 1HB LYS 21 2HB LYS 21 -8.657 -6.923 -11.865 173 2HB LYS 21 3HB LYS 21 -8.334 -8.459 -12.688 174 1HG LYS 21 2HG LYS 21 -6.662 -9.076 -11.044 175 2HG LYS 21 3HG LYS 21 -6.806 -7.503 -10.228 176 1HD LYS 21 2HD LYS 21 -9.047 -7.958 -9.504 177 2HD LYS 21 3HD LYS 21 -9.204 -9.346 -10.583 178 1HE LYS 21 2HE LYS 21 -8.861 -10.049 -8.225 179 2HE LYS 21 3HE LYS 21 -7.609 -10.657 -9.319 180 1HZ LYS 21 1HZ LYS 21 -7.332 -8.335 -7.543 181 2HZ LYS 21 2HZ LYS 21 -6.682 -9.827 -7.301 182 3HZ LYS 21 3HZ LYS 21 -6.175 -8.907 -8.568 183 H SER 22 H SER 22 -8.564 -5.329 -13.603 184 HA SER 22 HA SER 22 -8.975 -6.358 -16.312 185 1HB SER 22 2HB SER 22 -10.290 -4.027 -14.879 186 2HB SER 22 3HB SER 22 -10.866 -4.890 -16.318 187 HG SER 22 HG SER 22 -10.902 -6.803 -14.908 188 H THR 23 H THR 23 -6.404 -5.527 -16.302 189 HA THR 23 HA THR 23 -5.844 -2.784 -16.781 190 HB THR 23 HB THR 23 -3.813 -4.471 -17.904 191 HG1 THR 23 HG1 THR 23 -4.516 -5.544 -15.426 192 1HG2 THR 23 1HG2 THR 23 -2.532 -3.908 -15.957 193 2HG2 THR 23 2HG2 THR 23 -3.387 -2.480 -16.567 194 3HG2 THR 23 3HG2 THR 23 -3.976 -3.322 -15.117 195 H ARG 24 H ARG 24 -8.012 -3.313 -18.430 196 HA ARG 24 HA ARG 24 -7.021 -3.501 -21.207 197 1HB ARG 24 2HB ARG 24 -9.873 -3.148 -20.280 198 2HB ARG 24 3HB ARG 24 -9.297 -3.812 -21.808 199 1HG ARG 24 2HG ARG 24 -9.159 -5.175 -19.065 200 2HG ARG 24 3HG ARG 24 -10.324 -5.467 -20.340 201 1HD ARG 24 2HD ARG 24 -8.836 -7.268 -20.523 202 2HD ARG 24 3HD ARG 24 -8.425 -6.193 -21.851 203 HE ARG 24 HE ARG 24 -6.353 -5.837 -20.941 204 1HH1 ARG 24 1HH2 ARG 24 -8.336 -7.360 -18.417 205 2HH1 ARG 24 2HH2 ARG 24 -7.016 -7.455 -17.267 206 1HH2 ARG 24 1HH1 ARG 24 -4.643 -6.134 -19.538 207 2HH2 ARG 24 2HH1 ARG 24 -4.915 -6.621 -17.886 208 H LYS 25 H LYS 25 -8.665 -1.794 -22.487 209 HA LYS 25 HA LYS 25 -7.696 0.790 -22.240 210 1HB LYS 25 2HB LYS 25 -9.017 -0.264 -24.110 211 2HB LYS 25 3HB LYS 25 -10.489 -0.022 -23.134 212 1HG LYS 25 2HG LYS 25 -10.179 2.387 -23.181 213 2HG LYS 25 3HG LYS 25 -8.663 2.225 -24.081 214 1HD LYS 25 2HD LYS 25 -11.475 1.420 -25.000 215 2HD LYS 25 3HD LYS 25 -10.605 2.872 -25.498 216 1HE LYS 25 2HE LYS 25 -9.861 -0.012 -26.178 217 2HE LYS 25 3HE LYS 25 -10.498 1.222 -27.266 218 1HZ LYS 25 1HZ LYS 25 -8.511 2.503 -26.895 219 2HZ LYS 25 2HZ LYS 25 -7.901 1.331 -25.907 220 3HZ LYS 25 3HZ LYS 25 -8.157 1.012 -27.503 221 H ARG 26 H ARG 26 -10.266 -0.745 -20.359 222 HA ARG 26 HA ARG 26 -11.777 1.548 -19.799 223 1HB ARG 26 2HB ARG 26 -12.899 0.301 -18.156 224 2HB ARG 26 3HB ARG 26 -12.608 -0.746 -19.536 225 1HG ARG 26 2HG ARG 26 -10.890 -1.990 -18.384 226 2HG ARG 26 3HG ARG 26 -10.766 -0.797 -17.087 227 1HD ARG 26 2HD ARG 26 -13.220 -2.494 -17.615 228 2HD ARG 26 3HD ARG 26 -12.013 -2.757 -16.332 229 HE ARG 26 HE ARG 26 -12.816 -0.121 -16.007 230 1HH1 ARG 26 1HH2 ARG 26 -14.417 -3.262 -15.792 231 2HH1 ARG 26 2HH2 ARG 26 -15.787 -2.635 -14.912 232 1HH2 ARG 26 1HH1 ARG 26 -14.475 0.690 -14.978 233 2HH2 ARG 26 2HH1 ARG 26 -15.830 -0.274 -14.391 234 H LEU 27 H LEU 27 -8.727 0.659 -18.354 235 HA LEU 27 HA LEU 27 -8.974 1.530 -15.749 236 1HB LEU 27 2HB LEU 27 -6.695 1.532 -17.723 237 2HB LEU 27 3HB LEU 27 -6.501 2.424 -16.198 238 HG LEU 27 HG LEU 27 -6.838 0.615 -14.832 239 1HD1 LEU 27 1HD1 LEU 27 -7.275 -1.657 -15.586 240 2HD1 LEU 27 2HD1 LEU 27 -8.622 -0.628 -16.003 241 3HD1 LEU 27 3HD1 LEU 27 -7.461 -1.090 -17.264 242 1HD2 LEU 27 1HD2 LEU 27 -5.050 -0.217 -17.166 243 2HD2 LEU 27 2HD2 LEU 27 -4.595 0.902 -15.862 244 3HD2 LEU 27 3HD2 LEU 27 -4.914 -0.797 -15.494 245 H ARG 28 H ARG 28 -8.034 3.778 -18.435 246 HA ARG 28 HA ARG 28 -7.821 5.989 -16.668 247 1HB ARG 28 2HB ARG 28 -8.507 6.081 -19.632 248 2HB ARG 28 3HB ARG 28 -7.928 7.396 -18.630 249 1HG ARG 28 2HG ARG 28 -6.058 6.713 -19.828 250 2HG ARG 28 3HG ARG 28 -5.795 6.152 -18.186 251 1HD ARG 28 2HD ARG 28 -5.136 4.576 -20.136 252 2HD ARG 28 3HD ARG 28 -6.023 3.876 -18.801 253 HE ARG 28 HE ARG 28 -7.709 3.312 -20.283 254 1HH1 ARG 28 1HH1 ARG 28 -5.848 5.884 -21.826 255 2HH1 ARG 28 2HH1 ARG 28 -7.012 6.123 -23.104 256 1HH2 ARG 28 2HH2 ARG 28 -9.229 3.685 -21.751 257 2HH2 ARG 28 1HH2 ARG 28 -9.038 4.845 -23.061 258 H ASP 29 H ASP 29 -10.535 4.833 -18.709 259 HA ASP 29 HA ASP 29 -12.376 6.907 -18.184 260 1HB ASP 29 2HB ASP 29 -13.030 3.943 -18.574 261 2HB ASP 29 3HB ASP 29 -14.070 5.325 -18.915 262 H THR 30 H THR 30 -11.924 3.782 -16.578 263 HA THR 30 HA THR 30 -13.963 4.026 -14.621 264 HB THR 30 HB THR 30 -11.406 2.356 -14.574 265 HG1 THR 30 HG1 THR 30 -12.605 1.977 -16.407 266 1HG2 THR 30 1HG2 THR 30 -14.078 1.981 -13.142 267 2HG2 THR 30 2HG2 THR 30 -12.735 0.816 -13.174 268 3HG2 THR 30 3HG2 THR 30 -12.532 2.382 -12.370 269 H LEU 31 H LEU 31 -10.438 4.669 -14.465 270 HA LEU 31 HA LEU 31 -10.292 5.423 -11.762 271 1HB LEU 31 2HB LEU 31 -8.381 4.872 -13.171 272 2HB LEU 31 3HB LEU 31 -8.633 6.297 -14.172 273 HG LEU 31 HG LEU 31 -6.753 6.371 -12.538 274 1HD1 LEU 31 1HD1 LEU 31 -8.701 8.637 -12.003 275 2HD1 LEU 31 2HD1 LEU 31 -6.938 8.655 -11.970 276 3HD1 LEU 31 3HD1 LEU 31 -7.780 8.442 -13.512 277 1HD2 LEU 31 1HD2 LEU 31 -8.880 6.705 -10.386 278 2HD2 LEU 31 2HD2 LEU 31 -7.893 5.246 -10.638 279 3HD2 LEU 31 3HD2 LEU 31 -7.123 6.778 -10.186 280 H THR 32 H THR 32 -10.723 7.478 -14.709 281 HA THR 32 HA THR 32 -10.924 9.935 -13.344 282 HB THR 32 HB THR 32 -12.328 9.135 -15.935 283 HG1 THR 32 HG1 THR 32 -10.155 8.725 -16.105 284 1HG2 THR 32 1HG2 THR 32 -13.094 11.332 -15.057 285 2HG2 THR 32 2HG2 THR 32 -11.402 11.844 -14.865 286 3HG2 THR 32 3HG2 THR 32 -12.063 11.537 -16.483 287 H SER 33 H SER 33 -13.553 7.690 -14.360 288 HA SER 33 HA SER 33 -15.716 9.170 -13.310 289 1HB SER 33 2HB SER 33 -15.925 7.216 -14.818 290 2HB SER 33 3HB SER 33 -15.421 6.137 -13.503 291 HG SER 33 HG SER 33 -17.717 6.311 -13.705 292 H GLU 34 H GLU 34 -13.912 6.457 -11.748 293 HA GLU 34 HA GLU 34 -15.375 6.598 -9.360 294 1HB GLU 34 2HB GLU 34 -13.868 4.677 -10.184 295 2HB GLU 34 3HB GLU 34 -12.505 5.621 -9.556 296 1HG GLU 34 2HG GLU 34 -13.105 4.157 -7.773 297 2HG GLU 34 3HG GLU 34 -13.831 5.684 -7.311 298 H LYS 35 H LYS 35 -12.258 8.158 -10.246 299 HA LYS 35 HA LYS 35 -11.695 9.394 -7.774 300 1HB LYS 35 2HB LYS 35 -10.147 9.303 -9.642 301 2HB LYS 35 3HB LYS 35 -11.176 10.368 -10.613 302 1HG LYS 35 2HG LYS 35 -10.858 12.206 -9.038 303 2HG LYS 35 3HG LYS 35 -9.916 11.183 -7.947 304 1HD LYS 35 2HD LYS 35 -9.128 11.793 -10.836 305 2HD LYS 35 3HD LYS 35 -8.612 12.763 -9.446 306 1HE LYS 35 2HE LYS 35 -7.509 10.791 -8.434 307 2HE LYS 35 3HE LYS 35 -7.985 9.794 -9.821 308 1HZ LYS 35 1HZ LYS 35 -5.765 10.590 -10.027 309 2HZ LYS 35 2HZ LYS 35 -6.706 11.219 -11.224 310 3HZ LYS 35 3HZ LYS 35 -6.261 12.159 -9.945 311 H SER 36 H SER 36 -13.715 10.540 -10.534 312 HA SER 36 HA SER 36 -14.477 13.005 -9.366 313 1HB SER 36 2HB SER 36 -16.165 11.287 -11.236 314 2HB SER 36 3HB SER 36 -16.321 13.021 -10.925 315 HG SER 36 HG SER 36 -14.085 11.689 -12.087 316 H LYS 37 H LYS 37 -16.170 9.811 -9.213 317 HA LYS 37 HA LYS 37 -18.263 10.618 -7.484 318 1HB LYS 37 2HB LYS 37 -16.931 7.939 -7.999 319 2HB LYS 37 3HB LYS 37 -18.112 8.138 -6.710 320 1HG LYS 37 2HG LYS 37 -19.322 7.330 -8.508 321 2HG LYS 37 3HG LYS 37 -19.773 9.031 -8.354 322 1HD LYS 37 2HD LYS 37 -18.191 9.562 -10.249 323 2HD LYS 37 3HD LYS 37 -17.835 7.831 -10.394 324 1HE LYS 37 2HE LYS 37 -20.577 9.120 -10.772 325 2HE LYS 37 3HE LYS 37 -19.475 8.610 -12.065 326 1HZ LYS 37 1HZ LYS 37 -19.633 6.376 -11.250 327 2HZ LYS 37 2HZ LYS 37 -20.697 6.834 -10.077 328 3HZ LYS 37 3HZ LYS 37 -21.117 6.962 -11.664 329 H ILE 38 H ILE 38 -15.129 9.116 -6.579 330 HA ILE 38 HA ILE 38 -15.344 9.148 -3.804 331 HB ILE 38 HB ILE 38 -12.972 9.516 -5.657 332 1HG1 ILE 38 2HG1 ILE 38 -13.721 7.194 -3.821 333 2HG1 ILE 38 3HG1 ILE 38 -14.254 7.301 -5.496 334 1HG2 ILE 38 1HG2 ILE 38 -12.810 9.141 -2.640 335 2HG2 ILE 38 2HG2 ILE 38 -11.449 9.159 -3.768 336 3HG2 ILE 38 3HG2 ILE 38 -12.362 10.626 -3.506 337 1HD1 ILE 38 1HD1 ILE 38 -11.359 7.118 -4.552 338 2HD1 ILE 38 2HD1 ILE 38 -12.286 5.895 -5.408 339 3HD1 ILE 38 3HD1 ILE 38 -11.860 7.400 -6.237 340 H GLU 39 H GLU 39 -13.990 11.783 -5.872 341 HA GLU 39 HA GLU 39 -13.590 13.614 -3.737 342 1HB GLU 39 2HB GLU 39 -14.040 14.011 -6.719 343 2HB GLU 39 3HB GLU 39 -13.640 15.334 -5.608 344 1HG GLU 39 2HG GLU 39 -11.549 14.269 -4.959 345 2HG GLU 39 3HG GLU 39 -11.923 12.827 -5.908 346 H THR 40 H THR 40 -16.379 13.254 -5.958 347 HA THR 40 HA THR 40 -17.935 15.411 -5.035 348 HB THR 40 HB THR 40 -18.812 12.701 -6.134 349 HG1 THR 40 HG1 THR 40 -17.450 13.825 -7.519 350 1HG2 THR 40 1HG2 THR 40 -20.802 13.882 -6.927 351 2HG2 THR 40 2HG2 THR 40 -20.753 13.841 -5.157 352 3HG2 THR 40 3HG2 THR 40 -20.322 15.339 -6.028 353 H GLU 41 H GLU 41 -17.925 12.005 -3.920 354 HA GLU 41 HA GLU 41 -19.893 12.367 -1.866 355 1HB GLU 41 2HB GLU 41 -17.711 10.266 -2.275 356 2HB GLU 41 3HB GLU 41 -18.956 10.174 -1.021 357 1HG GLU 41 2HG GLU 41 -19.522 10.286 -4.023 358 2HG GLU 41 3HG GLU 41 -19.530 8.831 -3.025 359 H LEU 42 H LEU 42 -16.303 12.124 -1.681 360 HA LEU 42 HA LEU 42 -15.958 12.546 1.042 361 1HB LEU 42 2HB LEU 42 -14.119 11.947 -0.375 362 2HB LEU 42 3HB LEU 42 -14.316 13.385 -1.368 363 HG LEU 42 HG LEU 42 -13.565 14.834 0.467 364 1HD1 LEU 42 1HD1 LEU 42 -13.060 12.248 2.011 365 2HD1 LEU 42 2HD1 LEU 42 -12.569 13.878 2.503 366 3HD1 LEU 42 3HD1 LEU 42 -14.286 13.463 2.432 367 1HD2 LEU 42 1HD2 LEU 42 -11.952 13.924 -1.150 368 2HD2 LEU 42 2HD2 LEU 42 -11.214 14.126 0.449 369 3HD2 LEU 42 3HD2 LEU 42 -11.689 12.508 -0.110 370 H LYS 43 H LYS 43 -16.211 15.072 -1.538 371 HA LYS 43 HA LYS 43 -16.024 17.259 0.230 372 1HB LYS 43 2HB LYS 43 -15.870 17.209 -2.359 373 2HB LYS 43 3HB LYS 43 -17.634 17.224 -2.354 374 1HG LYS 43 2HG LYS 43 -17.044 19.473 -2.594 375 2HG LYS 43 3HG LYS 43 -17.408 19.353 -0.866 376 1HD LYS 43 2HD LYS 43 -14.887 19.021 -0.477 377 2HD LYS 43 3HD LYS 43 -14.641 19.336 -2.197 378 1HE LYS 43 2HE LYS 43 -15.881 21.254 -0.163 379 2HE LYS 43 3HE LYS 43 -14.232 21.338 -0.795 380 1HZ LYS 43 1HZ LYS 43 -15.709 22.841 -1.900 381 2HZ LYS 43 2HZ LYS 43 -15.118 21.725 -2.964 382 3HZ LYS 43 3HZ LYS 43 -16.667 21.607 -2.404 383 H ASN 44 H ASN 44 -18.988 15.683 -1.162 384 HA ASN 44 HA ASN 44 -20.772 17.376 0.226 385 1HB ASN 44 2HB ASN 44 -21.106 14.694 -1.104 386 2HB ASN 44 3HB ASN 44 -22.409 15.355 -0.118 387 1HD2 ASN 44 2HD2 ASN 44 -20.450 15.937 -2.994 388 2HD2 ASN 44 1HD2 ASN 44 -21.485 17.200 -3.659 389 H LYS 45 H LYS 45 -19.318 14.328 1.371 390 HA LYS 45 HA LYS 45 -20.975 14.028 3.669 391 1HB LYS 45 2HB LYS 45 -18.073 13.305 3.140 392 2HB LYS 45 3HB LYS 45 -18.923 12.842 4.616 393 1HG LYS 45 2HG LYS 45 -19.917 12.080 1.828 394 2HG LYS 45 3HG LYS 45 -18.820 11.091 2.792 395 1HD LYS 45 2HD LYS 45 -20.568 11.093 4.641 396 2HD LYS 45 3HD LYS 45 -21.681 11.872 3.498 397 1HE LYS 45 2HE LYS 45 -21.421 9.959 1.933 398 2HE LYS 45 3HE LYS 45 -20.288 9.184 3.056 399 1HZ LYS 45 1HZ LYS 45 -22.470 8.306 3.282 400 2HZ LYS 45 2HZ LYS 45 -22.042 9.086 4.668 401 3HZ LYS 45 3HZ LYS 45 -23.101 9.792 3.619 402 H MET 46 H MET 46 -18.209 16.188 3.060 403 HA MET 46 HA MET 46 -18.296 17.173 5.876 404 1HB MET 46 2HB MET 46 -16.436 17.841 3.559 405 2HB MET 46 3HB MET 46 -16.299 18.435 5.225 406 1HG MET 46 2HG MET 46 -16.074 16.065 5.997 407 2HG MET 46 3HG MET 46 -16.094 15.529 4.314 408 1HE MET 46 1HE MET 46 -12.714 16.965 2.946 409 2HE MET 46 2HE MET 46 -14.237 16.140 2.543 410 3HE MET 46 3HE MET 46 -14.234 17.880 2.925 411 H GLN 47 H GLN 47 -18.102 18.657 2.658 412 HA GLN 47 HA GLN 47 -19.778 20.977 3.482 413 1HB GLN 47 2HB GLN 47 -17.519 21.445 2.596 414 2HB GLN 47 3HB GLN 47 -17.886 20.507 1.153 415 1HG GLN 47 2HG GLN 47 -19.986 22.447 1.346 416 2HG GLN 47 3HG GLN 47 -18.515 23.297 1.810 417 1HE2 GLN 47 1HE2 GLN 47 -19.556 20.867 -0.656 418 2HE2 GLN 47 2HE2 GLN 47 -18.798 21.694 -2.018 419 H GLN 48 H GLN 48 -21.602 19.390 3.425 420 HA GLN 48 HA GLN 48 -22.652 18.185 1.100 421 1HB GLN 48 2HB GLN 48 -23.544 18.076 3.496 422 2HB GLN 48 3HB GLN 48 -24.160 19.705 3.252 423 1HG GLN 48 2HG GLN 48 -25.987 18.275 2.906 424 2HG GLN 48 3HG GLN 48 -25.532 18.845 1.304 425 1HE2 GLN 48 1HE2 GLN 48 -23.254 16.404 2.333 426 2HE2 GLN 48 2HE2 GLN 48 -24.115 15.065 1.602 427 H LYS 49 H LYS 49 -23.628 18.952 -0.771 428 HA LYS 49 HA LYS 49 -23.625 21.803 -1.356 429 1HB LYS 49 2HB LYS 49 -24.849 19.413 -2.763 430 2HB LYS 49 3HB LYS 49 -24.860 21.072 -3.406 431 1HG LYS 49 2HG LYS 49 -22.383 21.153 -3.246 432 2HG LYS 49 3HG LYS 49 -22.357 19.477 -2.717 433 1HD LYS 49 2HD LYS 49 -23.275 20.558 -5.420 434 2HD LYS 49 3HD LYS 49 -21.854 19.556 -5.088 435 1HE LYS 49 2HE LYS 49 -23.499 17.732 -4.285 436 2HE LYS 49 3HE LYS 49 -24.796 18.744 -4.938 437 1HZ LYS 49 1HZ LYS 49 -24.087 17.108 -6.496 438 2HZ LYS 49 2HZ LYS 49 -23.762 18.616 -7.074 439 3HZ LYS 49 3HZ LYS 49 -22.543 17.677 -6.482 440 H SER 50 H SER 50 -24.726 22.283 0.681 441 HA SER 50 HA SER 50 -26.419 23.018 1.892 442 1HB SER 50 2HB SER 50 -28.152 22.864 -0.623 443 2HB SER 50 3HB SER 50 -28.566 23.685 0.893 444 HG SER 50 HG SER 50 -26.268 24.231 -0.689 445 H GLN 51 H GLN 51 -28.298 20.797 -0.198 446 HA GLN 51 HA GLN 51 -28.376 18.538 1.373 447 1HB GLN 51 2HB GLN 51 -29.482 19.936 3.135 448 2HB GLN 51 3HB GLN 51 -30.729 20.404 1.979 449 1HG GLN 51 2HG GLN 51 -31.553 18.107 1.883 450 2HG GLN 51 3HG GLN 51 -30.167 17.527 2.828 451 1HE2 GLN 51 1HE2 GLN 51 -29.932 18.788 5.066 452 2HE2 GLN 51 2HE2 GLN 51 -31.453 18.944 5.930 453 H LYS 52 H LYS 52 -29.870 17.001 0.352 454 HA LYS 52 HA LYS 52 -30.495 17.616 -2.387 455 1HB LYS 52 2HB LYS 52 -29.735 15.408 -1.632 456 2HB LYS 52 3HB LYS 52 -31.182 15.225 -0.635 457 1HG LYS 52 2HG LYS 52 -31.340 13.936 -2.691 458 2HG LYS 52 3HG LYS 52 -32.602 15.167 -2.635 459 1HD LYS 52 2HD LYS 52 -31.341 16.580 -4.228 460 2HD LYS 52 3HD LYS 52 -29.957 15.476 -4.143 461 1HE LYS 52 2HE LYS 52 -31.229 15.106 -6.200 462 2HE LYS 52 3HE LYS 52 -31.318 13.674 -5.164 463 1HZ LYS 52 1HZ LYS 52 -33.482 14.395 -4.459 464 2HZ LYS 52 2HZ LYS 52 -33.389 15.749 -5.395 465 3HZ LYS 52 3HZ LYS 52 -33.435 14.259 -6.099 466 H LYS 53 H LYS 53 -31.794 19.514 -1.878 467 HA LYS 53 HA LYS 53 -33.756 20.626 -1.997 468 1HB LYS 53 2HB LYS 53 -34.413 18.885 -3.582 469 2HB LYS 53 3HB LYS 53 -35.175 17.967 -2.271 470 1HG LYS 53 2HG LYS 53 -36.634 19.955 -1.781 471 2HG LYS 53 3HG LYS 53 -35.930 20.799 -3.157 472 1HD LYS 53 2HD LYS 53 -37.493 18.170 -3.210 473 2HD LYS 53 3HD LYS 53 -38.135 19.756 -3.643 474 1HE LYS 53 2HE LYS 53 -35.951 18.224 -5.137 475 2HE LYS 53 3HE LYS 53 -37.620 18.477 -5.656 476 1HZ LYS 53 1HZ LYS 53 -37.186 20.828 -5.729 477 2HZ LYS 53 2HZ LYS 53 -35.618 20.587 -5.279 478 3HZ LYS 53 3HZ LYS 53 -36.160 20.001 -6.720 479 HA PRO 54 HA PRO 54 -34.496 19.888 2.520 480 1HB PRO 54 2HB PRO 54 -33.972 22.396 3.438 481 2HB PRO 54 3HB PRO 54 -32.678 21.240 3.045 482 1HG PRO 54 2HG PRO 54 -33.758 23.458 1.293 483 2HG PRO 54 3HG PRO 54 -32.048 23.089 1.656 484 1HD PRO 54 2HD PRO 54 -33.309 22.247 -0.611 485 2HD PRO 54 3HD PRO 54 -32.056 21.244 0.169 486 H GLU 55 H GLU 55 -36.586 19.557 1.341 487 HA GLU 55 HA GLU 55 -38.803 19.954 1.035 488 1HB GLU 55 2HB GLU 55 -38.480 21.945 3.329 489 2HB GLU 55 3HB GLU 55 -40.001 21.262 2.734 490 1HG GLU 55 2HG GLU 55 -39.210 18.979 3.344 491 2HG GLU 55 3HG GLU 55 -37.707 19.670 3.977 Start of MODEL 9 1 1H MET 1 H MET 1 -16.965 11.241 11.796 2 HA MET 1 HA MET 1 -16.585 10.811 9.355 3 1HB MET 1 2HB MET 1 -15.255 12.502 10.692 4 2HB MET 1 3HB MET 1 -14.018 11.261 10.946 5 1HG MET 1 2HG MET 1 -13.373 12.732 9.132 6 2HG MET 1 3HG MET 1 -13.698 11.132 8.470 7 1HE MET 1 1HE MET 1 -13.326 13.640 6.639 8 2HE MET 1 2HE MET 1 -13.751 12.024 6.016 9 3HE MET 1 3HE MET 1 -14.686 13.451 5.506 10 H ALA 2 H ALA 2 -15.215 8.591 11.644 11 HA ALA 2 HA ALA 2 -13.412 7.043 10.221 12 1HB ALA 2 1HB ALA 2 -14.134 5.158 11.646 13 2HB ALA 2 2HB ALA 2 -13.983 6.659 12.580 14 3HB ALA 2 3HB ALA 2 -15.592 6.060 12.115 15 H SER 3 H SER 3 -17.015 6.637 10.189 16 HA SER 3 HA SER 3 -17.266 4.624 8.352 17 1HB SER 3 2HB SER 3 -19.053 7.082 8.395 18 2HB SER 3 3HB SER 3 -19.499 5.384 8.135 19 HG SER 3 HG SER 3 -19.950 6.053 10.293 20 H VAL 4 H VAL 4 -16.755 8.127 7.694 21 HA VAL 4 HA VAL 4 -17.193 7.903 4.842 22 HB VAL 4 HB VAL 4 -15.811 10.073 6.475 23 1HG1 VAL 4 1HG1 VAL 4 -15.113 10.254 4.176 24 2HG1 VAL 4 2HG1 VAL 4 -16.768 9.999 3.592 25 3HG1 VAL 4 3HG1 VAL 4 -16.341 11.489 4.468 26 1HG2 VAL 4 1HG2 VAL 4 -18.672 9.815 5.462 27 2HG2 VAL 4 2HG2 VAL 4 -18.160 9.788 7.161 28 3HG2 VAL 4 3HG2 VAL 4 -17.976 11.267 6.218 29 H LEU 5 H LEU 5 -14.319 8.071 7.000 30 HA LEU 5 HA LEU 5 -12.343 7.830 4.960 31 1HB LEU 5 2HB LEU 5 -12.254 6.632 7.759 32 2HB LEU 5 3HB LEU 5 -10.878 6.892 6.687 33 HG LEU 5 HG LEU 5 -12.621 9.069 7.920 34 1HD1 LEU 5 1HD1 LEU 5 -11.122 7.926 9.514 35 2HD1 LEU 5 2HD1 LEU 5 -9.737 8.259 8.452 36 3HD1 LEU 5 3HD1 LEU 5 -10.614 9.598 9.223 37 1HD2 LEU 5 1HD2 LEU 5 -10.876 10.630 7.032 38 2HD2 LEU 5 2HD2 LEU 5 -10.185 9.285 6.099 39 3HD2 LEU 5 3HD2 LEU 5 -11.830 9.874 5.755 40 H GLU 6 H GLU 6 -14.130 5.266 6.728 41 HA GLU 6 HA GLU 6 -12.900 3.118 5.389 42 1HB GLU 6 2HB GLU 6 -14.269 2.928 7.465 43 2HB GLU 6 3HB GLU 6 -15.733 3.214 6.512 44 1HG GLU 6 2HG GLU 6 -15.432 0.824 6.919 45 2HG GLU 6 3HG GLU 6 -15.272 1.148 5.192 46 H GLU 7 H GLU 7 -15.935 4.886 4.546 47 HA GLU 7 HA GLU 7 -16.622 3.413 2.232 48 1HB GLU 7 2HB GLU 7 -16.964 6.367 2.888 49 2HB GLU 7 3HB GLU 7 -17.673 5.603 1.467 50 1HG GLU 7 2HG GLU 7 -19.089 4.199 2.759 51 2HG GLU 7 3HG GLU 7 -18.207 4.505 4.252 52 H LEU 8 H LEU 8 -14.558 6.350 2.474 53 HA LEU 8 HA LEU 8 -13.893 6.428 -0.300 54 1HB LEU 8 2HB LEU 8 -12.329 7.466 2.089 55 2HB LEU 8 3HB LEU 8 -12.044 7.939 0.404 56 HG LEU 8 HG LEU 8 -14.699 8.434 1.816 57 1HD1 LEU 8 1HD1 LEU 8 -12.878 9.631 2.966 58 2HD1 LEU 8 2HD1 LEU 8 -12.315 10.282 1.412 59 3HD1 LEU 8 3HD1 LEU 8 -13.904 10.753 2.055 60 1HD2 LEU 8 1HD2 LEU 8 -15.048 10.044 0.020 61 2HD2 LEU 8 2HD2 LEU 8 -13.512 9.591 -0.734 62 3HD2 LEU 8 3HD2 LEU 8 -14.853 8.424 -0.655 63 H GLN 9 H GLN 9 -12.208 4.862 2.461 64 HA GLN 9 HA GLN 9 -9.996 3.835 1.033 65 1HB GLN 9 2HB GLN 9 -10.157 3.868 3.468 66 2HB GLN 9 3HB GLN 9 -11.492 2.707 3.431 67 1HG GLN 9 2HG GLN 9 -10.005 0.978 2.491 68 2HG GLN 9 3HG GLN 9 -8.680 2.151 2.402 69 1HE2 GLN 9 2HE2 GLN 9 -11.064 0.843 4.844 70 2HE2 GLN 9 1HE2 GLN 9 -9.866 0.765 6.123 71 H LYS 10 H LYS 10 -13.232 2.396 1.624 72 HA LYS 10 HA LYS 10 -12.758 -0.068 0.323 73 1HB LYS 10 2HB LYS 10 -14.572 0.476 1.903 74 2HB LYS 10 3HB LYS 10 -15.390 1.445 0.680 75 1HG LYS 10 2HG LYS 10 -14.714 -1.500 0.254 76 2HG LYS 10 3HG LYS 10 -16.142 -0.981 1.158 77 1HD LYS 10 2HD LYS 10 -16.890 0.384 -0.815 78 2HD LYS 10 3HD LYS 10 -15.578 -0.321 -1.764 79 1HE LYS 10 2HE LYS 10 -17.800 -1.893 -0.373 80 2HE LYS 10 3HE LYS 10 -17.762 -1.480 -2.091 81 1HZ LYS 10 1HZ LYS 10 -15.788 -3.151 -0.701 82 2HZ LYS 10 2HZ LYS 10 -16.976 -3.682 -1.712 83 3HZ LYS 10 3HZ LYS 10 -15.751 -2.752 -2.300 84 H ASP 11 H ASP 11 -14.168 3.013 -0.925 85 HA ASP 11 HA ASP 11 -14.476 2.125 -3.610 86 1HB ASP 11 2HB ASP 11 -15.440 4.215 -2.658 87 2HB ASP 11 3HB ASP 11 -13.829 4.949 -2.684 88 H LEU 12 H LEU 12 -11.695 3.749 -2.020 89 HA LEU 12 HA LEU 12 -9.926 3.911 -4.169 90 1HB LEU 12 2HB LEU 12 -9.543 4.997 -2.107 91 2HB LEU 12 3HB LEU 12 -9.373 3.486 -1.225 92 HG LEU 12 HG LEU 12 -7.493 3.875 -3.524 93 1HD1 LEU 12 1HD1 LEU 12 -7.498 6.117 -2.517 94 2HD1 LEU 12 2HD1 LEU 12 -7.257 5.413 -0.902 95 3HD1 LEU 12 3HD1 LEU 12 -5.989 5.270 -2.139 96 1HD2 LEU 12 1HD2 LEU 12 -7.183 2.883 -0.638 97 2HD2 LEU 12 2HD2 LEU 12 -7.373 1.844 -2.060 98 3HD2 LEU 12 3HD2 LEU 12 -5.923 2.842 -1.882 99 H GLU 13 H GLU 13 -10.380 1.165 -1.878 100 HA GLU 13 HA GLU 13 -8.577 -0.650 -3.117 101 1HB GLU 13 2HB GLU 13 -11.137 -1.073 -1.532 102 2HB GLU 13 3HB GLU 13 -10.193 -2.418 -2.178 103 1HG GLU 13 2HG GLU 13 -8.262 -1.833 -0.920 104 2HG GLU 13 3HG GLU 13 -8.946 -0.266 -0.435 105 H GLU 14 H GLU 14 -12.139 -0.266 -3.685 106 HA GLU 14 HA GLU 14 -12.325 -2.207 -5.703 107 1HB GLU 14 2HB GLU 14 -13.898 0.364 -5.316 108 2HB GLU 14 3HB GLU 14 -14.284 -0.838 -6.553 109 1HG GLU 14 2HG GLU 14 -14.532 -2.588 -4.833 110 2HG GLU 14 3HG GLU 14 -14.164 -1.418 -3.561 111 H VAL 15 H VAL 15 -11.744 1.337 -6.251 112 HA VAL 15 HA VAL 15 -11.461 0.998 -9.044 113 HB VAL 15 HB VAL 15 -11.831 3.182 -7.998 114 1HG1 VAL 15 1HG1 VAL 15 -10.258 3.098 -6.161 115 2HG1 VAL 15 2HG1 VAL 15 -8.883 3.260 -7.283 116 3HG1 VAL 15 3HG1 VAL 15 -10.078 4.558 -7.132 117 1HG2 VAL 15 1HG2 VAL 15 -10.448 4.476 -9.557 118 2HG2 VAL 15 2HG2 VAL 15 -9.377 3.083 -9.799 119 3HG2 VAL 15 3HG2 VAL 15 -11.070 3.012 -10.334 120 H LYS 16 H LYS 16 -8.860 1.082 -6.516 121 HA LYS 16 HA LYS 16 -6.725 0.810 -8.313 122 1HB LYS 16 2HB LYS 16 -6.651 1.368 -5.870 123 2HB LYS 16 3HB LYS 16 -6.925 -0.343 -5.493 124 1HG LYS 16 2HG LYS 16 -4.799 -0.831 -6.858 125 2HG LYS 16 3HG LYS 16 -4.528 0.912 -6.910 126 1HD LYS 16 2HD LYS 16 -4.688 -0.904 -4.457 127 2HD LYS 16 3HD LYS 16 -3.246 -0.098 -5.078 128 1HE LYS 16 2HE LYS 16 -5.682 1.243 -3.797 129 2HE LYS 16 3HE LYS 16 -4.074 1.065 -3.093 130 1HZ LYS 16 1HZ LYS 16 -3.210 2.449 -4.841 131 2HZ LYS 16 2HZ LYS 16 -4.715 2.627 -5.491 132 3HZ LYS 16 3HZ LYS 16 -4.389 3.233 -3.995 133 H VAL 17 H VAL 17 -8.525 -1.758 -6.585 134 HA VAL 17 HA VAL 17 -7.147 -3.985 -7.651 135 HB VAL 17 HB VAL 17 -9.956 -3.620 -6.547 136 1HG1 VAL 17 1HG1 VAL 17 -10.030 -5.637 -7.918 137 2HG1 VAL 17 2HG1 VAL 17 -8.499 -6.203 -7.196 138 3HG1 VAL 17 3HG1 VAL 17 -9.965 -6.070 -6.200 139 1HG2 VAL 17 1HG2 VAL 17 -7.442 -4.911 -5.369 140 2HG2 VAL 17 2HG2 VAL 17 -7.950 -3.261 -4.998 141 3HG2 VAL 17 3HG2 VAL 17 -8.980 -4.621 -4.533 142 H LEU 18 H LEU 18 -10.099 -2.272 -8.896 143 HA LEU 18 HA LEU 18 -10.384 -3.973 -11.172 144 1HB LEU 18 2HB LEU 18 -11.191 -1.092 -10.679 145 2HB LEU 18 3HB LEU 18 -11.562 -1.938 -12.182 146 HG LEU 18 HG LEU 18 -12.438 -2.983 -9.454 147 1HD1 LEU 18 1HD1 LEU 18 -13.952 -1.308 -11.499 148 2HD1 LEU 18 2HD1 LEU 18 -14.648 -2.035 -10.032 149 3HD1 LEU 18 3HD1 LEU 18 -13.421 -0.763 -9.891 150 1HD2 LEU 18 1HD2 LEU 18 -12.435 -4.739 -11.181 151 2HD2 LEU 18 2HD2 LEU 18 -14.093 -4.244 -10.846 152 3HD2 LEU 18 3HD2 LEU 18 -13.282 -3.661 -12.312 153 H LEU 19 H LEU 19 -8.506 -0.913 -10.805 154 HA LEU 19 HA LEU 19 -7.557 -0.818 -13.490 155 1HB LEU 19 2HB LEU 19 -6.054 0.011 -10.978 156 2HB LEU 19 3HB LEU 19 -5.646 0.467 -12.628 157 HG LEU 19 HG LEU 19 -8.166 1.306 -11.146 158 1HD1 LEU 19 1HD1 LEU 19 -7.127 3.507 -11.075 159 2HD1 LEU 19 2HD1 LEU 19 -6.095 2.320 -10.262 160 3HD1 LEU 19 3HD1 LEU 19 -5.682 2.882 -11.897 161 1HD2 LEU 19 1HD2 LEU 19 -8.603 2.834 -12.934 162 2HD2 LEU 19 2HD2 LEU 19 -7.183 2.273 -13.835 163 3HD2 LEU 19 3HD2 LEU 19 -8.579 1.188 -13.570 164 H GLU 20 H GLU 20 -6.186 -2.468 -10.612 165 HA GLU 20 HA GLU 20 -3.896 -3.542 -11.913 166 1HB GLU 20 2HB GLU 20 -5.486 -4.498 -9.501 167 2HB GLU 20 3HB GLU 20 -3.970 -5.238 -10.032 168 1HG GLU 20 2HG GLU 20 -2.745 -3.167 -9.717 169 2HG GLU 20 3HG GLU 20 -4.220 -2.283 -9.318 170 H LYS 21 H LYS 21 -7.190 -4.920 -11.515 171 HA LYS 21 HA LYS 21 -6.404 -7.405 -12.849 172 1HB LYS 21 2HB LYS 21 -9.069 -6.326 -11.858 173 2HB LYS 21 3HB LYS 21 -8.854 -7.911 -12.623 174 1HG LYS 21 2HG LYS 21 -7.240 -8.570 -10.900 175 2HG LYS 21 3HG LYS 21 -7.403 -6.993 -10.101 176 1HD LYS 21 2HD LYS 21 -9.777 -7.386 -9.677 177 2HD LYS 21 3HD LYS 21 -9.739 -8.919 -10.558 178 1HE LYS 21 2HE LYS 21 -8.107 -8.340 -8.037 179 2HE LYS 21 3HE LYS 21 -9.664 -9.186 -8.064 180 1HZ LYS 21 1HZ LYS 21 -7.863 -10.713 -8.039 181 2HZ LYS 21 2HZ LYS 21 -8.664 -10.842 -9.472 182 3HZ LYS 21 3HZ LYS 21 -7.209 -10.071 -9.406 183 H SER 22 H SER 22 -8.826 -4.891 -13.683 184 HA SER 22 HA SER 22 -9.396 -6.160 -16.253 185 1HB SER 22 2HB SER 22 -10.453 -3.586 -14.997 186 2HB SER 22 3HB SER 22 -11.135 -4.438 -16.392 187 HG SER 22 HG SER 22 -10.852 -5.522 -13.773 188 H THR 23 H THR 23 -6.956 -5.718 -16.638 189 HA THR 23 HA THR 23 -5.925 -3.126 -17.190 190 HB THR 23 HB THR 23 -4.028 -4.783 -18.075 191 HG1 THR 23 HG1 THR 23 -5.453 -6.586 -16.425 192 1HG2 THR 23 1HG2 THR 23 -5.041 -4.640 -15.217 193 2HG2 THR 23 2HG2 THR 23 -3.441 -5.254 -15.689 194 3HG2 THR 23 3HG2 THR 23 -3.871 -3.558 -15.985 195 H ARG 24 H ARG 24 -8.188 -3.310 -18.770 196 HA ARG 24 HA ARG 24 -7.157 -3.487 -21.560 197 1HB ARG 24 2HB ARG 24 -9.959 -2.784 -20.646 198 2HB ARG 24 3HB ARG 24 -9.427 -3.299 -22.249 199 1HG ARG 24 2HG ARG 24 -9.721 -4.998 -19.729 200 2HG ARG 24 3HG ARG 24 -10.654 -5.057 -21.217 201 1HD ARG 24 2HD ARG 24 -9.320 -6.874 -21.543 202 2HD ARG 24 3HD ARG 24 -8.330 -5.640 -22.348 203 HE ARG 24 HE ARG 24 -7.679 -5.900 -19.539 204 1HH1 ARG 24 1HH1 ARG 24 -7.276 -7.577 -22.610 205 2HH1 ARG 24 2HH1 ARG 24 -5.773 -8.339 -22.163 206 1HH2 ARG 24 2HH2 ARG 24 -5.658 -6.875 -18.928 207 2HH2 ARG 24 1HH2 ARG 24 -4.872 -7.943 -20.046 208 H LYS 25 H LYS 25 -8.138 -1.422 -22.842 209 HA LYS 25 HA LYS 25 -6.953 0.939 -21.907 210 1HB LYS 25 2HB LYS 25 -8.258 2.105 -23.580 211 2HB LYS 25 3HB LYS 25 -7.569 0.615 -24.235 212 1HG LYS 25 2HG LYS 25 -9.760 -0.526 -23.994 213 2HG LYS 25 3HG LYS 25 -10.476 0.946 -23.324 214 1HD LYS 25 2HD LYS 25 -9.251 0.724 -26.111 215 2HD LYS 25 3HD LYS 25 -10.973 0.561 -25.735 216 1HE LYS 25 2HE LYS 25 -10.952 2.885 -24.760 217 2HE LYS 25 3HE LYS 25 -9.276 3.066 -25.313 218 1HZ LYS 25 1HZ LYS 25 -11.587 2.539 -27.033 219 2HZ LYS 25 2HZ LYS 25 -10.804 3.979 -26.859 220 3HZ LYS 25 3HZ LYS 25 -10.024 2.697 -27.538 221 H ARG 26 H ARG 26 -9.895 -0.509 -20.909 222 HA ARG 26 HA ARG 26 -11.528 1.535 -20.087 223 1HB ARG 26 2HB ARG 26 -12.113 -0.848 -20.272 224 2HB ARG 26 3HB ARG 26 -10.996 -1.246 -18.959 225 1HG ARG 26 2HG ARG 26 -13.270 -1.368 -18.186 226 2HG ARG 26 3HG ARG 26 -12.387 -0.112 -17.357 227 1HD ARG 26 2HD ARG 26 -13.604 1.273 -19.499 228 2HD ARG 26 3HD ARG 26 -14.785 0.020 -19.098 229 HE ARG 26 HE ARG 26 -13.841 1.276 -16.709 230 1HH1 ARG 26 2HH1 ARG 26 -15.873 1.967 -19.530 231 2HH1 ARG 26 1HH1 ARG 26 -16.754 3.255 -18.755 232 1HH2 ARG 26 2HH2 ARG 26 -15.026 2.890 -15.680 233 2HH2 ARG 26 1HH2 ARG 26 -16.234 3.831 -16.512 234 H LEU 27 H LEU 27 -8.510 0.525 -18.568 235 HA LEU 27 HA LEU 27 -8.762 1.350 -15.947 236 1HB LEU 27 2HB LEU 27 -6.534 1.411 -17.962 237 2HB LEU 27 3HB LEU 27 -6.305 2.344 -16.479 238 HG LEU 27 HG LEU 27 -6.459 0.504 -15.061 239 1HD1 LEU 27 1HD1 LEU 27 -7.287 -1.209 -17.420 240 2HD1 LEU 27 2HD1 LEU 27 -6.948 -1.783 -15.774 241 3HD1 LEU 27 3HD1 LEU 27 -8.341 -0.764 -16.066 242 1HD2 LEU 27 1HD2 LEU 27 -4.883 -0.368 -17.513 243 2HD2 LEU 27 2HD2 LEU 27 -4.319 0.765 -16.264 244 3HD2 LEU 27 3HD2 LEU 27 -4.637 -0.927 -15.845 245 H ARG 28 H ARG 28 -7.999 3.675 -18.614 246 HA ARG 28 HA ARG 28 -7.861 5.888 -16.837 247 1HB ARG 28 2HB ARG 28 -8.005 7.307 -18.813 248 2HB ARG 28 3HB ARG 28 -6.901 5.945 -19.034 249 1HG ARG 28 2HG ARG 28 -8.792 4.750 -20.266 250 2HG ARG 28 3HG ARG 28 -9.728 6.233 -20.168 251 1HD ARG 28 2HD ARG 28 -8.550 5.881 -22.359 252 2HD ARG 28 3HD ARG 28 -8.255 7.425 -21.561 253 HE ARG 28 HE ARG 28 -6.059 6.983 -21.497 254 1HH1 ARG 28 2HH1 ARG 28 -7.611 3.748 -21.564 255 2HH1 ARG 28 1HH1 ARG 28 -6.128 2.968 -22.013 256 1HH2 ARG 28 2HH2 ARG 28 -4.162 5.883 -21.983 257 2HH2 ARG 28 1HH2 ARG 28 -4.149 4.153 -22.178 258 H ASP 29 H ASP 29 -10.596 4.558 -18.671 259 HA ASP 29 HA ASP 29 -12.516 6.563 -18.069 260 1HB ASP 29 2HB ASP 29 -12.991 3.587 -18.540 261 2HB ASP 29 3HB ASP 29 -14.164 4.894 -18.731 262 H THR 30 H THR 30 -11.755 3.440 -16.539 263 HA THR 30 HA THR 30 -13.627 3.528 -14.414 264 HB THR 30 HB THR 30 -10.885 2.188 -14.436 265 HG1 THR 30 HG1 THR 30 -11.996 1.609 -16.250 266 1HG2 THR 30 1HG2 THR 30 -12.038 2.091 -12.229 267 2HG2 THR 30 2HG2 THR 30 -13.487 1.438 -13.025 268 3HG2 THR 30 3HG2 THR 30 -11.973 0.510 -13.025 269 H LEU 31 H LEU 31 -10.168 4.502 -14.468 270 HA LEU 31 HA LEU 31 -9.936 5.432 -11.855 271 1HB LEU 31 2HB LEU 31 -8.070 5.162 -13.384 272 2HB LEU 31 3HB LEU 31 -8.650 6.448 -14.430 273 HG LEU 31 HG LEU 31 -6.704 6.971 -12.975 274 1HD1 LEU 31 1HD1 LEU 31 -7.255 9.218 -12.523 275 2HD1 LEU 31 2HD1 LEU 31 -8.188 8.755 -13.955 276 3HD1 LEU 31 3HD1 LEU 31 -8.978 8.887 -12.365 277 1HD2 LEU 31 1HD2 LEU 31 -7.439 5.813 -10.911 278 2HD2 LEU 31 2HD2 LEU 31 -6.981 7.500 -10.622 279 3HD2 LEU 31 3HD2 LEU 31 -8.693 7.049 -10.668 280 H THR 32 H THR 32 -10.761 7.382 -14.787 281 HA THR 32 HA THR 32 -11.287 9.763 -13.413 282 HB THR 32 HB THR 32 -12.689 8.820 -15.956 283 HG1 THR 32 HG1 THR 32 -10.509 8.562 -16.252 284 1HG2 THR 32 1HG2 THR 32 -13.557 10.964 -15.028 285 2HG2 THR 32 2HG2 THR 32 -11.895 11.592 -14.945 286 3HG2 THR 32 3HG2 THR 32 -12.632 11.229 -16.517 287 H SER 33 H SER 33 -13.637 7.240 -14.404 288 HA SER 33 HA SER 33 -15.979 8.459 -13.466 289 1HB SER 33 2HB SER 33 -15.326 5.474 -13.544 290 2HB SER 33 3HB SER 33 -16.942 6.195 -13.450 291 HG SER 33 HG SER 33 -15.067 6.452 -15.568 292 H GLU 34 H GLU 34 -13.836 6.121 -11.750 293 HA GLU 34 HA GLU 34 -15.583 6.161 -9.449 294 1HB GLU 34 2HB GLU 34 -13.948 4.308 -10.530 295 2HB GLU 34 3HB GLU 34 -12.881 4.909 -9.254 296 1HG GLU 34 2HG GLU 34 -14.633 4.414 -7.579 297 2HG GLU 34 3HG GLU 34 -15.777 3.981 -8.853 298 H LYS 35 H LYS 35 -12.385 7.576 -10.230 299 HA LYS 35 HA LYS 35 -11.750 8.768 -7.762 300 1HB LYS 35 2HB LYS 35 -10.263 8.699 -9.697 301 2HB LYS 35 3HB LYS 35 -11.336 9.792 -10.602 302 1HG LYS 35 2HG LYS 35 -10.894 11.586 -9.028 303 2HG LYS 35 3HG LYS 35 -9.894 10.512 -8.020 304 1HD LYS 35 2HD LYS 35 -8.367 10.172 -9.995 305 2HD LYS 35 3HD LYS 35 -9.342 11.325 -10.920 306 1HE LYS 35 2HE LYS 35 -7.771 11.912 -8.362 307 2HE LYS 35 3HE LYS 35 -7.329 12.403 -10.007 308 1HZ LYS 35 1HZ LYS 35 -8.353 14.184 -8.856 309 2HZ LYS 35 2HZ LYS 35 -9.363 13.700 -10.067 310 3HZ LYS 35 3HZ LYS 35 -9.686 13.286 -8.499 311 H SER 36 H SER 36 -13.896 9.955 -10.410 312 HA SER 36 HA SER 36 -14.634 12.389 -9.192 313 1HB SER 36 2HB SER 36 -16.423 10.594 -10.882 314 2HB SER 36 3HB SER 36 -16.647 12.315 -10.543 315 HG SER 36 HG SER 36 -14.469 11.125 -11.938 316 H LYS 37 H LYS 37 -15.972 9.087 -8.622 317 HA LYS 37 HA LYS 37 -18.024 9.943 -6.806 318 1HB LYS 37 2HB LYS 37 -16.648 7.240 -6.757 319 2HB LYS 37 3HB LYS 37 -18.238 7.668 -6.139 320 1HG LYS 37 2HG LYS 37 -17.388 7.587 -9.049 321 2HG LYS 37 3HG LYS 37 -18.395 6.410 -8.222 322 1HD LYS 37 2HD LYS 37 -20.171 8.064 -7.900 323 2HD LYS 37 3HD LYS 37 -19.187 9.342 -8.638 324 1HE LYS 37 2HE LYS 37 -20.001 6.794 -10.098 325 2HE LYS 37 3HE LYS 37 -20.886 8.325 -10.190 326 1HZ LYS 37 1HZ LYS 37 -18.974 9.367 -11.085 327 2HZ LYS 37 2HZ LYS 37 -18.064 8.005 -10.960 328 3HZ LYS 37 3HZ LYS 37 -19.347 8.050 -11.997 329 H ILE 38 H ILE 38 -14.648 8.791 -6.293 330 HA ILE 38 HA ILE 38 -14.623 8.941 -3.478 331 HB ILE 38 HB ILE 38 -12.344 9.646 -5.379 332 1HG1 ILE 38 2HG1 ILE 38 -13.087 7.056 -3.948 333 2HG1 ILE 38 3HG1 ILE 38 -13.232 7.360 -5.683 334 1HG2 ILE 38 1HG2 ILE 38 -12.165 8.818 -2.457 335 2HG2 ILE 38 2HG2 ILE 38 -10.833 9.293 -3.528 336 3HG2 ILE 38 3HG2 ILE 38 -11.994 10.497 -3.010 337 1HD1 ILE 38 1HD1 ILE 38 -10.659 7.118 -4.095 338 2HD1 ILE 38 2HD1 ILE 38 -11.262 6.067 -5.378 339 3HD1 ILE 38 3HD1 ILE 38 -10.732 7.713 -5.773 340 H GLU 39 H GLU 39 -13.750 11.562 -5.790 341 HA GLU 39 HA GLU 39 -13.452 13.557 -3.777 342 1HB GLU 39 2HB GLU 39 -13.854 13.610 -6.769 343 2HB GLU 39 3HB GLU 39 -14.100 15.099 -5.848 344 1HG GLU 39 2HG GLU 39 -11.818 15.050 -6.594 345 2HG GLU 39 3HG GLU 39 -11.863 14.924 -4.835 346 H THR 40 H THR 40 -16.331 12.706 -5.726 347 HA THR 40 HA THR 40 -18.072 14.700 -4.771 348 HB THR 40 HB THR 40 -18.681 11.819 -5.565 349 HG1 THR 40 HG1 THR 40 -17.701 13.062 -7.178 350 1HG2 THR 40 1HG2 THR 40 -20.620 12.742 -4.373 351 2HG2 THR 40 2HG2 THR 40 -20.542 14.217 -5.373 352 3HG2 THR 40 3HG2 THR 40 -20.924 12.648 -6.116 353 H GLU 41 H GLU 41 -17.571 11.383 -3.446 354 HA GLU 41 HA GLU 41 -19.267 11.627 -1.190 355 1HB GLU 41 2HB GLU 41 -16.753 9.988 -1.711 356 2HB GLU 41 3HB GLU 41 -17.743 9.807 -0.254 357 1HG GLU 41 2HG GLU 41 -19.661 9.102 -1.548 358 2HG GLU 41 3HG GLU 41 -18.860 9.491 -3.075 359 H LEU 42 H LEU 42 -15.698 12.067 -1.412 360 HA LEU 42 HA LEU 42 -15.255 12.729 1.262 361 1HB LEU 42 2HB LEU 42 -13.443 12.159 -0.184 362 2HB LEU 42 3HB LEU 42 -13.811 13.459 -1.302 363 HG LEU 42 HG LEU 42 -13.122 15.142 0.405 364 1HD1 LEU 42 1HD1 LEU 42 -11.893 14.393 2.408 365 2HD1 LEU 42 2HD1 LEU 42 -13.569 13.828 2.477 366 3HD1 LEU 42 3HD1 LEU 42 -12.268 12.702 2.032 367 1HD2 LEU 42 1HD2 LEU 42 -11.061 12.983 -0.192 368 2HD2 LEU 42 2HD2 LEU 42 -11.536 14.305 -1.278 369 3HD2 LEU 42 3HD2 LEU 42 -10.716 14.669 0.251 370 H LYS 43 H LYS 43 -15.887 14.996 -1.483 371 HA LYS 43 HA LYS 43 -15.763 17.293 0.219 372 1HB LYS 43 2HB LYS 43 -15.457 17.138 -2.361 373 2HB LYS 43 3HB LYS 43 -17.221 17.150 -2.441 374 1HG LYS 43 2HG LYS 43 -16.645 19.404 -2.695 375 2HG LYS 43 3HG LYS 43 -17.054 19.310 -0.973 376 1HD LYS 43 2HD LYS 43 -14.528 18.971 -0.532 377 2HD LYS 43 3HD LYS 43 -14.268 19.329 -2.240 378 1HE LYS 43 2HE LYS 43 -15.534 21.172 -0.156 379 2HE LYS 43 3HE LYS 43 -13.907 21.315 -0.831 380 1HZ LYS 43 1HZ LYS 43 -16.401 21.556 -2.357 381 2HZ LYS 43 2HZ LYS 43 -15.442 22.800 -1.874 382 3HZ LYS 43 3HZ LYS 43 -14.877 21.706 -2.972 383 H ASN 44 H ASN 44 -18.547 15.472 -1.174 384 HA ASN 44 HA ASN 44 -20.643 17.053 -0.172 385 1HB ASN 44 2HB ASN 44 -20.991 15.299 -1.812 386 2HB ASN 44 3HB ASN 44 -20.473 14.052 -0.661 387 1HD2 ASN 44 1HD2 ASN 44 -21.870 13.424 1.078 388 2HD2 ASN 44 2HD2 ASN 44 -23.569 13.863 1.029 389 H LYS 45 H LYS 45 -18.973 14.290 1.419 390 HA LYS 45 HA LYS 45 -20.645 14.259 3.730 391 1HB LYS 45 2HB LYS 45 -17.799 13.332 3.252 392 2HB LYS 45 3HB LYS 45 -18.677 13.025 4.752 393 1HG LYS 45 2HG LYS 45 -19.728 12.135 2.022 394 2HG LYS 45 3HG LYS 45 -18.680 11.154 3.038 395 1HD LYS 45 2HD LYS 45 -20.408 11.367 4.896 396 2HD LYS 45 3HD LYS 45 -21.492 12.124 3.715 397 1HE LYS 45 2HE LYS 45 -21.335 10.103 2.271 398 2HE LYS 45 3HE LYS 45 -20.222 9.352 3.430 399 1HZ LYS 45 1HZ LYS 45 -22.436 8.583 3.722 400 2HZ LYS 45 2HZ LYS 45 -21.955 9.417 5.058 401 3HZ LYS 45 3HZ LYS 45 -22.999 10.110 3.985 402 H MET 46 H MET 46 -18.126 16.529 2.827 403 HA MET 46 HA MET 46 -18.027 17.627 5.598 404 1HB MET 46 2HB MET 46 -16.651 18.507 3.020 405 2HB MET 46 3HB MET 46 -16.499 19.280 4.605 406 1HG MET 46 2HG MET 46 -15.611 17.171 5.548 407 2HG MET 46 3HG MET 46 -15.728 16.407 3.956 408 1HE MET 46 1HE MET 46 -11.882 16.716 4.530 409 2HE MET 46 2HE MET 46 -13.108 16.447 5.792 410 3HE MET 46 3HE MET 46 -13.250 15.621 4.220 411 H GLN 47 H GLN 47 -18.808 18.718 2.273 412 HA GLN 47 HA GLN 47 -20.325 21.020 3.215 413 1HB GLN 47 2HB GLN 47 -20.030 19.836 0.429 414 2HB GLN 47 3HB GLN 47 -20.694 21.432 0.834 415 1HG GLN 47 2HG GLN 47 -18.455 22.003 1.883 416 2HG GLN 47 3HG GLN 47 -17.812 20.509 1.184 417 1HE2 GLN 47 1HE2 GLN 47 -19.233 20.575 -1.350 418 2HE2 GLN 47 2HE2 GLN 47 -18.628 21.961 -2.241 419 H GLN 48 H GLN 48 -21.621 19.153 4.514 420 HA GLN 48 HA GLN 48 -23.761 17.903 2.983 421 1HB GLN 48 2HB GLN 48 -23.440 18.275 5.991 422 2HB GLN 48 3HB GLN 48 -24.659 17.279 5.174 423 1HG GLN 48 2HG GLN 48 -22.820 15.928 4.144 424 2HG GLN 48 3HG GLN 48 -21.656 16.875 5.090 425 1HE2 GLN 48 2HE2 GLN 48 -20.909 15.344 6.588 426 2HE2 GLN 48 1HE2 GLN 48 -21.982 14.478 7.691 427 H LYS 49 H LYS 49 -24.142 20.191 1.983 428 HA LYS 49 HA LYS 49 -25.739 22.068 3.500 429 1HB LYS 49 2HB LYS 49 -24.465 22.668 1.471 430 2HB LYS 49 3HB LYS 49 -25.525 21.649 0.484 431 1HG LYS 49 2HG LYS 49 -27.472 23.064 1.117 432 2HG LYS 49 3HG LYS 49 -26.417 24.053 2.147 433 1HD LYS 49 2HD LYS 49 -25.076 24.690 0.151 434 2HD LYS 49 3HD LYS 49 -26.122 23.682 -0.872 435 1HE LYS 49 2HE LYS 49 -28.084 25.081 -0.245 436 2HE LYS 49 3HE LYS 49 -27.041 26.086 0.780 437 1HZ LYS 49 1HZ LYS 49 -26.774 25.751 -2.125 438 2HZ LYS 49 2HZ LYS 49 -27.399 27.067 -1.354 439 3HZ LYS 49 3HZ LYS 49 -25.806 26.687 -1.172 440 H SER 50 H SER 50 -26.606 19.706 0.928 441 HA SER 50 HA SER 50 -29.371 20.088 1.215 442 1HB SER 50 2HB SER 50 -27.977 17.754 -0.142 443 2HB SER 50 3HB SER 50 -29.498 18.549 -0.600 444 HG SER 50 HG SER 50 -27.687 19.261 -1.871 445 H GLN 51 H GLN 51 -28.744 19.423 3.778 446 HA GLN 51 HA GLN 51 -29.650 16.627 4.285 447 1HB GLN 51 2HB GLN 51 -29.029 18.981 6.115 448 2HB GLN 51 3HB GLN 51 -29.544 17.384 6.677 449 1HG GLN 51 2HG GLN 51 -27.556 16.336 5.697 450 2HG GLN 51 3HG GLN 51 -27.005 17.899 5.082 451 1HE2 GLN 51 1HE2 GLN 51 -25.812 19.233 6.477 452 2HE2 GLN 51 2HE2 GLN 51 -25.590 18.874 8.187 453 H LYS 52 H LYS 52 -31.534 16.743 6.087 454 HA LYS 52 HA LYS 52 -33.847 18.066 4.882 455 1HB LYS 52 2HB LYS 52 -33.511 16.508 7.467 456 2HB LYS 52 3HB LYS 52 -35.057 17.036 6.759 457 1HG LYS 52 2HG LYS 52 -34.415 15.726 4.670 458 2HG LYS 52 3HG LYS 52 -33.088 15.018 5.593 459 1HD LYS 52 2HD LYS 52 -36.078 14.776 6.202 460 2HD LYS 52 3HD LYS 52 -35.022 13.545 5.511 461 1HE LYS 52 2HE LYS 52 -35.149 12.868 7.723 462 2HE LYS 52 3HE LYS 52 -33.619 13.757 7.703 463 1HZ LYS 52 1HZ LYS 52 -36.235 14.774 8.604 464 2HZ LYS 52 2HZ LYS 52 -34.990 14.311 9.578 465 3HZ LYS 52 3HZ LYS 52 -34.837 15.639 8.619 466 H LYS 53 H LYS 53 -32.451 20.162 5.126 467 HA LYS 53 HA LYS 53 -32.276 21.495 7.645 468 1HB LYS 53 2HB LYS 53 -32.515 22.551 4.811 469 2HB LYS 53 3HB LYS 53 -32.175 23.560 6.216 470 1HG LYS 53 2HG LYS 53 -30.403 21.259 5.244 471 2HG LYS 53 3HG LYS 53 -30.160 22.974 4.913 472 1HD LYS 53 2HD LYS 53 -30.140 23.338 7.467 473 2HD LYS 53 3HD LYS 53 -29.971 21.581 7.616 474 1HE LYS 53 2HE LYS 53 -28.079 23.452 6.105 475 2HE LYS 53 3HE LYS 53 -27.794 22.762 7.710 476 1HZ LYS 53 1HZ LYS 53 -28.067 21.242 5.213 477 2HZ LYS 53 2HZ LYS 53 -26.674 21.519 6.034 478 3HZ LYS 53 3HZ LYS 53 -27.845 20.587 6.716 479 HA PRO 54 HA PRO 54 -36.720 21.915 8.319 480 1HB PRO 54 2HB PRO 54 -35.716 24.303 9.899 481 2HB PRO 54 3HB PRO 54 -37.017 23.155 10.334 482 1HG PRO 54 2HG PRO 54 -34.549 22.827 11.393 483 2HG PRO 54 3HG PRO 54 -35.408 21.404 10.728 484 1HD PRO 54 2HD PRO 54 -33.220 23.035 9.421 485 2HD PRO 54 3HD PRO 54 -33.450 21.259 9.486 486 H GLU 55 H GLU 55 -38.222 22.901 7.038 487 HA GLU 55 HA GLU 55 -39.020 24.154 5.326 488 1HB GLU 55 2HB GLU 55 -38.205 26.480 7.107 489 2HB GLU 55 3HB GLU 55 -39.574 26.389 5.992 490 1HG GLU 55 2HG GLU 55 -39.227 24.892 8.632 491 2HG GLU 55 3HG GLU 55 -40.401 26.150 8.255 Start of MODEL 10 1 1H MET 1 H MET 1 -20.334 10.598 10.447 2 HA MET 1 HA MET 1 -19.588 10.108 8.150 3 1HB MET 1 2HB MET 1 -19.125 12.342 9.138 4 2HB MET 1 3HB MET 1 -17.557 11.755 9.719 5 1HG MET 1 2HG MET 1 -16.794 11.432 7.412 6 2HG MET 1 3HG MET 1 -18.415 11.765 6.795 7 1HE MET 1 1HE MET 1 -15.649 15.010 8.582 8 2HE MET 1 2HE MET 1 -16.484 13.834 9.618 9 3HE MET 1 3HE MET 1 -15.216 13.286 8.490 10 H ALA 2 H ALA 2 -17.414 9.168 10.738 11 HA ALA 2 HA ALA 2 -15.129 8.286 9.483 12 1HB ALA 2 1HB ALA 2 -15.452 8.233 11.913 13 2HB ALA 2 2HB ALA 2 -16.609 6.893 11.757 14 3HB ALA 2 3HB ALA 2 -14.904 6.653 11.321 15 H SER 3 H SER 3 -18.050 6.194 10.017 16 HA SER 3 HA SER 3 -17.280 3.959 8.643 17 1HB SER 3 2HB SER 3 -20.066 5.176 8.506 18 2HB SER 3 3HB SER 3 -19.623 3.458 8.561 19 HG SER 3 HG SER 3 -18.826 3.846 10.691 20 H VAL 4 H VAL 4 -18.466 7.036 7.234 21 HA VAL 4 HA VAL 4 -18.766 5.915 4.565 22 HB VAL 4 HB VAL 4 -18.653 8.839 5.367 23 1HG1 VAL 4 1HG1 VAL 4 -18.319 8.443 2.963 24 2HG1 VAL 4 2HG1 VAL 4 -19.766 7.413 2.917 25 3HG1 VAL 4 3HG1 VAL 4 -19.911 9.147 3.259 26 1HG2 VAL 4 1HG2 VAL 4 -20.482 7.750 6.620 27 2HG2 VAL 4 2HG2 VAL 4 -21.147 8.718 5.306 28 3HG2 VAL 4 3HG2 VAL 4 -21.045 6.955 5.133 29 H LEU 5 H LEU 5 -16.315 7.837 6.393 30 HA LEU 5 HA LEU 5 -14.483 8.131 4.206 31 1HB LEU 5 2HB LEU 5 -13.750 7.752 7.134 32 2HB LEU 5 3HB LEU 5 -12.732 8.407 5.856 33 HG LEU 5 HG LEU 5 -15.266 9.680 6.965 34 1HD1 LEU 5 1HD1 LEU 5 -13.306 9.775 8.463 35 2HD1 LEU 5 2HD1 LEU 5 -12.341 10.496 7.159 36 3HD1 LEU 5 3HD1 LEU 5 -13.724 11.379 7.837 37 1HD2 LEU 5 1HD2 LEU 5 -14.606 11.660 5.578 38 2HD2 LEU 5 2HD2 LEU 5 -13.375 10.657 4.780 39 3HD2 LEU 5 3HD2 LEU 5 -15.106 10.281 4.597 40 H GLU 6 H GLU 6 -14.805 5.493 6.620 41 HA GLU 6 HA GLU 6 -12.792 3.809 5.522 42 1HB GLU 6 2HB GLU 6 -15.304 3.225 7.131 43 2HB GLU 6 3HB GLU 6 -14.293 1.934 6.480 44 1HG GLU 6 2HG GLU 6 -13.557 2.276 8.695 45 2HG GLU 6 3HG GLU 6 -12.295 2.907 7.638 46 H GLU 7 H GLU 7 -16.310 3.952 4.739 47 HA GLU 7 HA GLU 7 -16.335 1.967 2.765 48 1HB GLU 7 2HB GLU 7 -18.327 3.145 3.711 49 2HB GLU 7 3HB GLU 7 -17.904 4.587 2.779 50 1HG GLU 7 2HG GLU 7 -19.660 3.392 1.664 51 2HG GLU 7 3HG GLU 7 -18.203 3.341 0.669 52 H LEU 8 H LEU 8 -15.617 5.472 2.370 53 HA LEU 8 HA LEU 8 -15.059 5.304 -0.434 54 1HB LEU 8 2HB LEU 8 -14.103 7.291 1.660 55 2HB LEU 8 3HB LEU 8 -13.894 7.486 -0.082 56 HG LEU 8 HG LEU 8 -16.597 7.292 1.336 57 1HD1 LEU 8 1HD1 LEU 8 -16.778 9.682 0.830 58 2HD1 LEU 8 2HD1 LEU 8 -15.355 9.370 1.839 59 3HD1 LEU 8 3HD1 LEU 8 -15.161 9.665 0.096 60 1HD2 LEU 8 1HD2 LEU 8 -16.843 6.450 -0.933 61 2HD2 LEU 8 2HD2 LEU 8 -17.501 8.075 -0.833 62 3HD2 LEU 8 3HD2 LEU 8 -15.905 7.823 -1.570 63 H GLN 9 H GLN 9 -12.894 4.978 2.421 64 HA GLN 9 HA GLN 9 -10.509 4.653 0.945 65 1HB GLN 9 2HB GLN 9 -10.523 4.963 3.360 66 2HB GLN 9 3HB GLN 9 -11.358 3.427 3.598 67 1HG GLN 9 2HG GLN 9 -9.013 3.213 4.152 68 2HG GLN 9 3HG GLN 9 -9.404 2.175 2.783 69 1HE2 GLN 9 1HE2 GLN 9 -8.747 2.924 0.585 70 2HE2 GLN 9 2HE2 GLN 9 -7.334 3.975 0.484 71 H LYS 10 H LYS 10 -13.014 2.254 1.855 72 HA LYS 10 HA LYS 10 -11.778 -0.026 0.698 73 1HB LYS 10 2HB LYS 10 -13.898 0.208 2.201 74 2HB LYS 10 3HB LYS 10 -14.781 0.419 0.690 75 1HG LYS 10 2HG LYS 10 -13.130 -1.995 1.548 76 2HG LYS 10 3HG LYS 10 -14.890 -1.856 1.451 77 1HD LYS 10 2HD LYS 10 -14.525 -1.347 -1.081 78 2HD LYS 10 3HD LYS 10 -12.871 -1.944 -0.818 79 1HE LYS 10 2HE LYS 10 -14.137 -3.776 -1.652 80 2HE LYS 10 3HE LYS 10 -13.865 -4.094 0.069 81 1HZ LYS 10 1HZ LYS 10 -16.309 -2.963 -1.124 82 2HZ LYS 10 2HZ LYS 10 -16.124 -4.519 -0.616 83 3HZ LYS 10 3HZ LYS 10 -16.093 -3.287 0.477 84 H ASP 11 H ASP 11 -14.151 2.320 -0.719 85 HA ASP 11 HA ASP 11 -14.116 1.157 -3.288 86 1HB ASP 11 2HB ASP 11 -15.774 2.830 -2.370 87 2HB ASP 11 3HB ASP 11 -14.601 4.102 -2.755 88 H LEU 12 H LEU 12 -11.932 3.534 -1.866 89 HA LEU 12 HA LEU 12 -10.425 4.272 -4.127 90 1HB LEU 12 2HB LEU 12 -10.488 5.285 -1.847 91 2HB LEU 12 3HB LEU 12 -9.387 4.020 -1.299 92 HG LEU 12 HG LEU 12 -8.711 5.832 -3.641 93 1HD1 LEU 12 1HD1 LEU 12 -8.214 6.326 -0.672 94 2HD1 LEU 12 2HD1 LEU 12 -7.535 7.280 -2.010 95 3HD1 LEU 12 3HD1 LEU 12 -9.282 7.273 -1.730 96 1HD2 LEU 12 1HD2 LEU 12 -7.055 4.210 -1.638 97 2HD2 LEU 12 2HD2 LEU 12 -7.229 3.892 -3.377 98 3HD2 LEU 12 3HD2 LEU 12 -6.385 5.347 -2.823 99 H GLU 13 H GLU 13 -10.049 1.601 -1.739 100 HA GLU 13 HA GLU 13 -7.852 0.304 -3.007 101 1HB GLU 13 2HB GLU 13 -8.747 -0.161 -0.698 102 2HB GLU 13 3HB GLU 13 -10.082 -1.053 -1.444 103 1HG GLU 13 2HG GLU 13 -8.468 -2.598 -2.513 104 2HG GLU 13 3HG GLU 13 -7.127 -1.697 -1.784 105 H GLU 14 H GLU 14 -11.418 -0.085 -3.490 106 HA GLU 14 HA GLU 14 -11.246 -2.109 -5.448 107 1HB GLU 14 2HB GLU 14 -13.358 0.074 -5.233 108 2HB GLU 14 3HB GLU 14 -13.434 -1.327 -6.293 109 1HG GLU 14 2HG GLU 14 -13.280 -2.855 -4.351 110 2HG GLU 14 3HG GLU 14 -13.238 -1.466 -3.260 111 H VAL 15 H VAL 15 -11.333 1.490 -6.086 112 HA VAL 15 HA VAL 15 -10.981 1.123 -8.868 113 HB VAL 15 HB VAL 15 -11.640 3.280 -8.049 114 1HG1 VAL 15 1HG1 VAL 15 -10.095 4.896 -7.094 115 2HG1 VAL 15 2HG1 VAL 15 -10.389 3.496 -6.065 116 3HG1 VAL 15 3HG1 VAL 15 -8.842 3.645 -6.942 117 1HG2 VAL 15 1HG2 VAL 15 -10.560 3.093 -10.274 118 2HG2 VAL 15 2HG2 VAL 15 -10.319 4.674 -9.507 119 3HG2 VAL 15 3HG2 VAL 15 -8.994 3.495 -9.535 120 H LYS 16 H LYS 16 -8.441 1.351 -6.302 121 HA LYS 16 HA LYS 16 -6.225 1.218 -8.106 122 1HB LYS 16 2HB LYS 16 -6.575 0.184 -5.268 123 2HB LYS 16 3HB LYS 16 -5.059 0.039 -6.168 124 1HG LYS 16 2HG LYS 16 -4.904 2.438 -6.456 125 2HG LYS 16 3HG LYS 16 -6.480 2.685 -5.676 126 1HD LYS 16 2HD LYS 16 -5.676 1.828 -3.568 127 2HD LYS 16 3HD LYS 16 -4.138 1.303 -4.269 128 1HE LYS 16 2HE LYS 16 -5.035 4.212 -4.278 129 2HE LYS 16 3HE LYS 16 -4.111 3.499 -2.942 130 1HZ LYS 16 1HZ LYS 16 -2.390 2.960 -4.509 131 2HZ LYS 16 2HZ LYS 16 -3.244 3.631 -5.748 132 3HZ LYS 16 3HZ LYS 16 -2.696 4.578 -4.517 133 H VAL 17 H VAL 17 -7.844 -1.495 -6.414 134 HA VAL 17 HA VAL 17 -6.428 -3.590 -7.634 135 HB VAL 17 HB VAL 17 -9.255 -3.427 -6.524 136 1HG1 VAL 17 1HG1 VAL 17 -9.171 -5.923 -6.385 137 2HG1 VAL 17 2HG1 VAL 17 -9.285 -5.329 -8.043 138 3HG1 VAL 17 3HG1 VAL 17 -7.720 -5.902 -7.411 139 1HG2 VAL 17 1HG2 VAL 17 -7.306 -3.099 -4.944 140 2HG2 VAL 17 2HG2 VAL 17 -8.251 -4.553 -4.593 141 3HG2 VAL 17 3HG2 VAL 17 -6.692 -4.685 -5.433 142 H LEU 18 H LEU 18 -9.538 -2.127 -8.742 143 HA LEU 18 HA LEU 18 -9.742 -3.762 -11.073 144 1HB LEU 18 2HB LEU 18 -10.827 -0.984 -10.477 145 2HB LEU 18 3HB LEU 18 -11.236 -1.912 -11.923 146 HG LEU 18 HG LEU 18 -11.827 -2.816 -9.068 147 1HD1 LEU 18 1HD1 LEU 18 -13.137 -0.847 -9.797 148 2HD1 LEU 18 2HD1 LEU 18 -13.612 -1.714 -11.277 149 3HD1 LEU 18 3HD1 LEU 18 -14.160 -2.292 -9.685 150 1HD2 LEU 18 1HD2 LEU 18 -12.554 -4.019 -11.781 151 2HD2 LEU 18 2HD2 LEU 18 -11.592 -4.787 -10.496 152 3HD2 LEU 18 3HD2 LEU 18 -13.307 -4.481 -10.241 153 H LEU 19 H LEU 19 -8.225 -0.542 -10.610 154 HA LEU 19 HA LEU 19 -7.518 -0.077 -13.307 155 1HB LEU 19 2HB LEU 19 -7.458 1.657 -11.707 156 2HB LEU 19 3HB LEU 19 -6.321 0.821 -10.660 157 HG LEU 19 HG LEU 19 -5.352 1.422 -13.434 158 1HD1 LEU 19 1HD1 LEU 19 -6.518 3.496 -12.868 159 2HD1 LEU 19 2HD1 LEU 19 -5.704 3.552 -11.289 160 3HD1 LEU 19 3HD1 LEU 19 -4.766 3.734 -12.788 161 1HD2 LEU 19 1HD2 LEU 19 -4.125 1.681 -10.648 162 2HD2 LEU 19 2HD2 LEU 19 -3.878 0.308 -11.745 163 3HD2 LEU 19 3HD2 LEU 19 -3.270 1.906 -12.187 164 H GLU 20 H GLU 20 -5.758 -1.809 -10.699 165 HA GLU 20 HA GLU 20 -3.464 -2.456 -12.284 166 1HB GLU 20 2HB GLU 20 -4.708 -3.809 -9.858 167 2HB GLU 20 3HB GLU 20 -3.148 -4.269 -10.554 168 1HG GLU 20 2HG GLU 20 -2.187 -2.109 -10.083 169 2HG GLU 20 3HG GLU 20 -3.746 -1.422 -9.625 170 H LYS 21 H LYS 21 -6.443 -4.364 -11.594 171 HA LYS 21 HA LYS 21 -5.462 -6.620 -13.120 172 1HB LYS 21 2HB LYS 21 -8.192 -5.985 -11.945 173 2HB LYS 21 3HB LYS 21 -7.732 -7.531 -12.679 174 1HG LYS 21 2HG LYS 21 -6.007 -7.896 -10.984 175 2HG LYS 21 3HG LYS 21 -6.278 -6.289 -10.302 176 1HD LYS 21 2HD LYS 21 -7.384 -7.893 -8.900 177 2HD LYS 21 3HD LYS 21 -8.608 -6.903 -9.715 178 1HE LYS 21 2HE LYS 21 -9.069 -8.729 -11.307 179 2HE LYS 21 3HE LYS 21 -7.745 -9.694 -10.623 180 1HZ LYS 21 1HZ LYS 21 -10.168 -8.841 -9.201 181 2HZ LYS 21 2HZ LYS 21 -9.871 -10.351 -9.791 182 3HZ LYS 21 3HZ LYS 21 -8.950 -9.751 -8.564 183 H SER 22 H SER 22 -8.075 -4.264 -13.731 184 HA SER 22 HA SER 22 -9.074 -5.640 -16.030 185 1HB SER 22 2HB SER 22 -9.754 -2.797 -15.212 186 2HB SER 22 3HB SER 22 -10.766 -4.010 -16.013 187 HG SER 22 HG SER 22 -9.878 -3.861 -13.344 188 H THR 23 H THR 23 -6.490 -5.216 -16.729 189 HA THR 23 HA THR 23 -5.606 -2.866 -17.821 190 HB THR 23 HB THR 23 -4.096 -4.290 -19.210 191 HG1 THR 23 HG1 THR 23 -5.396 -6.444 -17.886 192 1HG2 THR 23 1HG2 THR 23 -3.528 -3.659 -16.888 193 2HG2 THR 23 2HG2 THR 23 -4.375 -5.087 -16.271 194 3HG2 THR 23 3HG2 THR 23 -2.937 -5.280 -17.289 195 H ARG 24 H ARG 24 -8.132 -4.732 -19.282 196 HA ARG 24 HA ARG 24 -7.598 -4.006 -22.018 197 1HB ARG 24 2HB ARG 24 -10.199 -4.928 -20.718 198 2HB ARG 24 3HB ARG 24 -9.833 -4.907 -22.444 199 1HG ARG 24 2HG ARG 24 -8.626 -6.726 -20.316 200 2HG ARG 24 3HG ARG 24 -9.674 -7.138 -21.670 201 1HD ARG 24 2HD ARG 24 -7.662 -7.778 -22.549 202 2HD ARG 24 3HD ARG 24 -7.725 -6.103 -23.141 203 HE ARG 24 HE ARG 24 -6.464 -6.234 -20.552 204 1HH1 ARG 24 1HH1 ARG 24 -5.809 -7.036 -23.930 205 2HH1 ARG 24 2HH1 ARG 24 -4.079 -7.083 -23.718 206 1HH2 ARG 24 2HH2 ARG 24 -4.294 -6.360 -20.238 207 2HH2 ARG 24 1HH2 ARG 24 -3.173 -6.653 -21.556 208 H LYS 25 H LYS 25 -7.202 -1.678 -21.346 209 HA LYS 25 HA LYS 25 -7.649 0.418 -21.989 210 1HB LYS 25 2HB LYS 25 -8.897 -0.714 -23.854 211 2HB LYS 25 3HB LYS 25 -10.396 -0.466 -22.937 212 1HG LYS 25 2HG LYS 25 -9.994 1.990 -22.955 213 2HG LYS 25 3HG LYS 25 -8.509 1.726 -23.892 214 1HD LYS 25 2HD LYS 25 -9.841 0.683 -25.711 215 2HD LYS 25 3HD LYS 25 -11.323 0.906 -24.759 216 1HE LYS 25 2HE LYS 25 -10.976 3.372 -24.794 217 2HE LYS 25 3HE LYS 25 -9.502 3.150 -25.757 218 1HZ LYS 25 1HZ LYS 25 -11.376 3.685 -27.114 219 2HZ LYS 25 2HZ LYS 25 -10.847 2.166 -27.467 220 3HZ LYS 25 3HZ LYS 25 -12.215 2.375 -26.572 221 H ARG 26 H ARG 26 -10.536 -0.958 -20.395 222 HA ARG 26 HA ARG 26 -11.729 1.414 -19.660 223 1HB ARG 26 2HB ARG 26 -13.007 0.150 -18.009 224 2HB ARG 26 3HB ARG 26 -12.957 -0.611 -19.583 225 1HG ARG 26 2HG ARG 26 -11.483 -2.341 -18.877 226 2HG ARG 26 3HG ARG 26 -11.018 -1.480 -17.402 227 1HD ARG 26 2HD ARG 26 -13.855 -2.450 -17.963 228 2HD ARG 26 3HD ARG 26 -12.664 -3.363 -17.027 229 HE ARG 26 HE ARG 26 -12.872 -0.687 -16.004 230 1HH1 ARG 26 2HH1 ARG 26 -14.647 -3.746 -15.975 231 2HH1 ARG 26 1HH1 ARG 26 -15.534 -3.348 -14.527 232 1HH2 ARG 26 1HH2 ARG 26 -13.993 -0.138 -14.275 233 2HH2 ARG 26 2HH2 ARG 26 -15.129 -1.219 -13.479 234 H LEU 27 H LEU 27 -8.790 0.468 -18.320 235 HA LEU 27 HA LEU 27 -8.678 1.351 -15.688 236 1HB LEU 27 2HB LEU 27 -6.881 1.631 -18.113 237 2HB LEU 27 3HB LEU 27 -6.487 2.556 -16.664 238 HG LEU 27 HG LEU 27 -6.280 0.630 -15.305 239 1HD1 LEU 27 1HD1 LEU 27 -7.149 -1.008 -17.704 240 2HD1 LEU 27 2HD1 LEU 27 -6.513 -1.658 -16.169 241 3HD1 LEU 27 3HD1 LEU 27 -8.055 -0.816 -16.180 242 1HD2 LEU 27 1HD2 LEU 27 -4.899 0.123 -17.979 243 2HD2 LEU 27 2HD2 LEU 27 -4.335 1.255 -16.728 244 3HD2 LEU 27 3HD2 LEU 27 -4.377 -0.486 -16.394 245 H ARG 28 H ARG 28 -8.532 3.442 -18.617 246 HA ARG 28 HA ARG 28 -8.356 5.870 -17.181 247 1HB ARG 28 2HB ARG 28 -7.817 5.615 -19.568 248 2HB ARG 28 3HB ARG 28 -9.530 5.382 -19.956 249 1HG ARG 28 2HG ARG 28 -10.048 7.659 -19.116 250 2HG ARG 28 3HG ARG 28 -8.354 7.894 -18.657 251 1HD ARG 28 2HD ARG 28 -9.356 7.376 -21.493 252 2HD ARG 28 3HD ARG 28 -8.984 8.973 -20.805 253 HE ARG 28 HE ARG 28 -6.721 7.299 -20.450 254 1HH1 ARG 28 1HH2 ARG 28 -8.498 8.922 -23.030 255 2HH1 ARG 28 2HH2 ARG 28 -7.101 9.165 -24.045 256 1HH2 ARG 28 2HH1 ARG 28 -4.881 7.583 -21.770 257 2HH2 ARG 28 1HH1 ARG 28 -5.009 8.377 -23.315 258 H ASP 29 H ASP 29 -11.228 4.359 -18.688 259 HA ASP 29 HA ASP 29 -13.159 6.230 -17.924 260 1HB ASP 29 2HB ASP 29 -13.523 3.204 -18.197 261 2HB ASP 29 3HB ASP 29 -14.786 4.432 -18.308 262 H THR 30 H THR 30 -12.253 3.197 -16.314 263 HA THR 30 HA THR 30 -13.988 3.327 -14.094 264 HB THR 30 HB THR 30 -11.261 1.974 -14.379 265 HG1 THR 30 HG1 THR 30 -12.590 1.317 -15.950 266 1HG2 THR 30 1HG2 THR 30 -12.164 0.383 -12.701 267 2HG2 THR 30 2HG2 THR 30 -12.006 2.003 -12.007 268 3HG2 THR 30 3HG2 THR 30 -13.604 1.404 -12.492 269 H LEU 31 H LEU 31 -10.526 4.281 -14.384 270 HA LEU 31 HA LEU 31 -10.163 5.205 -11.778 271 1HB LEU 31 2HB LEU 31 -8.396 4.772 -13.400 272 2HB LEU 31 3HB LEU 31 -8.884 6.144 -14.387 273 HG LEU 31 HG LEU 31 -6.838 6.419 -12.993 274 1HD1 LEU 31 1HD1 LEU 31 -7.176 8.693 -12.403 275 2HD1 LEU 31 2HD1 LEU 31 -8.129 8.370 -13.860 276 3HD1 LEU 31 3HD1 LEU 31 -8.928 8.507 -12.278 277 1HD2 LEU 31 1HD2 LEU 31 -8.712 6.601 -10.603 278 2HD2 LEU 31 2HD2 LEU 31 -7.647 5.225 -10.968 279 3HD2 LEU 31 3HD2 LEU 31 -6.952 6.817 -10.618 280 H THR 32 H THR 32 -11.015 7.104 -14.712 281 HA THR 32 HA THR 32 -11.263 9.587 -13.427 282 HB THR 32 HB THR 32 -12.837 8.619 -15.859 283 HG1 THR 32 HG1 THR 32 -10.681 8.272 -16.216 284 1HG2 THR 32 1HG2 THR 32 -11.918 11.401 -14.995 285 2HG2 THR 32 2HG2 THR 32 -12.719 10.999 -16.525 286 3HG2 THR 32 3HG2 THR 32 -13.600 10.824 -14.997 287 H SER 33 H SER 33 -13.901 7.260 -14.245 288 HA SER 33 HA SER 33 -15.978 8.806 -13.093 289 1HB SER 33 2HB SER 33 -17.271 6.673 -13.136 290 2HB SER 33 3HB SER 33 -16.469 7.042 -14.672 291 HG SER 33 HG SER 33 -14.871 5.544 -14.166 292 H GLU 34 H GLU 34 -14.306 5.936 -11.738 293 HA GLU 34 HA GLU 34 -15.715 6.009 -9.302 294 1HB GLU 34 2HB GLU 34 -14.473 4.111 -10.410 295 2HB GLU 34 3HB GLU 34 -12.978 4.743 -9.705 296 1HG GLU 34 2HG GLU 34 -13.888 4.400 -7.446 297 2HG GLU 34 3HG GLU 34 -15.482 3.995 -8.103 298 H LYS 35 H LYS 35 -12.470 7.423 -10.127 299 HA LYS 35 HA LYS 35 -11.957 8.434 -7.513 300 1HB LYS 35 2HB LYS 35 -10.278 8.329 -9.309 301 2HB LYS 35 3HB LYS 35 -11.110 9.641 -10.173 302 1HG LYS 35 2HG LYS 35 -10.773 11.129 -8.188 303 2HG LYS 35 3HG LYS 35 -9.925 9.830 -7.355 304 1HD LYS 35 2HD LYS 35 -9.091 11.228 -9.944 305 2HD LYS 35 3HD LYS 35 -8.387 11.494 -8.346 306 1HE LYS 35 2HE LYS 35 -8.206 8.958 -10.025 307 2HE LYS 35 3HE LYS 35 -6.902 10.084 -9.648 308 1HZ LYS 35 1HZ LYS 35 -6.795 8.173 -8.265 309 2HZ LYS 35 2HZ LYS 35 -7.151 9.488 -7.335 310 3HZ LYS 35 3HZ LYS 35 -8.330 8.400 -7.716 311 H SER 36 H SER 36 -13.687 9.918 -10.334 312 HA SER 36 HA SER 36 -14.234 12.386 -9.058 313 1HB SER 36 2HB SER 36 -15.953 10.920 -11.109 314 2HB SER 36 3HB SER 36 -16.082 12.629 -10.653 315 HG SER 36 HG SER 36 -13.857 11.331 -11.847 316 H LYS 37 H LYS 37 -16.245 9.380 -9.097 317 HA LYS 37 HA LYS 37 -18.308 10.317 -7.405 318 1HB LYS 37 2HB LYS 37 -17.111 7.537 -7.711 319 2HB LYS 37 3HB LYS 37 -18.572 7.874 -6.787 320 1HG LYS 37 2HG LYS 37 -18.258 8.517 -9.750 321 2HG LYS 37 3HG LYS 37 -18.948 7.020 -9.110 322 1HD LYS 37 2HD LYS 37 -20.665 8.392 -7.867 323 2HD LYS 37 3HD LYS 37 -20.071 9.835 -8.707 324 1HE LYS 37 2HE LYS 37 -21.225 7.340 -10.038 325 2HE LYS 37 3HE LYS 37 -22.063 8.882 -9.812 326 1HZ LYS 37 1HZ LYS 37 -21.162 8.698 -11.997 327 2HZ LYS 37 2HZ LYS 37 -20.411 9.921 -11.188 328 3HZ LYS 37 3HZ LYS 37 -19.636 8.484 -11.414 329 H ILE 38 H ILE 38 -15.291 8.567 -6.445 330 HA ILE 38 HA ILE 38 -15.696 8.646 -3.684 331 HB ILE 38 HB ILE 38 -13.136 8.783 -5.312 332 1HG1 ILE 38 2HG1 ILE 38 -14.239 6.509 -3.610 333 2HG1 ILE 38 3HG1 ILE 38 -14.676 6.706 -5.305 334 1HG2 ILE 38 1HG2 ILE 38 -13.434 8.478 -2.293 335 2HG2 ILE 38 2HG2 ILE 38 -11.934 8.170 -3.186 336 3HG2 ILE 38 3HG2 ILE 38 -12.594 9.791 -3.140 337 1HD1 ILE 38 1HD1 ILE 38 -12.849 5.119 -5.147 338 2HD1 ILE 38 2HD1 ILE 38 -12.278 6.585 -5.956 339 3HD1 ILE 38 3HD1 ILE 38 -11.848 6.269 -4.261 340 H GLU 39 H GLU 39 -13.916 11.094 -5.638 341 HA GLU 39 HA GLU 39 -13.455 12.839 -3.445 342 1HB GLU 39 2HB GLU 39 -13.584 13.350 -6.450 343 2HB GLU 39 3HB GLU 39 -13.040 14.552 -5.276 344 1HG GLU 39 2HG GLU 39 -11.759 11.814 -5.728 345 2HG GLU 39 3HG GLU 39 -11.121 13.367 -6.276 346 H THR 40 H THR 40 -16.138 12.754 -5.784 347 HA THR 40 HA THR 40 -17.464 15.117 -4.947 348 HB THR 40 HB THR 40 -18.595 12.514 -6.070 349 HG1 THR 40 HG1 THR 40 -17.114 13.541 -7.409 350 1HG2 THR 40 1HG2 THR 40 -20.422 13.830 -5.078 351 2HG2 THR 40 2HG2 THR 40 -19.841 15.287 -5.927 352 3HG2 THR 40 3HG2 THR 40 -20.464 13.901 -6.849 353 H GLU 41 H GLU 41 -17.932 11.702 -3.842 354 HA GLU 41 HA GLU 41 -19.832 12.277 -1.808 355 1HB GLU 41 2HB GLU 41 -17.756 10.076 -2.096 356 2HB GLU 41 3HB GLU 41 -19.005 10.093 -0.838 357 1HG GLU 41 2HG GLU 41 -20.780 10.005 -2.493 358 2HG GLU 41 3HG GLU 41 -19.636 10.197 -3.825 359 H LEU 42 H LEU 42 -16.287 11.908 -1.613 360 HA LEU 42 HA LEU 42 -15.852 12.304 1.086 361 1HB LEU 42 2HB LEU 42 -14.199 11.675 -0.771 362 2HB LEU 42 3HB LEU 42 -14.125 13.380 -1.188 363 HG LEU 42 HG LEU 42 -13.357 13.769 1.249 364 1HD1 LEU 42 1HD1 LEU 42 -13.989 11.539 2.169 365 2HD1 LEU 42 2HD1 LEU 42 -12.925 10.744 0.989 366 3HD1 LEU 42 3HD1 LEU 42 -12.233 11.758 2.263 367 1HD2 LEU 42 1HD2 LEU 42 -11.031 13.184 0.656 368 2HD2 LEU 42 2HD2 LEU 42 -11.619 12.155 -0.669 369 3HD2 LEU 42 3HD2 LEU 42 -11.871 13.910 -0.724 370 H LYS 43 H LYS 43 -15.746 14.866 -1.460 371 HA LYS 43 HA LYS 43 -15.459 16.937 0.500 372 1HB LYS 43 2HB LYS 43 -16.301 17.052 -2.427 373 2HB LYS 43 3HB LYS 43 -15.822 18.467 -1.495 374 1HG LYS 43 2HG LYS 43 -13.904 16.123 -1.906 375 2HG LYS 43 3HG LYS 43 -14.164 17.347 -3.123 376 1HD LYS 43 2HD LYS 43 -12.214 17.946 -1.915 377 2HD LYS 43 3HD LYS 43 -13.464 19.150 -1.614 378 1HE LYS 43 2HE LYS 43 -12.076 18.536 0.386 379 2HE LYS 43 3HE LYS 43 -13.801 18.328 0.649 380 1HZ LYS 43 1HZ LYS 43 -12.554 16.461 1.455 381 2HZ LYS 43 2HZ LYS 43 -13.493 15.975 0.196 382 3HZ LYS 43 3HZ LYS 43 -11.877 16.203 -0.027 383 H ASN 44 H ASN 44 -18.260 15.551 -1.216 384 HA ASN 44 HA ASN 44 -20.209 17.447 -0.488 385 1HB ASN 44 2HB ASN 44 -20.806 15.820 -2.077 386 2HB ASN 44 3HB ASN 44 -20.377 14.480 -1.006 387 1HD2 ASN 44 1HD2 ASN 44 -21.837 13.685 0.445 388 2HD2 ASN 44 2HD2 ASN 44 -23.470 14.320 0.615 389 H LYS 45 H LYS 45 -18.868 14.659 1.365 390 HA LYS 45 HA LYS 45 -20.533 15.257 3.699 391 1HB LYS 45 2HB LYS 45 -17.983 13.617 3.456 392 2HB LYS 45 3HB LYS 45 -19.019 13.725 4.883 393 1HG LYS 45 2HG LYS 45 -19.795 12.559 2.181 394 2HG LYS 45 3HG LYS 45 -19.474 11.680 3.677 395 1HD LYS 45 2HD LYS 45 -21.413 12.966 4.736 396 2HD LYS 45 3HD LYS 45 -21.820 13.556 3.115 397 1HE LYS 45 2HE LYS 45 -21.724 10.644 4.001 398 2HE LYS 45 3HE LYS 45 -23.178 11.603 3.702 399 1HZ LYS 45 1HZ LYS 45 -22.636 10.216 1.850 400 2HZ LYS 45 2HZ LYS 45 -22.523 11.801 1.419 401 3HZ LYS 45 3HZ LYS 45 -21.155 10.917 1.686 402 H MET 46 H MET 46 -17.055 15.890 2.922 403 HA MET 46 HA MET 46 -16.587 17.139 5.423 404 1HB MET 46 2HB MET 46 -15.112 17.428 2.778 405 2HB MET 46 3HB MET 46 -14.545 18.104 4.313 406 1HG MET 46 2HG MET 46 -14.516 15.860 5.324 407 2HG MET 46 3HG MET 46 -15.087 15.164 3.806 408 1HE MET 46 1HE MET 46 -11.598 13.727 3.747 409 2HE MET 46 2HE MET 46 -12.660 13.924 5.170 410 3HE MET 46 3HE MET 46 -13.363 13.496 3.590 411 H GLN 47 H GLN 47 -16.977 18.795 2.261 412 HA GLN 47 HA GLN 47 -17.288 21.374 3.752 413 1HB GLN 47 2HB GLN 47 -16.535 22.486 1.706 414 2HB GLN 47 3HB GLN 47 -15.362 21.428 2.476 415 1HG GLN 47 2HG GLN 47 -15.000 21.083 0.241 416 2HG GLN 47 3HG GLN 47 -15.918 19.662 0.693 417 1HE2 GLN 47 1HE2 GLN 47 -18.075 19.442 -0.242 418 2HE2 GLN 47 2HE2 GLN 47 -18.662 20.533 -1.487 419 H GLN 48 H GLN 48 -18.915 19.182 1.630 420 HA GLN 48 HA GLN 48 -20.890 19.152 0.657 421 1HB GLN 48 2HB GLN 48 -21.399 19.232 3.089 422 2HB GLN 48 3HB GLN 48 -21.852 20.923 2.933 423 1HG GLN 48 2HG GLN 48 -23.761 20.450 1.698 424 2HG GLN 48 3HG GLN 48 -23.106 18.967 0.991 425 1HE2 GLN 48 1HE2 GLN 48 -22.485 17.257 2.809 426 2HE2 GLN 48 2HE2 GLN 48 -23.801 16.944 3.944 427 H LYS 49 H LYS 49 -21.073 22.537 1.698 428 HA LYS 49 HA LYS 49 -21.853 24.397 0.727 429 1HB LYS 49 2HB LYS 49 -20.790 23.327 -1.909 430 2HB LYS 49 3HB LYS 49 -21.154 25.005 -1.480 431 1HG LYS 49 2HG LYS 49 -19.430 24.773 0.407 432 2HG LYS 49 3HG LYS 49 -18.962 23.240 -0.332 433 1HD LYS 49 2HD LYS 49 -18.790 26.026 -1.560 434 2HD LYS 49 3HD LYS 49 -17.459 24.948 -1.102 435 1HE LYS 49 2HE LYS 49 -18.310 23.303 -2.857 436 2HE LYS 49 3HE LYS 49 -19.434 24.564 -3.400 437 1HZ LYS 49 1HZ LYS 49 -16.511 24.780 -3.331 438 2HZ LYS 49 2HZ LYS 49 -17.440 24.558 -4.672 439 3HZ LYS 49 3HZ LYS 49 -17.548 25.966 -3.821 440 H SER 50 H SER 50 -22.609 21.769 -1.593 441 HA SER 50 HA SER 50 -25.009 22.898 -2.605 442 1HB SER 50 2HB SER 50 -23.726 20.999 -3.622 443 2HB SER 50 3HB SER 50 -24.298 19.947 -2.306 444 HG SER 50 HG SER 50 -25.648 19.830 -4.169 445 H GLN 51 H GLN 51 -26.897 23.269 -1.543 446 HA GLN 51 HA GLN 51 -27.401 22.237 1.119 447 1HB GLN 51 2HB GLN 51 -28.952 23.957 -0.847 448 2HB GLN 51 3HB GLN 51 -29.693 23.417 0.650 449 1HG GLN 51 2HG GLN 51 -27.119 25.028 0.475 450 2HG GLN 51 3HG GLN 51 -28.720 25.666 0.871 451 1HE2 GLN 51 1HE2 GLN 51 -29.569 23.356 2.656 452 2HE2 GLN 51 2HE2 GLN 51 -28.599 23.666 4.087 453 H LYS 52 H LYS 52 -27.083 19.958 0.254 454 HA LYS 52 HA LYS 52 -29.521 18.680 -0.791 455 1HB LYS 52 2HB LYS 52 -28.340 16.597 -0.202 456 2HB LYS 52 3HB LYS 52 -27.436 17.629 -1.304 457 1HG LYS 52 2HG LYS 52 -25.852 18.268 0.288 458 2HG LYS 52 3HG LYS 52 -26.862 17.853 1.668 459 1HD LYS 52 2HD LYS 52 -25.558 15.890 -0.277 460 2HD LYS 52 3HD LYS 52 -24.976 16.293 1.338 461 1HE LYS 52 2HE LYS 52 -27.485 14.726 0.609 462 2HE LYS 52 3HE LYS 52 -26.091 14.200 1.550 463 1HZ LYS 52 1HZ LYS 52 -28.082 16.202 2.356 464 2HZ LYS 52 2HZ LYS 52 -27.907 14.683 2.965 465 3HZ LYS 52 3HZ LYS 52 -26.736 15.814 3.232 466 H LYS 53 H LYS 53 -30.319 20.342 1.198 467 HA LYS 53 HA LYS 53 -31.657 18.879 3.161 468 1HB LYS 53 2HB LYS 53 -30.378 19.523 5.197 469 2HB LYS 53 3HB LYS 53 -29.451 18.427 4.184 470 1HG LYS 53 2HG LYS 53 -28.318 20.541 3.194 471 2HG LYS 53 3HG LYS 53 -29.093 21.432 4.515 472 1HD LYS 53 2HD LYS 53 -27.964 19.840 6.141 473 2HD LYS 53 3HD LYS 53 -27.144 19.110 4.750 474 1HE LYS 53 2HE LYS 53 -26.254 21.433 4.170 475 2HE LYS 53 3HE LYS 53 -26.905 22.002 5.719 476 1HZ LYS 53 1HZ LYS 53 -25.502 20.338 6.783 477 2HZ LYS 53 2HZ LYS 53 -24.917 19.890 5.301 478 3HZ LYS 53 3HZ LYS 53 -24.613 21.402 5.885 479 HA PRO 54 HA PRO 54 -33.333 23.071 3.228 480 1HB PRO 54 2HB PRO 54 -34.937 22.965 5.442 481 2HB PRO 54 3HB PRO 54 -35.327 22.107 3.924 482 1HG PRO 54 2HG PRO 54 -33.981 20.960 6.389 483 2HG PRO 54 3HG PRO 54 -35.358 20.279 5.476 484 1HD PRO 54 2HD PRO 54 -32.814 19.441 5.072 485 2HD PRO 54 3HD PRO 54 -33.957 19.592 3.706 486 H GLU 55 H GLU 55 -31.752 21.601 6.013 487 HA GLU 55 HA GLU 55 -31.421 23.708 7.786 488 1HB GLU 55 2HB GLU 55 -29.395 21.568 7.002 489 2HB GLU 55 3HB GLU 55 -29.327 22.540 8.473 490 1HG GLU 55 2HG GLU 55 -31.426 21.555 9.278 491 2HG GLU 55 3HG GLU 55 -31.609 20.617 7.788 Start of MODEL 11 1 1H MET 1 H MET 1 -16.993 11.008 10.731 2 HA MET 1 HA MET 1 -15.506 11.444 9.023 3 1HB MET 1 2HB MET 1 -13.407 11.463 11.242 4 2HB MET 1 3HB MET 1 -13.118 11.885 9.546 5 1HG MET 1 2HG MET 1 -14.733 13.749 9.721 6 2HG MET 1 3HG MET 1 -15.085 13.298 11.392 7 1HE MET 1 1HE MET 1 -11.467 13.480 9.661 8 2HE MET 1 2HE MET 1 -12.431 14.796 8.937 9 3HE MET 1 3HE MET 1 -11.086 15.172 10.039 10 H ALA 2 H ALA 2 -14.252 9.173 11.445 11 HA ALA 2 HA ALA 2 -12.606 7.534 9.975 12 1HB ALA 2 1HB ALA 2 -14.596 6.656 12.111 13 2HB ALA 2 2HB ALA 2 -13.177 5.737 11.565 14 3HB ALA 2 3HB ALA 2 -12.960 7.293 12.387 15 H SER 3 H SER 3 -16.176 7.102 10.290 16 HA SER 3 HA SER 3 -16.617 4.949 8.654 17 1HB SER 3 2HB SER 3 -18.363 7.435 8.674 18 2HB SER 3 3HB SER 3 -18.853 5.737 8.559 19 HG SER 3 HG SER 3 -18.052 5.479 10.711 20 H VAL 4 H VAL 4 -16.347 8.405 7.647 21 HA VAL 4 HA VAL 4 -16.936 7.888 4.870 22 HB VAL 4 HB VAL 4 -15.559 10.217 6.235 23 1HG1 VAL 4 1HG1 VAL 4 -14.996 10.273 3.889 24 2HG1 VAL 4 2HG1 VAL 4 -16.673 9.925 3.420 25 3HG1 VAL 4 3HG1 VAL 4 -16.250 11.483 4.168 26 1HG2 VAL 4 1HG2 VAL 4 -17.859 9.906 7.064 27 2HG2 VAL 4 2HG2 VAL 4 -17.773 11.327 6.022 28 3HG2 VAL 4 3HG2 VAL 4 -18.457 9.810 5.396 29 H LEU 5 H LEU 5 -13.923 8.341 6.785 30 HA LEU 5 HA LEU 5 -12.108 8.115 4.618 31 1HB LEU 5 2HB LEU 5 -11.723 7.166 7.484 32 2HB LEU 5 3HB LEU 5 -10.443 7.380 6.292 33 HG LEU 5 HG LEU 5 -12.217 9.616 7.378 34 1HD1 LEU 5 1HD1 LEU 5 -10.648 8.694 9.054 35 2HD1 LEU 5 2HD1 LEU 5 -9.299 8.937 7.923 36 3HD1 LEU 5 3HD1 LEU 5 -10.192 10.333 8.564 37 1HD2 LEU 5 1HD2 LEU 5 -10.536 11.110 6.292 38 2HD2 LEU 5 2HD2 LEU 5 -9.824 9.693 5.495 39 3HD2 LEU 5 3HD2 LEU 5 -11.490 10.197 5.123 40 H GLU 6 H GLU 6 -13.338 5.441 6.743 41 HA GLU 6 HA GLU 6 -11.945 3.472 5.215 42 1HB GLU 6 2HB GLU 6 -13.201 1.784 6.348 43 2HB GLU 6 3HB GLU 6 -12.623 3.013 7.479 44 1HG GLU 6 2HG GLU 6 -14.877 4.031 7.489 45 2HG GLU 6 3HG GLU 6 -15.482 2.745 6.432 46 H GLU 7 H GLU 7 -15.310 4.715 4.894 47 HA GLU 7 HA GLU 7 -16.219 2.988 2.856 48 1HB GLU 7 2HB GLU 7 -16.700 5.958 3.321 49 2HB GLU 7 3HB GLU 7 -17.575 5.025 2.110 50 1HG GLU 7 2HG GLU 7 -18.709 3.730 3.717 51 2HG GLU 7 3HG GLU 7 -17.568 4.122 5.000 52 H LEU 8 H LEU 8 -14.582 6.173 2.456 53 HA LEU 8 HA LEU 8 -14.420 5.935 -0.396 54 1HB LEU 8 2HB LEU 8 -12.794 7.652 1.506 55 2HB LEU 8 3HB LEU 8 -12.912 7.914 -0.244 56 HG LEU 8 HG LEU 8 -15.284 8.092 1.664 57 1HD1 LEU 8 1HD1 LEU 8 -15.063 10.506 1.243 58 2HD1 LEU 8 2HD1 LEU 8 -13.599 9.851 2.008 59 3HD1 LEU 8 3HD1 LEU 8 -13.601 10.200 0.269 60 1HD2 LEU 8 1HD2 LEU 8 -15.038 8.719 -1.302 61 2HD2 LEU 8 2HD2 LEU 8 -16.051 7.454 -0.569 62 3HD2 LEU 8 3HD2 LEU 8 -16.404 9.153 -0.258 63 H GLN 9 H GLN 9 -12.099 5.055 2.210 64 HA GLN 9 HA GLN 9 -9.998 4.328 0.454 65 1HB GLN 9 2HB GLN 9 -9.826 4.610 2.947 66 2HB GLN 9 3HB GLN 9 -10.678 3.077 3.144 67 1HG GLN 9 2HG GLN 9 -8.262 2.757 3.371 68 2HG GLN 9 3HG GLN 9 -8.862 1.885 1.961 69 1HE2 GLN 9 1HE2 GLN 9 -7.883 5.351 2.501 70 2HE2 GLN 9 2HE2 GLN 9 -6.726 5.350 1.181 71 H LYS 10 H LYS 10 -12.786 2.388 1.679 72 HA LYS 10 HA LYS 10 -12.030 -0.062 0.463 73 1HB LYS 10 2HB LYS 10 -13.989 0.591 2.132 74 2HB LYS 10 3HB LYS 10 -14.943 0.758 0.666 75 1HG LYS 10 2HG LYS 10 -13.433 -1.686 1.700 76 2HG LYS 10 3HG LYS 10 -15.179 -1.450 1.712 77 1HD LYS 10 2HD LYS 10 -13.428 -1.868 -0.754 78 2HD LYS 10 3HD LYS 10 -14.507 -3.035 -0.004 79 1HE LYS 10 2HE LYS 10 -16.472 -1.578 -0.510 80 2HE LYS 10 3HE LYS 10 -15.401 -0.438 -1.340 81 1HZ LYS 10 1HZ LYS 10 -14.756 -2.247 -2.793 82 2HZ LYS 10 2HZ LYS 10 -15.873 -3.229 -2.088 83 3HZ LYS 10 3HZ LYS 10 -16.354 -1.883 -2.913 84 H ASP 11 H ASP 11 -14.037 2.679 -0.732 85 HA ASP 11 HA ASP 11 -14.516 1.559 -3.297 86 1HB ASP 11 2HB ASP 11 -15.713 3.520 -2.278 87 2HB ASP 11 3HB ASP 11 -14.297 4.522 -2.637 88 H LEU 12 H LEU 12 -11.792 3.568 -2.123 89 HA LEU 12 HA LEU 12 -10.407 3.858 -4.542 90 1HB LEU 12 2HB LEU 12 -9.873 4.962 -2.328 91 2HB LEU 12 3HB LEU 12 -9.092 3.447 -1.864 92 HG LEU 12 HG LEU 12 -7.877 3.759 -4.257 93 1HD1 LEU 12 1HD1 LEU 12 -8.488 6.616 -3.382 94 2HD1 LEU 12 2HD1 LEU 12 -7.390 6.125 -4.689 95 3HD1 LEU 12 3HD1 LEU 12 -9.131 5.827 -4.839 96 1HD2 LEU 12 1HD2 LEU 12 -7.107 5.220 -1.715 97 2HD2 LEU 12 2HD2 LEU 12 -6.780 3.516 -2.113 98 3HD2 LEU 12 3HD2 LEU 12 -6.021 4.803 -3.068 99 H GLU 13 H GLU 13 -10.183 1.292 -2.031 100 HA GLU 13 HA GLU 13 -8.333 -0.413 -3.288 101 1HB GLU 13 2HB GLU 13 -9.189 -0.614 -0.945 102 2HB GLU 13 3HB GLU 13 -10.710 -1.256 -1.583 103 1HG GLU 13 2HG GLU 13 -9.469 -3.146 -2.630 104 2HG GLU 13 3HG GLU 13 -7.957 -2.500 -1.968 105 H GLU 14 H GLU 14 -11.899 -0.271 -3.631 106 HA GLU 14 HA GLU 14 -12.192 -2.356 -5.477 107 1HB GLU 14 2HB GLU 14 -14.010 -0.965 -4.314 108 2HB GLU 14 3HB GLU 14 -13.829 0.205 -5.629 109 1HG GLU 14 2HG GLU 14 -14.321 -1.568 -7.288 110 2HG GLU 14 3HG GLU 14 -14.517 -2.743 -5.975 111 H VAL 15 H VAL 15 -11.530 1.171 -6.207 112 HA VAL 15 HA VAL 15 -11.441 0.558 -9.030 113 HB VAL 15 HB VAL 15 -11.930 2.745 -8.587 114 1HG1 VAL 15 1HG1 VAL 15 -10.884 3.138 -6.454 115 2HG1 VAL 15 2HG1 VAL 15 -9.249 3.064 -7.163 116 3HG1 VAL 15 3HG1 VAL 15 -10.353 4.389 -7.579 117 1HG2 VAL 15 1HG2 VAL 15 -9.089 2.866 -9.654 118 2HG2 VAL 15 2HG2 VAL 15 -10.454 2.229 -10.585 119 3HG2 VAL 15 3HG2 VAL 15 -10.466 3.914 -10.037 120 H LYS 16 H LYS 16 -8.848 0.652 -6.529 121 HA LYS 16 HA LYS 16 -6.718 0.206 -8.381 122 1HB LYS 16 2HB LYS 16 -7.038 -0.686 -5.497 123 2HB LYS 16 3HB LYS 16 -5.548 -0.881 -6.440 124 1HG LYS 16 2HG LYS 16 -5.496 1.564 -6.888 125 2HG LYS 16 3HG LYS 16 -6.919 1.791 -5.870 126 1HD LYS 16 2HD LYS 16 -4.217 0.682 -4.957 127 2HD LYS 16 3HD LYS 16 -4.801 2.338 -4.719 128 1HE LYS 16 2HE LYS 16 -6.758 1.397 -3.418 129 2HE LYS 16 3HE LYS 16 -5.979 -0.200 -3.507 130 1HZ LYS 16 1HZ LYS 16 -4.108 0.706 -2.364 131 2HZ LYS 16 2HZ LYS 16 -4.805 2.198 -2.295 132 3HZ LYS 16 3HZ LYS 16 -5.482 0.937 -1.482 133 H VAL 17 H VAL 17 -8.763 -2.224 -6.678 134 HA VAL 17 HA VAL 17 -7.615 -4.523 -7.861 135 HB VAL 17 HB VAL 17 -10.406 -3.925 -6.815 136 1HG1 VAL 17 1HG1 VAL 17 -10.744 -6.405 -6.771 137 2HG1 VAL 17 2HG1 VAL 17 -10.714 -5.746 -8.409 138 3HG1 VAL 17 3HG1 VAL 17 -9.284 -6.588 -7.766 139 1HG2 VAL 17 1HG2 VAL 17 -8.462 -3.984 -5.195 140 2HG2 VAL 17 2HG2 VAL 17 -9.657 -5.258 -4.906 141 3HG2 VAL 17 3HG2 VAL 17 -8.127 -5.639 -5.722 142 H LEU 18 H LEU 18 -10.421 -2.555 -9.026 143 HA LEU 18 HA LEU 18 -10.778 -4.062 -11.427 144 1HB LEU 18 2HB LEU 18 -11.367 -1.145 -10.823 145 2HB LEU 18 3HB LEU 18 -11.881 -1.979 -12.294 146 HG LEU 18 HG LEU 18 -12.757 -2.723 -9.466 147 1HD1 LEU 18 1HD1 LEU 18 -14.219 -1.383 -11.780 148 2HD1 LEU 18 2HD1 LEU 18 -14.929 -1.811 -10.205 149 3HD1 LEU 18 3HD1 LEU 18 -13.666 -0.570 -10.297 150 1HD2 LEU 18 1HD2 LEU 18 -13.557 -3.853 -12.184 151 2HD2 LEU 18 2HD2 LEU 18 -12.796 -4.738 -10.838 152 3HD2 LEU 18 3HD2 LEU 18 -14.444 -4.135 -10.673 153 H LEU 19 H LEU 19 -8.721 -1.229 -10.785 154 HA LEU 19 HA LEU 19 -7.822 -0.654 -13.370 155 1HB LEU 19 2HB LEU 19 -7.406 0.650 -11.215 156 2HB LEU 19 3HB LEU 19 -6.197 -0.553 -10.792 157 HG LEU 19 HG LEU 19 -5.171 0.139 -13.164 158 1HD1 LEU 19 1HD1 LEU 19 -6.588 2.670 -12.172 159 2HD1 LEU 19 2HD1 LEU 19 -5.511 2.543 -13.578 160 3HD1 LEU 19 3HD1 LEU 19 -7.099 1.748 -13.592 161 1HD2 LEU 19 1HD2 LEU 19 -3.767 1.773 -11.944 162 2HD2 LEU 19 2HD2 LEU 19 -4.913 1.738 -10.586 163 3HD2 LEU 19 3HD2 LEU 19 -3.999 0.277 -11.024 164 H GLU 20 H GLU 20 -6.393 -2.794 -10.880 165 HA GLU 20 HA GLU 20 -4.296 -3.884 -12.447 166 1HB GLU 20 2HB GLU 20 -5.861 -5.015 -10.091 167 2HB GLU 20 3HB GLU 20 -4.394 -5.753 -10.749 168 1HG GLU 20 2HG GLU 20 -3.050 -3.843 -10.168 169 2HG GLU 20 3HG GLU 20 -4.459 -2.863 -9.765 170 H LYS 21 H LYS 21 -7.608 -5.200 -11.838 171 HA LYS 21 HA LYS 21 -7.084 -7.551 -13.398 172 1HB LYS 21 2HB LYS 21 -9.656 -6.324 -12.343 173 2HB LYS 21 3HB LYS 21 -9.581 -7.874 -13.201 174 1HG LYS 21 2HG LYS 21 -8.011 -8.773 -11.542 175 2HG LYS 21 3HG LYS 21 -8.024 -7.237 -10.654 176 1HD LYS 21 2HD LYS 21 -10.409 -7.473 -10.180 177 2HD LYS 21 3HD LYS 21 -10.509 -8.939 -11.175 178 1HE LYS 21 2HE LYS 21 -8.998 -10.138 -9.664 179 2HE LYS 21 3HE LYS 21 -8.741 -8.678 -8.697 180 1HZ LYS 21 1HZ LYS 21 -10.337 -10.123 -7.701 181 2HZ LYS 21 2HZ LYS 21 -11.062 -8.711 -8.138 182 3HZ LYS 21 3HZ LYS 21 -11.302 -10.073 -9.035 183 H SER 22 H SER 22 -9.120 -4.695 -14.186 184 HA SER 22 HA SER 22 -10.214 -5.706 -16.535 185 1HB SER 22 2HB SER 22 -10.748 -3.391 -17.118 186 2HB SER 22 3HB SER 22 -11.082 -3.726 -15.413 187 HG SER 22 HG SER 22 -9.153 -2.698 -14.861 188 H THR 23 H THR 23 -7.203 -3.796 -16.341 189 HA THR 23 HA THR 23 -5.362 -3.789 -17.634 190 HB THR 23 HB THR 23 -6.475 -6.266 -19.010 191 HG1 THR 23 HG1 THR 23 -6.331 -6.529 -16.750 192 1HG2 THR 23 1HG2 THR 23 -3.638 -5.208 -18.679 193 2HG2 THR 23 2HG2 THR 23 -4.091 -6.787 -19.346 194 3HG2 THR 23 3HG2 THR 23 -4.540 -5.308 -20.209 195 H ARG 24 H ARG 24 -8.107 -4.472 -19.810 196 HA ARG 24 HA ARG 24 -6.782 -3.352 -22.095 197 1HB ARG 24 2HB ARG 24 -9.717 -4.078 -21.723 198 2HB ARG 24 3HB ARG 24 -8.835 -3.984 -23.249 199 1HG ARG 24 2HG ARG 24 -8.362 -6.033 -21.009 200 2HG ARG 24 3HG ARG 24 -9.264 -6.300 -22.476 201 1HD ARG 24 2HD ARG 24 -7.216 -5.895 -23.828 202 2HD ARG 24 3HD ARG 24 -6.296 -5.597 -22.331 203 HE ARG 24 HE ARG 24 -7.581 -8.107 -22.108 204 1HH1 ARG 24 2HH1 ARG 24 -4.982 -6.576 -23.939 205 2HH1 ARG 24 1HH1 ARG 24 -4.063 -8.043 -24.145 206 1HH2 ARG 24 2HH2 ARG 24 -6.396 -10.032 -22.355 207 2HH2 ARG 24 1HH2 ARG 24 -4.892 -10.051 -23.234 208 H LYS 25 H LYS 25 -6.432 -1.232 -20.790 209 HA LYS 25 HA LYS 25 -6.545 1.000 -21.040 210 1HB LYS 25 2HB LYS 25 -7.263 0.378 -23.409 211 2HB LYS 25 3HB LYS 25 -8.925 0.710 -22.885 212 1HG LYS 25 2HG LYS 25 -8.170 3.051 -22.235 213 2HG LYS 25 3HG LYS 25 -6.571 2.646 -22.856 214 1HD LYS 25 2HD LYS 25 -7.787 3.921 -24.522 215 2HD LYS 25 3HD LYS 25 -7.496 2.284 -25.117 216 1HE LYS 25 2HE LYS 25 -9.775 3.130 -25.651 217 2HE LYS 25 3HE LYS 25 -9.831 1.656 -24.687 218 1HZ LYS 25 1HZ LYS 25 -11.366 3.309 -23.912 219 2HZ LYS 25 2HZ LYS 25 -10.237 3.003 -22.754 220 3HZ LYS 25 3HZ LYS 25 -10.149 4.387 -23.645 221 H ARG 26 H ARG 26 -9.633 -0.538 -20.434 222 HA ARG 26 HA ARG 26 -11.333 1.333 -19.516 223 1HB ARG 26 2HB ARG 26 -11.798 -1.069 -19.733 224 2HB ARG 26 3HB ARG 26 -10.675 -1.428 -18.417 225 1HG ARG 26 2HG ARG 26 -12.941 -1.663 -17.637 226 2HG ARG 26 3HG ARG 26 -12.149 -0.341 -16.807 227 1HD ARG 26 2HD ARG 26 -13.423 0.899 -19.031 228 2HD ARG 26 3HD ARG 26 -14.544 -0.375 -18.538 229 HE ARG 26 HE ARG 26 -13.637 1.017 -16.223 230 1HH1 ARG 26 2HH2 ARG 26 -15.676 1.574 -19.060 231 2HH1 ARG 26 1HH2 ARG 26 -16.601 2.848 -18.312 232 1HH2 ARG 26 1HH1 ARG 26 -14.822 2.620 -15.242 233 2HH2 ARG 26 2HH1 ARG 26 -16.119 3.452 -16.066 234 H LEU 27 H LEU 27 -8.464 0.232 -17.865 235 HA LEU 27 HA LEU 27 -8.419 1.125 -15.326 236 1HB LEU 27 2HB LEU 27 -6.463 1.657 -17.618 237 2HB LEU 27 3HB LEU 27 -6.142 2.218 -15.980 238 HG LEU 27 HG LEU 27 -6.286 -0.091 -15.128 239 1HD1 LEU 27 1HD1 LEU 27 -6.449 -0.822 -18.078 240 2HD1 LEU 27 2HD1 LEU 27 -6.010 -1.925 -16.749 241 3HD1 LEU 27 3HD1 LEU 27 -7.624 -1.230 -16.800 242 1HD2 LEU 27 1HD2 LEU 27 -4.084 -0.768 -16.012 243 2HD2 LEU 27 2HD2 LEU 27 -4.278 0.340 -17.386 244 3HD2 LEU 27 3HD2 LEU 27 -4.118 0.982 -15.733 245 H ARG 28 H ARG 28 -8.085 3.308 -18.182 246 HA ARG 28 HA ARG 28 -7.704 5.624 -16.559 247 1HB ARG 28 2HB ARG 28 -6.894 5.425 -18.865 248 2HB ARG 28 3HB ARG 28 -8.545 5.350 -19.481 249 1HG ARG 28 2HG ARG 28 -7.438 7.575 -19.760 250 2HG ARG 28 3HG ARG 28 -8.978 7.644 -18.899 251 1HD ARG 28 2HD ARG 28 -7.191 9.096 -17.912 252 2HD ARG 28 3HD ARG 28 -7.885 7.931 -16.779 253 HE ARG 28 HE ARG 28 -5.505 6.930 -18.110 254 1HH1 ARG 28 1HH2 ARG 28 -6.600 9.005 -15.468 255 2HH1 ARG 28 2HH2 ARG 28 -5.203 8.715 -14.469 256 1HH2 ARG 28 1HH1 ARG 28 -3.674 6.537 -16.810 257 2HH2 ARG 28 2HH1 ARG 28 -3.497 7.309 -15.259 258 H ASP 29 H ASP 29 -10.531 4.387 -18.322 259 HA ASP 29 HA ASP 29 -12.413 6.413 -17.727 260 1HB ASP 29 2HB ASP 29 -12.883 3.413 -18.063 261 2HB ASP 29 3HB ASP 29 -14.083 4.689 -18.259 262 H THR 30 H THR 30 -11.628 3.361 -16.068 263 HA THR 30 HA THR 30 -13.488 3.638 -13.932 264 HB THR 30 HB THR 30 -10.855 2.116 -13.813 265 HG1 THR 30 HG1 THR 30 -11.866 1.565 -15.722 266 1HG2 THR 30 1HG2 THR 30 -12.368 2.212 -11.744 267 2HG2 THR 30 2HG2 THR 30 -13.622 1.428 -12.721 268 3HG2 THR 30 3HG2 THR 30 -12.087 0.590 -12.418 269 H LEU 31 H LEU 31 -10.018 4.540 -14.191 270 HA LEU 31 HA LEU 31 -9.664 5.411 -11.542 271 1HB LEU 31 2HB LEU 31 -7.869 4.958 -13.154 272 2HB LEU 31 3HB LEU 31 -8.311 6.370 -14.105 273 HG LEU 31 HG LEU 31 -6.310 6.626 -12.709 274 1HD1 LEU 31 1HD1 LEU 31 -7.742 8.620 -13.339 275 2HD1 LEU 31 2HD1 LEU 31 -8.376 8.594 -11.678 276 3HD1 LEU 31 3HD1 LEU 31 -6.652 8.830 -11.958 277 1HD2 LEU 31 1HD2 LEU 31 -8.133 6.569 -10.270 278 2HD2 LEU 31 2HD2 LEU 31 -7.052 5.246 -10.769 279 3HD2 LEU 31 3HD2 LEU 31 -6.381 6.820 -10.303 280 H THR 32 H THR 32 -10.365 7.382 -14.477 281 HA THR 32 HA THR 32 -10.721 9.831 -13.090 282 HB THR 32 HB THR 32 -12.079 10.478 -15.148 283 HG1 THR 32 HG1 THR 32 -11.265 7.902 -16.052 284 1HG2 THR 32 1HG2 THR 32 -9.321 9.233 -15.527 285 2HG2 THR 32 2HG2 THR 32 -10.107 10.354 -16.660 286 3HG2 THR 32 3HG2 THR 32 -9.673 10.898 -15.027 287 H SER 33 H SER 33 -13.203 7.449 -14.128 288 HA SER 33 HA SER 33 -15.435 8.748 -13.060 289 1HB SER 33 2HB SER 33 -15.500 6.741 -14.527 290 2HB SER 33 3HB SER 33 -14.970 5.737 -13.166 291 HG SER 33 HG SER 33 -17.353 7.280 -13.361 292 H GLU 34 H GLU 34 -13.516 6.145 -11.383 293 HA GLU 34 HA GLU 34 -15.030 6.390 -9.019 294 1HB GLU 34 2HB GLU 34 -13.394 4.477 -9.782 295 2HB GLU 34 3HB GLU 34 -12.161 5.452 -8.968 296 1HG GLU 34 2HG GLU 34 -12.890 4.159 -7.149 297 2HG GLU 34 3HG GLU 34 -14.030 5.479 -7.009 298 H LYS 35 H LYS 35 -11.957 7.970 -10.001 299 HA LYS 35 HA LYS 35 -11.373 9.242 -7.548 300 1HB LYS 35 2HB LYS 35 -9.898 9.046 -9.491 301 2HB LYS 35 3HB LYS 35 -10.853 10.208 -10.399 302 1HG LYS 35 2HG LYS 35 -9.413 10.758 -7.754 303 2HG LYS 35 3HG LYS 35 -8.685 10.996 -9.338 304 1HD LYS 35 2HD LYS 35 -11.055 12.543 -8.224 305 2HD LYS 35 3HD LYS 35 -9.404 13.106 -8.445 306 1HE LYS 35 2HE LYS 35 -9.665 12.694 -10.940 307 2HE LYS 35 3HE LYS 35 -11.387 12.381 -10.647 308 1HZ LYS 35 1HZ LYS 35 -11.052 14.625 -11.252 309 2HZ LYS 35 2HZ LYS 35 -11.525 14.577 -9.670 310 3HZ LYS 35 3HZ LYS 35 -9.951 14.862 -10.049 311 H SER 36 H SER 36 -13.341 10.433 -10.344 312 HA SER 36 HA SER 36 -14.079 12.869 -9.082 313 1HB SER 36 2HB SER 36 -15.813 13.065 -10.758 314 2HB SER 36 3HB SER 36 -14.300 12.499 -11.487 315 HG SER 36 HG SER 36 -15.256 10.321 -11.260 316 H LYS 37 H LYS 37 -15.825 9.717 -9.145 317 HA LYS 37 HA LYS 37 -18.009 10.404 -7.529 318 1HB LYS 37 2HB LYS 37 -16.441 7.804 -7.677 319 2HB LYS 37 3HB LYS 37 -17.987 7.963 -6.855 320 1HG LYS 37 2HG LYS 37 -17.686 8.703 -9.796 321 2HG LYS 37 3HG LYS 37 -17.934 7.038 -9.257 322 1HD LYS 37 2HD LYS 37 -20.046 7.659 -8.157 323 2HD LYS 37 3HD LYS 37 -19.790 9.363 -8.562 324 1HE LYS 37 2HE LYS 37 -21.380 8.346 -10.120 325 2HE LYS 37 3HE LYS 37 -19.912 8.854 -10.970 326 1HZ LYS 37 1HZ LYS 37 -20.502 6.111 -10.092 327 2HZ LYS 37 2HZ LYS 37 -20.664 6.679 -11.631 328 3HZ LYS 37 3HZ LYS 37 -19.172 6.592 -10.939 329 H ILE 38 H ILE 38 -14.848 9.078 -6.414 330 HA ILE 38 HA ILE 38 -15.334 9.164 -3.662 331 HB ILE 38 HB ILE 38 -12.800 9.390 -5.311 332 1HG1 ILE 38 2HG1 ILE 38 -13.833 7.210 -3.433 333 2HG1 ILE 38 3HG1 ILE 38 -14.193 7.266 -5.158 334 1HG2 ILE 38 1HG2 ILE 38 -11.492 9.033 -3.220 335 2HG2 ILE 38 2HG2 ILE 38 -12.276 10.602 -3.243 336 3HG2 ILE 38 3HG2 ILE 38 -12.967 9.288 -2.271 337 1HD1 ILE 38 1HD1 ILE 38 -11.746 7.171 -5.665 338 2HD1 ILE 38 2HD1 ILE 38 -11.433 6.924 -3.929 339 3HD1 ILE 38 3HD1 ILE 38 -12.381 5.739 -4.834 340 H GLU 39 H GLU 39 -13.846 11.749 -5.705 341 HA GLU 39 HA GLU 39 -13.625 13.674 -3.624 342 1HB GLU 39 2HB GLU 39 -14.074 13.990 -6.615 343 2HB GLU 39 3HB GLU 39 -13.808 15.356 -5.520 344 1HG GLU 39 2HG GLU 39 -11.647 14.425 -4.800 345 2HG GLU 39 3HG GLU 39 -11.860 13.039 -5.879 346 H THR 40 H THR 40 -16.332 13.104 -5.906 347 HA THR 40 HA THR 40 -18.016 15.184 -5.030 348 HB THR 40 HB THR 40 -18.745 12.449 -6.172 349 HG1 THR 40 HG1 THR 40 -17.360 13.599 -7.502 350 1HG2 THR 40 1HG2 THR 40 -20.731 13.571 -7.049 351 2HG2 THR 40 2HG2 THR 40 -20.755 13.547 -5.276 352 3HG2 THR 40 3HG2 THR 40 -20.326 15.047 -6.144 353 H GLU 41 H GLU 41 -17.863 11.780 -3.903 354 HA GLU 41 HA GLU 41 -19.906 11.972 -1.924 355 1HB GLU 41 2HB GLU 41 -17.473 10.165 -2.205 356 2HB GLU 41 3HB GLU 41 -18.711 9.962 -0.952 357 1HG GLU 41 2HG GLU 41 -20.448 9.614 -2.620 358 2HG GLU 41 3HG GLU 41 -19.331 9.968 -3.943 359 H LEU 42 H LEU 42 -16.322 12.248 -1.627 360 HA LEU 42 HA LEU 42 -16.177 12.831 1.105 361 1HB LEU 42 2HB LEU 42 -14.268 12.282 -0.280 362 2HB LEU 42 3HB LEU 42 -14.452 13.715 -1.239 363 HG LEU 42 HG LEU 42 -13.969 15.095 0.864 364 1HD1 LEU 42 1HD1 LEU 42 -14.513 13.425 2.594 365 2HD1 LEU 42 2HD1 LEU 42 -13.294 12.313 1.931 366 3HD1 LEU 42 3HD1 LEU 42 -12.789 13.815 2.700 367 1HD2 LEU 42 1HD2 LEU 42 -12.266 14.640 -0.856 368 2HD2 LEU 42 2HD2 LEU 42 -11.548 14.649 0.764 369 3HD2 LEU 42 3HD2 LEU 42 -11.855 13.105 -0.061 370 H LYS 43 H LYS 43 -16.490 15.193 -1.608 371 HA LYS 43 HA LYS 43 -16.719 17.520 0.025 372 1HB LYS 43 2HB LYS 43 -17.859 16.891 -2.722 373 2HB LYS 43 3HB LYS 43 -17.904 18.489 -1.975 374 1HG LYS 43 2HG LYS 43 -15.351 16.956 -2.662 375 2HG LYS 43 3HG LYS 43 -16.099 18.230 -3.615 376 1HD LYS 43 2HD LYS 43 -14.703 19.611 -2.534 377 2HD LYS 43 3HD LYS 43 -15.867 19.533 -1.208 378 1HE LYS 43 2HE LYS 43 -14.503 17.646 -0.205 379 2HE LYS 43 3HE LYS 43 -13.378 17.777 -1.565 380 1HZ LYS 43 1HZ LYS 43 -12.609 18.949 0.344 381 2HZ LYS 43 2HZ LYS 43 -12.899 20.008 -0.887 382 3HZ LYS 43 3HZ LYS 43 -13.955 19.896 0.376 383 H ASN 44 H ASN 44 -19.304 15.323 -1.231 384 HA ASN 44 HA ASN 44 -21.479 16.790 -0.106 385 1HB ASN 44 2HB ASN 44 -21.120 13.881 -0.868 386 2HB ASN 44 3HB ASN 44 -22.508 14.370 0.098 387 1HD2 ASN 44 1HD2 ASN 44 -20.841 15.108 -2.994 388 2HD2 ASN 44 2HD2 ASN 44 -22.311 15.654 -3.802 389 H LYS 45 H LYS 45 -19.537 14.125 1.340 390 HA LYS 45 HA LYS 45 -20.869 14.113 3.847 391 1HB LYS 45 2HB LYS 45 -18.005 13.404 3.117 392 2HB LYS 45 3HB LYS 45 -18.741 13.074 4.687 393 1HG LYS 45 2HG LYS 45 -19.810 11.987 2.040 394 2HG LYS 45 3HG LYS 45 -18.704 11.129 3.111 395 1HD LYS 45 2HD LYS 45 -20.448 11.378 4.961 396 2HD LYS 45 3HD LYS 45 -21.574 11.958 3.723 397 1HE LYS 45 2HE LYS 45 -20.163 9.243 3.731 398 2HE LYS 45 3HE LYS 45 -21.855 9.542 4.151 399 1HZ LYS 45 1HZ LYS 45 -22.216 10.311 1.923 400 2HZ LYS 45 2HZ LYS 45 -20.639 10.038 1.525 401 3HZ LYS 45 3HZ LYS 45 -21.619 8.775 1.918 402 H MET 46 H MET 46 -18.017 16.047 2.767 403 HA MET 46 HA MET 46 -17.612 17.350 5.270 404 1HB MET 46 2HB MET 46 -17.045 18.243 2.414 405 2HB MET 46 3HB MET 46 -16.631 19.211 3.834 406 1HG MET 46 2HG MET 46 -15.268 17.378 4.733 407 2HG MET 46 3HG MET 46 -15.619 16.398 3.302 408 1HE MET 46 1HE MET 46 -12.686 17.049 4.426 409 2HE MET 46 2HE MET 46 -13.042 16.029 3.012 410 3HE MET 46 3HE MET 46 -11.838 17.334 2.885 411 H GLN 47 H GLN 47 -19.567 18.440 2.450 412 HA GLN 47 HA GLN 47 -21.019 20.320 4.289 413 1HB GLN 47 2HB GLN 47 -21.201 21.881 2.334 414 2HB GLN 47 3HB GLN 47 -19.678 21.749 3.201 415 1HG GLN 47 2HG GLN 47 -18.990 21.960 1.052 416 2HG GLN 47 3HG GLN 47 -18.819 20.236 1.304 417 1HE2 GLN 47 1HE2 GLN 47 -20.160 18.854 0.011 418 2HE2 GLN 47 2HE2 GLN 47 -21.156 19.477 -1.304 419 H GLN 48 H GLN 48 -22.517 18.753 4.673 420 HA GLN 48 HA GLN 48 -23.860 17.288 2.633 421 1HB GLN 48 2HB GLN 48 -24.580 17.716 5.561 422 2HB GLN 48 3HB GLN 48 -25.208 16.438 4.512 423 1HG GLN 48 2HG GLN 48 -22.936 15.515 4.232 424 2HG GLN 48 3HG GLN 48 -22.295 16.765 5.312 425 1HE2 GLN 48 1HE2 GLN 48 -24.749 14.081 5.200 426 2HE2 GLN 48 2HE2 GLN 48 -24.543 13.698 6.901 427 H LYS 49 H LYS 49 -24.234 19.953 1.873 428 HA LYS 49 HA LYS 49 -26.611 21.281 2.536 429 1HB LYS 49 2HB LYS 49 -25.287 20.850 -0.178 430 2HB LYS 49 3HB LYS 49 -26.558 22.040 0.153 431 1HG LYS 49 2HG LYS 49 -25.127 23.312 1.611 432 2HG LYS 49 3HG LYS 49 -23.902 22.037 1.654 433 1HD LYS 49 2HD LYS 49 -23.195 23.843 0.175 434 2HD LYS 49 3HD LYS 49 -23.394 22.322 -0.702 435 1HE LYS 49 2HE LYS 49 -25.531 23.049 -1.634 436 2HE LYS 49 3HE LYS 49 -25.496 24.532 -0.654 437 1HZ LYS 49 1HZ LYS 49 -23.539 25.186 -1.853 438 2HZ LYS 49 2HZ LYS 49 -23.565 23.799 -2.742 439 3HZ LYS 49 3HZ LYS 49 -24.782 24.899 -2.897 440 H SER 50 H SER 50 -26.038 18.584 0.290 441 HA SER 50 HA SER 50 -28.437 18.164 -0.890 442 1HB SER 50 2HB SER 50 -26.652 15.914 0.046 443 2HB SER 50 3HB SER 50 -27.433 16.140 -1.534 444 HG SER 50 HG SER 50 -25.107 16.611 -1.458 445 H GLN 51 H GLN 51 -28.000 17.836 2.506 446 HA GLN 51 HA GLN 51 -30.661 16.594 2.677 447 1HB GLN 51 2HB GLN 51 -29.985 14.860 4.231 448 2HB GLN 51 3HB GLN 51 -29.202 14.679 2.648 449 1HG GLN 51 2HG GLN 51 -27.150 15.798 3.608 450 2HG GLN 51 3HG GLN 51 -27.892 15.679 5.217 451 1HE2 GLN 51 1HE2 GLN 51 -29.065 13.095 5.066 452 2HE2 GLN 51 2HE2 GLN 51 -27.754 11.942 4.926 453 H LYS 52 H LYS 52 -27.847 17.883 4.527 454 HA LYS 52 HA LYS 52 -29.646 19.035 6.536 455 1HB LYS 52 2HB LYS 52 -27.537 18.293 7.361 456 2HB LYS 52 3HB LYS 52 -26.647 19.182 6.117 457 1HG LYS 52 2HG LYS 52 -26.582 20.241 8.376 458 2HG LYS 52 3HG LYS 52 -27.154 21.296 7.097 459 1HD LYS 52 2HD LYS 52 -29.555 20.815 7.868 460 2HD LYS 52 3HD LYS 52 -28.857 19.873 9.195 461 1HE LYS 52 2HE LYS 52 -29.433 22.099 9.965 462 2HE LYS 52 3HE LYS 52 -27.666 21.978 9.942 463 1HZ LYS 52 1HZ LYS 52 -27.674 23.172 7.881 464 2HZ LYS 52 2HZ LYS 52 -29.318 23.200 7.822 465 3HZ LYS 52 3HZ LYS 52 -28.518 24.034 8.996 466 H LYS 53 H LYS 53 -30.944 20.035 4.903 467 HA LYS 53 HA LYS 53 -30.417 22.116 3.190 468 1HB LYS 53 2HB LYS 53 -32.544 23.165 4.155 469 2HB LYS 53 3HB LYS 53 -32.633 21.585 3.390 470 1HG LYS 53 2HG LYS 53 -33.015 20.419 5.317 471 2HG LYS 53 3HG LYS 53 -32.232 21.585 6.384 472 1HD LYS 53 2HD LYS 53 -34.729 22.453 4.925 473 2HD LYS 53 3HD LYS 53 -34.886 21.325 6.274 474 1HE LYS 53 2HE LYS 53 -35.117 23.700 6.994 475 2HE LYS 53 3HE LYS 53 -33.820 22.830 7.826 476 1HZ LYS 53 1HZ LYS 53 -33.440 24.651 5.562 477 2HZ LYS 53 2HZ LYS 53 -33.145 25.009 7.146 478 3HZ LYS 53 3HZ LYS 53 -32.246 23.860 6.384 479 HA PRO 54 HA PRO 54 -27.685 24.487 5.836 480 1HB PRO 54 2HB PRO 54 -28.336 26.598 3.752 481 2HB PRO 54 3HB PRO 54 -26.766 26.280 4.552 482 1HG PRO 54 2HG PRO 54 -27.226 25.214 2.113 483 2HG PRO 54 3HG PRO 54 -26.551 24.172 3.405 484 1HD PRO 54 2HD PRO 54 -29.408 24.314 2.434 485 2HD PRO 54 3HD PRO 54 -28.406 22.897 2.849 486 H GLU 55 H GLU 55 -30.593 26.149 4.690 487 HA GLU 55 HA GLU 55 -30.629 28.343 6.332 488 1HB GLU 55 2HB GLU 55 -33.225 26.880 5.699 489 2HB GLU 55 3HB GLU 55 -32.940 28.595 5.947 490 1HG GLU 55 2HG GLU 55 -33.131 28.509 3.654 491 2HG GLU 55 3HG GLU 55 -31.377 28.371 3.810 Start of MODEL 12 1 1H MET 1 H MET 1 -16.998 9.027 10.466 2 HA MET 1 HA MET 1 -15.438 10.792 9.544 3 1HB MET 1 2HB MET 1 -15.023 11.782 11.799 4 2HB MET 1 3HB MET 1 -14.114 10.334 12.256 5 1HG MET 1 2HG MET 1 -12.521 10.807 10.349 6 2HG MET 1 3HG MET 1 -13.473 12.245 9.967 7 1HE MET 1 1HE MET 1 -10.987 10.529 12.420 8 2HE MET 1 2HE MET 1 -10.774 11.766 13.682 9 3HE MET 1 3HE MET 1 -12.311 10.887 13.561 10 H ALA 2 H ALA 2 -14.466 8.144 11.759 11 HA ALA 2 HA ALA 2 -12.583 6.850 10.064 12 1HB ALA 2 1HB ALA 2 -14.487 5.636 12.114 13 2HB ALA 2 2HB ALA 2 -13.052 4.847 11.421 14 3HB ALA 2 3HB ALA 2 -12.864 6.287 12.442 15 H SER 3 H SER 3 -16.115 6.725 10.248 16 HA SER 3 HA SER 3 -16.808 4.729 8.393 17 1HB SER 3 2HB SER 3 -18.787 6.393 8.096 18 2HB SER 3 3HB SER 3 -18.483 5.767 9.727 19 HG SER 3 HG SER 3 -18.742 8.073 9.669 20 H VAL 4 H VAL 4 -16.541 8.230 7.867 21 HA VAL 4 HA VAL 4 -16.707 8.269 5.072 22 HB VAL 4 HB VAL 4 -15.123 10.186 6.847 23 1HG1 VAL 4 1HG1 VAL 4 -15.569 11.817 5.013 24 2HG1 VAL 4 2HG1 VAL 4 -14.495 10.505 4.520 25 3HG1 VAL 4 3HG1 VAL 4 -16.196 10.490 4.014 26 1HG2 VAL 4 1HG2 VAL 4 -18.021 10.230 5.915 27 2HG2 VAL 4 2HG2 VAL 4 -17.464 10.038 7.589 28 3HG2 VAL 4 3HG2 VAL 4 -17.193 11.563 6.745 29 H LEU 5 H LEU 5 -13.701 8.218 7.056 30 HA LEU 5 HA LEU 5 -11.865 8.061 4.928 31 1HB LEU 5 2HB LEU 5 -11.717 6.793 7.690 32 2HB LEU 5 3HB LEU 5 -10.355 6.918 6.577 33 HG LEU 5 HG LEU 5 -11.859 9.312 7.736 34 1HD1 LEU 5 1HD1 LEU 5 -9.138 8.141 8.444 35 2HD1 LEU 5 2HD1 LEU 5 -9.852 9.623 9.116 36 3HD1 LEU 5 3HD1 LEU 5 -10.598 8.053 9.451 37 1HD2 LEU 5 1HD2 LEU 5 -9.325 9.128 6.052 38 2HD2 LEU 5 2HD2 LEU 5 -10.854 9.917 5.593 39 3HD2 LEU 5 3HD2 LEU 5 -9.879 10.585 6.901 40 H GLU 6 H GLU 6 -13.478 5.308 6.638 41 HA GLU 6 HA GLU 6 -12.195 3.360 5.026 42 1HB GLU 6 2HB GLU 6 -13.659 3.147 7.255 43 2HB GLU 6 3HB GLU 6 -14.937 2.757 6.095 44 1HG GLU 6 2HG GLU 6 -12.226 1.386 6.460 45 2HG GLU 6 3HG GLU 6 -13.808 0.723 6.870 46 H GLU 7 H GLU 7 -15.342 5.074 4.588 47 HA GLU 7 HA GLU 7 -16.171 3.626 2.281 48 1HB GLU 7 2HB GLU 7 -16.661 6.514 3.111 49 2HB GLU 7 3HB GLU 7 -17.461 5.746 1.737 50 1HG GLU 7 2HG GLU 7 -17.606 4.551 4.545 51 2HG GLU 7 3HG GLU 7 -18.742 5.768 3.965 52 H LEU 8 H LEU 8 -14.217 6.647 2.488 53 HA LEU 8 HA LEU 8 -13.813 6.820 -0.351 54 1HB LEU 8 2HB LEU 8 -12.042 7.867 1.886 55 2HB LEU 8 3HB LEU 8 -11.996 8.397 0.193 56 HG LEU 8 HG LEU 8 -14.434 8.745 1.986 57 1HD1 LEU 8 1HD1 LEU 8 -13.762 11.094 2.108 58 2HD1 LEU 8 2HD1 LEU 8 -12.513 10.052 2.814 59 3HD1 LEU 8 3HD1 LEU 8 -12.280 10.740 1.191 60 1HD2 LEU 8 1HD2 LEU 8 -14.984 8.688 -0.421 61 2HD2 LEU 8 2HD2 LEU 8 -15.176 10.297 0.274 62 3HD2 LEU 8 3HD2 LEU 8 -13.757 9.937 -0.728 63 H GLN 9 H GLN 9 -11.861 5.267 2.229 64 HA GLN 9 HA GLN 9 -9.754 4.296 0.647 65 1HB GLN 9 2HB GLN 9 -9.960 4.191 3.142 66 2HB GLN 9 3HB GLN 9 -11.089 2.848 2.978 67 1HG GLN 9 2HG GLN 9 -8.191 2.897 2.037 68 2HG GLN 9 3HG GLN 9 -8.777 2.151 3.526 69 1HE2 GLN 9 1HE2 GLN 9 -11.000 0.633 2.812 70 2HE2 GLN 9 2HE2 GLN 9 -10.484 -0.521 1.574 71 H LYS 10 H LYS 10 -12.936 2.754 1.347 72 HA LYS 10 HA LYS 10 -12.493 0.426 -0.152 73 1HB LYS 10 2HB LYS 10 -14.286 0.795 1.565 74 2HB LYS 10 3HB LYS 10 -15.131 1.837 0.430 75 1HG LYS 10 2HG LYS 10 -16.122 -0.386 0.480 76 2HG LYS 10 3HG LYS 10 -15.488 -0.017 -1.119 77 1HD LYS 10 2HD LYS 10 -15.050 -2.357 -0.391 78 2HD LYS 10 3HD LYS 10 -13.592 -1.481 -0.823 79 1HE LYS 10 2HE LYS 10 -13.292 -2.863 1.210 80 2HE LYS 10 3HE LYS 10 -13.020 -1.156 1.560 81 1HZ LYS 10 1HZ LYS 10 -14.355 -2.227 3.217 82 2HZ LYS 10 2HZ LYS 10 -15.205 -1.031 2.476 83 3HZ LYS 10 3HZ LYS 10 -15.513 -2.612 2.107 84 H ASP 11 H ASP 11 -14.033 3.531 -1.068 85 HA ASP 11 HA ASP 11 -14.687 2.890 -3.720 86 1HB ASP 11 2HB ASP 11 -15.308 4.948 -2.363 87 2HB ASP 11 3HB ASP 11 -13.701 5.597 -2.708 88 H LEU 12 H LEU 12 -11.606 4.103 -2.373 89 HA LEU 12 HA LEU 12 -10.126 4.249 -4.792 90 1HB LEU 12 2HB LEU 12 -9.739 5.238 -2.452 91 2HB LEU 12 3HB LEU 12 -8.952 3.713 -2.049 92 HG LEU 12 HG LEU 12 -8.154 5.520 -4.382 93 1HD1 LEU 12 1HD1 LEU 12 -6.345 6.317 -2.899 94 2HD1 LEU 12 2HD1 LEU 12 -7.937 6.719 -2.237 95 3HD1 LEU 12 3HD1 LEU 12 -7.014 5.361 -1.559 96 1HD2 LEU 12 1HD2 LEU 12 -5.964 4.285 -4.102 97 2HD2 LEU 12 2HD2 LEU 12 -6.787 3.177 -2.976 98 3HD2 LEU 12 3HD2 LEU 12 -7.284 3.274 -4.684 99 H GLU 13 H GLU 13 -10.613 1.692 -2.362 100 HA GLU 13 HA GLU 13 -8.864 -0.268 -3.345 101 1HB GLU 13 2HB GLU 13 -10.154 -0.130 -1.135 102 2HB GLU 13 3HB GLU 13 -11.519 -0.856 -2.007 103 1HG GLU 13 2HG GLU 13 -10.080 -2.804 -2.578 104 2HG GLU 13 3HG GLU 13 -8.762 -2.079 -1.635 105 H GLU 14 H GLU 14 -12.313 0.405 -4.180 106 HA GLU 14 HA GLU 14 -12.624 -1.736 -6.014 107 1HB GLU 14 2HB GLU 14 -13.869 1.044 -6.149 108 2HB GLU 14 3HB GLU 14 -14.360 -0.348 -7.113 109 1HG GLU 14 2HG GLU 14 -14.582 -0.058 -4.093 110 2HG GLU 14 3HG GLU 14 -15.891 -0.077 -5.269 111 H VAL 15 H VAL 15 -11.496 1.649 -6.766 112 HA VAL 15 HA VAL 15 -10.938 0.935 -9.469 113 HB VAL 15 HB VAL 15 -11.108 3.203 -9.083 114 1HG1 VAL 15 1HG1 VAL 15 -10.330 3.400 -6.773 115 2HG1 VAL 15 2HG1 VAL 15 -8.646 3.120 -7.289 116 3HG1 VAL 15 3HG1 VAL 15 -9.518 4.574 -7.812 117 1HG2 VAL 15 1HG2 VAL 15 -9.187 4.079 -10.220 118 2HG2 VAL 15 2HG2 VAL 15 -8.158 2.746 -9.677 119 3HG2 VAL 15 3HG2 VAL 15 -9.456 2.441 -10.841 120 H LYS 16 H LYS 16 -8.817 0.675 -6.555 121 HA LYS 16 HA LYS 16 -6.509 -0.235 -7.973 122 1HB LYS 16 2HB LYS 16 -7.591 -0.918 -5.225 123 2HB LYS 16 3HB LYS 16 -6.128 -1.674 -5.862 124 1HG LYS 16 2HG LYS 16 -5.017 0.430 -6.128 125 2HG LYS 16 3HG LYS 16 -6.485 1.338 -5.710 126 1HD LYS 16 2HD LYS 16 -6.446 0.559 -3.440 127 2HD LYS 16 3HD LYS 16 -5.243 -0.695 -3.798 128 1HE LYS 16 2HE LYS 16 -3.508 0.953 -4.189 129 2HE LYS 16 3HE LYS 16 -4.664 2.284 -4.048 130 1HZ LYS 16 1HZ LYS 16 -3.939 0.418 -1.900 131 2HZ LYS 16 2HZ LYS 16 -3.427 1.978 -2.043 132 3HZ LYS 16 3HZ LYS 16 -5.020 1.656 -1.769 133 H VAL 17 H VAL 17 -9.131 -2.266 -6.600 134 HA VAL 17 HA VAL 17 -8.271 -4.750 -7.586 135 HB VAL 17 HB VAL 17 -11.022 -3.614 -6.960 136 1HG1 VAL 17 1HG1 VAL 17 -11.463 -5.429 -8.533 137 2HG1 VAL 17 2HG1 VAL 17 -10.338 -6.490 -7.653 138 3HG1 VAL 17 3HG1 VAL 17 -11.850 -5.958 -6.893 139 1HG2 VAL 17 1HG2 VAL 17 -9.268 -5.652 -5.514 140 2HG2 VAL 17 2HG2 VAL 17 -9.363 -3.938 -5.083 141 3HG2 VAL 17 3HG2 VAL 17 -10.797 -4.964 -4.932 142 H LEU 18 H LEU 18 -10.539 -2.439 -9.159 143 HA LEU 18 HA LEU 18 -10.903 -4.039 -11.494 144 1HB LEU 18 2HB LEU 18 -11.222 -1.072 -10.996 145 2HB LEU 18 3HB LEU 18 -11.753 -1.857 -12.493 146 HG LEU 18 HG LEU 18 -12.749 -2.717 -9.732 147 1HD1 LEU 18 1HD1 LEU 18 -14.755 -1.394 -10.203 148 2HD1 LEU 18 2HD1 LEU 18 -13.321 -0.354 -10.129 149 3HD1 LEU 18 3HD1 LEU 18 -14.019 -0.794 -11.705 150 1HD2 LEU 18 1HD2 LEU 18 -13.812 -3.196 -12.555 151 2HD2 LEU 18 2HD2 LEU 18 -13.089 -4.420 -11.488 152 3HD2 LEU 18 3HD2 LEU 18 -14.625 -3.668 -11.050 153 H LEU 19 H LEU 19 -8.591 -1.388 -10.830 154 HA LEU 19 HA LEU 19 -7.358 -1.219 -13.366 155 1HB LEU 19 2HB LEU 19 -7.020 0.419 -11.690 156 2HB LEU 19 3HB LEU 19 -6.328 -0.726 -10.549 157 HG LEU 19 HG LEU 19 -4.898 -0.490 -13.168 158 1HD1 LEU 19 1HD1 LEU 19 -4.837 1.711 -11.062 159 2HD1 LEU 19 2HD1 LEU 19 -3.740 1.572 -12.453 160 3HD1 LEU 19 3HD1 LEU 19 -5.465 1.866 -12.718 161 1HD2 LEU 19 1HD2 LEU 19 -2.922 -0.598 -11.692 162 2HD2 LEU 19 2HD2 LEU 19 -3.970 -0.555 -10.261 163 3HD2 LEU 19 3HD2 LEU 19 -4.012 -1.945 -11.360 164 H GLU 20 H GLU 20 -6.573 -3.277 -10.518 165 HA GLU 20 HA GLU 20 -4.376 -4.646 -11.708 166 1HB GLU 20 2HB GLU 20 -6.318 -5.439 -9.503 167 2HB GLU 20 3HB GLU 20 -4.896 -6.393 -9.945 168 1HG GLU 20 2HG GLU 20 -3.386 -4.619 -9.340 169 2HG GLU 20 3HG GLU 20 -4.699 -3.458 -9.140 170 H LYS 21 H LYS 21 -7.862 -5.505 -11.569 171 HA LYS 21 HA LYS 21 -7.412 -7.984 -13.040 172 1HB LYS 21 2HB LYS 21 -9.917 -6.536 -12.109 173 2HB LYS 21 3HB LYS 21 -9.928 -8.089 -12.969 174 1HG LYS 21 2HG LYS 21 -8.583 -9.139 -11.235 175 2HG LYS 21 3HG LYS 21 -8.405 -7.593 -10.376 176 1HD LYS 21 2HD LYS 21 -10.754 -7.504 -9.848 177 2HD LYS 21 3HD LYS 21 -11.127 -8.846 -10.936 178 1HE LYS 21 2HE LYS 21 -11.115 -9.551 -8.547 179 2HE LYS 21 3HE LYS 21 -9.956 -10.444 -9.544 180 1HZ LYS 21 1HZ LYS 21 -9.286 -8.187 -7.787 181 2HZ LYS 21 2HZ LYS 21 -9.018 -9.779 -7.462 182 3HZ LYS 21 3HZ LYS 21 -8.223 -9.048 -8.704 183 H SER 22 H SER 22 -9.476 -5.158 -13.869 184 HA SER 22 HA SER 22 -9.789 -6.145 -16.616 185 1HB SER 22 2HB SER 22 -10.966 -3.866 -14.983 186 2HB SER 22 3HB SER 22 -11.162 -3.932 -16.730 187 HG SER 22 HG SER 22 -11.873 -6.018 -14.939 188 H THR 23 H THR 23 -7.383 -5.990 -16.826 189 HA THR 23 HA THR 23 -6.096 -3.435 -17.120 190 HB THR 23 HB THR 23 -4.324 -5.222 -18.090 191 HG1 THR 23 HG1 THR 23 -5.930 -6.895 -16.444 192 1HG2 THR 23 1HG2 THR 23 -4.086 -4.016 -15.961 193 2HG2 THR 23 2HG2 THR 23 -3.697 -5.735 -15.748 194 3HG2 THR 23 3HG2 THR 23 -5.262 -5.103 -15.201 195 H ARG 24 H ARG 24 -8.320 -3.369 -18.684 196 HA ARG 24 HA ARG 24 -7.404 -3.398 -21.515 197 1HB ARG 24 2HB ARG 24 -10.127 -2.779 -20.295 198 2HB ARG 24 3HB ARG 24 -9.761 -2.937 -22.021 199 1HG ARG 24 2HG ARG 24 -9.163 -5.327 -21.656 200 2HG ARG 24 3HG ARG 24 -9.582 -5.175 -19.946 201 1HD ARG 24 2HD ARG 24 -11.470 -4.803 -22.305 202 2HD ARG 24 3HD ARG 24 -11.444 -6.185 -21.217 203 HE ARG 24 HE ARG 24 -12.705 -3.620 -20.803 204 1HH1 ARG 24 2HH1 ARG 24 -11.223 -6.320 -19.033 205 2HH1 ARG 24 1HH1 ARG 24 -12.033 -5.919 -17.526 206 1HH2 ARG 24 1HH2 ARG 24 -13.870 -3.241 -18.868 207 2HH2 ARG 24 2HH2 ARG 24 -13.601 -4.261 -17.477 208 H LYS 25 H LYS 25 -8.423 -1.189 -22.552 209 HA LYS 25 HA LYS 25 -7.143 1.082 -21.507 210 1HB LYS 25 2HB LYS 25 -8.506 2.381 -22.991 211 2HB LYS 25 3HB LYS 25 -8.022 0.889 -23.804 212 1HG LYS 25 2HG LYS 25 -10.300 -0.073 -23.320 213 2HG LYS 25 3HG LYS 25 -10.748 1.465 -22.550 214 1HD LYS 25 2HD LYS 25 -10.287 2.660 -24.695 215 2HD LYS 25 3HD LYS 25 -9.880 1.113 -25.454 216 1HE LYS 25 2HE LYS 25 -12.157 1.721 -26.040 217 2HE LYS 25 3HE LYS 25 -12.196 0.288 -25.001 218 1HZ LYS 25 1HZ LYS 25 -12.755 1.719 -23.167 219 2HZ LYS 25 2HZ LYS 25 -12.666 3.058 -24.123 220 3HZ LYS 25 3HZ LYS 25 -13.832 1.927 -24.394 221 H ARG 26 H ARG 26 -10.084 -0.455 -20.530 222 HA ARG 26 HA ARG 26 -11.690 1.144 -19.189 223 1HB ARG 26 2HB ARG 26 -11.804 -1.299 -19.232 224 2HB ARG 26 3HB ARG 26 -10.373 -1.424 -18.201 225 1HG ARG 26 2HG ARG 26 -12.508 -1.864 -17.044 226 2HG ARG 26 3HG ARG 26 -11.579 -0.584 -16.286 227 1HD ARG 26 2HD ARG 26 -13.153 1.080 -16.901 228 2HD ARG 26 3HD ARG 26 -13.613 0.210 -18.367 229 HE ARG 26 HE ARG 26 -15.201 -0.907 -17.330 230 1HH1 ARG 26 1HH2 ARG 26 -13.190 0.510 -14.756 231 2HH1 ARG 26 2HH2 ARG 26 -14.358 0.166 -13.514 232 1HH2 ARG 26 1HH1 ARG 26 -16.652 -1.438 -15.670 233 2HH2 ARG 26 2HH1 ARG 26 -16.314 -0.994 -14.021 234 H LEU 27 H LEU 27 -8.367 0.384 -18.016 235 HA LEU 27 HA LEU 27 -8.484 1.427 -15.439 236 1HB LEU 27 2HB LEU 27 -6.316 1.401 -17.549 237 2HB LEU 27 3HB LEU 27 -6.068 2.254 -16.014 238 HG LEU 27 HG LEU 27 -6.345 0.376 -14.686 239 1HD1 LEU 27 1HD1 LEU 27 -7.013 -1.223 -17.180 240 2HD1 LEU 27 2HD1 LEU 27 -6.712 -1.905 -15.575 241 3HD1 LEU 27 3HD1 LEU 27 -8.117 -0.876 -15.826 242 1HD2 LEU 27 1HD2 LEU 27 -4.123 0.700 -15.712 243 2HD2 LEU 27 2HD2 LEU 27 -4.447 -1.029 -15.477 244 3HD2 LEU 27 3HD2 LEU 27 -4.598 -0.315 -17.093 245 H ARG 28 H ARG 28 -8.204 3.346 -18.471 246 HA ARG 28 HA ARG 28 -7.739 5.855 -17.151 247 1HB ARG 28 2HB ARG 28 -7.281 5.417 -19.540 248 2HB ARG 28 3HB ARG 28 -9.018 5.265 -19.860 249 1HG ARG 28 2HG ARG 28 -9.360 7.624 -19.155 250 2HG ARG 28 3HG ARG 28 -7.630 7.760 -18.770 251 1HD ARG 28 2HD ARG 28 -7.066 7.324 -21.136 252 2HD ARG 28 3HD ARG 28 -8.797 7.147 -21.520 253 HE ARG 28 HE ARG 28 -8.446 9.643 -20.251 254 1HH1 ARG 28 2HH1 ARG 28 -7.524 8.054 -23.264 255 2HH1 ARG 28 1HH1 ARG 28 -7.454 9.527 -24.193 256 1HH2 ARG 28 2HH2 ARG 28 -8.366 11.580 -21.445 257 2HH2 ARG 28 1HH2 ARG 28 -7.944 11.571 -23.135 258 H ASP 29 H ASP 29 -10.701 4.314 -18.419 259 HA ASP 29 HA ASP 29 -12.555 6.348 -17.712 260 1HB ASP 29 2HB ASP 29 -13.083 3.347 -17.862 261 2HB ASP 29 3HB ASP 29 -14.257 4.653 -18.045 262 H THR 30 H THR 30 -11.482 3.401 -16.052 263 HA THR 30 HA THR 30 -13.115 3.532 -13.784 264 HB THR 30 HB THR 30 -10.259 2.476 -13.739 265 HG1 THR 30 HG1 THR 30 -11.267 1.596 -15.517 266 1HG2 THR 30 1HG2 THR 30 -11.164 0.925 -12.115 267 2HG2 THR 30 2HG2 THR 30 -11.615 2.557 -11.586 268 3HG2 THR 30 3HG2 THR 30 -12.817 1.524 -12.364 269 H LEU 31 H LEU 31 -9.740 4.769 -14.301 270 HA LEU 31 HA LEU 31 -9.384 5.846 -11.737 271 1HB LEU 31 2HB LEU 31 -7.607 5.401 -13.358 272 2HB LEU 31 3HB LEU 31 -8.169 6.698 -14.406 273 HG LEU 31 HG LEU 31 -6.136 7.156 -13.047 274 1HD1 LEU 31 1HD1 LEU 31 -8.305 9.159 -12.336 275 2HD1 LEU 31 2HD1 LEU 31 -6.577 9.424 -12.553 276 3HD1 LEU 31 3HD1 LEU 31 -7.577 9.004 -13.952 277 1HD2 LEU 31 1HD2 LEU 31 -7.989 7.341 -10.637 278 2HD2 LEU 31 2HD2 LEU 31 -6.852 6.008 -10.955 279 3HD2 LEU 31 3HD2 LEU 31 -6.247 7.654 -10.688 280 H THR 32 H THR 32 -10.361 7.558 -14.758 281 HA THR 32 HA THR 32 -10.738 10.081 -13.513 282 HB THR 32 HB THR 32 -12.227 10.528 -15.535 283 HG1 THR 32 HG1 THR 32 -11.312 7.956 -16.343 284 1HG2 THR 32 1HG2 THR 32 -9.814 11.027 -15.527 285 2HG2 THR 32 2HG2 THR 32 -9.443 9.360 -16.018 286 3HG2 THR 32 3HG2 THR 32 -10.333 10.435 -17.117 287 H SER 33 H SER 33 -13.165 7.536 -14.221 288 HA SER 33 HA SER 33 -15.400 8.790 -13.059 289 1HB SER 33 2HB SER 33 -15.510 6.723 -14.398 290 2HB SER 33 3HB SER 33 -14.697 5.820 -13.105 291 HG SER 33 HG SER 33 -16.957 5.602 -12.967 292 H GLU 34 H GLU 34 -13.187 6.410 -11.475 293 HA GLU 34 HA GLU 34 -14.532 6.570 -9.020 294 1HB GLU 34 2HB GLU 34 -12.793 4.787 -9.959 295 2HB GLU 34 3HB GLU 34 -11.624 5.795 -9.090 296 1HG GLU 34 2HG GLU 34 -12.266 4.319 -7.397 297 2HG GLU 34 3HG GLU 34 -13.476 5.557 -7.127 298 H LYS 35 H LYS 35 -11.657 8.360 -10.205 299 HA LYS 35 HA LYS 35 -10.989 9.755 -7.840 300 1HB LYS 35 2HB LYS 35 -9.722 9.746 -9.930 301 2HB LYS 35 3HB LYS 35 -10.952 10.688 -10.751 302 1HG LYS 35 2HG LYS 35 -9.333 11.606 -8.323 303 2HG LYS 35 3HG LYS 35 -8.865 11.893 -9.996 304 1HD LYS 35 2HD LYS 35 -11.283 13.080 -8.587 305 2HD LYS 35 3HD LYS 35 -9.815 13.892 -9.103 306 1HE LYS 35 2HE LYS 35 -10.391 13.331 -11.498 307 2HE LYS 35 3HE LYS 35 -11.947 12.697 -10.930 308 1HZ LYS 35 1HZ LYS 35 -10.987 15.442 -10.619 309 2HZ LYS 35 2HZ LYS 35 -12.196 14.914 -11.610 310 3HZ LYS 35 3HZ LYS 35 -12.382 14.858 -9.970 311 H SER 36 H SER 36 -13.416 10.513 -10.384 312 HA SER 36 HA SER 36 -14.443 12.846 -9.125 313 1HB SER 36 2HB SER 36 -16.017 10.967 -10.930 314 2HB SER 36 3HB SER 36 -16.290 12.683 -10.618 315 HG SER 36 HG SER 36 -14.074 11.492 -11.957 316 H LYS 37 H LYS 37 -15.551 9.406 -8.913 317 HA LYS 37 HA LYS 37 -17.666 9.837 -7.097 318 1HB LYS 37 2HB LYS 37 -15.848 7.400 -7.176 319 2HB LYS 37 3HB LYS 37 -17.445 7.503 -6.446 320 1HG LYS 37 2HG LYS 37 -16.792 7.648 -9.408 321 2HG LYS 37 3HG LYS 37 -17.593 6.348 -8.544 322 1HD LYS 37 2HD LYS 37 -19.494 7.871 -8.016 323 2HD LYS 37 3HD LYS 37 -18.719 9.169 -8.943 324 1HE LYS 37 2HE LYS 37 -19.551 6.472 -10.099 325 2HE LYS 37 3HE LYS 37 -20.461 7.984 -10.242 326 1HZ LYS 37 1HZ LYS 37 -19.188 7.665 -12.172 327 2HZ LYS 37 2HZ LYS 37 -18.529 8.931 -11.351 328 3HZ LYS 37 3HZ LYS 37 -17.786 7.458 -11.346 329 H ILE 38 H ILE 38 -14.215 9.192 -6.320 330 HA ILE 38 HA ILE 38 -14.465 9.202 -3.510 331 HB ILE 38 HB ILE 38 -12.179 9.996 -5.349 332 1HG1 ILE 38 2HG1 ILE 38 -12.534 7.553 -3.553 333 2HG1 ILE 38 3HG1 ILE 38 -13.022 7.581 -5.246 334 1HG2 ILE 38 1HG2 ILE 38 -10.677 9.888 -3.396 335 2HG2 ILE 38 2HG2 ILE 38 -11.849 11.173 -3.180 336 3HG2 ILE 38 3HG2 ILE 38 -12.064 9.630 -2.325 337 1HD1 ILE 38 1HD1 ILE 38 -10.676 8.127 -5.908 338 2HD1 ILE 38 2HD1 ILE 38 -10.184 7.871 -4.215 339 3HD1 ILE 38 3HD1 ILE 38 -10.891 6.543 -5.143 340 H GLU 39 H GLU 39 -13.697 11.945 -5.727 341 HA GLU 39 HA GLU 39 -13.726 13.964 -3.730 342 1HB GLU 39 2HB GLU 39 -14.423 14.067 -6.687 343 2HB GLU 39 3HB GLU 39 -14.315 15.501 -5.652 344 1HG GLU 39 2HG GLU 39 -11.982 14.970 -5.074 345 2HG GLU 39 3HG GLU 39 -12.033 13.522 -6.087 346 H THR 40 H THR 40 -16.416 12.662 -5.689 347 HA THR 40 HA THR 40 -18.436 14.422 -4.780 348 HB THR 40 HB THR 40 -18.728 11.507 -5.630 349 HG1 THR 40 HG1 THR 40 -17.655 12.835 -7.172 350 1HG2 THR 40 1HG2 THR 40 -20.720 13.800 -5.687 351 2HG2 THR 40 2HG2 THR 40 -20.948 12.183 -6.389 352 3HG2 THR 40 3HG2 THR 40 -20.801 12.366 -4.631 353 H GLU 41 H GLU 41 -17.600 11.125 -3.565 354 HA GLU 41 HA GLU 41 -19.404 11.037 -1.399 355 1HB GLU 41 2HB GLU 41 -16.657 9.787 -1.821 356 2HB GLU 41 3HB GLU 41 -17.678 9.445 -0.412 357 1HG GLU 41 2HG GLU 41 -19.471 8.602 -1.877 358 2HG GLU 41 3HG GLU 41 -18.500 8.968 -3.311 359 H LEU 42 H LEU 42 -15.962 12.075 -1.440 360 HA LEU 42 HA LEU 42 -15.736 12.802 1.261 361 1HB LEU 42 2HB LEU 42 -13.810 12.579 -0.126 362 2HB LEU 42 3HB LEU 42 -14.397 13.748 -1.289 363 HG LEU 42 HG LEU 42 -14.102 15.576 0.418 364 1HD1 LEU 42 1HD1 LEU 42 -14.242 14.194 2.480 365 2HD1 LEU 42 2HD1 LEU 42 -12.747 13.350 2.009 366 3HD1 LEU 42 3HD1 LEU 42 -12.708 15.079 2.396 367 1HD2 LEU 42 1HD2 LEU 42 -12.396 15.101 -1.286 368 2HD2 LEU 42 2HD2 LEU 42 -11.651 15.615 0.237 369 3HD2 LEU 42 3HD2 LEU 42 -11.644 13.897 -0.218 370 H LYS 43 H LYS 43 -16.445 15.010 -1.506 371 HA LYS 43 HA LYS 43 -16.854 17.256 0.202 372 1HB LYS 43 2HB LYS 43 -17.630 16.701 -2.695 373 2HB LYS 43 3HB LYS 43 -17.812 18.275 -1.947 374 1HG LYS 43 2HG LYS 43 -15.181 16.781 -2.322 375 2HG LYS 43 3HG LYS 43 -15.761 18.141 -3.275 376 1HD LYS 43 2HD LYS 43 -14.904 18.184 -0.346 377 2HD LYS 43 3HD LYS 43 -14.104 18.926 -1.728 378 1HE LYS 43 2HE LYS 43 -16.124 20.407 -2.060 379 2HE LYS 43 3HE LYS 43 -16.804 19.750 -0.557 380 1HZ LYS 43 1HZ LYS 43 -14.262 21.182 -0.787 381 2HZ LYS 43 2HZ LYS 43 -15.670 21.781 -0.179 382 3HZ LYS 43 3HZ LYS 43 -14.893 20.556 0.602 383 H ASN 44 H ASN 44 -19.119 14.809 -1.016 384 HA ASN 44 HA ASN 44 -21.562 16.080 -0.052 385 1HB ASN 44 2HB ASN 44 -21.694 14.265 -1.634 386 2HB ASN 44 3HB ASN 44 -20.730 13.200 -0.607 387 1HD2 ASN 44 1HD2 ASN 44 -21.636 12.243 1.269 388 2HD2 ASN 44 2HD2 ASN 44 -23.379 12.238 1.514 389 H LYS 45 H LYS 45 -19.303 13.682 1.471 390 HA LYS 45 HA LYS 45 -20.779 13.585 3.908 391 1HB LYS 45 2HB LYS 45 -17.873 12.991 3.284 392 2HB LYS 45 3HB LYS 45 -18.594 12.731 4.875 393 1HG LYS 45 2HG LYS 45 -19.640 11.429 2.321 394 2HG LYS 45 3HG LYS 45 -18.480 10.701 3.424 395 1HD LYS 45 2HD LYS 45 -20.215 10.933 5.286 396 2HD LYS 45 3HD LYS 45 -21.365 11.484 4.069 397 1HE LYS 45 2HE LYS 45 -21.731 9.139 4.464 398 2HE LYS 45 3HE LYS 45 -21.112 9.357 2.820 399 1HZ LYS 45 1HZ LYS 45 -18.962 8.683 3.608 400 2HZ LYS 45 2HZ LYS 45 -19.518 8.540 5.154 401 3HZ LYS 45 3HZ LYS 45 -20.082 7.536 3.975 402 H MET 46 H MET 46 -18.226 15.812 2.800 403 HA MET 46 HA MET 46 -18.136 17.323 5.272 404 1HB MET 46 2HB MET 46 -17.646 18.186 2.382 405 2HB MET 46 3HB MET 46 -17.299 19.173 3.808 406 1HG MET 46 2HG MET 46 -16.059 16.450 3.260 407 2HG MET 46 3HG MET 46 -15.323 18.000 2.860 408 1HE MET 46 1HE MET 46 -13.069 16.628 5.664 409 2HE MET 46 2HE MET 46 -13.976 15.647 4.484 410 3HE MET 46 3HE MET 46 -13.208 17.168 3.968 411 H GLN 47 H GLN 47 -19.824 18.064 2.175 412 HA GLN 47 HA GLN 47 -21.430 20.132 3.488 413 1HB GLN 47 2HB GLN 47 -21.421 19.093 0.641 414 2HB GLN 47 3HB GLN 47 -22.210 20.572 1.194 415 1HG GLN 47 2HG GLN 47 -20.143 21.674 1.654 416 2HG GLN 47 3HG GLN 47 -19.197 20.190 1.490 417 1HE2 GLN 47 1HE2 GLN 47 -19.647 18.991 -0.675 418 2HE2 GLN 47 2HE2 GLN 47 -19.535 20.020 -2.115 419 H GLN 48 H GLN 48 -22.150 17.888 4.788 420 HA GLN 48 HA GLN 48 -24.432 16.607 3.498 421 1HB GLN 48 2HB GLN 48 -23.359 16.587 6.351 422 2HB GLN 48 3HB GLN 48 -24.896 15.829 5.903 423 1HG GLN 48 2HG GLN 48 -23.820 14.412 4.244 424 2HG GLN 48 3HG GLN 48 -22.268 15.177 4.595 425 1HE2 GLN 48 1HE2 GLN 48 -21.161 14.674 6.553 426 2HE2 GLN 48 2HE2 GLN 48 -21.669 13.333 7.583 427 H LYS 49 H LYS 49 -25.360 18.692 2.835 428 HA LYS 49 HA LYS 49 -26.348 20.714 4.477 429 1HB LYS 49 2HB LYS 49 -27.577 19.520 1.966 430 2HB LYS 49 3HB LYS 49 -28.128 21.022 2.731 431 1HG LYS 49 2HG LYS 49 -25.978 22.094 2.350 432 2HG LYS 49 3HG LYS 49 -25.254 20.581 1.800 433 1HD LYS 49 2HD LYS 49 -25.735 21.973 -0.107 434 2HD LYS 49 3HD LYS 49 -26.727 20.510 -0.159 435 1HE LYS 49 2HE LYS 49 -28.694 21.778 0.639 436 2HE LYS 49 3HE LYS 49 -27.697 23.233 0.846 437 1HZ LYS 49 1HZ LYS 49 -27.323 23.223 -1.509 438 2HZ LYS 49 2HZ LYS 49 -28.237 21.863 -1.694 439 3HZ LYS 49 3HZ LYS 49 -28.936 23.263 -1.180 440 H SER 50 H SER 50 -28.042 20.973 5.853 441 HA SER 50 HA SER 50 -29.554 20.391 7.421 442 1HB SER 50 2HB SER 50 -30.676 18.422 5.399 443 2HB SER 50 3HB SER 50 -31.519 19.158 6.759 444 HG SER 50 HG SER 50 -31.181 21.210 5.716 445 H GLN 51 H GLN 51 -27.088 19.214 7.651 446 HA GLN 51 HA GLN 51 -26.054 17.943 9.137 447 1HB GLN 51 2HB GLN 51 -28.773 16.811 9.930 448 2HB GLN 51 3HB GLN 51 -27.237 16.498 10.724 449 1HG GLN 51 2HG GLN 51 -28.291 18.191 12.003 450 2HG GLN 51 3HG GLN 51 -26.946 18.948 11.149 451 1HE2 GLN 51 1HE2 GLN 51 -30.491 18.293 10.711 452 2HE2 GLN 51 2HE2 GLN 51 -30.841 19.887 10.068 453 H LYS 52 H LYS 52 -28.418 16.049 7.260 454 HA LYS 52 HA LYS 52 -26.264 14.023 6.724 455 1HB LYS 52 2HB LYS 52 -29.247 13.543 7.104 456 2HB LYS 52 3HB LYS 52 -28.057 12.350 6.548 457 1HG LYS 52 2HG LYS 52 -26.781 12.680 8.671 458 2HG LYS 52 3HG LYS 52 -28.053 13.776 9.247 459 1HD LYS 52 2HD LYS 52 -29.735 11.942 8.980 460 2HD LYS 52 3HD LYS 52 -28.439 10.836 8.499 461 1HE LYS 52 2HE LYS 52 -28.660 12.273 11.192 462 2HE LYS 52 3HE LYS 52 -29.057 10.576 10.888 463 1HZ LYS 52 1HZ LYS 52 -26.889 10.792 11.805 464 2HZ LYS 52 2HZ LYS 52 -26.775 10.213 10.267 465 3HZ LYS 52 3HZ LYS 52 -26.401 11.786 10.587 466 H LYS 53 H LYS 53 -29.501 14.978 5.436 467 HA LYS 53 HA LYS 53 -28.331 15.439 2.778 468 1HB LYS 53 2HB LYS 53 -30.550 13.424 3.384 469 2HB LYS 53 3HB LYS 53 -30.187 14.072 1.774 470 1HG LYS 53 2HG LYS 53 -27.953 13.094 1.812 471 2HG LYS 53 3HG LYS 53 -28.179 12.536 3.469 472 1HD LYS 53 2HD LYS 53 -28.431 10.713 1.895 473 2HD LYS 53 3HD LYS 53 -29.916 10.965 2.812 474 1HE LYS 53 2HE LYS 53 -29.573 12.223 0.056 475 2HE LYS 53 3HE LYS 53 -29.993 10.512 0.218 476 1HZ LYS 53 1HZ LYS 53 -31.934 11.809 0.005 477 2HZ LYS 53 2HZ LYS 53 -31.898 11.114 1.494 478 3HZ LYS 53 3HZ LYS 53 -31.584 12.719 1.322 479 HA PRO 54 HA PRO 54 -31.527 18.588 3.145 480 1HB PRO 54 2HB PRO 54 -31.612 19.553 0.613 481 2HB PRO 54 3HB PRO 54 -30.174 19.742 1.652 482 1HG PRO 54 2HG PRO 54 -30.638 17.613 -0.458 483 2HG PRO 54 3HG PRO 54 -29.204 18.667 -0.272 484 1HD PRO 54 2HD PRO 54 -29.311 16.127 0.724 485 2HD PRO 54 3HD PRO 54 -28.437 17.427 1.581 486 H GLU 55 H GLU 55 -32.801 16.490 3.596 487 HA GLU 55 HA GLU 55 -34.571 15.113 3.299 488 1HB GLU 55 2HB GLU 55 -35.745 17.331 3.187 489 2HB GLU 55 3HB GLU 55 -35.655 17.260 1.419 490 1HG GLU 55 2HG GLU 55 -36.996 15.155 1.450 491 2HG GLU 55 3HG GLU 55 -37.049 15.221 3.221 Start of MODEL 13 1 1H MET 1 H MET 1 -15.282 11.934 11.201 2 HA MET 1 HA MET 1 -17.170 10.425 9.586 3 1HB MET 1 2HB MET 1 -14.798 12.163 8.772 4 2HB MET 1 3HB MET 1 -16.051 11.535 7.692 5 1HG MET 1 2HG MET 1 -17.776 12.807 8.968 6 2HG MET 1 3HG MET 1 -16.507 13.453 10.013 7 1HE MET 1 1HE MET 1 -18.156 13.528 6.501 8 2HE MET 1 2HE MET 1 -17.114 14.653 5.604 9 3HE MET 1 3HE MET 1 -16.511 13.037 6.016 10 H ALA 2 H ALA 2 -14.550 9.373 11.172 11 HA ALA 2 HA ALA 2 -12.712 8.227 9.519 12 1HB ALA 2 1HB ALA 2 -13.928 6.951 12.003 13 2HB ALA 2 2HB ALA 2 -12.369 6.523 11.263 14 3HB ALA 2 3HB ALA 2 -12.602 8.137 11.962 15 H SER 3 H SER 3 -15.850 6.648 10.413 16 HA SER 3 HA SER 3 -15.613 4.325 8.932 17 1HB SER 3 2HB SER 3 -18.171 5.955 9.193 18 2HB SER 3 3HB SER 3 -17.989 4.193 9.161 19 HG SER 3 HG SER 3 -16.894 4.374 11.179 20 H VAL 4 H VAL 4 -16.731 7.565 7.806 21 HA VAL 4 HA VAL 4 -17.550 6.622 5.195 22 HB VAL 4 HB VAL 4 -16.926 9.423 6.207 23 1HG1 VAL 4 1HG1 VAL 4 -18.302 10.169 4.296 24 2HG1 VAL 4 2HG1 VAL 4 -16.829 9.358 3.760 25 3HG1 VAL 4 3HG1 VAL 4 -18.381 8.495 3.699 26 1HG2 VAL 4 1HG2 VAL 4 -19.570 7.925 5.939 27 2HG2 VAL 4 2HG2 VAL 4 -18.788 8.393 7.463 28 3HG2 VAL 4 3HG2 VAL 4 -19.397 9.639 6.369 29 H LEU 5 H LEU 5 -14.665 8.286 6.535 30 HA LEU 5 HA LEU 5 -13.187 8.452 4.104 31 1HB LEU 5 2HB LEU 5 -12.125 7.985 6.920 32 2HB LEU 5 3HB LEU 5 -11.179 8.529 5.533 33 HG LEU 5 HG LEU 5 -13.471 10.077 6.831 34 1HD1 LEU 5 1HD1 LEU 5 -11.703 11.583 7.609 35 2HD1 LEU 5 2HD1 LEU 5 -11.433 9.943 8.222 36 3HD1 LEU 5 3HD1 LEU 5 -10.465 10.549 6.861 37 1HD2 LEU 5 1HD2 LEU 5 -12.664 11.962 5.413 38 2HD2 LEU 5 2HD2 LEU 5 -11.610 10.828 4.541 39 3HD2 LEU 5 3HD2 LEU 5 -13.381 10.655 4.468 40 H GLU 6 H GLU 6 -13.313 5.820 6.531 41 HA GLU 6 HA GLU 6 -11.556 4.040 5.237 42 1HB GLU 6 2HB GLU 6 -12.381 3.839 7.568 43 2HB GLU 6 3HB GLU 6 -13.979 3.378 6.964 44 1HG GLU 6 2HG GLU 6 -13.017 1.362 5.902 45 2HG GLU 6 3HG GLU 6 -11.394 1.857 6.417 46 H GLU 7 H GLU 7 -15.144 4.314 4.936 47 HA GLU 7 HA GLU 7 -15.537 2.257 3.041 48 1HB GLU 7 2HB GLU 7 -17.004 4.890 3.461 49 2HB GLU 7 3HB GLU 7 -17.570 3.624 2.371 50 1HG GLU 7 2HG GLU 7 -17.935 2.077 4.137 51 2HG GLU 7 3HG GLU 7 -17.006 3.021 5.297 52 H LEU 8 H LEU 8 -14.882 5.756 2.453 53 HA LEU 8 HA LEU 8 -14.852 5.528 -0.398 54 1HB LEU 8 2HB LEU 8 -13.514 7.508 1.478 55 2HB LEU 8 3HB LEU 8 -13.575 7.716 -0.274 56 HG LEU 8 HG LEU 8 -16.077 7.456 1.460 57 1HD1 LEU 8 1HD1 LEU 8 -14.793 9.451 2.105 58 2HD1 LEU 8 2HD1 LEU 8 -14.679 9.935 0.400 59 3HD1 LEU 8 3HD1 LEU 8 -16.257 9.910 1.216 60 1HD2 LEU 8 1HD2 LEU 8 -16.490 6.912 -0.918 61 2HD2 LEU 8 2HD2 LEU 8 -17.200 8.469 -0.498 62 3HD2 LEU 8 3HD2 LEU 8 -15.681 8.415 -1.409 63 H GLN 9 H GLN 9 -12.190 5.300 1.993 64 HA GLN 9 HA GLN 9 -10.082 4.892 0.157 65 1HB GLN 9 2HB GLN 9 -9.963 5.372 2.611 66 2HB GLN 9 3HB GLN 9 -10.386 3.700 2.951 67 1HG GLN 9 2HG GLN 9 -7.932 4.705 1.425 68 2HG GLN 9 3HG GLN 9 -7.952 4.204 3.118 69 1HE2 GLN 9 2HE2 GLN 9 -9.527 1.825 2.983 70 2HE2 GLN 9 1HE2 GLN 9 -8.656 0.676 1.974 71 H LYS 10 H LYS 10 -12.292 2.517 1.705 72 HA LYS 10 HA LYS 10 -11.237 0.174 0.548 73 1HB LYS 10 2HB LYS 10 -12.964 0.437 2.406 74 2HB LYS 10 3HB LYS 10 -14.186 0.652 1.153 75 1HG LYS 10 2HG LYS 10 -12.411 -1.800 1.564 76 2HG LYS 10 3HG LYS 10 -14.088 -1.609 2.080 77 1HD LYS 10 2HD LYS 10 -14.652 -1.232 -0.441 78 2HD LYS 10 3HD LYS 10 -13.016 -1.846 -0.751 79 1HE LYS 10 2HE LYS 10 -14.506 -3.678 -0.988 80 2HE LYS 10 3HE LYS 10 -13.574 -3.936 0.496 81 1HZ LYS 10 1HZ LYS 10 -16.310 -2.861 0.336 82 2HZ LYS 10 2HZ LYS 10 -15.906 -4.398 0.765 83 3HZ LYS 10 3HZ LYS 10 -15.472 -3.137 1.728 84 H ASP 11 H ASP 11 -13.880 2.352 -0.639 85 HA ASP 11 HA ASP 11 -14.344 0.993 -3.073 86 1HB ASP 11 2HB ASP 11 -15.804 2.795 -2.274 87 2HB ASP 11 3HB ASP 11 -14.526 3.988 -2.561 88 H LEU 12 H LEU 12 -11.997 3.614 -2.370 89 HA LEU 12 HA LEU 12 -10.851 3.896 -4.893 90 1HB LEU 12 2HB LEU 12 -10.488 5.185 -2.707 91 2HB LEU 12 3HB LEU 12 -9.199 4.034 -2.355 92 HG LEU 12 HG LEU 12 -9.375 5.762 -4.871 93 1HD1 LEU 12 1HD1 LEU 12 -7.766 6.167 -2.313 94 2HD1 LEU 12 2HD1 LEU 12 -7.672 7.173 -3.775 95 3HD1 LEU 12 3HD1 LEU 12 -9.167 7.131 -2.828 96 1HD2 LEU 12 1HD2 LEU 12 -6.898 5.258 -4.993 97 2HD2 LEU 12 2HD2 LEU 12 -7.128 4.043 -3.719 98 3HD2 LEU 12 3HD2 LEU 12 -7.922 3.862 -5.303 99 H GLU 13 H GLU 13 -9.767 1.680 -2.246 100 HA GLU 13 HA GLU 13 -7.824 0.238 -3.728 101 1HB GLU 13 2HB GLU 13 -9.596 -0.444 -1.370 102 2HB GLU 13 3HB GLU 13 -8.646 -1.719 -2.146 103 1HG GLU 13 2HG GLU 13 -6.587 -0.542 -1.831 104 2HG GLU 13 3HG GLU 13 -7.426 0.881 -1.171 105 H GLU 14 H GLU 14 -11.324 -0.475 -3.368 106 HA GLU 14 HA GLU 14 -11.349 -2.848 -4.839 107 1HB GLU 14 2HB GLU 14 -13.210 -1.919 -3.444 108 2HB GLU 14 3HB GLU 14 -13.588 -0.778 -4.745 109 1HG GLU 14 2HG GLU 14 -14.033 -2.677 -6.283 110 2HG GLU 14 3HG GLU 14 -13.605 -3.820 -4.998 111 H VAL 15 H VAL 15 -11.952 0.506 -6.075 112 HA VAL 15 HA VAL 15 -12.231 -0.396 -8.759 113 HB VAL 15 HB VAL 15 -13.134 1.718 -8.067 114 1HG1 VAL 15 1HG1 VAL 15 -11.738 3.765 -7.956 115 2HG1 VAL 15 2HG1 VAL 15 -11.411 2.648 -6.639 116 3HG1 VAL 15 3HG1 VAL 15 -10.270 2.790 -7.997 117 1HG2 VAL 15 1HG2 VAL 15 -12.646 1.201 -10.452 118 2HG2 VAL 15 2HG2 VAL 15 -12.605 2.938 -10.100 119 3HG2 VAL 15 3HG2 VAL 15 -11.087 2.047 -10.290 120 H LYS 16 H LYS 16 -9.346 0.920 -7.025 121 HA LYS 16 HA LYS 16 -7.506 0.900 -9.121 122 1HB LYS 16 2HB LYS 16 -7.193 1.757 -6.810 123 2HB LYS 16 3HB LYS 16 -6.990 0.093 -6.235 124 1HG LYS 16 2HG LYS 16 -5.052 -0.083 -7.939 125 2HG LYS 16 3HG LYS 16 -5.200 1.669 -8.127 126 1HD LYS 16 2HD LYS 16 -4.585 0.111 -5.570 127 2HD LYS 16 3HD LYS 16 -3.457 1.106 -6.503 128 1HE LYS 16 2HE LYS 16 -4.896 3.124 -5.991 129 2HE LYS 16 3HE LYS 16 -5.898 2.095 -4.945 130 1HZ LYS 16 1HZ LYS 16 -4.260 3.261 -3.706 131 2HZ LYS 16 2HZ LYS 16 -3.984 1.640 -3.627 132 3HZ LYS 16 3HZ LYS 16 -3.036 2.593 -4.582 133 H VAL 17 H VAL 17 -8.214 -1.746 -6.840 134 HA VAL 17 HA VAL 17 -6.568 -3.736 -7.997 135 HB VAL 17 HB VAL 17 -9.040 -3.836 -6.231 136 1HG1 VAL 17 1HG1 VAL 17 -7.164 -6.109 -6.988 137 2HG1 VAL 17 2HG1 VAL 17 -8.321 -6.134 -5.638 138 3HG1 VAL 17 3HG1 VAL 17 -8.919 -6.013 -7.300 139 1HG2 VAL 17 1HG2 VAL 17 -7.399 -4.250 -4.457 140 2HG2 VAL 17 2HG2 VAL 17 -6.074 -4.299 -5.638 141 3HG2 VAL 17 3HG2 VAL 17 -6.913 -2.779 -5.309 142 H LEU 18 H LEU 18 -10.065 -2.941 -8.609 143 HA LEU 18 HA LEU 18 -10.373 -4.907 -10.631 144 1HB LEU 18 2HB LEU 18 -11.811 -2.388 -9.926 145 2HB LEU 18 3HB LEU 18 -11.857 -2.809 -11.625 146 HG LEU 18 HG LEU 18 -13.019 -4.363 -9.312 147 1HD1 LEU 18 1HD1 LEU 18 -14.263 -2.500 -10.465 148 2HD1 LEU 18 2HD1 LEU 18 -14.049 -3.354 -12.012 149 3HD1 LEU 18 3HD1 LEU 18 -15.041 -4.074 -10.721 150 1HD2 LEU 18 1HD2 LEU 18 -12.081 -6.184 -10.614 151 2HD2 LEU 18 2HD2 LEU 18 -13.751 -6.024 -11.132 152 3HD2 LEU 18 3HD2 LEU 18 -12.459 -5.356 -12.149 153 H LEU 19 H LEU 19 -9.054 -1.562 -10.934 154 HA LEU 19 HA LEU 19 -8.890 -1.598 -13.763 155 1HB LEU 19 2HB LEU 19 -6.735 -0.329 -12.025 156 2HB LEU 19 3HB LEU 19 -7.238 0.083 -13.661 157 HG LEU 19 HG LEU 19 -8.642 0.678 -11.077 158 1HD1 LEU 19 1HD1 LEU 19 -6.892 2.198 -11.839 159 2HD1 LEU 19 2HD1 LEU 19 -7.765 2.432 -13.369 160 3HD1 LEU 19 3HD1 LEU 19 -8.498 2.948 -11.831 161 1HD2 LEU 19 1HD2 LEU 19 -9.817 0.761 -13.880 162 2HD2 LEU 19 2HD2 LEU 19 -10.482 -0.058 -12.456 163 3HD2 LEU 19 3HD2 LEU 19 -10.441 1.710 -12.517 164 H GLU 20 H GLU 20 -6.494 -2.575 -11.321 165 HA GLU 20 HA GLU 20 -4.467 -3.526 -13.039 166 1HB GLU 20 2HB GLU 20 -5.297 -4.480 -10.262 167 2HB GLU 20 3HB GLU 20 -3.793 -4.933 -11.073 168 1HG GLU 20 2HG GLU 20 -3.026 -2.630 -11.101 169 2HG GLU 20 3HG GLU 20 -4.572 -2.034 -10.493 170 H LYS 21 H LYS 21 -7.030 -5.494 -11.414 171 HA LYS 21 HA LYS 21 -6.322 -7.917 -12.726 172 1HB LYS 21 2HB LYS 21 -8.958 -7.028 -11.485 173 2HB LYS 21 3HB LYS 21 -8.583 -8.677 -12.038 174 1HG LYS 21 2HG LYS 21 -6.761 -8.888 -10.446 175 2HG LYS 21 3HG LYS 21 -6.927 -7.201 -9.956 176 1HD LYS 21 2HD LYS 21 -7.890 -8.623 -8.280 177 2HD LYS 21 3HD LYS 21 -9.156 -7.633 -9.008 178 1HE LYS 21 2HE LYS 21 -8.643 -10.469 -9.998 179 2HE LYS 21 3HE LYS 21 -9.574 -10.182 -8.522 180 1HZ LYS 21 1HZ LYS 21 -11.085 -8.839 -9.744 181 2HZ LYS 21 2HZ LYS 21 -10.263 -9.083 -11.147 182 3HZ LYS 21 3HZ LYS 21 -10.994 -10.350 -10.393 183 H SER 22 H SER 22 -8.566 -5.348 -13.673 184 HA SER 22 HA SER 22 -9.824 -6.728 -15.845 185 1HB SER 22 2HB SER 22 -9.439 -3.754 -15.238 186 2HB SER 22 3HB SER 22 -10.374 -4.359 -16.600 187 HG SER 22 HG SER 22 -10.778 -4.776 -13.844 188 H THR 23 H THR 23 -7.103 -4.369 -15.761 189 HA THR 23 HA THR 23 -5.422 -3.959 -17.125 190 HB THR 23 HB THR 23 -5.772 -6.650 -18.501 191 HG1 THR 23 HG1 THR 23 -5.170 -6.131 -15.815 192 1HG2 THR 23 1HG2 THR 23 -3.912 -5.220 -19.295 193 2HG2 THR 23 2HG2 THR 23 -3.310 -5.073 -17.628 194 3HG2 THR 23 3HG2 THR 23 -3.309 -6.651 -18.439 195 H ARG 24 H ARG 24 -8.267 -5.078 -18.870 196 HA ARG 24 HA ARG 24 -8.020 -4.051 -21.400 197 1HB ARG 24 2HB ARG 24 -10.276 -3.643 -19.384 198 2HB ARG 24 3HB ARG 24 -10.461 -3.413 -21.124 199 1HG ARG 24 2HG ARG 24 -10.199 -5.733 -21.583 200 2HG ARG 24 3HG ARG 24 -9.623 -6.113 -19.959 201 1HD ARG 24 2HD ARG 24 -12.397 -5.019 -20.558 202 2HD ARG 24 3HD ARG 24 -12.008 -6.741 -20.349 203 HE ARG 24 HE ARG 24 -10.990 -5.597 -18.075 204 1HH1 ARG 24 2HH1 ARG 24 -14.145 -5.909 -19.593 205 2HH1 ARG 24 1HH1 ARG 24 -15.047 -5.863 -18.103 206 1HH2 ARG 24 2HH2 ARG 24 -12.193 -5.383 -16.039 207 2HH2 ARG 24 1HH2 ARG 24 -13.901 -5.670 -16.083 208 H LYS 25 H LYS 25 -8.302 -1.944 -22.348 209 HA LYS 25 HA LYS 25 -6.901 0.103 -21.122 210 1HB LYS 25 2HB LYS 25 -7.583 -0.422 -23.661 211 2HB LYS 25 3HB LYS 25 -8.857 0.751 -23.297 212 1HG LYS 25 2HG LYS 25 -7.129 1.976 -24.284 213 2HG LYS 25 3HG LYS 25 -6.993 2.355 -22.566 214 1HD LYS 25 2HD LYS 25 -5.159 0.590 -22.399 215 2HD LYS 25 3HD LYS 25 -5.279 0.367 -24.147 216 1HE LYS 25 2HE LYS 25 -4.547 2.963 -22.702 217 2HE LYS 25 3HE LYS 25 -3.415 1.865 -23.507 218 1HZ LYS 25 1HZ LYS 25 -4.548 2.309 -25.569 219 2HZ LYS 25 2HZ LYS 25 -5.573 3.362 -24.820 220 3HZ LYS 25 3HZ LYS 25 -3.963 3.695 -24.898 221 H ARG 26 H ARG 26 -9.737 -0.678 -19.842 222 HA ARG 26 HA ARG 26 -11.275 1.785 -19.860 223 1HB ARG 26 2HB ARG 26 -12.649 0.680 -18.246 224 2HB ARG 26 3HB ARG 26 -12.292 -0.460 -19.540 225 1HG ARG 26 2HG ARG 26 -10.612 -1.604 -18.136 226 2HG ARG 26 3HG ARG 26 -10.831 -0.424 -16.837 227 1HD ARG 26 2HD ARG 26 -13.016 -2.254 -17.882 228 2HD ARG 26 3HD ARG 26 -12.046 -2.524 -16.418 229 HE ARG 26 HE ARG 26 -13.131 0.065 -16.191 230 1HH1 ARG 26 1HH1 ARG 26 -14.234 -3.285 -16.239 231 2HH1 ARG 26 2HH1 ARG 26 -15.651 -2.986 -15.260 232 1HH2 ARG 26 2HH2 ARG 26 -14.951 0.496 -14.997 233 2HH2 ARG 26 1HH2 ARG 26 -16.066 -0.760 -14.512 234 H LEU 27 H LEU 27 -8.459 0.659 -18.191 235 HA LEU 27 HA LEU 27 -8.672 1.418 -15.655 236 1HB LEU 27 2HB LEU 27 -6.146 2.250 -17.104 237 2HB LEU 27 3HB LEU 27 -6.365 1.733 -15.440 238 HG LEU 27 HG LEU 27 -7.293 -0.490 -16.739 239 1HD1 LEU 27 1HD1 LEU 27 -5.767 -0.912 -18.660 240 2HD1 LEU 27 2HD1 LEU 27 -6.628 0.611 -18.964 241 3HD1 LEU 27 3HD1 LEU 27 -4.957 0.638 -18.403 242 1HD2 LEU 27 1HD2 LEU 27 -4.364 0.114 -16.112 243 2HD2 LEU 27 2HD2 LEU 27 -5.559 -0.529 -14.972 244 3HD2 LEU 27 3HD2 LEU 27 -5.066 -1.499 -16.364 245 H ARG 28 H ARG 28 -7.625 3.792 -18.141 246 HA ARG 28 HA ARG 28 -7.475 6.004 -16.356 247 1HB ARG 28 2HB ARG 28 -7.863 5.854 -19.369 248 2HB ARG 28 3HB ARG 28 -7.569 7.359 -18.473 249 1HG ARG 28 2HG ARG 28 -5.429 6.537 -17.649 250 2HG ARG 28 3HG ARG 28 -5.694 4.947 -18.375 251 1HD ARG 28 2HD ARG 28 -4.162 6.281 -19.724 252 2HD ARG 28 3HD ARG 28 -5.606 5.895 -20.640 253 HE ARG 28 HE ARG 28 -4.729 8.517 -19.549 254 1HH1 ARG 28 2HH2 ARG 28 -7.290 6.791 -21.309 255 2HH1 ARG 28 1HH2 ARG 28 -7.938 8.238 -22.027 256 1HH2 ARG 28 2HH1 ARG 28 -5.618 10.388 -20.440 257 2HH2 ARG 28 1HH1 ARG 28 -7.006 10.311 -21.490 258 H ASP 29 H ASP 29 -10.093 5.029 -18.620 259 HA ASP 29 HA ASP 29 -11.885 7.143 -18.113 260 1HB ASP 29 2HB ASP 29 -12.481 4.212 -18.768 261 2HB ASP 29 3HB ASP 29 -13.614 5.549 -18.935 262 H THR 30 H THR 30 -11.691 3.940 -16.638 263 HA THR 30 HA THR 30 -13.808 4.177 -14.772 264 HB THR 30 HB THR 30 -11.300 2.451 -14.638 265 HG1 THR 30 HG1 THR 30 -12.285 2.157 -16.592 266 1HG2 THR 30 1HG2 THR 30 -12.693 2.377 -12.576 267 2HG2 THR 30 2HG2 THR 30 -14.113 1.960 -13.555 268 3HG2 THR 30 3HG2 THR 30 -12.726 0.843 -13.477 269 H LEU 31 H LEU 31 -10.266 4.642 -14.411 270 HA LEU 31 HA LEU 31 -10.137 5.301 -11.708 271 1HB LEU 31 2HB LEU 31 -8.155 4.851 -13.076 272 2HB LEU 31 3HB LEU 31 -8.472 6.265 -14.074 273 HG LEU 31 HG LEU 31 -8.030 7.748 -12.139 274 1HD1 LEU 31 1HD1 LEU 31 -7.357 5.131 -10.718 275 2HD1 LEU 31 2HD1 LEU 31 -6.941 6.749 -10.117 276 3HD1 LEU 31 3HD1 LEU 31 -8.640 6.278 -10.260 277 1HD2 LEU 31 1HD2 LEU 31 -6.237 7.133 -13.710 278 2HD2 LEU 31 2HD2 LEU 31 -5.608 7.360 -12.070 279 3HD2 LEU 31 3HD2 LEU 31 -5.834 5.719 -12.712 280 H THR 32 H THR 32 -10.256 7.600 -14.497 281 HA THR 32 HA THR 32 -10.433 9.930 -12.903 282 HB THR 32 HB THR 32 -11.397 10.979 -15.000 283 HG1 THR 32 HG1 THR 32 -10.936 8.387 -16.085 284 1HG2 THR 32 1HG2 THR 32 -9.322 10.686 -16.311 285 2HG2 THR 32 2HG2 THR 32 -8.975 10.930 -14.590 286 3HG2 THR 32 3HG2 THR 32 -8.855 9.307 -15.296 287 H SER 33 H SER 33 -13.075 8.025 -14.411 288 HA SER 33 HA SER 33 -15.232 9.547 -13.467 289 1HB SER 33 2HB SER 33 -15.120 6.516 -13.817 290 2HB SER 33 3HB SER 33 -16.581 7.519 -13.738 291 HG SER 33 HG SER 33 -14.534 7.575 -15.704 292 H GLU 34 H GLU 34 -13.783 6.638 -11.842 293 HA GLU 34 HA GLU 34 -15.560 6.897 -9.632 294 1HB GLU 34 2HB GLU 34 -14.333 4.788 -10.404 295 2HB GLU 34 3HB GLU 34 -12.903 5.434 -9.584 296 1HG GLU 34 2HG GLU 34 -14.050 3.921 -8.059 297 2HG GLU 34 3HG GLU 34 -14.304 5.552 -7.448 298 H LYS 35 H LYS 35 -12.198 8.017 -10.152 299 HA LYS 35 HA LYS 35 -11.641 9.073 -7.602 300 1HB LYS 35 2HB LYS 35 -10.040 8.899 -9.440 301 2HB LYS 35 3HB LYS 35 -10.903 10.147 -10.358 302 1HG LYS 35 2HG LYS 35 -10.429 11.777 -8.520 303 2HG LYS 35 3HG LYS 35 -9.505 10.533 -7.675 304 1HD LYS 35 2HD LYS 35 -8.929 11.742 -10.427 305 2HD LYS 35 3HD LYS 35 -8.055 12.087 -8.932 306 1HE LYS 35 2HE LYS 35 -8.092 9.444 -10.460 307 2HE LYS 35 3HE LYS 35 -6.743 10.571 -10.304 308 1HZ LYS 35 1HZ LYS 35 -7.966 9.053 -8.110 309 2HZ LYS 35 2HZ LYS 35 -6.506 8.751 -8.812 310 3HZ LYS 35 3HZ LYS 35 -6.733 10.135 -7.946 311 H SER 36 H SER 36 -13.290 10.630 -10.406 312 HA SER 36 HA SER 36 -13.884 13.076 -9.134 313 1HB SER 36 2HB SER 36 -15.566 11.650 -11.240 314 2HB SER 36 3HB SER 36 -15.613 13.369 -10.818 315 HG SER 36 HG SER 36 -13.428 11.923 -11.923 316 H LYS 37 H LYS 37 -15.904 10.080 -9.287 317 HA LYS 37 HA LYS 37 -18.023 11.026 -7.666 318 1HB LYS 37 2HB LYS 37 -16.908 8.210 -7.941 319 2HB LYS 37 3HB LYS 37 -18.424 8.607 -7.141 320 1HG LYS 37 2HG LYS 37 -17.821 9.211 -10.067 321 2HG LYS 37 3HG LYS 37 -18.667 7.778 -9.473 322 1HD LYS 37 2HD LYS 37 -20.392 9.276 -8.410 323 2HD LYS 37 3HD LYS 37 -19.622 10.672 -9.185 324 1HE LYS 37 2HE LYS 37 -20.810 8.262 -10.635 325 2HE LYS 37 3HE LYS 37 -21.562 9.856 -10.476 326 1HZ LYS 37 1HZ LYS 37 -19.031 9.295 -11.852 327 2HZ LYS 37 2HZ LYS 37 -20.478 9.628 -12.566 328 3HZ LYS 37 3HZ LYS 37 -19.713 10.785 -11.677 329 H ILE 38 H ILE 38 -15.075 9.237 -6.605 330 HA ILE 38 HA ILE 38 -15.626 9.208 -3.861 331 HB ILE 38 HB ILE 38 -12.986 9.338 -5.356 332 1HG1 ILE 38 2HG1 ILE 38 -14.268 7.002 -3.867 333 2HG1 ILE 38 3HG1 ILE 38 -14.594 7.308 -5.569 334 1HG2 ILE 38 1HG2 ILE 38 -13.460 8.792 -2.394 335 2HG2 ILE 38 2HG2 ILE 38 -11.913 8.578 -3.233 336 3HG2 ILE 38 3HG2 ILE 38 -12.593 10.184 -3.062 337 1HD1 ILE 38 1HD1 ILE 38 -11.858 6.697 -4.377 338 2HD1 ILE 38 2HD1 ILE 38 -12.839 5.660 -5.412 339 3HD1 ILE 38 3HD1 ILE 38 -12.153 7.153 -6.071 340 H GLU 39 H GLU 39 -13.790 11.722 -5.701 341 HA GLU 39 HA GLU 39 -13.455 13.473 -3.469 342 1HB GLU 39 2HB GLU 39 -13.329 13.769 -6.464 343 2HB GLU 39 3HB GLU 39 -13.463 15.234 -5.487 344 1HG GLU 39 2HG GLU 39 -11.114 14.681 -5.940 345 2HG GLU 39 3HG GLU 39 -11.483 14.709 -4.214 346 H THR 40 H THR 40 -16.086 13.333 -5.886 347 HA THR 40 HA THR 40 -17.551 15.577 -4.978 348 HB THR 40 HB THR 40 -18.558 12.981 -6.226 349 HG1 THR 40 HG1 THR 40 -17.018 14.071 -7.473 350 1HG2 THR 40 1HG2 THR 40 -20.409 14.328 -7.069 351 2HG2 THR 40 2HG2 THR 40 -20.444 14.255 -5.298 352 3HG2 THR 40 3HG2 THR 40 -19.857 15.726 -6.118 353 H GLU 41 H GLU 41 -17.861 12.130 -4.027 354 HA GLU 41 HA GLU 41 -19.875 12.442 -2.055 355 1HB GLU 41 2HB GLU 41 -17.633 10.405 -2.377 356 2HB GLU 41 3HB GLU 41 -18.916 10.276 -1.166 357 1HG GLU 41 2HG GLU 41 -20.635 10.154 -2.872 358 2HG GLU 41 3HG GLU 41 -19.466 10.463 -4.160 359 H LEU 42 H LEU 42 -16.293 12.341 -1.738 360 HA LEU 42 HA LEU 42 -16.128 12.619 1.028 361 1HB LEU 42 2HB LEU 42 -14.236 12.031 -0.428 362 2HB LEU 42 3HB LEU 42 -14.262 13.629 -1.155 363 HG LEU 42 HG LEU 42 -13.637 14.645 1.033 364 1HD1 LEU 42 1HD1 LEU 42 -12.794 13.146 2.836 365 2HD1 LEU 42 2HD1 LEU 42 -14.534 12.958 2.604 366 3HD1 LEU 42 3HD1 LEU 42 -13.415 11.739 1.952 367 1HD2 LEU 42 1HD2 LEU 42 -11.931 14.039 -0.641 368 2HD2 LEU 42 2HD2 LEU 42 -11.312 13.841 1.009 369 3HD2 LEU 42 3HD2 LEU 42 -11.800 12.416 0.068 370 H LYS 43 H LYS 43 -16.065 15.230 -1.462 371 HA LYS 43 HA LYS 43 -15.955 17.377 0.394 372 1HB LYS 43 2HB LYS 43 -15.535 17.334 -2.148 373 2HB LYS 43 3HB LYS 43 -17.274 17.542 -2.348 374 1HG LYS 43 2HG LYS 43 -15.369 19.388 -0.818 375 2HG LYS 43 3HG LYS 43 -15.940 19.624 -2.475 376 1HD LYS 43 2HD LYS 43 -18.313 19.772 -1.563 377 2HD LYS 43 3HD LYS 43 -17.617 19.703 0.071 378 1HE LYS 43 2HE LYS 43 -18.049 21.990 -0.461 379 2HE LYS 43 3HE LYS 43 -16.307 21.726 -0.325 380 1HZ LYS 43 1HZ LYS 43 -17.827 21.871 -2.843 381 2HZ LYS 43 2HZ LYS 43 -16.909 23.082 -2.208 382 3HZ LYS 43 3HZ LYS 43 -16.193 21.690 -2.714 383 H ASN 44 H ASN 44 -18.775 15.984 -1.376 384 HA ASN 44 HA ASN 44 -20.908 17.401 -0.216 385 1HB ASN 44 2HB ASN 44 -21.277 15.947 -2.037 386 2HB ASN 44 3HB ASN 44 -20.670 14.550 -1.146 387 1HD2 ASN 44 2HD2 ASN 44 -22.019 13.383 0.171 388 2HD2 ASN 44 1HD2 ASN 44 -23.713 13.828 0.403 389 H LYS 45 H LYS 45 -19.360 14.467 1.200 390 HA LYS 45 HA LYS 45 -21.108 14.397 3.422 391 1HB LYS 45 2HB LYS 45 -18.300 13.346 3.005 392 2HB LYS 45 3HB LYS 45 -19.250 12.985 4.450 393 1HG LYS 45 2HG LYS 45 -20.359 12.402 1.677 394 2HG LYS 45 3HG LYS 45 -19.276 11.289 2.507 395 1HD LYS 45 2HD LYS 45 -20.854 11.172 4.434 396 2HD LYS 45 3HD LYS 45 -21.931 12.318 3.629 397 1HE LYS 45 2HE LYS 45 -22.775 10.066 3.311 398 2HE LYS 45 3HE LYS 45 -22.249 10.716 1.750 399 1HZ LYS 45 1HZ LYS 45 -21.532 8.464 2.094 400 2HZ LYS 45 2HZ LYS 45 -20.227 9.461 1.987 401 3HZ LYS 45 3HZ LYS 45 -20.706 8.883 3.455 402 H MET 46 H MET 46 -18.499 16.689 2.884 403 HA MET 46 HA MET 46 -18.071 17.301 5.689 404 1HB MET 46 2HB MET 46 -17.743 19.114 3.263 405 2HB MET 46 3HB MET 46 -17.074 19.370 4.875 406 1HG MET 46 2HG MET 46 -16.352 17.092 2.999 407 2HG MET 46 3HG MET 46 -15.384 18.526 3.309 408 1HE MET 46 1HE MET 46 -13.366 15.521 4.843 409 2HE MET 46 2HE MET 46 -14.459 15.445 3.440 410 3HE MET 46 3HE MET 46 -13.359 16.833 3.638 411 H GLN 47 H GLN 47 -20.419 18.255 3.240 412 HA GLN 47 HA GLN 47 -22.179 19.430 5.249 413 1HB GLN 47 2HB GLN 47 -22.484 21.549 4.249 414 2HB GLN 47 3HB GLN 47 -20.780 21.347 4.631 415 1HG GLN 47 2HG GLN 47 -22.078 21.428 1.881 416 2HG GLN 47 3HG GLN 47 -20.933 22.539 2.601 417 1HE2 GLN 47 1HE2 GLN 47 -21.262 19.211 1.377 418 2HE2 GLN 47 2HE2 GLN 47 -19.534 18.973 1.077 419 H GLN 48 H GLN 48 -23.287 17.557 4.784 420 HA GLN 48 HA GLN 48 -23.645 16.468 2.291 421 1HB GLN 48 2HB GLN 48 -24.278 15.778 4.901 422 2HB GLN 48 3HB GLN 48 -25.868 15.816 4.141 423 1HG GLN 48 2HG GLN 48 -23.456 14.415 2.896 424 2HG GLN 48 3HG GLN 48 -24.485 13.612 4.098 425 1HE2 GLN 48 1HE2 GLN 48 -26.616 12.856 3.437 426 2HE2 GLN 48 2HE2 GLN 48 -27.078 12.945 1.736 427 H LYS 49 H LYS 49 -24.397 17.369 0.541 428 HA LYS 49 HA LYS 49 -26.890 18.998 0.557 429 1HB LYS 49 2HB LYS 49 -24.776 18.395 -1.539 430 2HB LYS 49 3HB LYS 49 -26.251 19.324 -1.862 431 1HG LYS 49 2HG LYS 49 -25.647 20.996 -0.187 432 2HG LYS 49 3HG LYS 49 -24.188 20.117 0.239 433 1HD LYS 49 2HD LYS 49 -24.813 21.405 -2.461 434 2HD LYS 49 3HD LYS 49 -23.692 22.017 -1.241 435 1HE LYS 49 2HE LYS 49 -23.379 19.493 -2.927 436 2HE LYS 49 3HE LYS 49 -22.404 20.961 -2.984 437 1HZ LYS 49 1HZ LYS 49 -21.656 20.482 -0.757 438 2HZ LYS 49 2HZ LYS 49 -22.562 19.108 -0.714 439 3HZ LYS 49 3HZ LYS 49 -21.311 19.235 -1.777 440 H SER 50 H SER 50 -25.539 15.879 -0.473 441 HA SER 50 HA SER 50 -27.802 15.186 -2.184 442 1HB SER 50 2HB SER 50 -25.601 13.357 -1.147 443 2HB SER 50 3HB SER 50 -26.604 13.172 -2.590 444 HG SER 50 HG SER 50 -24.670 15.219 -2.095 445 H GLN 51 H GLN 51 -29.120 15.862 -0.073 446 HA GLN 51 HA GLN 51 -29.294 13.816 2.010 447 1HB GLN 51 2HB GLN 51 -31.047 16.247 1.488 448 2HB GLN 51 3HB GLN 51 -31.031 15.214 2.935 449 1HG GLN 51 2HG GLN 51 -28.616 15.814 3.288 450 2HG GLN 51 3HG GLN 51 -28.730 16.936 1.921 451 1HE2 GLN 51 1HE2 GLN 51 -27.969 18.420 3.705 452 2HE2 GLN 51 2HE2 GLN 51 -29.228 19.206 4.664 453 H LYS 52 H LYS 52 -29.610 12.162 0.248 454 HA LYS 52 HA LYS 52 -32.192 11.880 -1.003 455 1HB LYS 52 2HB LYS 52 -30.045 9.829 -0.329 456 2HB LYS 52 3HB LYS 52 -31.461 9.500 -1.321 457 1HG LYS 52 2HG LYS 52 -29.202 11.455 -1.944 458 2HG LYS 52 3HG LYS 52 -29.502 9.902 -2.714 459 1HD LYS 52 2HD LYS 52 -31.152 12.452 -2.953 460 2HD LYS 52 3HD LYS 52 -30.246 11.625 -4.211 461 1HE LYS 52 2HE LYS 52 -32.807 10.622 -2.871 462 2HE LYS 52 3HE LYS 52 -32.632 11.223 -4.517 463 1HZ LYS 52 1HZ LYS 52 -31.333 8.817 -3.455 464 2HZ LYS 52 2HZ LYS 52 -32.688 8.852 -4.388 465 3HZ LYS 52 3HZ LYS 52 -31.243 9.361 -5.011 466 H LYS 53 H LYS 53 -33.479 12.523 0.834 467 HA LYS 53 HA LYS 53 -34.022 10.977 3.093 468 1HB LYS 53 2HB LYS 53 -36.170 12.160 1.288 469 2HB LYS 53 3HB LYS 53 -36.274 11.865 3.024 470 1HG LYS 53 2HG LYS 53 -34.653 14.007 1.585 471 2HG LYS 53 3HG LYS 53 -36.036 14.205 2.655 472 1HD LYS 53 2HD LYS 53 -34.656 13.330 4.572 473 2HD LYS 53 3HD LYS 53 -33.274 13.181 3.469 474 1HE LYS 53 2HE LYS 53 -33.016 15.241 4.685 475 2HE LYS 53 3HE LYS 53 -33.384 15.631 2.998 476 1HZ LYS 53 1HZ LYS 53 -35.640 16.045 3.648 477 2HZ LYS 53 2HZ LYS 53 -35.316 15.639 5.213 478 3HZ LYS 53 3HZ LYS 53 -34.611 16.968 4.542 479 HA PRO 54 HA PRO 54 -34.998 7.036 1.416 480 1HB PRO 54 2HB PRO 54 -36.523 5.887 3.397 481 2HB PRO 54 3HB PRO 54 -34.775 6.213 3.545 482 1HG PRO 54 2HG PRO 54 -37.053 7.960 4.523 483 2HG PRO 54 3HG PRO 54 -35.618 7.416 5.447 484 1HD PRO 54 2HD PRO 54 -35.694 9.847 4.298 485 2HD PRO 54 3HD PRO 54 -34.190 8.877 4.228 486 H GLU 55 H GLU 55 -36.173 7.722 -0.391 487 HA GLU 55 HA GLU 55 -38.742 8.675 -0.563 488 1HB GLU 55 2HB GLU 55 -37.478 6.708 -2.534 489 2HB GLU 55 3HB GLU 55 -38.772 7.864 -2.845 490 1HG GLU 55 2HG GLU 55 -37.083 9.137 -3.645 491 2HG GLU 55 3HG GLU 55 -36.910 9.625 -1.957 Start of MODEL 14 1 1H MET 1 H MET 1 -17.957 8.728 10.154 2 HA MET 1 HA MET 1 -17.350 10.444 8.490 3 1HB MET 1 2HB MET 1 -17.235 12.318 10.058 4 2HB MET 1 3HB MET 1 -15.855 11.594 10.891 5 1HG MET 1 2HG MET 1 -15.223 13.428 9.322 6 2HG MET 1 3HG MET 1 -14.420 11.901 8.984 7 1HE MET 1 1HE MET 1 -18.136 12.901 7.933 8 2HE MET 1 2HE MET 1 -17.201 14.415 7.843 9 3HE MET 1 3HE MET 1 -17.802 13.645 6.355 10 H ALA 2 H ALA 2 -15.263 9.141 11.087 11 HA ALA 2 HA ALA 2 -13.098 8.242 9.443 12 1HB ALA 2 1HB ALA 2 -14.244 6.988 11.969 13 2HB ALA 2 2HB ALA 2 -12.667 6.624 11.229 14 3HB ALA 2 3HB ALA 2 -12.980 8.242 11.885 15 H SER 3 H SER 3 -16.303 6.916 10.175 16 HA SER 3 HA SER 3 -16.302 4.413 8.896 17 1HB SER 3 2HB SER 3 -18.768 5.172 8.514 18 2HB SER 3 3HB SER 3 -18.183 5.089 10.185 19 HG SER 3 HG SER 3 -19.284 7.084 9.637 20 H VAL 4 H VAL 4 -17.472 7.490 7.603 21 HA VAL 4 HA VAL 4 -17.749 6.817 4.917 22 HB VAL 4 HB VAL 4 -16.950 9.495 6.127 23 1HG1 VAL 4 1HG1 VAL 4 -18.068 8.902 3.361 24 2HG1 VAL 4 2HG1 VAL 4 -17.864 10.515 4.087 25 3HG1 VAL 4 3HG1 VAL 4 -16.448 9.536 3.729 26 1HG2 VAL 4 1HG2 VAL 4 -19.665 8.359 5.328 27 2HG2 VAL 4 2HG2 VAL 4 -19.102 8.624 6.991 28 3HG2 VAL 4 3HG2 VAL 4 -19.361 10.005 5.922 29 H LEU 5 H LEU 5 -14.828 8.274 6.438 30 HA LEU 5 HA LEU 5 -13.233 8.320 4.112 31 1HB LEU 5 2HB LEU 5 -12.476 8.010 7.039 32 2HB LEU 5 3HB LEU 5 -11.300 8.311 5.759 33 HG LEU 5 HG LEU 5 -13.662 10.185 6.259 34 1HD1 LEU 5 1HD1 LEU 5 -12.087 11.627 7.487 35 2HD1 LEU 5 2HD1 LEU 5 -12.326 10.084 8.317 36 3HD1 LEU 5 3HD1 LEU 5 -10.839 10.364 7.385 37 1HD2 LEU 5 1HD2 LEU 5 -12.591 10.438 4.050 38 2HD2 LEU 5 2HD2 LEU 5 -12.220 11.813 5.093 39 3HD2 LEU 5 3HD2 LEU 5 -10.997 10.552 4.832 40 H GLU 6 H GLU 6 -13.486 5.695 6.581 41 HA GLU 6 HA GLU 6 -11.688 3.934 5.229 42 1HB GLU 6 2HB GLU 6 -13.989 3.424 7.158 43 2HB GLU 6 3HB GLU 6 -12.927 2.145 6.553 44 1HG GLU 6 2HG GLU 6 -11.915 4.609 8.050 45 2HG GLU 6 3HG GLU 6 -12.243 3.040 8.791 46 H GLU 7 H GLU 7 -15.244 4.335 4.910 47 HA GLU 7 HA GLU 7 -15.651 2.186 3.083 48 1HB GLU 7 2HB GLU 7 -17.109 4.841 3.391 49 2HB GLU 7 3HB GLU 7 -17.664 3.522 2.360 50 1HG GLU 7 2HG GLU 7 -17.995 2.050 4.218 51 2HG GLU 7 3HG GLU 7 -17.127 3.107 5.330 52 H LEU 8 H LEU 8 -14.901 5.648 2.450 53 HA LEU 8 HA LEU 8 -14.762 5.399 -0.394 54 1HB LEU 8 2HB LEU 8 -13.360 7.331 1.484 55 2HB LEU 8 3HB LEU 8 -13.442 7.535 -0.269 56 HG LEU 8 HG LEU 8 -15.926 7.417 1.502 57 1HD1 LEU 8 1HD1 LEU 8 -14.346 9.784 0.440 58 2HD1 LEU 8 2HD1 LEU 8 -15.942 9.894 1.217 59 3HD1 LEU 8 3HD1 LEU 8 -14.537 9.328 2.142 60 1HD2 LEU 8 1HD2 LEU 8 -17.049 8.448 -0.401 61 2HD2 LEU 8 2HD2 LEU 8 -15.556 8.399 -1.348 62 3HD2 LEU 8 3HD2 LEU 8 -16.370 6.889 -0.877 63 H GLN 9 H GLN 9 -12.214 5.070 2.129 64 HA GLN 9 HA GLN 9 -10.056 4.574 0.392 65 1HB GLN 9 2HB GLN 9 -10.020 4.937 2.905 66 2HB GLN 9 3HB GLN 9 -10.434 3.233 3.107 67 1HG GLN 9 2HG GLN 9 -7.995 4.329 1.631 68 2HG GLN 9 3HG GLN 9 -7.996 3.768 3.306 69 1HE2 GLN 9 1HE2 GLN 9 -6.453 2.773 0.912 70 2HE2 GLN 9 2HE2 GLN 9 -6.828 1.061 0.838 71 H LYS 10 H LYS 10 -12.332 2.208 1.887 72 HA LYS 10 HA LYS 10 -11.295 -0.105 0.679 73 1HB LYS 10 2HB LYS 10 -12.866 -0.149 2.504 74 2HB LYS 10 3HB LYS 10 -14.153 0.554 1.526 75 1HG LYS 10 2HG LYS 10 -12.847 -2.027 0.621 76 2HG LYS 10 3HG LYS 10 -13.974 -2.055 1.982 77 1HD LYS 10 2HD LYS 10 -15.739 -1.000 0.631 78 2HD LYS 10 3HD LYS 10 -14.701 -0.993 -0.799 79 1HE LYS 10 2HE LYS 10 -15.503 -3.512 0.721 80 2HE LYS 10 3HE LYS 10 -16.324 -2.896 -0.722 81 1HZ LYS 10 1HZ LYS 10 -14.714 -4.584 -1.227 82 2HZ LYS 10 2HZ LYS 10 -14.358 -3.162 -1.966 83 3HZ LYS 10 3HZ LYS 10 -13.490 -3.646 -0.645 84 H ASP 11 H ASP 11 -13.856 2.127 -0.512 85 HA ASP 11 HA ASP 11 -14.392 0.770 -2.932 86 1HB ASP 11 2HB ASP 11 -15.705 2.703 -1.994 87 2HB ASP 11 3HB ASP 11 -14.416 3.783 -2.526 88 H LEU 12 H LEU 12 -11.918 3.302 -2.233 89 HA LEU 12 HA LEU 12 -10.847 3.380 -4.854 90 1HB LEU 12 2HB LEU 12 -10.425 5.026 -2.944 91 2HB LEU 12 3HB LEU 12 -9.321 3.826 -2.268 92 HG LEU 12 HG LEU 12 -8.146 3.893 -4.615 93 1HD1 LEU 12 1HD1 LEU 12 -8.361 6.045 -5.794 94 2HD1 LEU 12 2HD1 LEU 12 -9.919 5.207 -5.795 95 3HD1 LEU 12 3HD1 LEU 12 -9.642 6.556 -4.677 96 1HD2 LEU 12 1HD2 LEU 12 -6.784 5.807 -3.899 97 2HD2 LEU 12 2HD2 LEU 12 -8.037 6.266 -2.721 98 3HD2 LEU 12 3HD2 LEU 12 -7.160 4.728 -2.543 99 H GLU 13 H GLU 13 -9.947 1.366 -2.007 100 HA GLU 13 HA GLU 13 -7.786 -0.007 -3.160 101 1HB GLU 13 2HB GLU 13 -8.795 -0.061 -0.725 102 2HB GLU 13 3HB GLU 13 -9.808 -1.368 -1.340 103 1HG GLU 13 2HG GLU 13 -7.905 -2.381 -0.320 104 2HG GLU 13 3HG GLU 13 -7.656 -2.549 -2.063 105 H GLU 14 H GLU 14 -11.279 -0.768 -3.226 106 HA GLU 14 HA GLU 14 -11.136 -3.042 -4.912 107 1HB GLU 14 2HB GLU 14 -13.112 -2.195 -3.562 108 2HB GLU 14 3HB GLU 14 -13.411 -1.017 -4.850 109 1HG GLU 14 2HG GLU 14 -13.657 -2.862 -6.489 110 2HG GLU 14 3HG GLU 14 -13.324 -4.046 -5.213 111 H VAL 15 H VAL 15 -11.348 0.491 -5.725 112 HA VAL 15 HA VAL 15 -11.542 -0.030 -8.496 113 HB VAL 15 HB VAL 15 -11.785 2.276 -7.091 114 1HG1 VAL 15 1HG1 VAL 15 -9.266 2.687 -8.788 115 2HG1 VAL 15 2HG1 VAL 15 -10.208 3.927 -7.954 116 3HG1 VAL 15 3HG1 VAL 15 -9.283 2.762 -7.021 117 1HG2 VAL 15 1HG2 VAL 15 -12.824 1.751 -9.232 118 2HG2 VAL 15 2HG2 VAL 15 -11.976 3.298 -9.395 119 3HG2 VAL 15 3HG2 VAL 15 -11.241 1.828 -10.046 120 H LYS 16 H LYS 16 -8.658 0.394 -6.416 121 HA LYS 16 HA LYS 16 -6.678 0.270 -8.450 122 1HB LYS 16 2HB LYS 16 -6.563 -0.978 -5.684 123 2HB LYS 16 3HB LYS 16 -5.197 -0.761 -6.778 124 1HG LYS 16 2HG LYS 16 -5.460 1.679 -6.720 125 2HG LYS 16 3HG LYS 16 -6.901 1.523 -5.703 126 1HD LYS 16 2HD LYS 16 -5.489 0.294 -3.999 127 2HD LYS 16 3HD LYS 16 -4.061 0.692 -4.968 128 1HE LYS 16 2HE LYS 16 -4.567 3.118 -4.691 129 2HE LYS 16 3HE LYS 16 -6.021 2.706 -3.757 130 1HZ LYS 16 1HZ LYS 16 -4.196 3.239 -2.339 131 2HZ LYS 16 2HZ LYS 16 -4.622 1.659 -2.138 132 3HZ LYS 16 3HZ LYS 16 -3.267 2.045 -2.992 133 H VAL 17 H VAL 17 -8.251 -2.435 -6.680 134 HA VAL 17 HA VAL 17 -7.056 -4.532 -8.154 135 HB VAL 17 HB VAL 17 -9.788 -4.431 -6.813 136 1HG1 VAL 17 1HG1 VAL 17 -9.761 -6.285 -8.424 137 2HG1 VAL 17 2HG1 VAL 17 -8.161 -6.793 -7.831 138 3HG1 VAL 17 3HG1 VAL 17 -9.592 -6.917 -6.782 139 1HG2 VAL 17 1HG2 VAL 17 -8.622 -5.612 -4.989 140 2HG2 VAL 17 2HG2 VAL 17 -7.097 -5.549 -5.896 141 3HG2 VAL 17 3HG2 VAL 17 -7.834 -4.060 -5.286 142 H LEU 18 H LEU 18 -10.119 -2.736 -8.873 143 HA LEU 18 HA LEU 18 -10.630 -4.126 -11.317 144 1HB LEU 18 2HB LEU 18 -11.317 -1.264 -10.528 145 2HB LEU 18 3HB LEU 18 -11.735 -1.983 -12.075 146 HG LEU 18 HG LEU 18 -12.793 -2.846 -9.371 147 1HD1 LEU 18 1HD1 LEU 18 -14.923 -2.098 -10.404 148 2HD1 LEU 18 2HD1 LEU 18 -13.735 -0.782 -10.431 149 3HD1 LEU 18 3HD1 LEU 18 -14.070 -1.706 -11.913 150 1HD2 LEU 18 1HD2 LEU 18 -14.253 -4.388 -10.771 151 2HD2 LEU 18 2HD2 LEU 18 -13.160 -4.097 -12.139 152 3HD2 LEU 18 3HD2 LEU 18 -12.573 -4.906 -10.662 153 H LEU 19 H LEU 19 -8.540 -1.228 -10.748 154 HA LEU 19 HA LEU 19 -8.044 -0.749 -13.507 155 1HB LEU 19 2HB LEU 19 -5.959 -0.356 -11.325 156 2HB LEU 19 3HB LEU 19 -6.071 0.417 -12.896 157 HG LEU 19 HG LEU 19 -7.574 0.994 -10.373 158 1HD1 LEU 19 1HD1 LEU 19 -6.839 3.258 -10.860 159 2HD1 LEU 19 2HD1 LEU 19 -5.468 2.137 -10.925 160 3HD1 LEU 19 3HD1 LEU 19 -6.196 2.739 -12.433 161 1HD2 LEU 19 1HD2 LEU 19 -9.387 0.826 -12.119 162 2HD2 LEU 19 2HD2 LEU 19 -9.147 2.454 -11.477 163 3HD2 LEU 19 3HD2 LEU 19 -8.490 2.038 -13.062 164 H GLU 20 H GLU 20 -6.296 -2.734 -11.110 165 HA GLU 20 HA GLU 20 -4.241 -3.721 -12.771 166 1HB GLU 20 2HB GLU 20 -5.678 -5.012 -10.413 167 2HB GLU 20 3HB GLU 20 -4.205 -5.656 -11.146 168 1HG GLU 20 2HG GLU 20 -2.922 -3.722 -10.519 169 2HG GLU 20 3HG GLU 20 -4.357 -2.814 -10.042 170 H LYS 21 H LYS 21 -7.397 -5.320 -12.008 171 HA LYS 21 HA LYS 21 -6.961 -7.485 -13.833 172 1HB LYS 21 2HB LYS 21 -9.505 -6.336 -12.607 173 2HB LYS 21 3HB LYS 21 -9.459 -7.787 -13.624 174 1HG LYS 21 2HG LYS 21 -7.834 -8.837 -12.071 175 2HG LYS 21 3HG LYS 21 -7.955 -7.426 -10.996 176 1HD LYS 21 2HD LYS 21 -10.301 -7.868 -10.560 177 2HD LYS 21 3HD LYS 21 -10.386 -9.057 -11.868 178 1HE LYS 21 2HE LYS 21 -10.322 -10.205 -9.714 179 2HE LYS 21 3HE LYS 21 -8.883 -10.584 -10.671 180 1HZ LYS 21 1HZ LYS 21 -8.340 -10.129 -8.406 181 2HZ LYS 21 2HZ LYS 21 -7.681 -8.968 -9.372 182 3HZ LYS 21 3HZ LYS 21 -9.029 -8.635 -8.483 183 H SER 22 H SER 22 -8.734 -4.416 -14.242 184 HA SER 22 HA SER 22 -9.626 -5.140 -16.930 185 1HB SER 22 2HB SER 22 -9.942 -2.441 -15.575 186 2HB SER 22 3HB SER 22 -10.956 -3.204 -16.818 187 HG SER 22 HG SER 22 -10.674 -3.884 -14.096 188 H THR 23 H THR 23 -6.958 -5.319 -17.088 189 HA THR 23 HA THR 23 -5.488 -2.985 -17.328 190 HB THR 23 HB THR 23 -4.726 -5.384 -18.965 191 HG1 THR 23 HG1 THR 23 -4.993 -5.485 -16.129 192 1HG2 THR 23 1HG2 THR 23 -3.105 -3.547 -18.508 193 2HG2 THR 23 2HG2 THR 23 -3.293 -3.828 -16.761 194 3HG2 THR 23 3HG2 THR 23 -2.588 -5.089 -17.795 195 H ARG 24 H ARG 24 -7.682 -4.371 -19.655 196 HA ARG 24 HA ARG 24 -6.468 -3.114 -21.987 197 1HB ARG 24 2HB ARG 24 -9.235 -4.337 -21.601 198 2HB ARG 24 3HB ARG 24 -8.501 -3.905 -23.148 199 1HG ARG 24 2HG ARG 24 -7.468 -6.050 -21.222 200 2HG ARG 24 3HG ARG 24 -8.412 -6.318 -22.689 201 1HD ARG 24 2HD ARG 24 -6.586 -5.249 -24.031 202 2HD ARG 24 3HD ARG 24 -5.598 -5.161 -22.548 203 HE ARG 24 HE ARG 24 -6.494 -7.813 -22.807 204 1HH1 ARG 24 1HH2 ARG 24 -4.367 -5.563 -24.500 205 2HH1 ARG 24 2HH2 ARG 24 -3.361 -6.804 -25.196 206 1HH2 ARG 24 1HH1 ARG 24 -5.189 -9.456 -23.703 207 2HH2 ARG 24 2HH1 ARG 24 -3.833 -9.058 -24.721 208 H LYS 25 H LYS 25 -6.302 -1.053 -20.888 209 HA LYS 25 HA LYS 25 -6.632 1.108 -20.858 210 1HB LYS 25 2HB LYS 25 -7.873 2.265 -22.475 211 2HB LYS 25 3HB LYS 25 -7.034 0.901 -23.213 212 1HG LYS 25 2HG LYS 25 -9.095 -0.311 -23.517 213 2HG LYS 25 3HG LYS 25 -9.987 0.818 -22.470 214 1HD LYS 25 2HD LYS 25 -9.573 2.641 -24.122 215 2HD LYS 25 3HD LYS 25 -8.660 1.509 -25.133 216 1HE LYS 25 2HE LYS 25 -10.916 1.762 -26.018 217 2HE LYS 25 3HE LYS 25 -10.702 0.111 -25.416 218 1HZ LYS 25 1HZ LYS 25 -12.030 2.300 -23.968 219 2HZ LYS 25 2HZ LYS 25 -12.792 1.074 -24.762 220 3HZ LYS 25 3HZ LYS 25 -11.873 0.749 -23.436 221 H ARG 26 H ARG 26 -9.666 -0.561 -20.242 222 HA ARG 26 HA ARG 26 -11.370 1.205 -19.175 223 1HB ARG 26 2HB ARG 26 -10.454 -1.522 -18.284 224 2HB ARG 26 3HB ARG 26 -11.496 -0.643 -17.182 225 1HG ARG 26 2HG ARG 26 -12.173 -1.596 -19.975 226 2HG ARG 26 3HG ARG 26 -12.848 -2.100 -18.412 227 1HD ARG 26 2HD ARG 26 -13.339 0.520 -19.870 228 2HD ARG 26 3HD ARG 26 -14.491 -0.748 -19.444 229 HE ARG 26 HE ARG 26 -13.331 0.149 -17.030 230 1HH1 ARG 26 1HH2 ARG 26 -15.514 1.344 -19.542 231 2HH1 ARG 26 2HH2 ARG 26 -16.297 2.494 -18.489 232 1HH2 ARG 26 2HH1 ARG 26 -14.232 1.663 -15.711 233 2HH2 ARG 26 1HH1 ARG 26 -15.605 2.634 -16.217 234 H LEU 27 H LEU 27 -8.384 0.242 -17.518 235 HA LEU 27 HA LEU 27 -8.556 1.243 -15.069 236 1HB LEU 27 2HB LEU 27 -6.176 2.253 -16.647 237 2HB LEU 27 3HB LEU 27 -6.296 1.704 -14.991 238 HG LEU 27 HG LEU 27 -6.841 -0.634 -16.023 239 1HD1 LEU 27 1HD1 LEU 27 -5.944 0.983 -18.421 240 2HD1 LEU 27 2HD1 LEU 27 -5.147 -0.567 -18.217 241 3HD1 LEU 27 3HD1 LEU 27 -6.897 -0.512 -18.380 242 1HD2 LEU 27 1HD2 LEU 27 -4.776 -0.087 -14.764 243 2HD2 LEU 27 2HD2 LEU 27 -4.433 -1.153 -16.131 244 3HD2 LEU 27 3HD2 LEU 27 -4.050 0.579 -16.245 245 H ARG 28 H ARG 28 -8.034 3.309 -17.944 246 HA ARG 28 HA ARG 28 -7.783 5.804 -16.586 247 1HB ARG 28 2HB ARG 28 -7.015 5.567 -18.826 248 2HB ARG 28 3HB ARG 28 -8.570 4.979 -19.407 249 1HG ARG 28 2HG ARG 28 -7.969 7.300 -20.106 250 2HG ARG 28 3HG ARG 28 -9.560 7.123 -19.371 251 1HD ARG 28 2HD ARG 28 -8.273 9.171 -18.655 252 2HD ARG 28 3HD ARG 28 -8.872 8.151 -17.357 253 HE ARG 28 HE ARG 28 -6.113 7.649 -18.263 254 1HH1 ARG 28 1HH2 ARG 28 -8.182 9.271 -15.809 255 2HH1 ARG 28 2HH2 ARG 28 -6.841 9.552 -14.746 256 1HH2 ARG 28 2HH1 ARG 28 -4.428 7.992 -16.796 257 2HH2 ARG 28 1HH1 ARG 28 -4.711 8.794 -15.276 258 H ASP 29 H ASP 29 -10.574 4.479 -18.371 259 HA ASP 29 HA ASP 29 -12.486 6.414 -17.760 260 1HB ASP 29 2HB ASP 29 -12.909 3.402 -18.099 261 2HB ASP 29 3HB ASP 29 -14.137 4.654 -18.298 262 H THR 30 H THR 30 -11.884 3.331 -16.141 263 HA THR 30 HA THR 30 -13.816 3.460 -14.112 264 HB THR 30 HB THR 30 -11.100 2.068 -13.997 265 HG1 THR 30 HG1 THR 30 -12.027 1.471 -15.878 266 1HG2 THR 30 1HG2 THR 30 -12.216 0.419 -12.651 267 2HG2 THR 30 2HG2 THR 30 -12.499 2.004 -11.902 268 3HG2 THR 30 3HG2 THR 30 -13.790 1.228 -12.839 269 H LEU 31 H LEU 31 -10.285 4.242 -13.891 270 HA LEU 31 HA LEU 31 -10.316 5.079 -11.218 271 1HB LEU 31 2HB LEU 31 -8.308 4.557 -12.517 272 2HB LEU 31 3HB LEU 31 -8.535 5.974 -13.536 273 HG LEU 31 HG LEU 31 -6.767 6.063 -11.754 274 1HD1 LEU 31 1HD1 LEU 31 -7.002 8.366 -11.266 275 2HD1 LEU 31 2HD1 LEU 31 -7.704 8.103 -12.868 276 3HD1 LEU 31 3HD1 LEU 31 -8.755 8.340 -11.455 277 1HD2 LEU 31 1HD2 LEU 31 -9.047 6.502 -9.785 278 2HD2 LEU 31 2HD2 LEU 31 -8.119 4.995 -9.926 279 3HD2 LEU 31 3HD2 LEU 31 -7.305 6.496 -9.458 280 H THR 32 H THR 32 -10.646 7.034 -14.230 281 HA THR 32 HA THR 32 -10.770 9.511 -12.849 282 HB THR 32 HB THR 32 -11.966 8.896 -15.581 283 HG1 THR 32 HG1 THR 32 -9.883 8.158 -15.498 284 1HG2 THR 32 1HG2 THR 32 -11.323 11.240 -16.051 285 2HG2 THR 32 2HG2 THR 32 -12.479 11.177 -14.708 286 3HG2 THR 32 3HG2 THR 32 -10.750 11.433 -14.383 287 H SER 33 H SER 33 -13.438 7.447 -14.132 288 HA SER 33 HA SER 33 -15.557 9.157 -13.304 289 1HB SER 33 2HB SER 33 -16.973 7.120 -13.487 290 2HB SER 33 3HB SER 33 -15.949 7.390 -14.908 291 HG SER 33 HG SER 33 -14.530 5.807 -14.132 292 H GLU 34 H GLU 34 -14.177 6.254 -11.675 293 HA GLU 34 HA GLU 34 -15.764 6.463 -9.379 294 1HB GLU 34 2HB GLU 34 -14.311 4.501 -10.057 295 2HB GLU 34 3HB GLU 34 -12.907 5.412 -9.474 296 1HG GLU 34 2HG GLU 34 -13.670 3.847 -7.742 297 2HG GLU 34 3HG GLU 34 -13.978 5.489 -7.186 298 H LYS 35 H LYS 35 -12.431 7.752 -9.886 299 HA LYS 35 HA LYS 35 -12.060 9.046 -7.453 300 1HB LYS 35 2HB LYS 35 -10.334 8.835 -9.148 301 2HB LYS 35 3HB LYS 35 -11.196 9.936 -10.231 302 1HG LYS 35 2HG LYS 35 -10.926 11.790 -8.721 303 2HG LYS 35 3HG LYS 35 -10.223 10.777 -7.457 304 1HD LYS 35 2HD LYS 35 -8.894 10.889 -10.185 305 2HD LYS 35 3HD LYS 35 -8.760 12.283 -9.110 306 1HE LYS 35 2HE LYS 35 -6.826 10.818 -8.833 307 2HE LYS 35 3HE LYS 35 -7.760 10.951 -7.336 308 1HZ LYS 35 1HZ LYS 35 -7.908 8.715 -9.235 309 2HZ LYS 35 2HZ LYS 35 -7.081 8.708 -7.808 310 3HZ LYS 35 3HZ LYS 35 -8.724 8.832 -7.809 311 H SER 36 H SER 36 -13.726 10.329 -10.390 312 HA SER 36 HA SER 36 -14.344 12.873 -9.321 313 1HB SER 36 2HB SER 36 -16.034 11.245 -11.270 314 2HB SER 36 3HB SER 36 -16.107 12.992 -10.991 315 HG SER 36 HG SER 36 -13.870 11.523 -11.966 316 H LYS 37 H LYS 37 -16.359 9.866 -9.234 317 HA LYS 37 HA LYS 37 -18.453 10.943 -7.641 318 1HB LYS 37 2HB LYS 37 -17.393 8.092 -7.814 319 2HB LYS 37 3HB LYS 37 -18.887 8.548 -7.016 320 1HG LYS 37 2HG LYS 37 -18.242 8.854 -9.983 321 2HG LYS 37 3HG LYS 37 -19.301 7.656 -9.252 322 1HD LYS 37 2HD LYS 37 -19.789 10.669 -9.412 323 2HD LYS 37 3HD LYS 37 -20.614 9.393 -10.302 324 1HE LYS 37 2HE LYS 37 -21.486 8.458 -8.140 325 2HE LYS 37 3HE LYS 37 -20.748 9.823 -7.278 326 1HZ LYS 37 1HZ LYS 37 -23.027 10.223 -7.740 327 2HZ LYS 37 2HZ LYS 37 -22.092 11.300 -8.564 328 3HZ LYS 37 3HZ LYS 37 -22.795 10.040 -9.361 329 H ILE 38 H ILE 38 -15.556 9.123 -6.582 330 HA ILE 38 HA ILE 38 -15.965 9.175 -3.825 331 HB ILE 38 HB ILE 38 -13.424 9.335 -5.484 332 1HG1 ILE 38 2HG1 ILE 38 -14.867 7.262 -5.681 333 2HG1 ILE 38 3HG1 ILE 38 -13.190 7.008 -5.190 334 1HG2 ILE 38 1HG2 ILE 38 -12.725 10.191 -3.367 335 2HG2 ILE 38 2HG2 ILE 38 -13.629 8.950 -2.483 336 3HG2 ILE 38 3HG2 ILE 38 -12.209 8.504 -3.451 337 1HD1 ILE 38 1HD1 ILE 38 -13.923 6.676 -2.855 338 2HD1 ILE 38 2HD1 ILE 38 -15.612 7.007 -3.340 339 3HD1 ILE 38 3HD1 ILE 38 -14.760 5.603 -3.979 340 H GLU 39 H GLU 39 -14.194 11.626 -5.779 341 HA GLU 39 HA GLU 39 -13.694 13.411 -3.624 342 1HB GLU 39 2HB GLU 39 -13.925 13.812 -6.627 343 2HB GLU 39 3HB GLU 39 -13.429 15.100 -5.514 344 1HG GLU 39 2HG GLU 39 -11.522 13.811 -4.731 345 2HG GLU 39 3HG GLU 39 -12.009 12.398 -5.670 346 H THR 40 H THR 40 -16.382 13.320 -5.994 347 HA THR 40 HA THR 40 -17.754 15.635 -5.144 348 HB THR 40 HB THR 40 -18.847 13.028 -6.300 349 HG1 THR 40 HG1 THR 40 -17.310 14.018 -7.609 350 1HG2 THR 40 1HG2 THR 40 -20.701 14.371 -5.402 351 2HG2 THR 40 2HG2 THR 40 -20.084 15.804 -6.268 352 3HG2 THR 40 3HG2 THR 40 -20.670 14.390 -7.174 353 H GLU 41 H GLU 41 -18.186 12.240 -4.067 354 HA GLU 41 HA GLU 41 -20.192 12.736 -2.104 355 1HB GLU 41 2HB GLU 41 -18.114 10.526 -2.440 356 2HB GLU 41 3HB GLU 41 -19.368 10.504 -1.193 357 1HG GLU 41 2HG GLU 41 -21.138 10.555 -2.880 358 2HG GLU 41 3HG GLU 41 -19.956 10.713 -4.184 359 H LEU 42 H LEU 42 -16.643 12.276 -1.745 360 HA LEU 42 HA LEU 42 -16.415 12.686 0.990 361 1HB LEU 42 2HB LEU 42 -14.605 11.880 -0.390 362 2HB LEU 42 3HB LEU 42 -14.543 13.375 -1.306 363 HG LEU 42 HG LEU 42 -13.728 14.606 0.657 364 1HD1 LEU 42 1HD1 LEU 42 -14.765 13.314 2.499 365 2HD1 LEU 42 2HD1 LEU 42 -13.800 11.889 2.056 366 3HD1 LEU 42 3HD1 LEU 42 -13.009 13.345 2.689 367 1HD2 LEU 42 1HD2 LEU 42 -11.505 13.569 0.761 368 2HD2 LEU 42 2HD2 LEU 42 -12.160 12.062 0.083 369 3HD2 LEU 42 3HD2 LEU 42 -12.140 13.545 -0.894 370 H LYS 43 H LYS 43 -16.259 15.184 -1.604 371 HA LYS 43 HA LYS 43 -16.011 17.442 0.072 372 1HB LYS 43 2HB LYS 43 -15.727 17.437 -2.372 373 2HB LYS 43 3HB LYS 43 -17.455 17.212 -2.617 374 1HG LYS 43 2HG LYS 43 -16.223 19.601 -1.168 375 2HG LYS 43 3HG LYS 43 -16.543 19.550 -2.900 376 1HD LYS 43 2HD LYS 43 -18.976 19.226 -2.470 377 2HD LYS 43 3HD LYS 43 -18.688 19.395 -0.729 378 1HE LYS 43 2HE LYS 43 -17.694 21.613 -1.069 379 2HE LYS 43 3HE LYS 43 -18.141 21.531 -2.787 380 1HZ LYS 43 1HZ LYS 43 -19.779 22.670 -1.463 381 2HZ LYS 43 2HZ LYS 43 -20.424 21.289 -2.091 382 3HZ LYS 43 3HZ LYS 43 -19.990 21.347 -0.501 383 H ASN 44 H ASN 44 -19.029 16.127 -1.410 384 HA ASN 44 HA ASN 44 -20.712 18.014 -0.147 385 1HB ASN 44 2HB ASN 44 -21.259 15.308 -1.404 386 2HB ASN 44 3HB ASN 44 -22.537 16.225 -0.601 387 1HD2 ASN 44 1HD2 ASN 44 -20.124 16.468 -3.243 388 2HD2 ASN 44 2HD2 ASN 44 -21.035 17.677 -4.144 389 H LYS 45 H LYS 45 -19.658 14.826 1.053 390 HA LYS 45 HA LYS 45 -21.483 14.796 3.274 391 1HB LYS 45 2HB LYS 45 -18.857 13.369 2.740 392 2HB LYS 45 3HB LYS 45 -19.860 13.080 4.176 393 1HG LYS 45 2HG LYS 45 -21.768 12.432 2.814 394 2HG LYS 45 3HG LYS 45 -20.899 12.806 1.318 395 1HD LYS 45 2HD LYS 45 -19.197 11.076 1.871 396 2HD LYS 45 3HD LYS 45 -20.116 10.647 3.326 397 1HE LYS 45 2HE LYS 45 -21.193 10.482 0.467 398 2HE LYS 45 3HE LYS 45 -20.536 9.118 1.384 399 1HZ LYS 45 1HZ LYS 45 -22.895 9.181 1.512 400 2HZ LYS 45 2HZ LYS 45 -22.256 9.453 3.007 401 3HZ LYS 45 3HZ LYS 45 -22.885 10.705 2.137 402 H MET 46 H MET 46 -18.336 16.417 2.807 403 HA MET 46 HA MET 46 -18.216 17.065 5.729 404 1HB MET 46 2HB MET 46 -16.281 17.601 3.442 405 2HB MET 46 3HB MET 46 -16.054 18.102 5.129 406 1HG MET 46 2HG MET 46 -16.217 15.681 5.798 407 2HG MET 46 3HG MET 46 -16.236 15.252 4.085 408 1HE MET 46 1HE MET 46 -14.259 15.999 2.436 409 2HE MET 46 2HE MET 46 -13.989 17.626 3.108 410 3HE MET 46 3HE MET 46 -12.636 16.481 2.990 411 H GLN 47 H GLN 47 -17.871 18.771 2.634 412 HA GLN 47 HA GLN 47 -18.756 21.348 3.805 413 1HB GLN 47 2HB GLN 47 -17.623 20.509 1.115 414 2HB GLN 47 3HB GLN 47 -18.146 22.163 1.492 415 1HG GLN 47 2HG GLN 47 -16.496 22.399 3.227 416 2HG GLN 47 3HG GLN 47 -16.061 20.687 3.166 417 1HE2 GLN 47 1HE2 GLN 47 -15.207 19.859 1.021 418 2HE2 GLN 47 2HE2 GLN 47 -14.139 20.951 0.148 419 H GLN 48 H GLN 48 -20.785 20.167 4.279 420 HA GLN 48 HA GLN 48 -22.665 19.347 2.344 421 1HB GLN 48 2HB GLN 48 -23.208 20.780 4.986 422 2HB GLN 48 3HB GLN 48 -24.367 19.821 4.050 423 1HG GLN 48 2HG GLN 48 -22.768 17.847 4.285 424 2HG GLN 48 3HG GLN 48 -21.851 18.805 5.450 425 1HE2 GLN 48 1HE2 GLN 48 -23.713 20.000 7.154 426 2HE2 GLN 48 2HE2 GLN 48 -24.569 18.677 7.906 427 H LYS 49 H LYS 49 -24.328 20.417 1.205 428 HA LYS 49 HA LYS 49 -23.682 23.179 0.449 429 1HB LYS 49 2HB LYS 49 -25.857 21.316 -0.541 430 2HB LYS 49 3HB LYS 49 -25.381 22.861 -1.262 431 1HG LYS 49 2HG LYS 49 -23.070 21.973 -1.589 432 2HG LYS 49 3HG LYS 49 -23.591 20.387 -1.015 433 1HD LYS 49 2HD LYS 49 -24.699 21.838 -3.461 434 2HD LYS 49 3HD LYS 49 -23.522 20.511 -3.465 435 1HE LYS 49 2HE LYS 49 -25.222 19.040 -2.340 436 2HE LYS 49 3HE LYS 49 -26.421 20.340 -2.520 437 1HZ LYS 49 1HZ LYS 49 -24.992 19.002 -4.699 438 2HZ LYS 49 2HZ LYS 49 -26.566 18.765 -4.275 439 3HZ LYS 49 3HZ LYS 49 -26.088 20.222 -4.880 440 H SER 50 H SER 50 -24.176 23.364 2.963 441 HA SER 50 HA SER 50 -25.737 25.377 3.564 442 1HB SER 50 2HB SER 50 -27.854 24.130 2.938 443 2HB SER 50 3HB SER 50 -27.445 22.905 4.159 444 HG SER 50 HG SER 50 -28.449 24.280 5.470 445 H GLN 51 H GLN 51 -26.479 24.874 6.153 446 HA GLN 51 HA GLN 51 -23.956 24.073 7.422 447 1HB GLN 51 2HB GLN 51 -24.857 24.590 9.520 448 2HB GLN 51 3HB GLN 51 -25.271 25.879 8.394 449 1HG GLN 51 2HG GLN 51 -27.147 23.746 9.508 450 2HG GLN 51 3HG GLN 51 -27.106 25.451 9.935 451 1HE2 GLN 51 1HE2 GLN 51 -27.631 27.067 8.176 452 2HE2 GLN 51 2HE2 GLN 51 -28.692 26.545 6.879 453 H LYS 52 H LYS 52 -27.283 22.685 7.373 454 HA LYS 52 HA LYS 52 -26.199 20.084 8.281 455 1HB LYS 52 2HB LYS 52 -28.406 19.361 8.572 456 2HB LYS 52 3HB LYS 52 -28.274 20.954 9.315 457 1HG LYS 52 2HG LYS 52 -29.505 21.980 7.476 458 2HG LYS 52 3HG LYS 52 -29.417 20.501 6.524 459 1HD LYS 52 2HD LYS 52 -30.748 19.338 8.373 460 2HD LYS 52 3HD LYS 52 -30.969 20.942 9.093 461 1HE LYS 52 2HE LYS 52 -32.913 20.477 7.745 462 2HE LYS 52 3HE LYS 52 -31.970 21.696 6.872 463 1HZ LYS 52 1HZ LYS 52 -31.067 19.851 5.540 464 2HZ LYS 52 2HZ LYS 52 -32.044 18.799 6.349 465 3HZ LYS 52 3HZ LYS 52 -32.707 19.982 5.417 466 H LYS 53 H LYS 53 -27.370 18.187 7.026 467 HA LYS 53 HA LYS 53 -26.363 17.960 4.435 468 1HB LYS 53 2HB LYS 53 -27.005 16.104 5.916 469 2HB LYS 53 3HB LYS 53 -28.711 16.555 5.777 470 1HG LYS 53 2HG LYS 53 -28.624 16.030 3.329 471 2HG LYS 53 3HG LYS 53 -26.911 15.576 3.515 472 1HD LYS 53 2HD LYS 53 -27.531 13.806 5.108 473 2HD LYS 53 3HD LYS 53 -29.239 14.278 5.004 474 1HE LYS 53 2HE LYS 53 -29.244 13.728 2.573 475 2HE LYS 53 3HE LYS 53 -27.538 13.249 2.681 476 1HZ LYS 53 1HZ LYS 53 -28.999 11.379 2.810 477 2HZ LYS 53 2HZ LYS 53 -28.180 11.551 4.229 478 3HZ LYS 53 3HZ LYS 53 -29.764 11.997 4.131 479 HA PRO 54 HA PRO 54 -29.495 20.418 2.272 480 1HB PRO 54 2HB PRO 54 -28.810 19.967 -0.317 481 2HB PRO 54 3HB PRO 54 -27.756 20.859 0.809 482 1HG PRO 54 2HG PRO 54 -27.598 17.901 0.130 483 2HG PRO 54 3HG PRO 54 -26.275 19.095 0.027 484 1HD PRO 54 2HD PRO 54 -26.575 17.529 2.198 485 2HD PRO 54 3HD PRO 54 -26.117 19.247 2.392 486 H GLU 55 H GLU 55 -30.848 18.580 3.406 487 HA GLU 55 HA GLU 55 -31.804 16.364 1.871 488 1HB GLU 55 2HB GLU 55 -33.120 17.900 4.154 489 2HB GLU 55 3HB GLU 55 -33.652 16.331 3.540 490 1HG GLU 55 2HG GLU 55 -31.497 15.306 4.147 491 2HG GLU 55 3HG GLU 55 -30.885 16.859 4.729 Start of MODEL 15 1 1H MET 1 H MET 1 -18.389 11.226 11.038 2 HA MET 1 HA MET 1 -18.453 10.066 8.835 3 1HB MET 1 2HB MET 1 -17.028 11.604 7.638 4 2HB MET 1 3HB MET 1 -17.822 12.448 8.976 5 1HG MET 1 2HG MET 1 -15.685 12.069 10.331 6 2HG MET 1 3HG MET 1 -14.927 11.517 8.833 7 1HE MET 1 1HE MET 1 -16.409 13.693 6.763 8 2HE MET 1 2HE MET 1 -15.066 14.849 6.694 9 3HE MET 1 3HE MET 1 -14.730 13.102 6.660 10 H ALA 2 H ALA 2 -15.976 9.173 10.952 11 HA ALA 2 HA ALA 2 -13.876 8.163 9.500 12 1HB ALA 2 1HB ALA 2 -15.269 6.823 11.859 13 2HB ALA 2 2HB ALA 2 -13.627 6.467 11.282 14 3HB ALA 2 3HB ALA 2 -14.004 8.069 11.946 15 H SER 3 H SER 3 -16.928 6.334 10.183 16 HA SER 3 HA SER 3 -16.438 4.053 8.740 17 1HB SER 3 2HB SER 3 -19.118 5.488 8.814 18 2HB SER 3 3HB SER 3 -18.804 3.742 8.845 19 HG SER 3 HG SER 3 -17.805 4.081 10.909 20 H VAL 4 H VAL 4 -17.468 7.251 7.454 21 HA VAL 4 HA VAL 4 -18.030 6.130 4.814 22 HB VAL 4 HB VAL 4 -17.819 9.051 5.578 23 1HG1 VAL 4 1HG1 VAL 4 -19.284 9.284 3.548 24 2HG1 VAL 4 2HG1 VAL 4 -17.681 8.649 3.165 25 3HG1 VAL 4 3HG1 VAL 4 -19.080 7.557 3.233 26 1HG2 VAL 4 1HG2 VAL 4 -20.248 7.203 5.551 27 2HG2 VAL 4 2HG2 VAL 4 -19.563 8.014 6.978 28 3HG2 VAL 4 3HG2 VAL 4 -20.312 8.971 5.697 29 H LEU 5 H LEU 5 -15.393 7.958 6.463 30 HA LEU 5 HA LEU 5 -13.725 8.213 4.138 31 1HB LEU 5 2HB LEU 5 -12.899 7.817 7.041 32 2HB LEU 5 3HB LEU 5 -11.835 8.316 5.728 33 HG LEU 5 HG LEU 5 -14.252 9.900 6.720 34 1HD1 LEU 5 1HD1 LEU 5 -12.394 9.825 8.345 35 2HD1 LEU 5 2HD1 LEU 5 -11.263 10.361 7.086 36 3HD1 LEU 5 3HD1 LEU 5 -12.563 11.438 7.636 37 1HD2 LEU 5 1HD2 LEU 5 -13.893 10.423 4.370 38 2HD2 LEU 5 2HD2 LEU 5 -13.217 11.739 5.329 39 3HD2 LEU 5 3HD2 LEU 5 -12.133 10.531 4.616 40 H GLU 6 H GLU 6 -14.026 5.555 6.510 41 HA GLU 6 HA GLU 6 -12.200 3.754 5.286 42 1HB GLU 6 2HB GLU 6 -14.729 3.249 6.901 43 2HB GLU 6 3HB GLU 6 -13.583 1.989 6.436 44 1HG GLU 6 2HG GLU 6 -11.808 2.984 7.721 45 2HG GLU 6 3HG GLU 6 -12.731 4.456 8.019 46 H GLU 7 H GLU 7 -15.749 4.146 4.756 47 HA GLU 7 HA GLU 7 -16.105 2.242 2.749 48 1HB GLU 7 2HB GLU 7 -17.820 3.668 3.944 49 2HB GLU 7 3HB GLU 7 -17.441 4.984 2.826 50 1HG GLU 7 2HG GLU 7 -18.522 2.249 2.048 51 2HG GLU 7 3HG GLU 7 -19.470 3.732 2.255 52 H LEU 8 H LEU 8 -15.141 5.680 2.340 53 HA LEU 8 HA LEU 8 -14.863 5.569 -0.495 54 1HB LEU 8 2HB LEU 8 -13.617 7.406 1.584 55 2HB LEU 8 3HB LEU 8 -13.518 7.697 -0.156 56 HG LEU 8 HG LEU 8 -16.187 7.437 1.298 57 1HD1 LEU 8 1HD1 LEU 8 -14.937 9.326 2.255 58 2HD1 LEU 8 2HD1 LEU 8 -14.591 9.943 0.626 59 3HD1 LEU 8 3HD1 LEU 8 -16.260 9.912 1.234 60 1HD2 LEU 8 1HD2 LEU 8 -17.065 8.594 -0.659 61 2HD2 LEU 8 2HD2 LEU 8 -15.449 8.648 -1.390 62 3HD2 LEU 8 3HD2 LEU 8 -16.289 7.098 -1.164 63 H GLN 9 H GLN 9 -12.468 5.055 2.141 64 HA GLN 9 HA GLN 9 -10.254 4.627 0.425 65 1HB GLN 9 2HB GLN 9 -10.210 4.927 2.942 66 2HB GLN 9 3HB GLN 9 -10.785 3.267 3.103 67 1HG GLN 9 2HG GLN 9 -8.359 3.356 3.387 68 2HG GLN 9 3HG GLN 9 -8.769 2.423 1.945 69 1HE2 GLN 9 2HE2 GLN 9 -8.374 5.979 2.622 70 2HE2 GLN 9 1HE2 GLN 9 -7.224 6.221 1.318 71 H LYS 10 H LYS 10 -12.721 2.333 1.665 72 HA LYS 10 HA LYS 10 -11.703 0.003 0.400 73 1HB LYS 10 2HB LYS 10 -13.330 -0.055 2.153 74 2HB LYS 10 3HB LYS 10 -14.551 0.753 1.204 75 1HG LYS 10 2HG LYS 10 -13.302 -1.917 0.426 76 2HG LYS 10 3HG LYS 10 -14.685 -1.785 1.504 77 1HD LYS 10 2HD LYS 10 -14.673 -1.026 -1.459 78 2HD LYS 10 3HD LYS 10 -15.415 -2.398 -0.676 79 1HE LYS 10 2HE LYS 10 -17.243 -1.059 -0.910 80 2HE LYS 10 3HE LYS 10 -16.759 -0.617 0.734 81 1HZ LYS 10 1HZ LYS 10 -15.713 1.346 -0.223 82 2HZ LYS 10 2HZ LYS 10 -16.118 0.853 -1.740 83 3HZ LYS 10 3HZ LYS 10 -17.288 1.270 -0.662 84 H ASP 11 H ASP 11 -13.996 2.518 -0.787 85 HA ASP 11 HA ASP 11 -14.444 1.316 -3.314 86 1HB ASP 11 2HB ASP 11 -15.777 3.202 -2.334 87 2HB ASP 11 3HB ASP 11 -14.430 4.297 -2.677 88 H LEU 12 H LEU 12 -11.957 3.652 -2.274 89 HA LEU 12 HA LEU 12 -10.554 4.000 -4.680 90 1HB LEU 12 2HB LEU 12 -10.301 5.162 -2.443 91 2HB LEU 12 3HB LEU 12 -9.252 3.838 -1.938 92 HG LEU 12 HG LEU 12 -8.768 5.612 -4.373 93 1HD1 LEU 12 1HD1 LEU 12 -7.588 5.743 -1.565 94 2HD1 LEU 12 2HD1 LEU 12 -7.107 6.753 -2.945 95 3HD1 LEU 12 3HD1 LEU 12 -8.735 6.904 -2.268 96 1HD2 LEU 12 1HD2 LEU 12 -6.390 4.776 -4.070 97 2HD2 LEU 12 2HD2 LEU 12 -7.011 3.573 -2.923 98 3HD2 LEU 12 3HD2 LEU 12 -7.511 3.545 -4.632 99 H GLU 13 H GLU 13 -10.037 1.553 -2.083 100 HA GLU 13 HA GLU 13 -8.033 0.056 -3.374 101 1HB GLU 13 2HB GLU 13 -8.752 -0.142 -0.981 102 2HB GLU 13 3HB GLU 13 -10.192 -1.024 -1.515 103 1HG GLU 13 2HG GLU 13 -8.739 -2.772 -2.532 104 2HG GLU 13 3HG GLU 13 -7.303 -1.873 -2.014 105 H GLU 14 H GLU 14 -11.603 -0.258 -3.578 106 HA GLU 14 HA GLU 14 -11.687 -2.545 -5.205 107 1HB GLU 14 2HB GLU 14 -13.609 -1.439 -4.015 108 2HB GLU 14 3HB GLU 14 -13.670 -0.231 -5.310 109 1HG GLU 14 2HG GLU 14 -14.064 -2.029 -6.973 110 2HG GLU 14 3HG GLU 14 -13.986 -3.241 -5.682 111 H VAL 15 H VAL 15 -11.700 0.947 -6.267 112 HA VAL 15 HA VAL 15 -11.522 0.207 -9.020 113 HB VAL 15 HB VAL 15 -12.209 2.375 -8.652 114 1HG1 VAL 15 1HG1 VAL 15 -11.093 2.989 -6.566 115 2HG1 VAL 15 2HG1 VAL 15 -9.507 3.029 -7.377 116 3HG1 VAL 15 3HG1 VAL 15 -10.758 4.206 -7.798 117 1HG2 VAL 15 1HG2 VAL 15 -9.420 2.708 -9.804 118 2HG2 VAL 15 2HG2 VAL 15 -10.706 1.839 -10.655 119 3HG2 VAL 15 3HG2 VAL 15 -10.912 3.555 -10.248 120 H LYS 16 H LYS 16 -8.888 0.856 -6.620 121 HA LYS 16 HA LYS 16 -6.722 0.610 -8.360 122 1HB LYS 16 2HB LYS 16 -6.716 1.179 -5.907 123 2HB LYS 16 3HB LYS 16 -6.844 -0.551 -5.552 124 1HG LYS 16 2HG LYS 16 -4.722 -0.879 -6.930 125 2HG LYS 16 3HG LYS 16 -4.568 0.879 -6.986 126 1HD LYS 16 2HD LYS 16 -4.619 -0.926 -4.520 127 2HD LYS 16 3HD LYS 16 -3.207 -0.085 -5.169 128 1HE LYS 16 2HE LYS 16 -5.655 1.185 -3.845 129 2HE LYS 16 3HE LYS 16 -4.020 1.082 -3.194 130 1HZ LYS 16 1HZ LYS 16 -3.278 2.475 -4.997 131 2HZ LYS 16 2HZ LYS 16 -4.817 2.592 -5.580 132 3HZ LYS 16 3HZ LYS 16 -4.446 3.221 -4.104 133 H VAL 17 H VAL 17 -8.401 -2.049 -6.618 134 HA VAL 17 HA VAL 17 -6.990 -4.214 -7.769 135 HB VAL 17 HB VAL 17 -9.805 -3.962 -6.655 136 1HG1 VAL 17 1HG1 VAL 17 -9.910 -5.843 -8.190 137 2HG1 VAL 17 2HG1 VAL 17 -8.360 -6.477 -7.581 138 3HG1 VAL 17 3HG1 VAL 17 -9.799 -6.460 -6.540 139 1HG2 VAL 17 1HG2 VAL 17 -7.278 -5.304 -5.589 140 2HG2 VAL 17 2HG2 VAL 17 -7.843 -3.704 -5.087 141 3HG2 VAL 17 3HG2 VAL 17 -8.827 -5.132 -4.741 142 H LEU 18 H LEU 18 -9.960 -2.519 -8.991 143 HA LEU 18 HA LEU 18 -10.118 -4.149 -11.357 144 1HB LEU 18 2HB LEU 18 -11.052 -1.290 -10.928 145 2HB LEU 18 3HB LEU 18 -11.411 -2.276 -12.342 146 HG LEU 18 HG LEU 18 -12.301 -2.904 -9.496 147 1HD1 LEU 18 1HD1 LEU 18 -13.831 -1.966 -11.961 148 2HD1 LEU 18 2HD1 LEU 18 -14.537 -2.358 -10.377 149 3HD1 LEU 18 3HD1 LEU 18 -13.446 -0.972 -10.538 150 1HD2 LEU 18 1HD2 LEU 18 -12.026 -5.020 -10.676 151 2HD2 LEU 18 2HD2 LEU 18 -13.742 -4.622 -10.632 152 3HD2 LEU 18 3HD2 LEU 18 -12.822 -4.359 -12.126 153 H LEU 19 H LEU 19 -8.221 -1.158 -10.723 154 HA LEU 19 HA LEU 19 -7.347 -0.821 -13.413 155 1HB LEU 19 2HB LEU 19 -5.712 -0.194 -10.929 156 2HB LEU 19 3HB LEU 19 -5.448 0.410 -12.557 157 HG LEU 19 HG LEU 19 -7.729 1.113 -10.692 158 1HD1 LEU 19 1HD1 LEU 19 -6.781 3.353 -10.794 159 2HD1 LEU 19 2HD1 LEU 19 -5.576 2.185 -10.223 160 3HD1 LEU 19 3HD1 LEU 19 -5.506 2.785 -11.894 161 1HD2 LEU 19 1HD2 LEU 19 -8.562 2.662 -12.367 162 2HD2 LEU 19 2HD2 LEU 19 -7.333 2.132 -13.526 163 3HD2 LEU 19 3HD2 LEU 19 -8.633 1.022 -13.007 164 H GLU 20 H GLU 20 -5.996 -2.723 -10.697 165 HA GLU 20 HA GLU 20 -3.787 -3.807 -12.152 166 1HB GLU 20 2HB GLU 20 -5.377 -4.946 -9.816 167 2HB GLU 20 3HB GLU 20 -3.859 -5.619 -10.421 168 1HG GLU 20 2HG GLU 20 -2.641 -3.608 -9.854 169 2HG GLU 20 3HG GLU 20 -4.122 -2.727 -9.469 170 H LYS 21 H LYS 21 -6.966 -5.356 -11.458 171 HA LYS 21 HA LYS 21 -6.348 -7.668 -12.999 172 1HB LYS 21 2HB LYS 21 -9.013 -6.617 -11.979 173 2HB LYS 21 3HB LYS 21 -8.748 -8.218 -12.692 174 1HG LYS 21 2HG LYS 21 -7.110 -8.761 -10.904 175 2HG LYS 21 3HG LYS 21 -7.342 -7.165 -10.198 176 1HD LYS 21 2HD LYS 21 -8.656 -8.754 -8.941 177 2HD LYS 21 3HD LYS 21 -9.724 -7.627 -9.781 178 1HE LYS 21 2HE LYS 21 -10.560 -9.957 -9.839 179 2HE LYS 21 3HE LYS 21 -10.286 -9.325 -11.462 180 1HZ LYS 21 1HZ LYS 21 -8.215 -10.514 -11.510 181 2HZ LYS 21 2HZ LYS 21 -8.449 -11.077 -9.978 182 3HZ LYS 21 3HZ LYS 21 -9.457 -11.546 -11.193 183 H SER 22 H SER 22 -8.282 -4.783 -13.874 184 HA SER 22 HA SER 22 -9.402 -6.044 -16.226 185 1HB SER 22 2HB SER 22 -10.472 -4.183 -14.904 186 2HB SER 22 3HB SER 22 -9.256 -3.071 -15.556 187 HG SER 22 HG SER 22 -11.087 -4.631 -17.073 188 H THR 23 H THR 23 -6.854 -3.632 -15.699 189 HA THR 23 HA THR 23 -5.178 -2.866 -16.862 190 HB THR 23 HB THR 23 -4.980 -5.434 -18.436 191 HG1 THR 23 HG1 THR 23 -4.744 -5.296 -15.593 192 1HG2 THR 23 1HG2 THR 23 -2.970 -3.890 -16.732 193 2HG2 THR 23 2HG2 THR 23 -2.623 -5.335 -17.703 194 3HG2 THR 23 3HG2 THR 23 -3.090 -3.823 -18.504 195 H ARG 24 H ARG 24 -7.679 -3.918 -19.063 196 HA ARG 24 HA ARG 24 -6.573 -2.741 -21.416 197 1HB ARG 24 2HB ARG 24 -9.515 -3.019 -20.645 198 2HB ARG 24 3HB ARG 24 -8.852 -2.834 -22.277 199 1HG ARG 24 2HG ARG 24 -7.593 -5.033 -21.881 200 2HG ARG 24 3HG ARG 24 -8.603 -5.239 -20.441 201 1HD ARG 24 2HD ARG 24 -10.645 -5.031 -21.834 202 2HD ARG 24 3HD ARG 24 -9.623 -4.889 -23.290 203 HE ARG 24 HE ARG 24 -8.894 -7.234 -21.863 204 1HH1 ARG 24 1HH1 ARG 24 -11.578 -5.968 -23.774 205 2HH1 ARG 24 2HH1 ARG 24 -12.125 -7.531 -24.315 206 1HH2 ARG 24 2HH2 ARG 24 -9.596 -9.286 -22.546 207 2HH2 ARG 24 1HH2 ARG 24 -10.974 -9.459 -23.597 208 H LYS 25 H LYS 25 -8.059 -0.881 -22.479 209 HA LYS 25 HA LYS 25 -7.557 1.614 -21.428 210 1HB LYS 25 2HB LYS 25 -8.455 0.909 -23.733 211 2HB LYS 25 3HB LYS 25 -10.056 0.891 -22.990 212 1HG LYS 25 2HG LYS 25 -9.454 3.395 -22.297 213 2HG LYS 25 3HG LYS 25 -8.134 3.201 -23.444 214 1HD LYS 25 2HD LYS 25 -9.687 4.045 -24.892 215 2HD LYS 25 3HD LYS 25 -10.157 2.355 -25.038 216 1HE LYS 25 2HE LYS 25 -11.438 4.486 -23.239 217 2HE LYS 25 3HE LYS 25 -12.135 3.783 -24.706 218 1HZ LYS 25 1HZ LYS 25 -12.183 1.670 -23.563 219 2HZ LYS 25 2HZ LYS 25 -11.569 2.371 -22.198 220 3HZ LYS 25 3HZ LYS 25 -13.049 2.820 -22.754 221 H ARG 26 H ARG 26 -9.836 -0.657 -20.163 222 HA ARG 26 HA ARG 26 -11.937 0.923 -19.112 223 1HB ARG 26 2HB ARG 26 -10.503 -1.633 -18.275 224 2HB ARG 26 3HB ARG 26 -11.687 -0.919 -17.204 225 1HG ARG 26 2HG ARG 26 -12.196 -1.985 -20.005 226 2HG ARG 26 3HG ARG 26 -12.754 -2.633 -18.455 227 1HD ARG 26 2HD ARG 26 -13.708 -0.152 -19.903 228 2HD ARG 26 3HD ARG 26 -14.642 -1.554 -19.371 229 HE ARG 26 HE ARG 26 -13.632 -0.510 -17.017 230 1HH1 ARG 26 2HH2 ARG 26 -15.732 0.664 -19.597 231 2HH1 ARG 26 1HH2 ARG 26 -16.496 1.881 -18.610 232 1HH2 ARG 26 2HH1 ARG 26 -14.474 1.167 -15.770 233 2HH2 ARG 26 1HH1 ARG 26 -15.845 2.090 -16.343 234 H LEU 27 H LEU 27 -8.604 0.404 -18.015 235 HA LEU 27 HA LEU 27 -8.650 1.507 -15.466 236 1HB LEU 27 2HB LEU 27 -6.669 1.570 -17.753 237 2HB LEU 27 3HB LEU 27 -6.337 2.502 -16.288 238 HG LEU 27 HG LEU 27 -6.271 0.639 -14.892 239 1HD1 LEU 27 1HD1 LEU 27 -8.226 -0.673 -15.663 240 2HD1 LEU 27 2HD1 LEU 27 -7.344 -1.122 -17.135 241 3HD1 LEU 27 3HD1 LEU 27 -6.785 -1.651 -15.567 242 1HD2 LEU 27 1HD2 LEU 27 -4.289 0.965 -16.317 243 2HD2 LEU 27 2HD2 LEU 27 -4.507 -0.736 -15.871 244 3HD2 LEU 27 3HD2 LEU 27 -4.949 -0.181 -17.502 245 H ARG 28 H ARG 28 -8.681 3.351 -18.562 246 HA ARG 28 HA ARG 28 -8.293 5.895 -17.270 247 1HB ARG 28 2HB ARG 28 -9.677 5.354 -19.934 248 2HB ARG 28 3HB ARG 28 -8.950 6.868 -19.372 249 1HG ARG 28 2HG ARG 28 -6.733 5.519 -19.200 250 2HG ARG 28 3HG ARG 28 -7.554 4.284 -20.170 251 1HD ARG 28 2HD ARG 28 -7.005 7.181 -20.917 252 2HD ARG 28 3HD ARG 28 -6.275 5.726 -21.630 253 HE ARG 28 HE ARG 28 -9.105 5.589 -21.936 254 1HH1 ARG 28 2HH1 ARG 28 -6.333 7.411 -23.130 255 2HH1 ARG 28 1HH1 ARG 28 -7.093 7.884 -24.625 256 1HH2 ARG 28 2HH2 ARG 28 -10.147 6.249 -23.873 257 2HH2 ARG 28 1HH2 ARG 28 -9.296 7.203 -25.056 258 H ASP 29 H ASP 29 -11.187 4.298 -18.603 259 HA ASP 29 HA ASP 29 -13.131 6.183 -17.862 260 1HB ASP 29 2HB ASP 29 -13.416 3.142 -18.057 261 2HB ASP 29 3HB ASP 29 -14.731 4.318 -18.130 262 H THR 30 H THR 30 -12.142 3.203 -16.205 263 HA THR 30 HA THR 30 -13.888 3.408 -13.997 264 HB THR 30 HB THR 30 -11.227 1.937 -14.076 265 HG1 THR 30 HG1 THR 30 -12.346 1.323 -15.868 266 1HG2 THR 30 1HG2 THR 30 -12.546 2.000 -11.883 267 2HG2 THR 30 2HG2 THR 30 -13.864 1.190 -12.743 268 3HG2 THR 30 3HG2 THR 30 -12.288 0.385 -12.584 269 H LEU 31 H LEU 31 -10.391 4.348 -14.333 270 HA LEU 31 HA LEU 31 -10.064 5.313 -11.697 271 1HB LEU 31 2HB LEU 31 -8.258 4.895 -13.284 272 2HB LEU 31 3HB LEU 31 -8.726 6.288 -14.263 273 HG LEU 31 HG LEU 31 -7.987 6.540 -11.311 274 1HD1 LEU 31 1HD1 LEU 31 -6.109 6.617 -13.708 275 2HD1 LEU 31 2HD1 LEU 31 -5.674 7.013 -12.030 276 3HD1 LEU 31 3HD1 LEU 31 -6.149 5.362 -12.449 277 1HD2 LEU 31 1HD2 LEU 31 -7.203 8.821 -12.076 278 2HD2 LEU 31 2HD2 LEU 31 -7.913 8.493 -13.666 279 3HD2 LEU 31 3HD2 LEU 31 -8.940 8.618 -12.222 280 H THR 32 H THR 32 -10.971 7.114 -14.700 281 HA THR 32 HA THR 32 -11.220 9.614 -13.438 282 HB THR 32 HB THR 32 -12.785 8.621 -15.862 283 HG1 THR 32 HG1 THR 32 -10.620 8.305 -16.207 284 1HG2 THR 32 1HG2 THR 32 -13.582 10.823 -15.016 285 2HG2 THR 32 2HG2 THR 32 -11.907 11.419 -15.002 286 3HG2 THR 32 3HG2 THR 32 -12.691 11.002 -16.537 287 H SER 33 H SER 33 -13.810 7.210 -14.136 288 HA SER 33 HA SER 33 -15.920 8.735 -12.999 289 1HB SER 33 2HB SER 33 -17.127 6.545 -12.887 290 2HB SER 33 3HB SER 33 -16.439 6.922 -14.477 291 HG SER 33 HG SER 33 -14.742 5.515 -14.045 292 H GLU 34 H GLU 34 -14.008 6.029 -11.528 293 HA GLU 34 HA GLU 34 -15.358 6.250 -9.060 294 1HB GLU 34 2HB GLU 34 -13.776 4.337 -9.946 295 2HB GLU 34 3HB GLU 34 -12.500 5.286 -9.166 296 1HG GLU 34 2HG GLU 34 -13.201 3.900 -7.379 297 2HG GLU 34 3HG GLU 34 -14.223 5.295 -7.110 298 H LYS 35 H LYS 35 -12.289 7.795 -10.152 299 HA LYS 35 HA LYS 35 -11.640 9.136 -7.753 300 1HB LYS 35 2HB LYS 35 -10.144 9.063 -9.661 301 2HB LYS 35 3HB LYS 35 -11.284 9.987 -10.657 302 1HG LYS 35 2HG LYS 35 -11.016 11.953 -9.253 303 2HG LYS 35 3HG LYS 35 -9.988 11.057 -8.113 304 1HD LYS 35 2HD LYS 35 -8.314 10.691 -9.872 305 2HD LYS 35 3HD LYS 35 -9.341 11.503 -11.066 306 1HE LYS 35 2HE LYS 35 -8.209 12.839 -8.555 307 2HE LYS 35 3HE LYS 35 -7.486 12.942 -10.170 308 1HZ LYS 35 1HZ LYS 35 -10.160 13.906 -9.435 309 2HZ LYS 35 2HZ LYS 35 -8.831 14.826 -9.726 310 3HZ LYS 35 3HZ LYS 35 -9.508 13.954 -10.950 311 H SER 36 H SER 36 -13.741 10.205 -10.484 312 HA SER 36 HA SER 36 -14.496 12.683 -9.371 313 1HB SER 36 2HB SER 36 -16.177 10.869 -11.158 314 2HB SER 36 3HB SER 36 -16.421 12.600 -10.872 315 HG SER 36 HG SER 36 -14.151 11.366 -12.063 316 H LYS 37 H LYS 37 -16.205 9.508 -9.093 317 HA LYS 37 HA LYS 37 -18.250 10.314 -7.336 318 1HB LYS 37 2HB LYS 37 -16.729 7.689 -7.592 319 2HB LYS 37 3HB LYS 37 -18.068 7.887 -6.484 320 1HG LYS 37 2HG LYS 37 -18.180 8.215 -9.516 321 2HG LYS 37 3HG LYS 37 -18.737 6.822 -8.597 322 1HD LYS 37 2HD LYS 37 -19.945 9.615 -8.682 323 2HD LYS 37 3HD LYS 37 -20.672 8.093 -9.181 324 1HE LYS 37 2HE LYS 37 -20.091 8.985 -6.318 325 2HE LYS 37 3HE LYS 37 -21.669 8.799 -7.082 326 1HZ LYS 37 1HZ LYS 37 -19.775 6.611 -6.599 327 2HZ LYS 37 2HZ LYS 37 -21.086 6.959 -5.672 328 3HZ LYS 37 3HZ LYS 37 -21.290 6.463 -7.235 329 H ILE 38 H ILE 38 -15.057 8.921 -6.414 330 HA ILE 38 HA ILE 38 -15.414 9.118 -3.651 331 HB ILE 38 HB ILE 38 -12.909 9.199 -5.364 332 1HG1 ILE 38 2HG1 ILE 38 -14.018 7.017 -3.532 333 2HG1 ILE 38 3HG1 ILE 38 -14.436 7.136 -5.240 334 1HG2 ILE 38 1HG2 ILE 38 -12.323 10.310 -3.244 335 2HG2 ILE 38 2HG2 ILE 38 -13.092 9.000 -2.323 336 3HG2 ILE 38 3HG2 ILE 38 -11.625 8.700 -3.274 337 1HD1 ILE 38 1HD1 ILE 38 -12.025 6.943 -5.848 338 2HD1 ILE 38 2HD1 ILE 38 -11.644 6.655 -4.134 339 3HD1 ILE 38 3HD1 ILE 38 -12.678 5.523 -5.011 340 H GLU 39 H GLU 39 -13.826 11.532 -5.815 341 HA GLU 39 HA GLU 39 -13.352 13.457 -3.785 342 1HB GLU 39 2HB GLU 39 -13.757 13.720 -6.787 343 2HB GLU 39 3HB GLU 39 -13.288 15.074 -5.743 344 1HG GLU 39 2HG GLU 39 -11.301 13.844 -4.960 345 2HG GLU 39 3HG GLU 39 -11.717 12.463 -5.979 346 H THR 40 H THR 40 -16.196 13.050 -5.937 347 HA THR 40 HA THR 40 -17.610 15.361 -5.072 348 HB THR 40 HB THR 40 -18.610 12.689 -6.154 349 HG1 THR 40 HG1 THR 40 -17.248 13.740 -7.556 350 1HG2 THR 40 1HG2 THR 40 -20.031 15.376 -6.029 351 2HG2 THR 40 2HG2 THR 40 -20.568 13.934 -6.920 352 3HG2 THR 40 3HG2 THR 40 -20.503 13.896 -5.150 353 H GLU 41 H GLU 41 -17.783 11.969 -3.916 354 HA GLU 41 HA GLU 41 -19.784 12.385 -1.931 355 1HB GLU 41 2HB GLU 41 -17.588 10.319 -2.275 356 2HB GLU 41 3HB GLU 41 -18.864 10.188 -1.049 357 1HG GLU 41 2HG GLU 41 -20.601 10.055 -2.684 358 2HG GLU 41 3HG GLU 41 -19.540 10.532 -4.007 359 H LEU 42 H LEU 42 -16.200 12.275 -1.699 360 HA LEU 42 HA LEU 42 -15.908 12.879 1.034 361 1HB LEU 42 2HB LEU 42 -14.102 12.113 -0.394 362 2HB LEU 42 3HB LEU 42 -14.214 13.552 -1.398 363 HG LEU 42 HG LEU 42 -13.486 14.954 0.510 364 1HD1 LEU 42 1HD1 LEU 42 -14.233 13.610 2.429 365 2HD1 LEU 42 2HD1 LEU 42 -13.196 12.256 1.920 366 3HD1 LEU 42 3HD1 LEU 42 -12.473 13.768 2.501 367 1HD2 LEU 42 1HD2 LEU 42 -11.860 14.077 -1.117 368 2HD2 LEU 42 2HD2 LEU 42 -11.141 14.193 0.499 369 3HD2 LEU 42 3HD2 LEU 42 -11.647 12.611 -0.134 370 H LYS 43 H LYS 43 -15.937 15.190 -1.748 371 HA LYS 43 HA LYS 43 -15.784 17.489 -0.141 372 1HB LYS 43 2HB LYS 43 -15.235 17.456 -2.528 373 2HB LYS 43 3HB LYS 43 -16.927 17.145 -2.940 374 1HG LYS 43 2HG LYS 43 -16.297 19.476 -3.315 375 2HG LYS 43 3HG LYS 43 -17.587 19.357 -2.118 376 1HD LYS 43 2HD LYS 43 -15.961 19.690 -0.278 377 2HD LYS 43 3HD LYS 43 -14.624 19.728 -1.438 378 1HE LYS 43 2HE LYS 43 -16.968 21.690 -1.302 379 2HE LYS 43 3HE LYS 43 -15.358 21.970 -0.630 380 1HZ LYS 43 1HZ LYS 43 -14.461 21.788 -2.841 381 2HZ LYS 43 2HZ LYS 43 -15.968 21.571 -3.474 382 3HZ LYS 43 3HZ LYS 43 -15.578 22.996 -2.747 383 H ASN 44 H ASN 44 -18.638 15.604 -1.190 384 HA ASN 44 HA ASN 44 -20.581 17.462 -0.123 385 1HB ASN 44 2HB ASN 44 -20.631 14.501 -0.749 386 2HB ASN 44 3HB ASN 44 -21.882 15.202 0.273 387 1HD2 ASN 44 2HD2 ASN 44 -20.282 15.671 -2.910 388 2HD2 ASN 44 1HD2 ASN 44 -21.716 16.357 -3.677 389 H LYS 45 H LYS 45 -19.082 14.515 1.355 390 HA LYS 45 HA LYS 45 -20.271 14.904 3.882 391 1HB LYS 45 2HB LYS 45 -17.940 13.315 2.850 392 2HB LYS 45 3HB LYS 45 -18.039 13.581 4.593 393 1HG LYS 45 2HG LYS 45 -19.160 11.506 3.999 394 2HG LYS 45 3HG LYS 45 -20.268 12.673 4.723 395 1HD LYS 45 2HD LYS 45 -21.050 13.293 2.393 396 2HD LYS 45 3HD LYS 45 -20.041 11.987 1.752 397 1HE LYS 45 2HE LYS 45 -21.397 10.334 2.945 398 2HE LYS 45 3HE LYS 45 -22.239 11.616 3.842 399 1HZ LYS 45 1HZ LYS 45 -23.549 10.829 2.034 400 2HZ LYS 45 2HZ LYS 45 -23.143 12.415 1.821 401 3HZ LYS 45 3HZ LYS 45 -22.382 11.239 0.942 402 H MET 46 H MET 46 -17.322 16.442 2.621 403 HA MET 46 HA MET 46 -16.442 17.629 5.016 404 1HB MET 46 2HB MET 46 -16.443 18.642 2.160 405 2HB MET 46 3HB MET 46 -15.734 19.566 3.490 406 1HG MET 46 2HG MET 46 -14.207 17.787 4.035 407 2HG MET 46 3HG MET 46 -14.938 16.709 2.840 408 1HE MET 46 1HE MET 46 -12.498 16.194 2.106 409 2HE MET 46 2HE MET 46 -11.367 17.394 1.430 410 3HE MET 46 3HE MET 46 -11.775 17.425 3.162 411 H GLN 47 H GLN 47 -19.157 18.805 2.903 412 HA GLN 47 HA GLN 47 -20.317 20.207 5.128 413 1HB GLN 47 2HB GLN 47 -19.948 22.479 4.614 414 2HB GLN 47 3HB GLN 47 -18.375 21.715 4.693 415 1HG GLN 47 2HG GLN 47 -19.782 22.906 2.311 416 2HG GLN 47 3HG GLN 47 -18.159 23.164 2.919 417 1HE2 GLN 47 1HE2 GLN 47 -20.249 20.916 1.114 418 2HE2 GLN 47 2HE2 GLN 47 -18.914 19.940 0.470 419 H GLN 48 H GLN 48 -21.439 18.348 3.368 420 HA GLN 48 HA GLN 48 -23.028 19.686 1.414 421 1HB GLN 48 2HB GLN 48 -24.446 17.719 1.384 422 2HB GLN 48 3HB GLN 48 -22.743 17.388 1.133 423 1HG GLN 48 2HG GLN 48 -22.503 16.402 3.332 424 2HG GLN 48 3HG GLN 48 -24.115 16.901 3.818 425 1HE2 GLN 48 1HE2 GLN 48 -25.975 16.116 2.247 426 2HE2 GLN 48 2HE2 GLN 48 -25.800 14.438 1.762 427 H LYS 49 H LYS 49 -23.628 21.596 2.580 428 HA LYS 49 HA LYS 49 -25.682 21.591 4.583 429 1HB LYS 49 2HB LYS 49 -24.161 23.493 3.774 430 2HB LYS 49 3HB LYS 49 -25.313 23.759 2.475 431 1HG LYS 49 2HG LYS 49 -25.901 23.765 5.482 432 2HG LYS 49 3HG LYS 49 -25.572 25.209 4.541 433 1HD LYS 49 2HD LYS 49 -27.969 23.355 4.144 434 2HD LYS 49 3HD LYS 49 -27.992 24.866 5.030 435 1HE LYS 49 2HE LYS 49 -27.399 24.618 2.042 436 2HE LYS 49 3HE LYS 49 -28.916 25.144 2.774 437 1HZ LYS 49 1HZ LYS 49 -26.335 26.507 3.035 438 2HZ LYS 49 2HZ LYS 49 -27.609 26.986 2.111 439 3HZ LYS 49 3HZ LYS 49 -27.743 26.979 3.754 440 H SER 50 H SER 50 -26.874 19.800 3.836 441 HA SER 50 HA SER 50 -28.197 19.696 1.269 442 1HB SER 50 2HB SER 50 -28.600 18.000 3.773 443 2HB SER 50 3HB SER 50 -29.056 17.574 2.114 444 HG SER 50 HG SER 50 -26.392 18.120 3.001 445 H GLN 51 H GLN 51 -29.075 21.924 1.768 446 HA GLN 51 HA GLN 51 -30.770 23.331 2.018 447 1HB GLN 51 2HB GLN 51 -32.376 21.708 1.207 448 2HB GLN 51 3HB GLN 51 -32.525 20.968 2.805 449 1HG GLN 51 2HG GLN 51 -34.420 22.389 2.358 450 2HG GLN 51 3HG GLN 51 -33.513 23.017 3.727 451 1HE2 GLN 51 1HE2 GLN 51 -32.058 24.956 3.305 452 2HE2 GLN 51 2HE2 GLN 51 -32.572 26.046 2.022 453 H LYS 52 H LYS 52 -30.738 20.965 4.702 454 HA LYS 52 HA LYS 52 -30.379 23.209 6.658 455 1HB LYS 52 2HB LYS 52 -31.346 20.370 7.178 456 2HB LYS 52 3HB LYS 52 -31.249 21.684 8.354 457 1HG LYS 52 2HG LYS 52 -33.136 21.542 5.960 458 2HG LYS 52 3HG LYS 52 -33.544 21.293 7.658 459 1HD LYS 52 2HD LYS 52 -32.843 23.653 8.157 460 2HD LYS 52 3HD LYS 52 -32.561 23.909 6.423 461 1HE LYS 52 2HE LYS 52 -34.939 23.348 5.953 462 2HE LYS 52 3HE LYS 52 -35.224 23.130 7.690 463 1HZ LYS 52 1HZ LYS 52 -34.628 25.418 8.011 464 2HZ LYS 52 2HZ LYS 52 -34.358 25.620 6.397 465 3HZ LYS 52 3HZ LYS 52 -35.877 25.290 6.945 466 H LYS 53 H LYS 53 -29.144 21.962 8.664 467 HA LYS 53 HA LYS 53 -26.506 21.299 7.661 468 1HB LYS 53 2HB LYS 53 -27.713 20.903 10.431 469 2HB LYS 53 3HB LYS 53 -25.995 20.839 10.026 470 1HG LYS 53 2HG LYS 53 -27.796 23.306 9.861 471 2HG LYS 53 3HG LYS 53 -26.599 22.944 11.104 472 1HD LYS 53 2HD LYS 53 -24.801 22.966 9.344 473 2HD LYS 53 3HD LYS 53 -26.022 23.475 8.155 474 1HE LYS 53 2HE LYS 53 -26.518 25.492 9.522 475 2HE LYS 53 3HE LYS 53 -25.285 24.997 10.697 476 1HZ LYS 53 1HZ LYS 53 -23.652 25.173 8.971 477 2HZ LYS 53 2HZ LYS 53 -24.795 25.626 7.872 478 3HZ LYS 53 3HZ LYS 53 -24.453 26.600 9.156 479 HA PRO 54 HA PRO 54 -27.532 16.983 7.030 480 1HB PRO 54 2HB PRO 54 -25.078 15.894 6.626 481 2HB PRO 54 3HB PRO 54 -25.785 17.094 5.511 482 1HG PRO 54 2HG PRO 54 -23.837 17.638 7.778 483 2HG PRO 54 3HG PRO 54 -23.680 18.143 6.070 484 1HD PRO 54 2HD PRO 54 -24.699 19.795 7.976 485 2HD PRO 54 3HD PRO 54 -25.357 19.783 6.313 486 H GLU 55 H GLU 55 -28.212 17.357 9.455 487 HA GLU 55 HA GLU 55 -26.579 16.400 11.575 488 1HB GLU 55 2HB GLU 55 -28.678 17.742 11.805 489 2HB GLU 55 3HB GLU 55 -29.623 16.316 11.333 490 1HG GLU 55 2HG GLU 55 -28.792 15.101 13.326 491 2HG GLU 55 3HG GLU 55 -27.766 16.483 13.757 Start of MODEL 16 1 1H MET 1 H MET 1 -19.351 8.207 9.374 2 HA MET 1 HA MET 1 -18.496 10.225 8.090 3 1HB MET 1 2HB MET 1 -18.710 11.561 10.294 4 2HB MET 1 3HB MET 1 -17.142 10.888 10.745 5 1HG MET 1 2HG MET 1 -17.784 12.582 8.290 6 2HG MET 1 3HG MET 1 -16.983 13.129 9.764 7 1HE MET 1 1HE MET 1 -14.128 13.488 7.170 8 2HE MET 1 2HE MET 1 -15.859 13.836 6.951 9 3HE MET 1 3HE MET 1 -15.044 14.281 8.471 10 H ALA 2 H ALA 2 -16.830 8.624 10.822 11 HA ALA 2 HA ALA 2 -14.491 7.736 9.462 12 1HB ALA 2 1HB ALA 2 -14.735 7.640 11.908 13 2HB ALA 2 2HB ALA 2 -16.019 6.419 11.748 14 3HB ALA 2 3HB ALA 2 -14.359 6.037 11.243 15 H SER 3 H SER 3 -17.771 6.401 9.710 16 HA SER 3 HA SER 3 -17.559 3.932 8.376 17 1HB SER 3 2HB SER 3 -19.981 4.692 7.712 18 2HB SER 3 3HB SER 3 -19.594 4.503 9.432 19 HG SER 3 HG SER 3 -20.643 6.520 8.929 20 H VAL 4 H VAL 4 -18.142 7.238 7.111 21 HA VAL 4 HA VAL 4 -18.184 6.338 4.382 22 HB VAL 4 HB VAL 4 -17.919 9.165 5.419 23 1HG1 VAL 4 1HG1 VAL 4 -18.906 9.702 3.150 24 2HG1 VAL 4 2HG1 VAL 4 -17.277 9.019 3.058 25 3HG1 VAL 4 3HG1 VAL 4 -18.689 8.004 2.699 26 1HG2 VAL 4 1HG2 VAL 4 -20.365 9.267 4.998 27 2HG2 VAL 4 2HG2 VAL 4 -20.370 7.526 4.652 28 3HG2 VAL 4 3HG2 VAL 4 -19.971 8.119 6.280 29 H LEU 5 H LEU 5 -15.586 7.770 6.461 30 HA LEU 5 HA LEU 5 -13.610 7.885 4.392 31 1HB LEU 5 2HB LEU 5 -13.298 7.249 7.350 32 2HB LEU 5 3HB LEU 5 -11.947 7.497 6.247 33 HG LEU 5 HG LEU 5 -14.078 9.595 6.809 34 1HD1 LEU 5 1HD1 LEU 5 -12.755 9.103 8.836 35 2HD1 LEU 5 2HD1 LEU 5 -11.253 9.325 7.920 36 3HD1 LEU 5 3HD1 LEU 5 -12.351 10.696 8.185 37 1HD2 LEU 5 1HD2 LEU 5 -12.417 11.152 5.796 38 2HD2 LEU 5 2HD2 LEU 5 -11.344 9.785 5.443 39 3HD2 LEU 5 3HD2 LEU 5 -12.901 9.933 4.613 40 H GLU 6 H GLU 6 -14.538 5.162 6.530 41 HA GLU 6 HA GLU 6 -12.767 3.247 5.459 42 1HB GLU 6 2HB GLU 6 -14.199 3.041 7.530 43 2HB GLU 6 3HB GLU 6 -15.590 2.718 6.485 44 1HG GLU 6 2HG GLU 6 -14.357 0.745 5.531 45 2HG GLU 6 3HG GLU 6 -13.040 1.066 6.674 46 H GLU 7 H GLU 7 -16.148 3.998 4.501 47 HA GLU 7 HA GLU 7 -16.447 2.283 2.321 48 1HB GLU 7 2HB GLU 7 -18.178 3.763 3.337 49 2HB GLU 7 3HB GLU 7 -17.456 5.157 2.533 50 1HG GLU 7 2HG GLU 7 -18.661 2.763 1.108 51 2HG GLU 7 3HG GLU 7 -19.461 4.314 1.421 52 H LEU 8 H LEU 8 -15.215 5.664 2.218 53 HA LEU 8 HA LEU 8 -14.611 5.686 -0.530 54 1HB LEU 8 2HB LEU 8 -13.376 7.241 1.776 55 2HB LEU 8 3HB LEU 8 -13.109 7.641 0.074 56 HG LEU 8 HG LEU 8 -15.909 7.543 1.271 57 1HD1 LEU 8 1HD1 LEU 8 -14.628 9.195 2.547 58 2HD1 LEU 8 2HD1 LEU 8 -13.985 9.895 1.047 59 3HD1 LEU 8 3HD1 LEU 8 -15.716 10.027 1.418 60 1HD2 LEU 8 1HD2 LEU 8 -16.545 8.858 -0.589 61 2HD2 LEU 8 2HD2 LEU 8 -14.869 9.041 -1.141 62 3HD2 LEU 8 3HD2 LEU 8 -15.690 7.465 -1.244 63 H GLN 9 H GLN 9 -12.480 4.852 2.256 64 HA GLN 9 HA GLN 9 -10.165 4.361 0.693 65 1HB GLN 9 2HB GLN 9 -10.105 4.603 3.107 66 2HB GLN 9 3HB GLN 9 -11.023 3.102 3.331 67 1HG GLN 9 2HG GLN 9 -9.225 1.762 2.433 68 2HG GLN 9 3HG GLN 9 -8.360 3.189 1.845 69 1HE2 GLN 9 1HE2 GLN 9 -7.372 4.647 3.425 70 2HE2 GLN 9 2HE2 GLN 9 -6.954 4.018 5.013 71 H LYS 10 H LYS 10 -12.777 2.072 1.715 72 HA LYS 10 HA LYS 10 -11.645 -0.185 0.432 73 1HB LYS 10 2HB LYS 10 -13.430 -0.402 2.065 74 2HB LYS 10 3HB LYS 10 -14.548 0.497 1.035 75 1HG LYS 10 2HG LYS 10 -14.993 -1.899 0.970 76 2HG LYS 10 3HG LYS 10 -14.558 -1.297 -0.631 77 1HD LYS 10 2HD LYS 10 -12.241 -2.186 -0.343 78 2HD LYS 10 3HD LYS 10 -12.664 -2.781 1.268 79 1HE LYS 10 2HE LYS 10 -13.925 -3.642 -1.387 80 2HE LYS 10 3HE LYS 10 -12.691 -4.537 -0.487 81 1HZ LYS 10 1HZ LYS 10 -15.401 -3.939 0.465 82 2HZ LYS 10 2HZ LYS 10 -14.840 -5.399 -0.046 83 3HZ LYS 10 3HZ LYS 10 -14.238 -4.723 1.332 84 H ASP 11 H ASP 11 -13.907 2.321 -0.783 85 HA ASP 11 HA ASP 11 -14.277 1.218 -3.356 86 1HB ASP 11 2HB ASP 11 -15.604 3.073 -2.305 87 2HB ASP 11 3HB ASP 11 -14.247 4.173 -2.587 88 H LEU 12 H LEU 12 -11.797 3.464 -2.121 89 HA LEU 12 HA LEU 12 -10.310 3.924 -4.449 90 1HB LEU 12 2HB LEU 12 -10.121 4.793 -1.947 91 2HB LEU 12 3HB LEU 12 -8.872 3.551 -1.830 92 HG LEU 12 HG LEU 12 -8.969 5.825 -3.862 93 1HD1 LEU 12 1HD1 LEU 12 -7.154 6.797 -2.506 94 2HD1 LEU 12 2HD1 LEU 12 -8.627 6.606 -1.543 95 3HD1 LEU 12 3HD1 LEU 12 -7.285 5.458 -1.346 96 1HD2 LEU 12 1HD2 LEU 12 -6.560 5.201 -4.221 97 2HD2 LEU 12 2HD2 LEU 12 -6.825 3.740 -3.246 98 3HD2 LEU 12 3HD2 LEU 12 -7.695 3.971 -4.785 99 H GLU 13 H GLU 13 -9.914 1.364 -1.955 100 HA GLU 13 HA GLU 13 -7.860 -0.113 -3.201 101 1HB GLU 13 2HB GLU 13 -8.682 -0.402 -0.858 102 2HB GLU 13 3HB GLU 13 -10.145 -1.176 -1.485 103 1HG GLU 13 2HG GLU 13 -8.753 -2.974 -2.506 104 2HG GLU 13 3HG GLU 13 -7.300 -2.195 -1.858 105 H GLU 14 H GLU 14 -11.427 -0.410 -3.571 106 HA GLU 14 HA GLU 14 -11.399 -2.609 -5.321 107 1HB GLU 14 2HB GLU 14 -13.420 -1.636 -4.178 108 2HB GLU 14 3HB GLU 14 -13.403 -0.308 -5.345 109 1HG GLU 14 2HG GLU 14 -15.020 -1.989 -6.025 110 2HG GLU 14 3HG GLU 14 -13.710 -1.920 -7.206 111 H VAL 15 H VAL 15 -11.414 0.938 -6.179 112 HA VAL 15 HA VAL 15 -11.120 0.338 -8.959 113 HB VAL 15 HB VAL 15 -11.886 2.464 -8.481 114 1HG1 VAL 15 1HG1 VAL 15 -9.208 3.110 -7.160 115 2HG1 VAL 15 2HG1 VAL 15 -10.469 4.291 -7.554 116 3HG1 VAL 15 3HG1 VAL 15 -10.807 3.023 -6.377 117 1HG2 VAL 15 1HG2 VAL 15 -9.105 2.879 -9.635 118 2HG2 VAL 15 2HG2 VAL 15 -10.412 2.074 -10.516 119 3HG2 VAL 15 3HG2 VAL 15 -10.601 3.761 -9.998 120 H LYS 16 H LYS 16 -8.570 0.770 -6.430 121 HA LYS 16 HA LYS 16 -6.359 0.581 -8.200 122 1HB LYS 16 2HB LYS 16 -6.680 -0.507 -5.380 123 2HB LYS 16 3HB LYS 16 -5.149 -0.462 -6.242 124 1HG LYS 16 2HG LYS 16 -6.777 2.077 -5.909 125 2HG LYS 16 3HG LYS 16 -5.785 1.459 -4.581 126 1HD LYS 16 2HD LYS 16 -3.781 1.521 -5.986 127 2HD LYS 16 3HD LYS 16 -4.736 2.079 -7.379 128 1HE LYS 16 2HE LYS 16 -5.372 4.125 -6.155 129 2HE LYS 16 3HE LYS 16 -4.492 3.567 -4.720 130 1HZ LYS 16 1HZ LYS 16 -2.477 3.650 -6.006 131 2HZ LYS 16 2HZ LYS 16 -3.298 4.170 -7.337 132 3HZ LYS 16 3HZ LYS 16 -3.218 5.120 -5.994 133 H VAL 17 H VAL 17 -8.110 -2.097 -6.567 134 HA VAL 17 HA VAL 17 -6.736 -4.260 -7.733 135 HB VAL 17 HB VAL 17 -9.589 -3.906 -6.748 136 1HG1 VAL 17 1HG1 VAL 17 -9.799 -6.371 -6.725 137 2HG1 VAL 17 2HG1 VAL 17 -9.744 -5.728 -8.368 138 3HG1 VAL 17 3HG1 VAL 17 -8.301 -6.496 -7.665 139 1HG2 VAL 17 1HG2 VAL 17 -8.781 -5.194 -4.841 140 2HG2 VAL 17 2HG2 VAL 17 -7.211 -5.451 -5.629 141 3HG2 VAL 17 3HG2 VAL 17 -7.685 -3.830 -5.100 142 H LEU 18 H LEU 18 -9.716 -2.632 -8.971 143 HA LEU 18 HA LEU 18 -9.816 -4.178 -11.376 144 1HB LEU 18 2HB LEU 18 -10.848 -1.383 -10.784 145 2HB LEU 18 3HB LEU 18 -11.254 -2.311 -12.231 146 HG LEU 18 HG LEU 18 -11.904 -3.192 -9.376 147 1HD1 LEU 18 1HD1 LEU 18 -14.215 -2.604 -9.971 148 2HD1 LEU 18 2HD1 LEU 18 -13.160 -1.183 -10.076 149 3HD1 LEU 18 3HD1 LEU 18 -13.672 -2.018 -11.561 150 1HD2 LEU 18 1HD2 LEU 18 -11.713 -5.154 -10.822 151 2HD2 LEU 18 2HD2 LEU 18 -13.417 -4.812 -10.534 152 3HD2 LEU 18 3HD2 LEU 18 -12.683 -4.360 -12.086 153 H LEU 19 H LEU 19 -8.155 -1.132 -10.661 154 HA LEU 19 HA LEU 19 -7.362 -0.406 -13.261 155 1HB LEU 19 2HB LEU 19 -7.247 0.988 -11.120 156 2HB LEU 19 3HB LEU 19 -5.832 0.041 -10.666 157 HG LEU 19 HG LEU 19 -4.952 0.878 -13.061 158 1HD1 LEU 19 1HD1 LEU 19 -5.766 3.137 -13.560 159 2HD1 LEU 19 2HD1 LEU 19 -7.172 2.052 -13.521 160 3HD1 LEU 19 3HD1 LEU 19 -6.837 3.107 -12.142 161 1HD2 LEU 19 1HD2 LEU 19 -3.842 1.309 -10.920 162 2HD2 LEU 19 2HD2 LEU 19 -3.907 2.793 -11.888 163 3HD2 LEU 19 3HD2 LEU 19 -5.030 2.572 -10.528 164 H GLU 20 H GLU 20 -5.729 -2.372 -10.740 165 HA GLU 20 HA GLU 20 -3.400 -3.035 -12.258 166 1HB GLU 20 2HB GLU 20 -4.857 -4.492 -10.013 167 2HB GLU 20 3HB GLU 20 -3.285 -4.991 -10.656 168 1HG GLU 20 2HG GLU 20 -2.230 -2.951 -9.944 169 2HG GLU 20 3HG GLU 20 -3.771 -2.191 -9.546 170 H LYS 21 H LYS 21 -6.531 -4.757 -11.859 171 HA LYS 21 HA LYS 21 -5.628 -6.968 -13.488 172 1HB LYS 21 2HB LYS 21 -8.308 -6.246 -12.261 173 2HB LYS 21 3HB LYS 21 -8.008 -7.745 -13.164 174 1HG LYS 21 2HG LYS 21 -6.256 -8.419 -11.630 175 2HG LYS 21 3HG LYS 21 -6.355 -6.876 -10.756 176 1HD LYS 21 2HD LYS 21 -8.572 -7.364 -9.949 177 2HD LYS 21 3HD LYS 21 -8.720 -8.781 -10.996 178 1HE LYS 21 2HE LYS 21 -8.223 -9.384 -8.619 179 2HE LYS 21 3HE LYS 21 -7.025 -9.998 -9.770 180 1HZ LYS 21 1HZ LYS 21 -6.022 -9.048 -7.823 181 2HZ LYS 21 2HZ LYS 21 -5.584 -8.215 -9.174 182 3HZ LYS 21 3HZ LYS 21 -6.693 -7.578 -8.138 183 H SER 22 H SER 22 -8.319 -4.617 -14.104 184 HA SER 22 HA SER 22 -8.707 -5.891 -16.714 185 1HB SER 22 2HB SER 22 -10.232 -3.746 -15.216 186 2HB SER 22 3HB SER 22 -10.625 -4.220 -16.876 187 HG SER 22 HG SER 22 -10.460 -6.007 -14.679 188 H THR 23 H THR 23 -6.394 -5.129 -17.096 189 HA THR 23 HA THR 23 -5.509 -2.652 -17.904 190 HB THR 23 HB THR 23 -4.112 -4.038 -19.542 191 HG1 THR 23 HG1 THR 23 -5.159 -6.247 -18.135 192 1HG2 THR 23 1HG2 THR 23 -3.338 -3.454 -17.278 193 2HG2 THR 23 2HG2 THR 23 -4.215 -4.830 -16.587 194 3HG2 THR 23 3HG2 THR 23 -2.858 -5.107 -17.696 195 H ARG 24 H ARG 24 -8.081 -4.344 -19.501 196 HA ARG 24 HA ARG 24 -7.578 -3.461 -22.175 197 1HB ARG 24 2HB ARG 24 -10.149 -4.498 -20.882 198 2HB ARG 24 3HB ARG 24 -9.803 -4.374 -22.601 199 1HG ARG 24 2HG ARG 24 -9.563 -6.619 -22.101 200 2HG ARG 24 3HG ARG 24 -7.919 -6.023 -22.305 201 1HD ARG 24 2HD ARG 24 -8.251 -7.678 -20.425 202 2HD ARG 24 3HD ARG 24 -7.479 -6.204 -19.939 203 HE ARG 24 HE ARG 24 -9.322 -5.638 -18.621 204 1HH1 ARG 24 2HH1 ARG 24 -10.297 -8.225 -20.786 205 2HH1 ARG 24 1HH1 ARG 24 -11.628 -8.757 -19.793 206 1HH2 ARG 24 1HH2 ARG 24 -10.995 -6.436 -17.179 207 2HH2 ARG 24 2HH2 ARG 24 -12.065 -7.656 -17.789 208 H LYS 25 H LYS 25 -7.268 -1.122 -21.222 209 HA LYS 25 HA LYS 25 -7.804 1.044 -21.496 210 1HB LYS 25 2HB LYS 25 -10.276 -0.018 -22.924 211 2HB LYS 25 3HB LYS 25 -10.038 1.685 -22.570 212 1HG LYS 25 2HG LYS 25 -9.304 1.294 -24.770 213 2HG LYS 25 3HG LYS 25 -7.914 1.724 -23.767 214 1HD LYS 25 2HD LYS 25 -7.188 -0.630 -23.701 215 2HD LYS 25 3HD LYS 25 -8.683 -1.146 -24.516 216 1HE LYS 25 2HE LYS 25 -8.012 0.147 -26.533 217 2HE LYS 25 3HE LYS 25 -6.531 0.671 -25.707 218 1HZ LYS 25 1HZ LYS 25 -5.878 -1.622 -25.569 219 2HZ LYS 25 2HZ LYS 25 -7.252 -2.105 -26.341 220 3HZ LYS 25 3HZ LYS 25 -6.141 -1.185 -27.136 221 H ARG 26 H ARG 26 -10.561 -0.769 -20.219 222 HA ARG 26 HA ARG 26 -12.085 0.857 -18.826 223 1HB ARG 26 2HB ARG 26 -10.787 -1.747 -17.976 224 2HB ARG 26 3HB ARG 26 -11.886 -0.940 -16.879 225 1HG ARG 26 2HG ARG 26 -12.541 -1.981 -19.669 226 2HG ARG 26 3HG ARG 26 -13.075 -2.628 -18.112 227 1HD ARG 26 2HD ARG 26 -13.972 -0.086 -19.492 228 2HD ARG 26 3HD ARG 26 -14.940 -1.458 -18.943 229 HE ARG 26 HE ARG 26 -13.762 -0.433 -16.629 230 1HH1 ARG 26 1HH1 ARG 26 -16.081 0.668 -19.050 231 2HH1 ARG 26 2HH1 ARG 26 -16.770 1.896 -18.024 232 1HH2 ARG 26 1HH2 ARG 26 -14.511 1.238 -15.352 233 2HH2 ARG 26 2HH2 ARG 26 -15.932 2.151 -15.817 234 H LEU 27 H LEU 27 -8.783 0.195 -17.722 235 HA LEU 27 HA LEU 27 -8.542 1.388 -15.277 236 1HB LEU 27 2HB LEU 27 -6.858 1.595 -17.798 237 2HB LEU 27 3HB LEU 27 -6.405 2.508 -16.357 238 HG LEU 27 HG LEU 27 -6.188 0.536 -15.019 239 1HD1 LEU 27 1HD1 LEU 27 -7.091 -0.971 -17.482 240 2HD1 LEU 27 2HD1 LEU 27 -6.367 -1.735 -16.047 241 3HD1 LEU 27 3HD1 LEU 27 -7.918 -0.923 -15.895 242 1HD2 LEU 27 1HD2 LEU 27 -4.261 1.246 -16.443 243 2HD2 LEU 27 2HD2 LEU 27 -4.271 -0.507 -16.172 244 3HD2 LEU 27 3HD2 LEU 27 -4.824 0.148 -17.727 245 H ARG 28 H ARG 28 -8.683 3.198 -18.368 246 HA ARG 28 HA ARG 28 -8.401 5.788 -17.230 247 1HB ARG 28 2HB ARG 28 -8.015 5.218 -19.598 248 2HB ARG 28 3HB ARG 28 -9.720 4.850 -19.824 249 1HG ARG 28 2HG ARG 28 -9.154 6.992 -20.769 250 2HG ARG 28 3HG ARG 28 -10.313 7.230 -19.464 251 1HD ARG 28 2HD ARG 28 -7.323 7.446 -18.957 252 2HD ARG 28 3HD ARG 28 -8.204 8.793 -19.700 253 HE ARG 28 HE ARG 28 -9.775 8.330 -17.565 254 1HH1 ARG 28 1HH1 ARG 28 -6.283 8.850 -17.832 255 2HH1 ARG 28 2HH1 ARG 28 -6.175 9.727 -16.332 256 1HH2 ARG 28 2HH2 ARG 28 -9.668 9.493 -15.706 257 2HH2 ARG 28 1HH2 ARG 28 -8.151 10.105 -15.072 258 H ASP 29 H ASP 29 -11.336 4.206 -18.533 259 HA ASP 29 HA ASP 29 -13.245 6.084 -17.758 260 1HB ASP 29 2HB ASP 29 -13.584 3.047 -17.852 261 2HB ASP 29 3HB ASP 29 -14.873 4.250 -17.972 262 H THR 30 H THR 30 -12.241 3.162 -16.033 263 HA THR 30 HA THR 30 -13.932 3.382 -13.790 264 HB THR 30 HB THR 30 -11.202 2.027 -13.923 265 HG1 THR 30 HG1 THR 30 -12.378 1.285 -15.609 266 1HG2 THR 30 1HG2 THR 30 -13.704 1.254 -12.357 267 2HG2 THR 30 2HG2 THR 30 -12.094 0.502 -12.289 268 3HG2 THR 30 3HG2 THR 30 -12.342 2.140 -11.651 269 H LEU 31 H LEU 31 -10.462 4.407 -14.213 270 HA LEU 31 HA LEU 31 -10.166 5.362 -11.584 271 1HB LEU 31 2HB LEU 31 -8.344 4.898 -13.173 272 2HB LEU 31 3HB LEU 31 -8.775 6.316 -14.127 273 HG LEU 31 HG LEU 31 -6.796 6.512 -12.639 274 1HD1 LEU 31 1HD1 LEU 31 -8.040 8.531 -13.391 275 2HD1 LEU 31 2HD1 LEU 31 -8.894 8.556 -11.832 276 3HD1 LEU 31 3HD1 LEU 31 -7.141 8.741 -11.881 277 1HD2 LEU 31 1HD2 LEU 31 -6.971 6.757 -10.251 278 2HD2 LEU 31 2HD2 LEU 31 -8.730 6.582 -10.290 279 3HD2 LEU 31 3HD2 LEU 31 -7.687 5.201 -10.709 280 H THR 32 H THR 32 -11.038 7.140 -14.596 281 HA THR 32 HA THR 32 -11.406 9.667 -13.453 282 HB THR 32 HB THR 32 -13.206 8.530 -15.643 283 HG1 THR 32 HG1 THR 32 -11.196 8.020 -16.276 284 1HG2 THR 32 1HG2 THR 32 -13.731 10.838 -14.858 285 2HG2 THR 32 2HG2 THR 32 -12.041 11.311 -15.151 286 3HG2 THR 32 3HG2 THR 32 -13.079 10.833 -16.507 287 H SER 33 H SER 33 -13.868 7.091 -13.906 288 HA SER 33 HA SER 33 -16.031 8.506 -12.776 289 1HB SER 33 2HB SER 33 -15.590 5.484 -12.836 290 2HB SER 33 3HB SER 33 -17.135 6.334 -12.644 291 HG SER 33 HG SER 33 -15.402 6.347 -14.898 292 H GLU 34 H GLU 34 -13.886 6.032 -11.240 293 HA GLU 34 HA GLU 34 -15.249 6.187 -8.762 294 1HB GLU 34 2HB GLU 34 -13.502 4.377 -9.724 295 2HB GLU 34 3HB GLU 34 -12.349 5.371 -8.821 296 1HG GLU 34 2HG GLU 34 -13.068 3.822 -7.176 297 2HG GLU 34 3HG GLU 34 -14.153 5.169 -6.875 298 H LYS 35 H LYS 35 -12.249 7.794 -9.941 299 HA LYS 35 HA LYS 35 -11.579 9.173 -7.573 300 1HB LYS 35 2HB LYS 35 -10.165 9.075 -9.609 301 2HB LYS 35 3HB LYS 35 -11.336 10.104 -10.458 302 1HG LYS 35 2HG LYS 35 -10.909 11.901 -8.732 303 2HG LYS 35 3HG LYS 35 -9.731 10.839 -7.964 304 1HD LYS 35 2HD LYS 35 -8.608 12.487 -9.350 305 2HD LYS 35 3HD LYS 35 -8.335 10.865 -9.998 306 1HE LYS 35 2HE LYS 35 -8.789 12.590 -11.752 307 2HE LYS 35 3HE LYS 35 -9.937 11.250 -11.806 308 1HZ LYS 35 1HZ LYS 35 -10.990 13.395 -12.010 309 2HZ LYS 35 2HZ LYS 35 -11.511 12.617 -10.658 310 3HZ LYS 35 3HZ LYS 35 -10.432 13.853 -10.528 311 H SER 36 H SER 36 -13.756 10.161 -10.285 312 HA SER 36 HA SER 36 -14.517 12.647 -9.195 313 1HB SER 36 2HB SER 36 -16.201 10.793 -10.935 314 2HB SER 36 3HB SER 36 -16.474 12.522 -10.649 315 HG SER 36 HG SER 36 -14.229 11.310 -11.896 316 H LYS 37 H LYS 37 -16.209 9.460 -8.827 317 HA LYS 37 HA LYS 37 -18.228 10.373 -7.066 318 1HB LYS 37 2HB LYS 37 -16.976 7.702 -7.678 319 2HB LYS 37 3HB LYS 37 -17.914 7.853 -6.195 320 1HG LYS 37 2HG LYS 37 -19.347 7.066 -7.950 321 2HG LYS 37 3HG LYS 37 -19.860 8.660 -7.382 322 1HD LYS 37 2HD LYS 37 -18.759 9.692 -9.408 323 2HD LYS 37 3HD LYS 37 -18.260 8.070 -9.919 324 1HE LYS 37 2HE LYS 37 -20.237 8.747 -11.157 325 2HE LYS 37 3HE LYS 37 -20.641 7.388 -10.096 326 1HZ LYS 37 1HZ LYS 37 -22.290 9.118 -10.047 327 2HZ LYS 37 2HZ LYS 37 -21.594 8.957 -8.564 328 3HZ LYS 37 3HZ LYS 37 -21.182 10.225 -9.535 329 H ILE 38 H ILE 38 -15.069 8.890 -6.191 330 HA ILE 38 HA ILE 38 -15.324 9.077 -3.421 331 HB ILE 38 HB ILE 38 -12.909 9.161 -5.255 332 1HG1 ILE 38 2HG1 ILE 38 -13.951 7.015 -3.339 333 2HG1 ILE 38 3HG1 ILE 38 -14.374 7.094 -5.048 334 1HG2 ILE 38 1HG2 ILE 38 -12.829 8.942 -2.215 335 2HG2 ILE 38 2HG2 ILE 38 -11.454 8.750 -3.313 336 3HG2 ILE 38 3HG2 ILE 38 -12.225 10.317 -3.164 337 1HD1 ILE 38 1HD1 ILE 38 -11.946 6.893 -5.639 338 2HD1 ILE 38 2HD1 ILE 38 -11.593 6.612 -3.916 339 3HD1 ILE 38 3HD1 ILE 38 -12.623 5.484 -4.800 340 H GLU 39 H GLU 39 -13.816 11.504 -5.625 341 HA GLU 39 HA GLU 39 -13.281 13.439 -3.616 342 1HB GLU 39 2HB GLU 39 -13.794 13.676 -6.602 343 2HB GLU 39 3HB GLU 39 -13.298 15.045 -5.590 344 1HG GLU 39 2HG GLU 39 -11.250 13.913 -4.913 345 2HG GLU 39 3HG GLU 39 -11.701 12.448 -5.787 346 H THR 40 H THR 40 -16.139 13.060 -5.750 347 HA THR 40 HA THR 40 -17.578 15.330 -4.905 348 HB THR 40 HB THR 40 -18.594 12.613 -5.858 349 HG1 THR 40 HG1 THR 40 -17.268 13.672 -7.324 350 1HG2 THR 40 1HG2 THR 40 -20.451 13.847 -4.819 351 2HG2 THR 40 2HG2 THR 40 -20.023 15.296 -5.764 352 3HG2 THR 40 3HG2 THR 40 -20.591 13.826 -6.585 353 H GLU 41 H GLU 41 -17.781 11.962 -3.637 354 HA GLU 41 HA GLU 41 -19.623 12.470 -1.539 355 1HB GLU 41 2HB GLU 41 -17.406 10.431 -1.931 356 2HB GLU 41 3HB GLU 41 -18.526 10.378 -0.552 357 1HG GLU 41 2HG GLU 41 -20.430 10.117 -2.023 358 2HG GLU 41 3HG GLU 41 -19.428 10.346 -3.466 359 H LEU 42 H LEU 42 -16.046 12.253 -1.431 360 HA LEU 42 HA LEU 42 -15.618 12.806 1.248 361 1HB LEU 42 2HB LEU 42 -13.891 12.004 -0.234 362 2HB LEU 42 3HB LEU 42 -13.973 13.461 -1.219 363 HG LEU 42 HG LEU 42 -13.075 14.812 0.656 364 1HD1 LEU 42 1HD1 LEU 42 -13.858 13.514 2.593 365 2HD1 LEU 42 2HD1 LEU 42 -12.878 12.118 2.083 366 3HD1 LEU 42 3HD1 LEU 42 -12.095 13.620 2.619 367 1HD2 LEU 42 1HD2 LEU 42 -11.417 12.350 -0.030 368 2HD2 LEU 42 2HD2 LEU 42 -11.572 13.815 -1.025 369 3HD2 LEU 42 3HD2 LEU 42 -10.793 13.904 0.565 370 H LYS 43 H LYS 43 -15.705 15.186 -1.452 371 HA LYS 43 HA LYS 43 -15.398 17.488 0.193 372 1HB LYS 43 2HB LYS 43 -15.131 17.242 -2.370 373 2HB LYS 43 3HB LYS 43 -16.888 17.337 -2.462 374 1HG LYS 43 2HG LYS 43 -16.264 19.538 -2.813 375 2HG LYS 43 3HG LYS 43 -16.579 19.559 -1.072 376 1HD LYS 43 2HD LYS 43 -14.054 19.103 -0.753 377 2HD LYS 43 3HD LYS 43 -13.874 19.346 -2.493 378 1HE LYS 43 2HE LYS 43 -14.845 21.375 -0.433 379 2HE LYS 43 3HE LYS 43 -13.309 21.399 -1.304 380 1HZ LYS 43 1HZ LYS 43 -14.526 21.713 -3.336 381 2HZ LYS 43 2HZ LYS 43 -15.964 21.685 -2.526 382 3HZ LYS 43 3HZ LYS 43 -14.895 22.898 -2.248 383 H ASN 44 H ASN 44 -18.295 15.973 -1.250 384 HA ASN 44 HA ASN 44 -20.265 17.704 -0.467 385 1HB ASN 44 2HB ASN 44 -20.682 15.956 -2.019 386 2HB ASN 44 3HB ASN 44 -20.431 14.708 -0.784 387 1HD2 ASN 44 2HD2 ASN 44 -22.155 14.174 0.596 388 2HD2 ASN 44 1HD2 ASN 44 -23.717 14.964 0.486 389 H LYS 45 H LYS 45 -19.114 14.854 1.463 390 HA LYS 45 HA LYS 45 -21.032 15.327 3.534 391 1HB LYS 45 2HB LYS 45 -19.764 13.848 4.935 392 2HB LYS 45 3HB LYS 45 -20.013 13.165 3.324 393 1HG LYS 45 2HG LYS 45 -17.722 13.556 2.707 394 2HG LYS 45 3HG LYS 45 -17.412 14.542 4.143 395 1HD LYS 45 2HD LYS 45 -17.714 12.645 5.619 396 2HD LYS 45 3HD LYS 45 -18.259 11.620 4.279 397 1HE LYS 45 2HE LYS 45 -16.080 11.727 3.211 398 2HE LYS 45 3HE LYS 45 -15.496 12.907 4.405 399 1HZ LYS 45 1HZ LYS 45 -15.794 11.203 6.085 400 2HZ LYS 45 2HZ LYS 45 -16.253 10.120 4.930 401 3HZ LYS 45 3HZ LYS 45 -14.733 10.741 4.916 402 H MET 46 H MET 46 -17.957 16.928 2.886 403 HA MET 46 HA MET 46 -17.853 18.110 5.598 404 1HB MET 46 2HB MET 46 -16.169 18.630 3.109 405 2HB MET 46 3HB MET 46 -15.928 19.347 4.709 406 1HG MET 46 2HG MET 46 -15.676 17.042 5.654 407 2HG MET 46 3HG MET 46 -15.744 16.387 4.015 408 1HE MET 46 1HE MET 46 -13.971 18.520 2.349 409 2HE MET 46 2HE MET 46 -12.393 17.712 2.469 410 3HE MET 46 3HE MET 46 -13.861 16.748 2.192 411 H GLN 47 H GLN 47 -18.074 19.349 2.243 412 HA GLN 47 HA GLN 47 -20.008 21.425 3.158 413 1HB GLN 47 2HB GLN 47 -19.087 22.985 1.536 414 2HB GLN 47 3HB GLN 47 -17.998 22.599 2.861 415 1HG GLN 47 2HG GLN 47 -16.407 22.331 1.344 416 2HG GLN 47 3HG GLN 47 -17.144 20.788 0.928 417 1HE2 GLN 47 1HE2 GLN 47 -18.812 20.866 -0.864 418 2HE2 GLN 47 2HE2 GLN 47 -18.639 22.093 -2.124 419 H GLN 48 H GLN 48 -21.872 21.221 2.189 420 HA GLN 48 HA GLN 48 -22.314 18.958 0.479 421 1HB GLN 48 2HB GLN 48 -24.178 21.077 1.596 422 2HB GLN 48 3HB GLN 48 -24.685 19.645 0.690 423 1HG GLN 48 2HG GLN 48 -24.936 19.171 3.027 424 2HG GLN 48 3HG GLN 48 -23.632 18.167 2.390 425 1HE2 GLN 48 1HE2 GLN 48 -21.556 18.382 3.311 426 2HE2 GLN 48 2HE2 GLN 48 -21.181 19.486 4.626 427 H LYS 49 H LYS 49 -20.877 19.766 -1.184 428 HA LYS 49 HA LYS 49 -20.524 20.256 -3.349 429 1HB LYS 49 2HB LYS 49 -23.466 20.984 -3.629 430 2HB LYS 49 3HB LYS 49 -22.294 20.699 -4.921 431 1HG LYS 49 2HG LYS 49 -21.944 18.365 -3.996 432 2HG LYS 49 3HG LYS 49 -23.288 18.647 -2.883 433 1HD LYS 49 2HD LYS 49 -23.450 18.746 -5.932 434 2HD LYS 49 3HD LYS 49 -23.952 17.392 -4.906 435 1HE LYS 49 2HE LYS 49 -25.617 18.894 -3.774 436 2HE LYS 49 3HE LYS 49 -25.183 20.190 -4.906 437 1HZ LYS 49 1HZ LYS 49 -27.105 19.013 -5.621 438 2HZ LYS 49 2HZ LYS 49 -25.877 18.785 -6.697 439 3HZ LYS 49 3HZ LYS 49 -26.291 17.580 -5.650 440 H SER 50 H SER 50 -22.875 22.680 -2.174 441 HA SER 50 HA SER 50 -21.276 24.956 -3.118 442 1HB SER 50 2HB SER 50 -23.612 24.784 -1.156 443 2HB SER 50 3HB SER 50 -22.933 26.275 -1.835 444 HG SER 50 HG SER 50 -23.989 24.145 -3.402 445 H GLN 51 H GLN 51 -19.920 26.226 -1.771 446 HA GLN 51 HA GLN 51 -18.684 24.932 0.468 447 1HB GLN 51 2HB GLN 51 -17.685 26.739 -1.093 448 2HB GLN 51 3HB GLN 51 -18.594 27.899 -0.109 449 1HG GLN 51 2HG GLN 51 -17.383 26.573 1.908 450 2HG GLN 51 3HG GLN 51 -16.265 26.114 0.625 451 1HE2 GLN 51 1HE2 GLN 51 -17.609 28.768 2.552 452 2HE2 GLN 51 2HE2 GLN 51 -16.378 29.951 2.101 453 H LYS 52 H LYS 52 -19.194 25.067 2.646 454 HA LYS 52 HA LYS 52 -21.645 26.375 3.525 455 1HB LYS 52 2HB LYS 52 -19.297 25.151 5.039 456 2HB LYS 52 3HB LYS 52 -20.772 25.791 5.794 457 1HG LYS 52 2HG LYS 52 -22.165 24.149 4.713 458 2HG LYS 52 3HG LYS 52 -20.841 23.601 3.688 459 1HD LYS 52 2HD LYS 52 -21.253 22.005 5.448 460 2HD LYS 52 3HD LYS 52 -19.638 22.678 5.638 461 1HE LYS 52 2HE LYS 52 -22.028 23.783 7.192 462 2HE LYS 52 3HE LYS 52 -21.163 22.337 7.725 463 1HZ LYS 52 1HZ LYS 52 -19.157 23.573 7.827 464 2HZ LYS 52 2HZ LYS 52 -19.909 24.956 7.348 465 3HZ LYS 52 3HZ LYS 52 -20.310 24.254 8.784 466 H LYS 53 H LYS 53 -21.563 28.051 5.276 467 HA LYS 53 HA LYS 53 -19.973 30.308 4.605 468 1HB LYS 53 2HB LYS 53 -20.896 31.307 6.633 469 2HB LYS 53 3HB LYS 53 -22.151 30.436 5.747 470 1HG LYS 53 2HG LYS 53 -21.824 28.481 7.345 471 2HG LYS 53 3HG LYS 53 -20.682 29.487 8.255 472 1HD LYS 53 2HD LYS 53 -22.462 31.169 8.639 473 2HD LYS 53 3HD LYS 53 -23.610 30.155 7.739 474 1HE LYS 53 2HE LYS 53 -23.265 28.311 9.388 475 2HE LYS 53 3HE LYS 53 -22.127 29.333 10.286 476 1HZ LYS 53 1HZ LYS 53 -24.967 29.920 9.836 477 2HZ LYS 53 2HZ LYS 53 -24.297 29.373 11.237 478 3HZ LYS 53 3HZ LYS 53 -23.911 30.871 10.671 479 HA PRO 54 HA PRO 54 -16.233 29.489 7.064 480 1HB PRO 54 2HB PRO 54 -16.521 32.332 8.071 481 2HB PRO 54 3HB PRO 54 -15.077 31.509 7.422 482 1HG PRO 54 2HG PRO 54 -16.481 33.237 5.885 483 2HG PRO 54 3HG PRO 54 -15.967 31.670 5.185 484 1HD PRO 54 2HD PRO 54 -18.675 32.370 6.374 485 2HD PRO 54 3HD PRO 54 -18.283 31.623 4.796 486 H GLU 55 H GLU 55 -17.968 28.133 8.322 487 HA GLU 55 HA GLU 55 -19.052 29.173 10.757 488 1HB GLU 55 2HB GLU 55 -19.988 27.348 9.314 489 2HB GLU 55 3HB GLU 55 -18.702 26.271 9.877 490 1HG GLU 55 2HG GLU 55 -19.556 26.354 12.152 491 2HG GLU 55 3HG GLU 55 -20.671 27.672 11.743 Start of MODEL 17 1 1H MET 1 H MET 1 -18.075 9.088 10.111 2 HA MET 1 HA MET 1 -16.216 10.529 9.385 3 1HB MET 1 2HB MET 1 -14.348 10.916 10.903 4 2HB MET 1 3HB MET 1 -15.848 11.662 11.467 5 1HG MET 1 2HG MET 1 -16.171 9.758 13.054 6 2HG MET 1 3HG MET 1 -14.584 9.126 12.583 7 1HE MET 1 1HE MET 1 -12.835 11.867 12.347 8 2HE MET 1 2HE MET 1 -12.146 11.827 13.981 9 3HE MET 1 3HE MET 1 -12.302 10.318 13.051 10 H ALA 2 H ALA 2 -16.038 7.718 11.561 11 HA ALA 2 HA ALA 2 -14.047 6.235 10.121 12 1HB ALA 2 1HB ALA 2 -16.431 5.240 11.741 13 2HB ALA 2 2HB ALA 2 -15.038 4.267 11.213 14 3HB ALA 2 3HB ALA 2 -14.801 5.594 12.367 15 H SER 3 H SER 3 -17.549 6.690 9.736 16 HA SER 3 HA SER 3 -18.230 4.957 7.639 17 1HB SER 3 2HB SER 3 -19.772 7.005 7.127 18 2HB SER 3 3HB SER 3 -19.917 6.234 8.716 19 HG SER 3 HG SER 3 -19.718 8.578 8.765 20 H VAL 4 H VAL 4 -17.147 8.313 7.493 21 HA VAL 4 HA VAL 4 -16.904 8.578 4.709 22 HB VAL 4 HB VAL 4 -15.262 10.075 6.796 23 1HG1 VAL 4 1HG1 VAL 4 -15.336 11.890 5.109 24 2HG1 VAL 4 2HG1 VAL 4 -14.483 10.464 4.510 25 3HG1 VAL 4 3HG1 VAL 4 -16.143 10.794 3.969 26 1HG2 VAL 4 1HG2 VAL 4 -17.123 11.744 6.689 27 2HG2 VAL 4 2HG2 VAL 4 -18.082 10.566 5.760 28 3HG2 VAL 4 3HG2 VAL 4 -17.622 10.232 7.436 29 H LEU 5 H LEU 5 -14.313 7.889 7.111 30 HA LEU 5 HA LEU 5 -12.187 7.537 5.285 31 1HB LEU 5 2HB LEU 5 -12.731 6.122 7.929 32 2HB LEU 5 3HB LEU 5 -11.194 6.057 7.066 33 HG LEU 5 HG LEU 5 -12.452 8.635 8.119 34 1HD1 LEU 5 1HD1 LEU 5 -11.818 7.102 9.951 35 2HD1 LEU 5 2HD1 LEU 5 -10.195 6.932 9.252 36 3HD1 LEU 5 3HD1 LEU 5 -10.739 8.502 9.880 37 1HD2 LEU 5 1HD2 LEU 5 -10.933 9.094 6.254 38 2HD2 LEU 5 2HD2 LEU 5 -10.158 9.542 7.775 39 3HD2 LEU 5 3HD2 LEU 5 -9.697 8.030 6.967 40 H GLU 6 H GLU 6 -14.376 5.010 6.615 41 HA GLU 6 HA GLU 6 -13.221 2.892 5.148 42 1HB GLU 6 2HB GLU 6 -15.984 3.249 6.378 43 2HB GLU 6 3HB GLU 6 -15.442 1.734 5.640 44 1HG GLU 6 2HG GLU 6 -13.963 3.106 7.937 45 2HG GLU 6 3HG GLU 6 -15.136 1.798 8.127 46 H GLU 7 H GLU 7 -16.142 4.887 4.262 47 HA GLU 7 HA GLU 7 -16.613 3.309 1.937 48 1HB GLU 7 2HB GLU 7 -18.109 4.979 1.158 49 2HB GLU 7 3HB GLU 7 -18.303 4.787 2.906 50 1HG GLU 7 2HG GLU 7 -16.931 6.848 3.231 51 2HG GLU 7 3HG GLU 7 -16.836 7.055 1.471 52 H LEU 8 H LEU 8 -14.673 6.323 2.341 53 HA LEU 8 HA LEU 8 -13.984 6.468 -0.446 54 1HB LEU 8 2HB LEU 8 -12.481 7.570 1.949 55 2HB LEU 8 3HB LEU 8 -12.239 8.057 0.257 56 HG LEU 8 HG LEU 8 -14.849 8.475 1.764 57 1HD1 LEU 8 1HD1 LEU 8 -12.972 9.801 2.688 58 2HD1 LEU 8 2HD1 LEU 8 -12.616 10.421 1.063 59 3HD1 LEU 8 3HD1 LEU 8 -14.158 10.821 1.853 60 1HD2 LEU 8 1HD2 LEU 8 -13.897 9.454 -0.955 61 2HD2 LEU 8 2HD2 LEU 8 -15.236 8.324 -0.649 62 3HD2 LEU 8 3HD2 LEU 8 -15.354 10.000 -0.106 63 H GLN 9 H GLN 9 -12.347 4.906 2.363 64 HA GLN 9 HA GLN 9 -10.080 4.013 0.939 65 1HB GLN 9 2HB GLN 9 -10.494 3.971 3.446 66 2HB GLN 9 3HB GLN 9 -11.404 2.475 3.214 67 1HG GLN 9 2HG GLN 9 -8.487 3.003 2.470 68 2HG GLN 9 3HG GLN 9 -9.035 2.153 3.917 69 1HE2 GLN 9 1HE2 GLN 9 -7.331 1.316 1.497 70 2HE2 GLN 9 2HE2 GLN 9 -8.068 -0.189 0.984 71 H LYS 10 H LYS 10 -13.203 2.295 1.536 72 HA LYS 10 HA LYS 10 -12.605 -0.036 0.095 73 1HB LYS 10 2HB LYS 10 -14.518 0.046 1.539 74 2HB LYS 10 3HB LYS 10 -15.227 1.396 0.649 75 1HG LYS 10 2HG LYS 10 -16.390 -0.710 0.192 76 2HG LYS 10 3HG LYS 10 -15.710 -0.001 -1.272 77 1HD LYS 10 2HD LYS 10 -13.785 -1.617 -1.136 78 2HD LYS 10 3HD LYS 10 -14.510 -2.320 0.323 79 1HE LYS 10 2HE LYS 10 -16.511 -2.966 -0.993 80 2HE LYS 10 3HE LYS 10 -15.841 -2.167 -2.431 81 1HZ LYS 10 1HZ LYS 10 -14.636 -4.462 -1.059 82 2HZ LYS 10 2HZ LYS 10 -15.470 -4.501 -2.483 83 3HZ LYS 10 3HZ LYS 10 -14.036 -3.702 -2.396 84 H ASP 11 H ASP 11 -14.172 3.003 -1.035 85 HA ASP 11 HA ASP 11 -14.535 2.266 -3.731 86 1HB ASP 11 2HB ASP 11 -15.523 4.254 -2.744 87 2HB ASP 11 3HB ASP 11 -13.927 4.968 -2.472 88 H LEU 12 H LEU 12 -11.701 3.916 -2.239 89 HA LEU 12 HA LEU 12 -10.052 4.063 -4.497 90 1HB LEU 12 2HB LEU 12 -9.784 5.050 -2.166 91 2HB LEU 12 3HB LEU 12 -9.039 3.524 -1.678 92 HG LEU 12 HG LEU 12 -8.041 5.294 -3.961 93 1HD1 LEU 12 1HD1 LEU 12 -6.346 6.087 -2.354 94 2HD1 LEU 12 2HD1 LEU 12 -7.979 6.500 -1.813 95 3HD1 LEU 12 3HD1 LEU 12 -7.116 5.140 -1.062 96 1HD2 LEU 12 1HD2 LEU 12 -5.874 4.054 -3.507 97 2HD2 LEU 12 2HD2 LEU 12 -6.784 2.939 -2.469 98 3HD2 LEU 12 3HD2 LEU 12 -7.134 3.051 -4.211 99 H GLU 13 H GLU 13 -10.247 1.497 -2.026 100 HA GLU 13 HA GLU 13 -8.388 -0.326 -3.006 101 1HB GLU 13 2HB GLU 13 -9.759 -0.357 -0.809 102 2HB GLU 13 3HB GLU 13 -11.059 -1.088 -1.746 103 1HG GLU 13 2HG GLU 13 -9.873 -2.853 -0.674 104 2HG GLU 13 3HG GLU 13 -9.481 -2.950 -2.396 105 H GLU 14 H GLU 14 -11.880 -0.047 -3.781 106 HA GLU 14 HA GLU 14 -12.040 -2.236 -5.522 107 1HB GLU 14 2HB GLU 14 -13.955 -0.889 -4.532 108 2HB GLU 14 3HB GLU 14 -13.646 0.351 -5.750 109 1HG GLU 14 2HG GLU 14 -15.453 -1.073 -6.498 110 2HG GLU 14 3HG GLU 14 -14.058 -1.333 -7.551 111 H VAL 15 H VAL 15 -11.571 1.263 -6.429 112 HA VAL 15 HA VAL 15 -11.169 0.595 -9.176 113 HB VAL 15 HB VAL 15 -11.709 2.810 -8.684 114 1HG1 VAL 15 1HG1 VAL 15 -9.009 3.133 -7.281 115 2HG1 VAL 15 2HG1 VAL 15 -10.138 4.442 -7.660 116 3HG1 VAL 15 3HG1 VAL 15 -10.613 3.186 -6.518 117 1HG2 VAL 15 1HG2 VAL 15 -10.154 4.004 -10.082 118 2HG2 VAL 15 2HG2 VAL 15 -8.878 2.810 -9.800 119 3HG2 VAL 15 3HG2 VAL 15 -10.338 2.355 -10.705 120 H LYS 16 H LYS 16 -8.772 0.856 -6.508 121 HA LYS 16 HA LYS 16 -6.471 0.530 -8.113 122 1HB LYS 16 2HB LYS 16 -6.533 1.156 -5.713 123 2HB LYS 16 3HB LYS 16 -6.971 -0.510 -5.304 124 1HG LYS 16 2HG LYS 16 -4.800 -1.297 -6.221 125 2HG LYS 16 3HG LYS 16 -4.424 0.339 -6.764 126 1HD LYS 16 2HD LYS 16 -3.247 -0.239 -4.663 127 2HD LYS 16 3HD LYS 16 -4.298 1.170 -4.487 128 1HE LYS 16 2HE LYS 16 -4.399 -0.411 -2.544 129 2HE LYS 16 3HE LYS 16 -5.969 -0.116 -3.287 130 1HZ LYS 16 1HZ LYS 16 -4.255 -2.466 -3.752 131 2HZ LYS 16 2HZ LYS 16 -5.640 -2.426 -2.852 132 3HZ LYS 16 3HZ LYS 16 -5.710 -2.192 -4.476 133 H VAL 17 H VAL 17 -8.462 -1.982 -6.481 134 HA VAL 17 HA VAL 17 -7.088 -4.251 -7.456 135 HB VAL 17 HB VAL 17 -9.943 -3.784 -6.528 136 1HG1 VAL 17 1HG1 VAL 17 -10.105 -5.704 -8.021 137 2HG1 VAL 17 2HG1 VAL 17 -8.642 -6.419 -7.305 138 3HG1 VAL 17 3HG1 VAL 17 -10.131 -6.272 -6.349 139 1HG2 VAL 17 1HG2 VAL 17 -8.018 -3.642 -4.870 140 2HG2 VAL 17 2HG2 VAL 17 -9.163 -4.948 -4.527 141 3HG2 VAL 17 3HG2 VAL 17 -7.600 -5.308 -5.290 142 H LEU 18 H LEU 18 -9.992 -2.595 -8.869 143 HA LEU 18 HA LEU 18 -10.088 -4.358 -11.133 144 1HB LEU 18 2HB LEU 18 -11.111 -1.513 -10.811 145 2HB LEU 18 3HB LEU 18 -11.472 -2.565 -12.184 146 HG LEU 18 HG LEU 18 -12.277 -3.079 -9.284 147 1HD1 LEU 18 1HD1 LEU 18 -13.544 -1.303 -10.466 148 2HD1 LEU 18 2HD1 LEU 18 -13.897 -2.445 -11.784 149 3HD1 LEU 18 3HD1 LEU 18 -14.546 -2.733 -10.154 150 1HD2 LEU 18 1HD2 LEU 18 -13.638 -4.953 -10.288 151 2HD2 LEU 18 2HD2 LEU 18 -12.703 -4.766 -11.787 152 3HD2 LEU 18 3HD2 LEU 18 -11.903 -5.257 -10.275 153 H LEU 19 H LEU 19 -8.369 -1.275 -10.666 154 HA LEU 19 HA LEU 19 -7.419 -0.954 -13.310 155 1HB LEU 19 2HB LEU 19 -7.320 0.792 -11.706 156 2HB LEU 19 3HB LEU 19 -6.274 -0.116 -10.623 157 HG LEU 19 HG LEU 19 -5.195 0.282 -13.384 158 1HD1 LEU 19 1HD1 LEU 19 -6.271 2.467 -13.018 159 2HD1 LEU 19 2HD1 LEU 19 -5.489 2.601 -11.427 160 3HD1 LEU 19 3HD1 LEU 19 -4.508 2.609 -12.909 161 1HD2 LEU 19 1HD2 LEU 19 -3.129 0.731 -12.115 162 2HD2 LEU 19 2HD2 LEU 19 -4.037 0.689 -10.590 163 3HD2 LEU 19 3HD2 LEU 19 -3.863 -0.783 -11.567 164 H GLU 20 H GLU 20 -5.955 -2.661 -10.494 165 HA GLU 20 HA GLU 20 -3.691 -3.677 -11.895 166 1HB GLU 20 2HB GLU 20 -5.216 -4.732 -9.480 167 2HB GLU 20 3HB GLU 20 -3.689 -5.415 -10.056 168 1HG GLU 20 2HG GLU 20 -2.510 -3.338 -9.671 169 2HG GLU 20 3HG GLU 20 -3.999 -2.478 -9.281 170 H LYS 21 H LYS 21 -6.856 -5.257 -11.227 171 HA LYS 21 HA LYS 21 -6.095 -7.653 -12.647 172 1HB LYS 21 2HB LYS 21 -8.765 -6.683 -11.549 173 2HB LYS 21 3HB LYS 21 -8.493 -8.277 -12.276 174 1HG LYS 21 2HG LYS 21 -6.753 -8.771 -10.599 175 2HG LYS 21 3HG LYS 21 -7.026 -7.195 -9.829 176 1HD LYS 21 2HD LYS 21 -9.366 -7.780 -9.360 177 2HD LYS 21 3HD LYS 21 -9.183 -9.339 -10.174 178 1HE LYS 21 2HE LYS 21 -7.595 -8.488 -7.701 179 2HE LYS 21 3HE LYS 21 -9.052 -9.495 -7.675 180 1HZ LYS 21 1HZ LYS 21 -7.100 -10.820 -7.608 181 2HZ LYS 21 2HZ LYS 21 -7.893 -11.093 -9.026 182 3HZ LYS 21 3HZ LYS 21 -6.527 -10.170 -9.008 183 H SER 22 H SER 22 -8.739 -5.277 -13.419 184 HA SER 22 HA SER 22 -9.037 -6.589 -16.057 185 1HB SER 22 2HB SER 22 -11.001 -4.940 -16.161 186 2HB SER 22 3HB SER 22 -11.094 -6.261 -14.992 187 HG SER 22 HG SER 22 -9.974 -3.861 -14.109 188 H THR 23 H THR 23 -6.658 -5.663 -16.177 189 HA THR 23 HA THR 23 -6.358 -2.854 -16.690 190 HB THR 23 HB THR 23 -4.592 -4.058 -15.636 191 HG1 THR 23 HG1 THR 23 -3.939 -3.237 -18.260 192 1HG2 THR 23 1HG2 THR 23 -3.177 -5.680 -16.870 193 2HG2 THR 23 2HG2 THR 23 -4.791 -6.313 -16.555 194 3HG2 THR 23 3HG2 THR 23 -4.369 -5.732 -18.180 195 H ARG 24 H ARG 24 -8.283 -3.250 -18.308 196 HA ARG 24 HA ARG 24 -7.265 -3.367 -21.101 197 1HB ARG 24 2HB ARG 24 -10.051 -3.031 -19.936 198 2HB ARG 24 3HB ARG 24 -9.685 -3.177 -21.658 199 1HG ARG 24 2HG ARG 24 -8.890 -5.431 -21.421 200 2HG ARG 24 3HG ARG 24 -8.932 -5.364 -19.655 201 1HD ARG 24 2HD ARG 24 -11.392 -5.159 -21.427 202 2HD ARG 24 3HD ARG 24 -10.818 -6.613 -20.581 203 HE ARG 24 HE ARG 24 -11.101 -4.396 -18.761 204 1HH1 ARG 24 2HH2 ARG 24 -12.960 -6.860 -20.480 205 2HH1 ARG 24 1HH2 ARG 24 -14.258 -6.893 -19.319 206 1HH2 ARG 24 2HH1 ARG 24 -12.849 -4.340 -17.299 207 2HH2 ARG 24 1HH1 ARG 24 -14.172 -5.454 -17.458 208 H LYS 25 H LYS 25 -8.269 -1.506 -22.454 209 HA LYS 25 HA LYS 25 -7.274 0.985 -21.789 210 1HB LYS 25 2HB LYS 25 -8.040 0.273 -24.040 211 2HB LYS 25 3HB LYS 25 -9.710 0.294 -23.485 212 1HG LYS 25 2HG LYS 25 -9.192 2.273 -24.820 213 2HG LYS 25 3HG LYS 25 -9.669 2.711 -23.186 214 1HD LYS 25 2HD LYS 25 -7.825 4.094 -23.966 215 2HD LYS 25 3HD LYS 25 -7.314 3.148 -22.571 216 1HE LYS 25 2HE LYS 25 -6.126 1.557 -24.065 217 2HE LYS 25 3HE LYS 25 -6.750 2.411 -25.490 218 1HZ LYS 25 1HZ LYS 25 -5.530 4.335 -24.782 219 2HZ LYS 25 2HZ LYS 25 -4.951 3.535 -23.461 220 3HZ LYS 25 3HZ LYS 25 -4.525 3.044 -24.974 221 H ARG 26 H ARG 26 -10.268 -0.500 -20.662 222 HA ARG 26 HA ARG 26 -11.725 1.825 -20.036 223 1HB ARG 26 2HB ARG 26 -13.149 0.599 -18.769 224 2HB ARG 26 3HB ARG 26 -12.614 -0.565 -19.973 225 1HG ARG 26 2HG ARG 26 -11.242 -1.729 -18.316 226 2HG ARG 26 3HG ARG 26 -11.450 -0.427 -17.136 227 1HD ARG 26 2HD ARG 26 -13.914 -0.802 -17.154 228 2HD ARG 26 3HD ARG 26 -13.632 -2.267 -18.127 229 HE ARG 26 HE ARG 26 -12.011 -2.109 -15.707 230 1HH1 ARG 26 2HH1 ARG 26 -15.378 -2.479 -16.609 231 2HH1 ARG 26 1HH1 ARG 26 -15.771 -3.582 -15.318 232 1HH2 ARG 26 2HH2 ARG 26 -12.408 -3.837 -14.191 233 2HH2 ARG 26 1HH2 ARG 26 -14.064 -4.266 -13.842 234 H LEU 27 H LEU 27 -8.840 0.592 -18.451 235 HA LEU 27 HA LEU 27 -9.098 1.622 -15.861 236 1HB LEU 27 2HB LEU 27 -6.827 1.337 -17.814 237 2HB LEU 27 3HB LEU 27 -6.573 2.312 -16.359 238 HG LEU 27 HG LEU 27 -6.924 0.627 -14.874 239 1HD1 LEU 27 1HD1 LEU 27 -7.985 -1.177 -17.077 240 2HD1 LEU 27 2HD1 LEU 27 -7.648 -1.671 -15.409 241 3HD1 LEU 27 3HD1 LEU 27 -8.927 -0.524 -15.729 242 1HD2 LEU 27 1HD2 LEU 27 -5.447 -0.578 -17.261 243 2HD2 LEU 27 2HD2 LEU 27 -4.767 0.579 -16.098 244 3HD2 LEU 27 3HD2 LEU 27 -5.224 -1.044 -15.566 245 H ARG 28 H ARG 28 -8.572 3.530 -18.861 246 HA ARG 28 HA ARG 28 -8.107 5.993 -17.489 247 1HB ARG 28 2HB ARG 28 -7.670 5.626 -19.885 248 2HB ARG 28 3HB ARG 28 -9.393 5.451 -20.206 249 1HG ARG 28 2HG ARG 28 -8.565 7.631 -20.875 250 2HG ARG 28 3HG ARG 28 -9.781 7.820 -19.615 251 1HD ARG 28 2HD ARG 28 -6.819 7.711 -18.943 252 2HD ARG 28 3HD ARG 28 -7.549 9.207 -19.537 253 HE ARG 28 HE ARG 28 -9.268 8.828 -17.628 254 1HH1 ARG 28 2HH2 ARG 28 -5.755 8.363 -17.371 255 2HH1 ARG 28 1HH2 ARG 28 -5.707 8.828 -15.696 256 1HH2 ARG 28 1HH1 ARG 28 -9.203 9.442 -15.536 257 2HH2 ARG 28 2HH1 ARG 28 -7.709 9.461 -14.611 258 H ASP 29 H ASP 29 -11.109 4.756 -18.978 259 HA ASP 29 HA ASP 29 -12.925 6.689 -18.111 260 1HB ASP 29 2HB ASP 29 -13.424 3.694 -18.507 261 2HB ASP 29 3HB ASP 29 -14.633 4.970 -18.570 262 H THR 30 H THR 30 -12.135 3.592 -16.653 263 HA THR 30 HA THR 30 -13.820 3.541 -14.427 264 HB THR 30 HB THR 30 -11.120 2.215 -14.815 265 HG1 THR 30 HG1 THR 30 -12.478 1.724 -16.463 266 1HG2 THR 30 1HG2 THR 30 -11.947 2.064 -12.454 267 2HG2 THR 30 2HG2 THR 30 -13.509 1.469 -13.057 268 3HG2 THR 30 3HG2 THR 30 -12.039 0.503 -13.290 269 H LEU 31 H LEU 31 -10.342 4.580 -14.654 270 HA LEU 31 HA LEU 31 -10.080 5.350 -11.946 271 1HB LEU 31 2HB LEU 31 -8.280 4.922 -13.651 272 2HB LEU 31 3HB LEU 31 -8.579 6.533 -14.314 273 HG LEU 31 HG LEU 31 -7.622 5.775 -11.505 274 1HD1 LEU 31 1HD1 LEU 31 -5.484 6.740 -12.246 275 2HD1 LEU 31 2HD1 LEU 31 -5.979 5.422 -13.323 276 3HD1 LEU 31 3HD1 LEU 31 -6.188 7.111 -13.837 277 1HD2 LEU 31 1HD2 LEU 31 -8.161 8.521 -12.705 278 2HD2 LEU 31 2HD2 LEU 31 -8.745 7.849 -11.160 279 3HD2 LEU 31 3HD2 LEU 31 -7.050 8.267 -11.344 280 H THR 32 H THR 32 -10.812 7.352 -14.873 281 HA THR 32 HA THR 32 -11.095 9.802 -13.532 282 HB THR 32 HB THR 32 -12.803 8.943 -15.909 283 HG1 THR 32 HG1 THR 32 -10.782 8.395 -16.470 284 1HG2 THR 32 1HG2 THR 32 -11.561 11.616 -15.106 285 2HG2 THR 32 2HG2 THR 32 -12.509 11.302 -16.572 286 3HG2 THR 32 3HG2 THR 32 -13.286 11.202 -14.982 287 H SER 33 H SER 33 -13.621 7.359 -14.236 288 HA SER 33 HA SER 33 -15.798 8.742 -13.071 289 1HB SER 33 2HB SER 33 -15.371 5.727 -13.294 290 2HB SER 33 3HB SER 33 -16.913 6.568 -13.047 291 HG SER 33 HG SER 33 -15.187 6.727 -15.301 292 H GLU 34 H GLU 34 -13.574 6.262 -11.630 293 HA GLU 34 HA GLU 34 -14.963 6.342 -9.152 294 1HB GLU 34 2HB GLU 34 -13.317 4.512 -10.042 295 2HB GLU 34 3HB GLU 34 -12.061 5.539 -9.322 296 1HG GLU 34 2HG GLU 34 -12.603 4.349 -7.388 297 2HG GLU 34 3HG GLU 34 -13.889 5.532 -7.293 298 H LYS 35 H LYS 35 -12.042 8.110 -10.307 299 HA LYS 35 HA LYS 35 -11.420 9.492 -7.933 300 1HB LYS 35 2HB LYS 35 -10.140 9.520 -10.100 301 2HB LYS 35 3HB LYS 35 -11.350 10.639 -10.754 302 1HG LYS 35 2HG LYS 35 -10.814 12.150 -8.727 303 2HG LYS 35 3HG LYS 35 -9.447 11.078 -8.409 304 1HD LYS 35 2HD LYS 35 -9.965 12.720 -10.938 305 2HD LYS 35 3HD LYS 35 -8.781 13.077 -9.674 306 1HE LYS 35 2HE LYS 35 -7.629 10.887 -10.202 307 2HE LYS 35 3HE LYS 35 -8.750 10.678 -11.566 308 1HZ LYS 35 1HZ LYS 35 -6.695 11.644 -12.250 309 2HZ LYS 35 2HZ LYS 35 -7.929 12.711 -12.483 310 3HZ LYS 35 3HZ LYS 35 -6.888 12.916 -11.222 311 H SER 36 H SER 36 -13.780 10.295 -10.519 312 HA SER 36 HA SER 36 -14.819 12.640 -9.341 313 1HB SER 36 2HB SER 36 -16.412 10.645 -11.003 314 2HB SER 36 3HB SER 36 -16.746 12.358 -10.741 315 HG SER 36 HG SER 36 -14.456 11.265 -12.046 316 H LYS 37 H LYS 37 -15.935 9.217 -8.900 317 HA LYS 37 HA LYS 37 -17.949 9.762 -6.990 318 1HB LYS 37 2HB LYS 37 -16.134 7.338 -7.283 319 2HB LYS 37 3HB LYS 37 -17.448 7.417 -6.140 320 1HG LYS 37 2HG LYS 37 -17.710 7.678 -9.170 321 2HG LYS 37 3HG LYS 37 -18.030 6.230 -8.228 322 1HD LYS 37 2HD LYS 37 -19.608 8.838 -8.235 323 2HD LYS 37 3HD LYS 37 -20.138 7.243 -8.752 324 1HE LYS 37 2HE LYS 37 -19.599 8.146 -5.883 325 2HE LYS 37 3HE LYS 37 -21.155 7.746 -6.612 326 1HZ LYS 37 1HZ LYS 37 -20.308 5.969 -5.281 327 2HZ LYS 37 2HZ LYS 37 -20.405 5.493 -6.858 328 3HZ LYS 37 3HZ LYS 37 -18.943 5.864 -6.190 329 H ILE 38 H ILE 38 -14.476 9.043 -6.363 330 HA ILE 38 HA ILE 38 -14.536 9.205 -3.557 331 HB ILE 38 HB ILE 38 -12.339 10.016 -5.511 332 1HG1 ILE 38 2HG1 ILE 38 -12.698 7.542 -3.762 333 2HG1 ILE 38 3HG1 ILE 38 -13.077 7.641 -5.486 334 1HG2 ILE 38 1HG2 ILE 38 -12.102 9.616 -2.497 335 2HG2 ILE 38 2HG2 ILE 38 -10.768 9.933 -3.622 336 3HG2 ILE 38 3HG2 ILE 38 -11.963 11.178 -3.330 337 1HD1 ILE 38 1HD1 ILE 38 -10.675 8.206 -5.953 338 2HD1 ILE 38 2HD1 ILE 38 -10.315 7.845 -4.245 339 3HD1 ILE 38 3HD1 ILE 38 -10.956 6.582 -5.299 340 H GLU 39 H GLU 39 -13.834 11.839 -5.904 341 HA GLU 39 HA GLU 39 -13.657 13.894 -3.957 342 1HB GLU 39 2HB GLU 39 -14.359 13.973 -6.919 343 2HB GLU 39 3HB GLU 39 -14.099 15.420 -5.924 344 1HG GLU 39 2HG GLU 39 -11.833 14.683 -5.341 345 2HG GLU 39 3HG GLU 39 -12.039 13.189 -6.260 346 H THR 40 H THR 40 -16.478 12.788 -5.865 347 HA THR 40 HA THR 40 -18.354 14.692 -4.953 348 HB THR 40 HB THR 40 -18.769 11.769 -5.730 349 HG1 THR 40 HG1 THR 40 -17.816 13.021 -7.341 350 1HG2 THR 40 1HG2 THR 40 -20.768 14.061 -5.666 351 2HG2 THR 40 2HG2 THR 40 -21.040 12.438 -6.330 352 3HG2 THR 40 3HG2 THR 40 -20.785 12.640 -4.590 353 H GLU 41 H GLU 41 -17.674 11.409 -3.629 354 HA GLU 41 HA GLU 41 -19.467 11.588 -1.427 355 1HB GLU 41 2HB GLU 41 -16.968 9.924 -1.937 356 2HB GLU 41 3HB GLU 41 -17.996 9.730 -0.505 357 1HG GLU 41 2HG GLU 41 -19.934 9.192 -1.903 358 2HG GLU 41 3HG GLU 41 -19.000 9.491 -3.378 359 H LEU 42 H LEU 42 -15.920 12.157 -1.585 360 HA LEU 42 HA LEU 42 -15.529 12.843 1.113 361 1HB LEU 42 2HB LEU 42 -13.692 12.330 -0.300 362 2HB LEU 42 3HB LEU 42 -14.120 13.556 -1.472 363 HG LEU 42 HG LEU 42 -13.516 15.342 0.152 364 1HD1 LEU 42 1HD1 LEU 42 -12.535 12.997 1.845 365 2HD1 LEU 42 2HD1 LEU 42 -12.215 14.714 2.166 366 3HD1 LEU 42 3HD1 LEU 42 -13.870 14.092 2.275 367 1HD2 LEU 42 1HD2 LEU 42 -11.352 13.270 -0.388 368 2HD2 LEU 42 2HD2 LEU 42 -11.905 14.529 -1.515 369 3HD2 LEU 42 3HD2 LEU 42 -11.087 14.986 -0.010 370 H LYS 43 H LYS 43 -16.168 15.053 -1.671 371 HA LYS 43 HA LYS 43 -16.263 17.432 -0.178 372 1HB LYS 43 2HB LYS 43 -16.112 17.189 -2.651 373 2HB LYS 43 3HB LYS 43 -17.834 16.805 -2.726 374 1HG LYS 43 2HG LYS 43 -16.758 19.361 -1.448 375 2HG LYS 43 3HG LYS 43 -16.989 19.223 -3.187 376 1HD LYS 43 2HD LYS 43 -19.351 18.916 -3.003 377 2HD LYS 43 3HD LYS 43 -19.299 18.775 -1.240 378 1HE LYS 43 2HE LYS 43 -18.467 21.061 -1.025 379 2HE LYS 43 3HE LYS 43 -18.473 21.256 -2.789 380 1HZ LYS 43 1HZ LYS 43 -20.417 22.184 -1.794 381 2HZ LYS 43 2HZ LYS 43 -20.834 20.914 -2.754 382 3HZ LYS 43 3HZ LYS 43 -20.846 20.748 -1.114 383 H ASN 44 H ASN 44 -18.907 15.167 -1.057 384 HA ASN 44 HA ASN 44 -21.082 16.527 0.145 385 1HB ASN 44 2HB ASN 44 -21.072 14.419 -1.335 386 2HB ASN 44 3HB ASN 44 -20.679 13.504 0.140 387 1HD2 ASN 44 1HD2 ASN 44 -22.935 12.806 -1.280 388 2HD2 ASN 44 2HD2 ASN 44 -24.368 13.433 -0.469 389 H LYS 45 H LYS 45 -18.935 14.013 1.563 390 HA LYS 45 HA LYS 45 -20.245 14.064 4.096 391 1HB LYS 45 2HB LYS 45 -17.539 13.003 3.223 392 2HB LYS 45 3HB LYS 45 -18.221 12.775 4.836 393 1HG LYS 45 2HG LYS 45 -19.507 11.801 2.239 394 2HG LYS 45 3HG LYS 45 -18.593 10.816 3.380 395 1HD LYS 45 2HD LYS 45 -20.331 11.580 5.163 396 2HD LYS 45 3HD LYS 45 -21.307 12.136 3.792 397 1HE LYS 45 2HE LYS 45 -20.346 9.288 4.302 398 2HE LYS 45 3HE LYS 45 -22.000 9.901 4.457 399 1HZ LYS 45 1HZ LYS 45 -20.433 9.690 1.986 400 2HZ LYS 45 2HZ LYS 45 -21.736 8.785 2.411 401 3HZ LYS 45 3HZ LYS 45 -21.930 10.392 2.085 402 H MET 46 H MET 46 -17.500 15.998 2.856 403 HA MET 46 HA MET 46 -17.010 17.149 5.517 404 1HB MET 46 2HB MET 46 -16.211 18.041 2.729 405 2HB MET 46 3HB MET 46 -15.731 18.859 4.232 406 1HG MET 46 2HG MET 46 -14.760 16.639 5.002 407 2HG MET 46 3HG MET 46 -15.059 16.024 3.377 408 1HE MET 46 1HE MET 46 -14.203 18.978 1.820 409 2HE MET 46 2HE MET 46 -12.631 18.359 1.281 410 3HE MET 46 3HE MET 46 -14.068 17.308 1.212 411 H GLN 47 H GLN 47 -18.510 18.437 2.510 412 HA GLN 47 HA GLN 47 -19.847 20.578 4.065 413 1HB GLN 47 2HB GLN 47 -19.738 20.009 1.074 414 2HB GLN 47 3HB GLN 47 -20.699 21.268 1.838 415 1HG GLN 47 2HG GLN 47 -18.756 22.337 1.068 416 2HG GLN 47 3HG GLN 47 -18.716 22.314 2.828 417 1HE2 GLN 47 1HE2 GLN 47 -17.808 19.423 0.846 418 2HE2 GLN 47 2HE2 GLN 47 -16.095 19.620 1.158 419 H GLN 48 H GLN 48 -20.842 18.681 5.264 420 HA GLN 48 HA GLN 48 -23.191 17.485 4.031 421 1HB GLN 48 2HB GLN 48 -22.123 17.612 6.858 422 2HB GLN 48 3HB GLN 48 -23.756 17.004 6.536 423 1HG GLN 48 2HG GLN 48 -21.344 15.925 5.045 424 2HG GLN 48 3HG GLN 48 -21.893 15.239 6.583 425 1HE2 GLN 48 1HE2 GLN 48 -22.448 15.456 3.159 426 2HE2 GLN 48 2HE2 GLN 48 -23.839 14.418 3.073 427 H LYS 49 H LYS 49 -23.721 19.398 3.100 428 HA LYS 49 HA LYS 49 -26.124 20.582 4.264 429 1HB LYS 49 2HB LYS 49 -24.456 22.322 4.778 430 2HB LYS 49 3HB LYS 49 -23.853 22.289 3.113 431 1HG LYS 49 2HG LYS 49 -26.080 23.036 2.293 432 2HG LYS 49 3HG LYS 49 -26.683 23.052 3.964 433 1HD LYS 49 2HD LYS 49 -24.975 24.747 4.564 434 2HD LYS 49 3HD LYS 49 -24.363 24.748 2.902 435 1HE LYS 49 2HE LYS 49 -27.219 25.461 3.722 436 2HE LYS 49 3HE LYS 49 -25.932 26.642 3.404 437 1HZ LYS 49 1HZ LYS 49 -27.016 24.734 1.454 438 2HZ LYS 49 2HZ LYS 49 -27.314 26.352 1.507 439 3HZ LYS 49 3HZ LYS 49 -25.796 25.808 1.171 440 H SER 50 H SER 50 -23.739 20.650 1.565 441 HA SER 50 HA SER 50 -25.678 20.270 -0.562 442 1HB SER 50 2HB SER 50 -23.379 19.800 -1.740 443 2HB SER 50 3HB SER 50 -23.743 21.432 -1.155 444 HG SER 50 HG SER 50 -22.351 19.593 0.507 445 H GLN 51 H GLN 51 -26.648 18.453 0.854 446 HA GLN 51 HA GLN 51 -25.354 16.029 1.338 447 1HB GLN 51 2HB GLN 51 -28.300 16.511 0.746 448 2HB GLN 51 3HB GLN 51 -27.641 15.033 1.448 449 1HG GLN 51 2HG GLN 51 -27.583 17.799 2.717 450 2HG GLN 51 3HG GLN 51 -28.579 16.430 3.199 451 1HE2 GLN 51 1HE2 GLN 51 -27.109 14.288 3.602 452 2HE2 GLN 51 2HE2 GLN 51 -25.732 14.627 4.648 453 H LYS 52 H LYS 52 -26.193 17.198 -1.760 454 HA LYS 52 HA LYS 52 -26.362 16.335 -3.832 455 1HB LYS 52 2HB LYS 52 -25.028 13.794 -2.864 456 2HB LYS 52 3HB LYS 52 -25.035 14.463 -4.490 457 1HG LYS 52 2HG LYS 52 -23.626 15.711 -2.087 458 2HG LYS 52 3HG LYS 52 -22.880 14.669 -3.298 459 1HD LYS 52 2HD LYS 52 -23.349 16.339 -5.062 460 2HD LYS 52 3HD LYS 52 -24.181 17.364 -3.878 461 1HE LYS 52 2HE LYS 52 -21.907 18.191 -4.224 462 2HE LYS 52 3HE LYS 52 -22.093 17.597 -2.564 463 1HZ LYS 52 1HZ LYS 52 -20.979 15.589 -3.219 464 2HZ LYS 52 2HZ LYS 52 -20.850 16.112 -4.777 465 3HZ LYS 52 3HZ LYS 52 -20.042 16.889 -3.572 466 H LYS 53 H LYS 53 -28.497 15.940 -1.886 467 HA LYS 53 HA LYS 53 -29.670 13.348 -2.274 468 1HB LYS 53 2HB LYS 53 -30.194 14.806 -0.347 469 2HB LYS 53 3HB LYS 53 -30.897 16.009 -1.446 470 1HG LYS 53 2HG LYS 53 -32.562 14.280 -2.181 471 2HG LYS 53 3HG LYS 53 -31.912 13.167 -0.964 472 1HD LYS 53 2HD LYS 53 -32.542 14.721 0.828 473 2HD LYS 53 3HD LYS 53 -33.068 15.935 -0.353 474 1HE LYS 53 2HE LYS 53 -34.305 13.154 -0.049 475 2HE LYS 53 3HE LYS 53 -34.971 14.647 0.631 476 1HZ LYS 53 1HZ LYS 53 -35.181 15.509 -1.580 477 2HZ LYS 53 2HZ LYS 53 -34.580 14.124 -2.238 478 3HZ LYS 53 3HZ LYS 53 -36.010 14.095 -1.424 479 HA PRO 54 HA PRO 54 -31.185 14.443 -6.424 480 1HB PRO 54 2HB PRO 54 -32.809 12.305 -6.935 481 2HB PRO 54 3HB PRO 54 -31.025 12.179 -6.930 482 1HG PRO 54 2HG PRO 54 -32.924 11.511 -4.662 483 2HG PRO 54 3HG PRO 54 -31.606 10.493 -5.316 484 1HD PRO 54 2HD PRO 54 -31.284 12.038 -3.110 485 2HD PRO 54 3HD PRO 54 -29.947 11.852 -4.287 486 H GLU 55 H GLU 55 -33.081 15.415 -7.239 487 HA GLU 55 HA GLU 55 -34.823 16.622 -5.370 488 1HB GLU 55 2HB GLU 55 -35.109 16.230 -8.392 489 2HB GLU 55 3HB GLU 55 -36.144 17.252 -7.399 490 1HG GLU 55 2HG GLU 55 -34.555 18.697 -8.410 491 2HG GLU 55 3HG GLU 55 -34.161 18.599 -6.691 Start of MODEL 18 1 1H MET 1 H MET 1 -19.075 10.372 10.848 2 HA MET 1 HA MET 1 -18.180 10.517 8.728 3 1HB MET 1 2HB MET 1 -15.867 11.743 10.298 4 2HB MET 1 3HB MET 1 -16.297 12.068 8.615 5 1HG MET 1 2HG MET 1 -17.890 12.774 11.111 6 2HG MET 1 3HG MET 1 -17.051 13.894 10.046 7 1HE MET 1 1HE MET 1 -17.936 12.907 7.109 8 2HE MET 1 2HE MET 1 -19.362 13.949 6.896 9 3HE MET 1 3HE MET 1 -17.896 14.605 7.655 10 H ALA 2 H ALA 2 -15.879 9.278 11.084 11 HA ALA 2 HA ALA 2 -13.810 8.282 9.581 12 1HB ALA 2 1HB ALA 2 -13.881 8.173 12.026 13 2HB ALA 2 2HB ALA 2 -15.141 6.920 11.961 14 3HB ALA 2 3HB ALA 2 -13.511 6.577 11.343 15 H SER 3 H SER 3 -16.826 6.408 10.326 16 HA SER 3 HA SER 3 -16.314 4.153 8.841 17 1HB SER 3 2HB SER 3 -19.032 5.499 9.033 18 2HB SER 3 3HB SER 3 -18.663 3.764 9.019 19 HG SER 3 HG SER 3 -17.598 4.100 11.051 20 H VAL 4 H VAL 4 -17.449 7.334 7.638 21 HA VAL 4 HA VAL 4 -18.159 6.268 5.015 22 HB VAL 4 HB VAL 4 -17.861 9.170 5.839 23 1HG1 VAL 4 1HG1 VAL 4 -19.463 9.509 3.976 24 2HG1 VAL 4 2HG1 VAL 4 -17.936 8.818 3.411 25 3HG1 VAL 4 3HG1 VAL 4 -19.373 7.784 3.582 26 1HG2 VAL 4 1HG2 VAL 4 -19.500 8.131 7.357 27 2HG2 VAL 4 2HG2 VAL 4 -20.310 7.353 5.979 28 3HG2 VAL 4 3HG2 VAL 4 -20.339 9.118 6.160 29 H LEU 5 H LEU 5 -15.466 8.103 6.534 30 HA LEU 5 HA LEU 5 -13.893 8.399 4.148 31 1HB LEU 5 2HB LEU 5 -12.932 7.994 7.007 32 2HB LEU 5 3HB LEU 5 -11.961 8.580 5.656 33 HG LEU 5 HG LEU 5 -14.386 10.014 6.838 34 1HD1 LEU 5 1HD1 LEU 5 -12.732 11.607 7.697 35 2HD1 LEU 5 2HD1 LEU 5 -12.420 9.983 8.333 36 3HD1 LEU 5 3HD1 LEU 5 -11.411 10.630 7.022 37 1HD2 LEU 5 1HD2 LEU 5 -14.198 10.598 4.476 38 2HD2 LEU 5 2HD2 LEU 5 -13.590 11.937 5.450 39 3HD2 LEU 5 3HD2 LEU 5 -12.444 10.848 4.640 40 H GLU 6 H GLU 6 -14.004 5.765 6.568 41 HA GLU 6 HA GLU 6 -12.172 4.004 5.316 42 1HB GLU 6 2HB GLU 6 -14.620 3.467 7.039 43 2HB GLU 6 3HB GLU 6 -13.473 2.218 6.544 44 1HG GLU 6 2HG GLU 6 -11.654 3.275 7.717 45 2HG GLU 6 3HG GLU 6 -12.599 4.726 8.050 46 H GLU 7 H GLU 7 -15.750 4.270 4.890 47 HA GLU 7 HA GLU 7 -16.052 2.274 2.957 48 1HB GLU 7 2HB GLU 7 -17.889 3.499 4.112 49 2HB GLU 7 3HB GLU 7 -17.538 4.934 3.139 50 1HG GLU 7 2HG GLU 7 -19.441 3.793 2.236 51 2HG GLU 7 3HG GLU 7 -18.114 3.698 1.077 52 H LEU 8 H LEU 8 -15.381 5.773 2.397 53 HA LEU 8 HA LEU 8 -15.142 5.609 -0.429 54 1HB LEU 8 2HB LEU 8 -13.856 7.480 1.594 55 2HB LEU 8 3HB LEU 8 -13.751 7.727 -0.151 56 HG LEU 8 HG LEU 8 -16.433 7.510 1.282 57 1HD1 LEU 8 1HD1 LEU 8 -16.488 9.981 1.246 58 2HD1 LEU 8 2HD1 LEU 8 -15.176 9.380 2.272 59 3HD1 LEU 8 3HD1 LEU 8 -14.814 10.010 0.651 60 1HD2 LEU 8 1HD2 LEU 8 -16.485 7.202 -1.195 61 2HD2 LEU 8 2HD2 LEU 8 -17.259 8.706 -0.695 62 3HD2 LEU 8 3HD2 LEU 8 -15.627 8.748 -1.386 63 H GLN 9 H GLN 9 -12.630 5.255 2.123 64 HA GLN 9 HA GLN 9 -10.474 4.816 0.368 65 1HB GLN 9 2HB GLN 9 -10.177 5.271 2.746 66 2HB GLN 9 3HB GLN 9 -10.964 3.748 3.176 67 1HG GLN 9 2HG GLN 9 -8.556 3.570 3.417 68 2HG GLN 9 3HG GLN 9 -9.115 2.460 2.169 69 1HE2 GLN 9 1HE2 GLN 9 -8.759 3.096 -0.133 70 2HE2 GLN 9 2HE2 GLN 9 -7.397 4.160 -0.480 71 H LYS 10 H LYS 10 -12.852 2.478 1.717 72 HA LYS 10 HA LYS 10 -11.632 0.168 0.596 73 1HB LYS 10 2HB LYS 10 -13.262 -0.001 2.386 74 2HB LYS 10 3HB LYS 10 -14.522 0.710 1.374 75 1HG LYS 10 2HG LYS 10 -14.800 -1.688 1.566 76 2HG LYS 10 3HG LYS 10 -14.519 -1.231 -0.114 77 1HD LYS 10 2HD LYS 10 -12.138 -1.946 0.068 78 2HD LYS 10 3HD LYS 10 -12.386 -2.370 1.768 79 1HE LYS 10 2HE LYS 10 -13.796 -3.624 -0.642 80 2HE LYS 10 3HE LYS 10 -12.430 -4.324 0.241 81 1HZ LYS 10 1HZ LYS 10 -15.090 -3.783 1.357 82 2HZ LYS 10 2HZ LYS 10 -14.467 -5.258 0.975 83 3HZ LYS 10 3HZ LYS 10 -13.805 -4.378 2.202 84 H ASP 11 H ASP 11 -14.239 2.336 -0.642 85 HA ASP 11 HA ASP 11 -14.653 0.998 -3.107 86 1HB ASP 11 2HB ASP 11 -16.109 2.818 -2.308 87 2HB ASP 11 3HB ASP 11 -14.802 3.989 -2.534 88 H LEU 12 H LEU 12 -12.379 3.635 -2.308 89 HA LEU 12 HA LEU 12 -11.040 3.930 -4.733 90 1HB LEU 12 2HB LEU 12 -10.872 5.296 -2.668 91 2HB LEU 12 3HB LEU 12 -9.774 4.102 -1.982 92 HG LEU 12 HG LEU 12 -9.248 5.577 -4.598 93 1HD1 LEU 12 1HD1 LEU 12 -8.340 6.253 -1.767 94 2HD1 LEU 12 2HD1 LEU 12 -7.806 7.068 -3.253 95 3HD1 LEU 12 3HD1 LEU 12 -9.496 7.181 -2.745 96 1HD2 LEU 12 1HD2 LEU 12 -7.803 3.628 -4.437 97 2HD2 LEU 12 2HD2 LEU 12 -6.842 5.026 -3.977 98 3HD2 LEU 12 3HD2 LEU 12 -7.472 3.945 -2.719 99 H GLU 13 H GLU 13 -10.230 1.702 -2.017 100 HA GLU 13 HA GLU 13 -8.066 0.366 -3.236 101 1HB GLU 13 2HB GLU 13 -8.708 0.217 -0.839 102 2HB GLU 13 3HB GLU 13 -10.119 -0.754 -1.282 103 1HG GLU 13 2HG GLU 13 -8.617 -2.505 -2.223 104 2HG GLU 13 3HG GLU 13 -7.212 -1.521 -1.775 105 H GLU 14 H GLU 14 -11.568 -0.461 -3.295 106 HA GLU 14 HA GLU 14 -11.354 -2.833 -4.788 107 1HB GLU 14 2HB GLU 14 -13.364 -1.825 -3.541 108 2HB GLU 14 3HB GLU 14 -13.691 -0.882 -4.997 109 1HG GLU 14 2HG GLU 14 -13.525 -3.933 -4.805 110 2HG GLU 14 3HG GLU 14 -15.015 -2.985 -4.828 111 H VAL 15 H VAL 15 -11.960 0.542 -5.977 112 HA VAL 15 HA VAL 15 -11.884 -0.323 -8.696 113 HB VAL 15 HB VAL 15 -13.019 1.707 -8.029 114 1HG1 VAL 15 1HG1 VAL 15 -10.233 2.936 -7.743 115 2HG1 VAL 15 2HG1 VAL 15 -11.755 3.840 -7.805 116 3HG1 VAL 15 3HG1 VAL 15 -11.466 2.715 -6.481 117 1HG2 VAL 15 1HG2 VAL 15 -12.426 2.981 -10.027 118 2HG2 VAL 15 2HG2 VAL 15 -10.863 2.158 -10.128 119 3HG2 VAL 15 3HG2 VAL 15 -12.375 1.244 -10.363 120 H LYS 16 H LYS 16 -9.263 0.797 -6.513 121 HA LYS 16 HA LYS 16 -7.207 0.885 -8.460 122 1HB LYS 16 2HB LYS 16 -7.059 1.629 -6.075 123 2HB LYS 16 3HB LYS 16 -6.953 -0.071 -5.584 124 1HG LYS 16 2HG LYS 16 -4.924 -0.274 -7.120 125 2HG LYS 16 3HG LYS 16 -4.982 1.477 -7.318 126 1HD LYS 16 2HD LYS 16 -4.618 -0.111 -4.729 127 2HD LYS 16 3HD LYS 16 -3.370 0.809 -5.572 128 1HE LYS 16 2HE LYS 16 -5.820 1.939 -4.133 129 2HE LYS 16 3HE LYS 16 -4.132 2.061 -3.631 130 1HZ LYS 16 1HZ LYS 16 -4.854 4.055 -4.674 131 2HZ LYS 16 2HZ LYS 16 -3.697 3.344 -5.609 132 3HZ LYS 16 3HZ LYS 16 -5.285 3.256 -6.048 133 H VAL 17 H VAL 17 -8.436 -1.885 -6.502 134 HA VAL 17 HA VAL 17 -6.740 -3.859 -7.625 135 HB VAL 17 HB VAL 17 -9.494 -4.015 -6.360 136 1HG1 VAL 17 1HG1 VAL 17 -9.399 -5.934 -7.829 137 2HG1 VAL 17 2HG1 VAL 17 -7.731 -6.301 -7.318 138 3HG1 VAL 17 3HG1 VAL 17 -9.085 -6.473 -6.179 139 1HG2 VAL 17 1HG2 VAL 17 -6.733 -4.907 -5.418 140 2HG2 VAL 17 2HG2 VAL 17 -7.511 -3.393 -4.932 141 3HG2 VAL 17 3HG2 VAL 17 -8.241 -4.941 -4.481 142 H LEU 18 H LEU 18 -9.984 -2.717 -8.770 143 HA LEU 18 HA LEU 18 -10.006 -4.394 -11.091 144 1HB LEU 18 2HB LEU 18 -11.194 -1.624 -10.677 145 2HB LEU 18 3HB LEU 18 -11.447 -2.595 -12.123 146 HG LEU 18 HG LEU 18 -12.268 -3.437 -9.314 147 1HD1 LEU 18 1HD1 LEU 18 -13.878 -2.455 -11.708 148 2HD1 LEU 18 2HD1 LEU 18 -14.548 -2.985 -10.147 149 3HD1 LEU 18 3HD1 LEU 18 -13.555 -1.519 -10.232 150 1HD2 LEU 18 1HD2 LEU 18 -12.684 -4.712 -12.064 151 2HD2 LEU 18 2HD2 LEU 18 -11.875 -5.442 -10.657 152 3HD2 LEU 18 3HD2 LEU 18 -13.614 -5.159 -10.617 153 H LEU 19 H LEU 19 -8.696 -1.099 -10.716 154 HA LEU 19 HA LEU 19 -7.760 -0.583 -13.293 155 1HB LEU 19 2HB LEU 19 -7.721 0.817 -11.043 156 2HB LEU 19 3HB LEU 19 -6.133 0.085 -10.823 157 HG LEU 19 HG LEU 19 -5.567 1.022 -13.154 158 1HD1 LEU 19 1HD1 LEU 19 -6.899 3.008 -13.821 159 2HD1 LEU 19 2HD1 LEU 19 -7.963 1.592 -13.784 160 3HD1 LEU 19 3HD1 LEU 19 -8.001 2.753 -12.451 161 1HD2 LEU 19 1HD2 LEU 19 -5.043 3.240 -12.183 162 2HD2 LEU 19 2HD2 LEU 19 -6.120 2.890 -10.812 163 3HD2 LEU 19 3HD2 LEU 19 -4.651 1.920 -11.067 164 H GLU 20 H GLU 20 -6.052 -2.252 -10.607 165 HA GLU 20 HA GLU 20 -3.724 -2.954 -12.094 166 1HB GLU 20 2HB GLU 20 -5.015 -4.217 -9.639 167 2HB GLU 20 3HB GLU 20 -3.429 -4.680 -10.274 168 1HG GLU 20 2HG GLU 20 -2.543 -2.447 -9.908 169 2HG GLU 20 3HG GLU 20 -4.128 -1.828 -9.434 170 H LYS 21 H LYS 21 -6.559 -5.043 -11.240 171 HA LYS 21 HA LYS 21 -5.505 -7.292 -12.649 172 1HB LYS 21 2HB LYS 21 -8.357 -6.652 -11.781 173 2HB LYS 21 3HB LYS 21 -7.795 -8.213 -12.422 174 1HG LYS 21 2HG LYS 21 -6.283 -8.522 -10.545 175 2HG LYS 21 3HG LYS 21 -6.631 -6.901 -9.937 176 1HD LYS 21 2HD LYS 21 -7.831 -8.515 -8.625 177 2HD LYS 21 3HD LYS 21 -8.986 -7.512 -9.506 178 1HE LYS 21 2HE LYS 21 -8.115 -10.208 -10.625 179 2HE LYS 21 3HE LYS 21 -9.321 -10.118 -9.335 180 1HZ LYS 21 1HZ LYS 21 -9.588 -8.782 -11.927 181 2HZ LYS 21 2HZ LYS 21 -10.350 -10.160 -11.454 182 3HZ LYS 21 3HZ LYS 21 -10.669 -8.739 -10.688 183 H SER 22 H SER 22 -8.121 -5.008 -13.561 184 HA SER 22 HA SER 22 -8.490 -6.425 -16.134 185 1HB SER 22 2HB SER 22 -10.023 -4.077 -14.960 186 2HB SER 22 3HB SER 22 -10.506 -5.162 -16.291 187 HG SER 22 HG SER 22 -10.085 -5.906 -13.582 188 H THR 23 H THR 23 -6.063 -5.525 -16.368 189 HA THR 23 HA THR 23 -5.734 -2.761 -16.817 190 HB THR 23 HB THR 23 -3.615 -4.502 -17.930 191 HG1 THR 23 HG1 THR 23 -4.247 -5.097 -15.263 192 1HG2 THR 23 1HG2 THR 23 -3.732 -2.840 -15.378 193 2HG2 THR 23 2HG2 THR 23 -2.277 -3.516 -16.135 194 3HG2 THR 23 3HG2 THR 23 -3.198 -2.253 -16.972 195 H ARG 24 H ARG 24 -7.788 -3.345 -18.531 196 HA ARG 24 HA ARG 24 -6.670 -3.424 -21.292 197 1HB ARG 24 2HB ARG 24 -9.582 -3.299 -20.451 198 2HB ARG 24 3HB ARG 24 -8.923 -3.757 -22.023 199 1HG ARG 24 2HG ARG 24 -8.725 -5.350 -19.427 200 2HG ARG 24 3HG ARG 24 -9.723 -5.705 -20.833 201 1HD ARG 24 2HD ARG 24 -7.590 -5.968 -22.206 202 2HD ARG 24 3HD ARG 24 -6.673 -5.722 -20.721 203 HE ARG 24 HE ARG 24 -7.122 -7.826 -20.020 204 1HH1 ARG 24 2HH2 ARG 24 -9.363 -7.066 -22.643 205 2HH1 ARG 24 1HH2 ARG 24 -9.927 -8.705 -22.831 206 1HH2 ARG 24 2HH1 ARG 24 -7.866 -9.962 -20.230 207 2HH2 ARG 24 1HH1 ARG 24 -9.062 -10.380 -21.427 208 H LYS 25 H LYS 25 -8.327 -1.806 -22.662 209 HA LYS 25 HA LYS 25 -7.392 0.762 -22.430 210 1HB LYS 25 2HB LYS 25 -8.763 -0.289 -24.304 211 2HB LYS 25 3HB LYS 25 -10.208 0.080 -23.330 212 1HG LYS 25 2HG LYS 25 -9.625 2.494 -23.393 213 2HG LYS 25 3HG LYS 25 -8.171 2.118 -24.340 214 1HD LYS 25 2HD LYS 25 -9.594 1.194 -26.153 215 2HD LYS 25 3HD LYS 25 -11.047 1.523 -25.186 216 1HE LYS 25 2HE LYS 25 -10.504 3.955 -25.199 217 2HE LYS 25 3HE LYS 25 -9.064 3.625 -26.183 218 1HZ LYS 25 1HZ LYS 25 -11.840 3.081 -26.971 219 2HZ LYS 25 2HZ LYS 25 -10.903 4.323 -27.512 220 3HZ LYS 25 3HZ LYS 25 -10.504 2.768 -27.884 221 H ARG 26 H ARG 26 -9.980 -0.740 -20.600 222 HA ARG 26 HA ARG 26 -11.518 1.458 -19.899 223 1HB ARG 26 2HB ARG 26 -12.464 0.079 -18.189 224 2HB ARG 26 3HB ARG 26 -12.210 -0.892 -19.635 225 1HG ARG 26 2HG ARG 26 -10.283 -2.012 -18.660 226 2HG ARG 26 3HG ARG 26 -10.225 -0.903 -17.286 227 1HD ARG 26 2HD ARG 26 -12.578 -2.737 -17.817 228 2HD ARG 26 3HD ARG 26 -11.206 -3.070 -16.735 229 HE ARG 26 HE ARG 26 -12.286 -0.502 -16.130 230 1HH1 ARG 26 1HH1 ARG 26 -12.976 -3.932 -15.557 231 2HH1 ARG 26 2HH1 ARG 26 -13.917 -3.602 -14.127 232 1HH2 ARG 26 2HH2 ARG 26 -13.449 -0.077 -14.448 233 2HH2 ARG 26 1HH2 ARG 26 -14.254 -1.303 -13.473 234 H LEU 27 H LEU 27 -8.309 0.861 -18.723 235 HA LEU 27 HA LEU 27 -8.410 1.444 -16.057 236 1HB LEU 27 2HB LEU 27 -6.366 2.483 -18.050 237 2HB LEU 27 3HB LEU 27 -6.167 2.474 -16.288 238 HG LEU 27 HG LEU 27 -6.838 -0.176 -17.481 239 1HD1 LEU 27 1HD1 LEU 27 -4.088 1.127 -17.832 240 2HD1 LEU 27 2HD1 LEU 27 -4.491 -0.573 -18.165 241 3HD1 LEU 27 3HD1 LEU 27 -5.201 0.708 -19.151 242 1HD2 LEU 27 1HD2 LEU 27 -4.840 0.840 -15.417 243 2HD2 LEU 27 2HD2 LEU 27 -6.433 0.095 -15.114 244 3HD2 LEU 27 3HD2 LEU 27 -5.117 -0.853 -15.828 245 H ARG 28 H ARG 28 -7.918 4.035 -18.540 246 HA ARG 28 HA ARG 28 -8.075 6.167 -16.664 247 1HB ARG 28 2HB ARG 28 -8.588 6.082 -19.652 248 2HB ARG 28 3HB ARG 28 -8.514 7.576 -18.718 249 1HG ARG 28 2HG ARG 28 -6.265 7.557 -18.509 250 2HG ARG 28 3HG ARG 28 -6.173 5.820 -18.208 251 1HD ARG 28 2HD ARG 28 -6.672 7.042 -20.953 252 2HD ARG 28 3HD ARG 28 -5.089 6.539 -20.383 253 HE ARG 28 HE ARG 28 -7.379 4.844 -21.161 254 1HH1 ARG 28 2HH2 ARG 28 -4.146 4.888 -19.703 255 2HH1 ARG 28 1HH2 ARG 28 -3.918 3.169 -19.856 256 1HH2 ARG 28 2HH1 ARG 28 -7.191 2.615 -21.095 257 2HH2 ARG 28 1HH1 ARG 28 -5.648 1.855 -20.775 258 H ASP 29 H ASP 29 -10.600 4.677 -18.747 259 HA ASP 29 HA ASP 29 -12.699 6.466 -18.177 260 1HB ASP 29 2HB ASP 29 -12.953 3.446 -18.588 261 2HB ASP 29 3HB ASP 29 -14.193 4.672 -18.856 262 H THR 30 H THR 30 -11.862 3.401 -16.616 263 HA THR 30 HA THR 30 -13.734 3.305 -14.524 264 HB THR 30 HB THR 30 -10.866 2.258 -14.728 265 HG1 THR 30 HG1 THR 30 -12.121 1.475 -16.320 266 1HG2 THR 30 1HG2 THR 30 -13.080 1.445 -12.816 267 2HG2 THR 30 2HG2 THR 30 -11.572 0.536 -13.117 268 3HG2 THR 30 3HG2 THR 30 -11.494 2.157 -12.421 269 H LEU 31 H LEU 31 -10.355 4.519 -14.500 270 HA LEU 31 HA LEU 31 -10.251 5.342 -11.840 271 1HB LEU 31 2HB LEU 31 -8.296 5.125 -13.307 272 2HB LEU 31 3HB LEU 31 -8.868 6.453 -14.320 273 HG LEU 31 HG LEU 31 -8.596 8.029 -12.414 274 1HD1 LEU 31 1HD1 LEU 31 -8.849 6.528 -10.486 275 2HD1 LEU 31 2HD1 LEU 31 -7.441 5.574 -11.011 276 3HD1 LEU 31 3HD1 LEU 31 -7.233 7.243 -10.449 277 1HD2 LEU 31 1HD2 LEU 31 -6.147 8.059 -12.465 278 2HD2 LEU 31 2HD2 LEU 31 -6.124 6.394 -13.091 279 3HD2 LEU 31 3HD2 LEU 31 -6.814 7.709 -14.070 280 H THR 32 H THR 32 -10.948 7.368 -14.734 281 HA THR 32 HA THR 32 -11.431 9.764 -13.333 282 HB THR 32 HB THR 32 -12.687 8.896 -15.979 283 HG1 THR 32 HG1 THR 32 -10.513 8.596 -16.143 284 1HG2 THR 32 1HG2 THR 32 -12.547 11.309 -16.504 285 2HG2 THR 32 2HG2 THR 32 -13.578 11.042 -15.087 286 3HG2 THR 32 3HG2 THR 32 -11.915 11.641 -14.880 287 H SER 33 H SER 33 -13.734 7.257 -14.483 288 HA SER 33 HA SER 33 -16.116 8.470 -13.636 289 1HB SER 33 2HB SER 33 -15.450 5.490 -13.720 290 2HB SER 33 3HB SER 33 -17.072 6.200 -13.619 291 HG SER 33 HG SER 33 -15.190 6.451 -15.722 292 H GLU 34 H GLU 34 -14.144 6.011 -11.785 293 HA GLU 34 HA GLU 34 -15.941 6.326 -9.571 294 1HB GLU 34 2HB GLU 34 -14.492 4.279 -10.147 295 2HB GLU 34 3HB GLU 34 -13.158 5.153 -9.366 296 1HG GLU 34 2HG GLU 34 -14.222 3.685 -7.719 297 2HG GLU 34 3HG GLU 34 -14.617 5.351 -7.299 298 H LYS 35 H LYS 35 -12.701 7.716 -10.288 299 HA LYS 35 HA LYS 35 -12.207 8.959 -7.834 300 1HB LYS 35 2HB LYS 35 -10.614 8.858 -9.684 301 2HB LYS 35 3HB LYS 35 -11.585 10.018 -10.619 302 1HG LYS 35 2HG LYS 35 -11.248 11.709 -8.791 303 2HG LYS 35 3HG LYS 35 -10.244 10.552 -7.920 304 1HD LYS 35 2HD LYS 35 -9.718 11.757 -10.685 305 2HD LYS 35 3HD LYS 35 -8.913 12.219 -9.182 306 1HE LYS 35 2HE LYS 35 -8.675 9.546 -10.635 307 2HE LYS 35 3HE LYS 35 -7.441 10.797 -10.488 308 1HZ LYS 35 1HZ LYS 35 -7.445 10.427 -8.115 309 2HZ LYS 35 2HZ LYS 35 -8.556 9.219 -8.281 310 3HZ LYS 35 3HZ LYS 35 -7.057 9.055 -8.943 311 H SER 36 H SER 36 -14.182 10.192 -10.618 312 HA SER 36 HA SER 36 -14.747 12.685 -9.443 313 1HB SER 36 2HB SER 36 -16.602 12.894 -10.936 314 2HB SER 36 3HB SER 36 -15.272 12.099 -11.795 315 HG SER 36 HG SER 36 -16.367 10.097 -11.384 316 H LYS 37 H LYS 37 -16.656 9.651 -9.141 317 HA LYS 37 HA LYS 37 -18.610 10.674 -7.374 318 1HB LYS 37 2HB LYS 37 -17.618 7.805 -7.341 319 2HB LYS 37 3HB LYS 37 -19.204 8.425 -6.876 320 1HG LYS 37 2HG LYS 37 -18.016 8.156 -9.636 321 2HG LYS 37 3HG LYS 37 -19.416 7.326 -8.985 322 1HD LYS 37 2HD LYS 37 -20.701 9.434 -8.935 323 2HD LYS 37 3HD LYS 37 -19.303 10.341 -9.543 324 1HE LYS 37 2HE LYS 37 -20.690 8.098 -11.063 325 2HE LYS 37 3HE LYS 37 -20.916 9.834 -11.334 326 1HZ LYS 37 1HZ LYS 37 -19.344 8.983 -12.864 327 2HZ LYS 37 2HZ LYS 37 -18.552 9.985 -11.814 328 3HZ LYS 37 3HZ LYS 37 -18.398 8.361 -11.667 329 H ILE 38 H ILE 38 -15.537 8.963 -6.628 330 HA ILE 38 HA ILE 38 -15.750 8.975 -3.824 331 HB ILE 38 HB ILE 38 -13.304 9.185 -5.616 332 1HG1 ILE 38 2HG1 ILE 38 -14.306 6.827 -3.959 333 2HG1 ILE 38 3HG1 ILE 38 -14.811 7.083 -5.627 334 1HG2 ILE 38 1HG2 ILE 38 -13.425 8.686 -2.606 335 2HG2 ILE 38 2HG2 ILE 38 -11.971 8.522 -3.604 336 3HG2 ILE 38 3HG2 ILE 38 -12.699 10.101 -3.395 337 1HD1 ILE 38 1HD1 ILE 38 -11.934 6.644 -4.712 338 2HD1 ILE 38 2HD1 ILE 38 -12.960 5.508 -5.582 339 3HD1 ILE 38 3HD1 ILE 38 -12.443 7.003 -6.377 340 H GLU 39 H GLU 39 -14.179 11.455 -5.920 341 HA GLU 39 HA GLU 39 -13.596 13.266 -3.813 342 1HB GLU 39 2HB GLU 39 -14.008 13.616 -6.808 343 2HB GLU 39 3HB GLU 39 -13.504 14.947 -5.753 344 1HG GLU 39 2HG GLU 39 -11.994 12.298 -5.896 345 2HG GLU 39 3HG GLU 39 -11.614 13.703 -6.904 346 H THR 40 H THR 40 -16.451 13.074 -5.956 347 HA THR 40 HA THR 40 -17.814 15.372 -5.045 348 HB THR 40 HB THR 40 -18.951 12.698 -5.987 349 HG1 THR 40 HG1 THR 40 -17.678 13.673 -7.526 350 1HG2 THR 40 1HG2 THR 40 -20.271 15.436 -5.836 351 2HG2 THR 40 2HG2 THR 40 -20.927 13.989 -6.634 352 3HG2 THR 40 3HG2 THR 40 -20.719 14.003 -4.874 353 H GLU 41 H GLU 41 -18.093 11.965 -3.834 354 HA GLU 41 HA GLU 41 -19.842 12.755 -1.714 355 1HB GLU 41 2HB GLU 41 -18.305 10.238 -2.345 356 2HB GLU 41 3HB GLU 41 -19.147 10.408 -0.794 357 1HG GLU 41 2HG GLU 41 -20.554 10.908 -3.449 358 2HG GLU 41 3HG GLU 41 -20.486 9.320 -2.675 359 H LEU 42 H LEU 42 -16.327 12.159 -1.761 360 HA LEU 42 HA LEU 42 -15.705 12.499 0.925 361 1HB LEU 42 2HB LEU 42 -14.113 11.926 -0.897 362 2HB LEU 42 3HB LEU 42 -14.264 13.555 -1.540 363 HG LEU 42 HG LEU 42 -13.304 14.401 0.677 364 1HD1 LEU 42 1HD1 LEU 42 -11.952 12.722 1.936 365 2HD1 LEU 42 2HD1 LEU 42 -13.677 12.323 2.022 366 3HD1 LEU 42 3HD1 LEU 42 -12.609 11.429 0.916 367 1HD2 LEU 42 1HD2 LEU 42 -11.610 12.600 -1.101 368 2HD2 LEU 42 2HD2 LEU 42 -12.011 14.303 -1.408 369 3HD2 LEU 42 3HD2 LEU 42 -10.996 13.871 -0.022 370 H LYS 43 H LYS 43 -15.931 15.119 -1.563 371 HA LYS 43 HA LYS 43 -15.661 17.217 0.363 372 1HB LYS 43 2HB LYS 43 -16.809 17.195 -2.448 373 2HB LYS 43 3HB LYS 43 -16.529 18.667 -1.509 374 1HG LYS 43 2HG LYS 43 -14.191 16.791 -1.898 375 2HG LYS 43 3HG LYS 43 -14.771 17.723 -3.273 376 1HD LYS 43 2HD LYS 43 -13.001 18.957 -2.228 377 2HD LYS 43 3HD LYS 43 -14.514 19.842 -2.035 378 1HE LYS 43 2HE LYS 43 -14.671 19.167 0.308 379 2HE LYS 43 3HE LYS 43 -13.276 18.073 0.127 380 1HZ LYS 43 1HZ LYS 43 -13.268 21.004 -0.072 381 2HZ LYS 43 2HZ LYS 43 -12.646 20.094 1.145 382 3HZ LYS 43 3HZ LYS 43 -11.957 20.040 -0.352 383 H ASN 44 H ASN 44 -18.553 15.765 -1.192 384 HA ASN 44 HA ASN 44 -20.522 17.432 -0.138 385 1HB ASN 44 2HB ASN 44 -20.938 15.677 -1.808 386 2HB ASN 44 3HB ASN 44 -20.622 14.441 -0.574 387 1HD2 ASN 44 1HD2 ASN 44 -22.716 13.513 -0.963 388 2HD2 ASN 44 2HD2 ASN 44 -24.141 14.317 -0.316 389 H LYS 45 H LYS 45 -18.910 14.611 1.393 390 HA LYS 45 HA LYS 45 -20.579 14.727 3.752 391 1HB LYS 45 2HB LYS 45 -18.002 13.260 3.120 392 2HB LYS 45 3HB LYS 45 -18.929 13.023 4.606 393 1HG LYS 45 2HG LYS 45 -20.184 12.681 1.848 394 2HG LYS 45 3HG LYS 45 -19.329 11.379 2.659 395 1HD LYS 45 2HD LYS 45 -20.897 11.514 4.575 396 2HD LYS 45 3HD LYS 45 -21.759 12.856 3.810 397 1HE LYS 45 2HE LYS 45 -21.489 10.069 2.593 398 2HE LYS 45 3HE LYS 45 -22.893 10.657 3.498 399 1HZ LYS 45 1HZ LYS 45 -21.879 11.821 1.002 400 2HZ LYS 45 2HZ LYS 45 -23.202 10.862 1.154 401 3HZ LYS 45 3HZ LYS 45 -23.184 12.357 1.855 402 H MET 46 H MET 46 -17.107 15.690 3.184 403 HA MET 46 HA MET 46 -17.028 16.636 5.944 404 1HB MET 46 2HB MET 46 -14.770 17.144 5.642 405 2HB MET 46 3HB MET 46 -15.110 15.602 4.846 406 1HG MET 46 2HG MET 46 -15.106 16.771 2.650 407 2HG MET 46 3HG MET 46 -14.799 18.308 3.458 408 1HE MET 46 1HE MET 46 -13.408 14.708 2.975 409 2HE MET 46 2HE MET 46 -11.682 14.917 3.375 410 3HE MET 46 3HE MET 46 -12.906 14.993 4.658 411 H GLN 47 H GLN 47 -17.484 18.225 2.836 412 HA GLN 47 HA GLN 47 -17.262 20.929 4.088 413 1HB GLN 47 2HB GLN 47 -15.670 20.243 2.298 414 2HB GLN 47 3HB GLN 47 -17.023 20.089 1.168 415 1HG GLN 47 2HG GLN 47 -17.492 22.496 1.375 416 2HG GLN 47 3HG GLN 47 -16.237 22.643 2.621 417 1HE2 GLN 47 1HE2 GLN 47 -16.759 21.801 -0.852 418 2HE2 GLN 47 2HE2 GLN 47 -15.082 22.098 -1.309 419 H GLN 48 H GLN 48 -19.190 18.968 1.816 420 HA GLN 48 HA GLN 48 -21.350 18.942 1.254 421 1HB GLN 48 2HB GLN 48 -21.450 19.146 3.868 422 2HB GLN 48 3HB GLN 48 -22.155 20.729 3.545 423 1HG GLN 48 2HG GLN 48 -23.179 17.985 2.703 424 2HG GLN 48 3HG GLN 48 -23.914 19.113 3.837 425 1HE2 GLN 48 2HE2 GLN 48 -23.802 18.075 0.538 426 2HE2 GLN 48 1HE2 GLN 48 -24.778 19.388 -0.110 427 H LYS 49 H LYS 49 -21.051 22.250 2.450 428 HA LYS 49 HA LYS 49 -22.970 23.558 1.205 429 1HB LYS 49 2HB LYS 49 -21.065 24.377 2.722 430 2HB LYS 49 3HB LYS 49 -20.175 24.773 1.255 431 1HG LYS 49 2HG LYS 49 -22.921 25.850 2.071 432 2HG LYS 49 3HG LYS 49 -21.373 26.666 2.324 433 1HD LYS 49 2HD LYS 49 -21.030 26.598 -0.213 434 2HD LYS 49 3HD LYS 49 -22.734 26.114 -0.347 435 1HE LYS 49 2HE LYS 49 -21.712 28.673 0.961 436 2HE LYS 49 3HE LYS 49 -22.460 28.539 -0.638 437 1HZ LYS 49 1HZ LYS 49 -23.763 27.894 1.910 438 2HZ LYS 49 2HZ LYS 49 -24.031 29.232 0.990 439 3HZ LYS 49 3HZ LYS 49 -24.449 27.745 0.420 440 H SER 50 H SER 50 -19.808 23.096 -0.445 441 HA SER 50 HA SER 50 -21.207 22.798 -2.985 442 1HB SER 50 2HB SER 50 -20.714 25.235 -2.959 443 2HB SER 50 3HB SER 50 -19.012 24.886 -2.608 444 HG SER 50 HG SER 50 -20.490 24.280 -4.957 445 H GLN 51 H GLN 51 -20.099 21.269 -4.211 446 HA GLN 51 HA GLN 51 -18.026 19.805 -2.738 447 1HB GLN 51 2HB GLN 51 -19.385 19.097 -5.362 448 2HB GLN 51 3HB GLN 51 -18.333 18.073 -4.378 449 1HG GLN 51 2HG GLN 51 -20.470 17.361 -3.777 450 2HG GLN 51 3HG GLN 51 -20.023 18.431 -2.445 451 1HE2 GLN 51 2HE2 GLN 51 -21.696 19.999 -1.890 452 2HE2 GLN 51 1HE2 GLN 51 -22.902 20.464 -3.054 453 H LYS 52 H LYS 52 -16.766 21.927 -3.061 454 HA LYS 52 HA LYS 52 -15.575 22.443 -5.642 455 1HB LYS 52 2HB LYS 52 -14.782 23.377 -2.860 456 2HB LYS 52 3HB LYS 52 -14.090 23.955 -4.383 457 1HG LYS 52 2HG LYS 52 -16.236 24.833 -5.119 458 2HG LYS 52 3HG LYS 52 -17.069 24.087 -3.757 459 1HD LYS 52 2HD LYS 52 -16.802 26.449 -3.333 460 2HD LYS 52 3HD LYS 52 -15.848 25.522 -2.161 461 1HE LYS 52 2HE LYS 52 -13.779 26.006 -3.423 462 2HE LYS 52 3HE LYS 52 -14.717 26.815 -4.694 463 1HZ LYS 52 1HZ LYS 52 -13.740 28.356 -3.176 464 2HZ LYS 52 2HZ LYS 52 -15.381 28.434 -3.070 465 3HZ LYS 52 3HZ LYS 52 -14.513 27.673 -1.892 466 H LYS 53 H LYS 53 -14.967 20.249 -6.132 467 HA LYS 53 HA LYS 53 -12.899 18.764 -4.987 468 1HB LYS 53 2HB LYS 53 -13.393 19.271 -7.948 469 2HB LYS 53 3HB LYS 53 -12.426 17.953 -7.269 470 1HG LYS 53 2HG LYS 53 -14.454 17.095 -6.090 471 2HG LYS 53 3HG LYS 53 -15.419 18.380 -6.836 472 1HD LYS 53 2HD LYS 53 -14.872 17.554 -9.089 473 2HD LYS 53 3HD LYS 53 -13.818 16.308 -8.403 474 1HE LYS 53 2HE LYS 53 -15.984 15.337 -9.021 475 2HE LYS 53 3HE LYS 53 -15.746 15.260 -7.271 476 1HZ LYS 53 1HZ LYS 53 -17.923 15.950 -7.802 477 2HZ LYS 53 2HZ LYS 53 -17.142 17.198 -7.066 478 3HZ LYS 53 3HZ LYS 53 -17.386 17.235 -8.696 479 HA PRO 54 HA PRO 54 -9.284 21.495 -5.294 480 1HB PRO 54 2HB PRO 54 -7.906 18.868 -5.923 481 2HB PRO 54 3HB PRO 54 -7.351 20.185 -4.851 482 1HG PRO 54 2HG PRO 54 -8.503 17.978 -3.778 483 2HG PRO 54 3HG PRO 54 -8.988 19.597 -3.190 484 1HD PRO 54 2HD PRO 54 -10.442 17.824 -5.166 485 2HD PRO 54 3HD PRO 54 -11.077 18.769 -3.784 486 H GLU 55 H GLU 55 -9.769 18.913 -7.663 487 HA GLU 55 HA GLU 55 -8.227 19.904 -9.803 488 1HB GLU 55 2HB GLU 55 -10.887 18.423 -10.040 489 2HB GLU 55 3HB GLU 55 -9.573 18.474 -11.220 490 1HG GLU 55 2HG GLU 55 -9.564 17.071 -8.505 491 2HG GLU 55 3HG GLU 55 -9.502 16.342 -10.105 Start of MODEL 19 1 1H MET 1 H MET 1 -18.696 10.544 11.415 2 HA MET 1 HA MET 1 -18.913 9.339 9.430 3 1HB MET 1 2HB MET 1 -17.000 11.577 8.648 4 2HB MET 1 3HB MET 1 -18.064 10.689 7.542 5 1HG MET 1 2HG MET 1 -20.035 11.459 8.893 6 2HG MET 1 3HG MET 1 -18.949 12.497 9.826 7 1HE MET 1 1HE MET 1 -17.824 15.114 7.131 8 2HE MET 1 2HE MET 1 -17.632 14.547 8.804 9 3HE MET 1 3HE MET 1 -16.973 13.590 7.450 10 H ALA 2 H ALA 2 -16.260 8.807 11.109 11 HA ALA 2 HA ALA 2 -14.144 7.978 9.597 12 1HB ALA 2 1HB ALA 2 -15.385 6.460 11.934 13 2HB ALA 2 2HB ALA 2 -13.732 6.251 11.319 14 3HB ALA 2 3HB ALA 2 -14.220 7.798 12.041 15 H SER 3 H SER 3 -17.016 5.873 10.284 16 HA SER 3 HA SER 3 -16.370 3.697 8.749 17 1HB SER 3 2HB SER 3 -19.165 4.877 8.943 18 2HB SER 3 3HB SER 3 -18.689 3.167 8.917 19 HG SER 3 HG SER 3 -17.673 3.540 10.962 20 H VAL 4 H VAL 4 -17.706 6.828 7.608 21 HA VAL 4 HA VAL 4 -18.326 5.807 4.948 22 HB VAL 4 HB VAL 4 -18.100 8.686 5.860 23 1HG1 VAL 4 1HG1 VAL 4 -19.530 7.410 3.498 24 2HG1 VAL 4 2HG1 VAL 4 -19.570 9.128 3.949 25 3HG1 VAL 4 3HG1 VAL 4 -18.055 8.397 3.415 26 1HG2 VAL 4 1HG2 VAL 4 -20.585 8.599 6.077 27 2HG2 VAL 4 2HG2 VAL 4 -20.530 6.841 5.822 28 3HG2 VAL 4 3HG2 VAL 4 -19.787 7.564 7.266 29 H LEU 5 H LEU 5 -15.724 7.737 6.536 30 HA LEU 5 HA LEU 5 -14.164 8.153 4.169 31 1HB LEU 5 2HB LEU 5 -13.179 7.760 7.023 32 2HB LEU 5 3HB LEU 5 -12.247 8.430 5.685 33 HG LEU 5 HG LEU 5 -14.763 9.683 6.884 34 1HD1 LEU 5 1HD1 LEU 5 -11.834 10.484 7.092 35 2HD1 LEU 5 2HD1 LEU 5 -13.216 11.366 7.776 36 3HD1 LEU 5 3HD1 LEU 5 -12.805 9.753 8.387 37 1HD2 LEU 5 1HD2 LEU 5 -14.085 11.678 5.529 38 2HD2 LEU 5 2HD2 LEU 5 -12.870 10.674 4.709 39 3HD2 LEU 5 3HD2 LEU 5 -14.605 10.319 4.531 40 H GLU 6 H GLU 6 -14.106 5.479 6.539 41 HA GLU 6 HA GLU 6 -12.170 3.844 5.271 42 1HB GLU 6 2HB GLU 6 -14.624 3.130 6.927 43 2HB GLU 6 3HB GLU 6 -13.385 1.967 6.444 44 1HG GLU 6 2HG GLU 6 -11.679 3.093 7.705 45 2HG GLU 6 3HG GLU 6 -12.708 4.492 8.018 46 H GLU 7 H GLU 7 -15.752 3.903 4.830 47 HA GLU 7 HA GLU 7 -15.920 1.932 2.857 48 1HB GLU 7 2HB GLU 7 -17.823 2.977 4.073 49 2HB GLU 7 3HB GLU 7 -17.601 4.463 3.140 50 1HG GLU 7 2HG GLU 7 -19.437 3.187 2.264 51 2HG GLU 7 3HG GLU 7 -18.148 3.285 1.061 52 H LEU 8 H LEU 8 -15.460 5.476 2.380 53 HA LEU 8 HA LEU 8 -15.278 5.373 -0.465 54 1HB LEU 8 2HB LEU 8 -14.101 7.310 1.562 55 2HB LEU 8 3HB LEU 8 -14.041 7.570 -0.182 56 HG LEU 8 HG LEU 8 -16.652 7.223 1.360 57 1HD1 LEU 8 1HD1 LEU 8 -15.440 9.224 2.149 58 2HD1 LEU 8 2HD1 LEU 8 -15.248 9.775 0.469 59 3HD1 LEU 8 3HD1 LEU 8 -16.865 9.676 1.197 60 1HD2 LEU 8 1HD2 LEU 8 -16.897 6.754 -1.052 61 2HD2 LEU 8 2HD2 LEU 8 -17.638 8.303 -0.651 62 3HD2 LEU 8 3HD2 LEU 8 -16.052 8.268 -1.442 63 H GLN 9 H GLN 9 -12.708 5.165 2.052 64 HA GLN 9 HA GLN 9 -10.537 4.904 0.263 65 1HB GLN 9 2HB GLN 9 -10.400 5.269 2.713 66 2HB GLN 9 3HB GLN 9 -10.815 3.580 3.006 67 1HG GLN 9 2HG GLN 9 -8.455 4.267 1.211 68 2HG GLN 9 3HG GLN 9 -8.316 4.446 2.955 69 1HE2 GLN 9 2HE2 GLN 9 -8.951 1.985 0.405 70 2HE2 GLN 9 1HE2 GLN 9 -8.352 0.651 1.385 71 H LYS 10 H LYS 10 -12.742 2.397 1.608 72 HA LYS 10 HA LYS 10 -11.457 0.189 0.375 73 1HB LYS 10 2HB LYS 10 -13.080 -0.086 2.154 74 2HB LYS 10 3HB LYS 10 -14.378 0.558 1.127 75 1HG LYS 10 2HG LYS 10 -14.218 -1.316 -0.411 76 2HG LYS 10 3HG LYS 10 -12.707 -1.864 0.337 77 1HD LYS 10 2HD LYS 10 -14.524 -3.263 1.025 78 2HD LYS 10 3HD LYS 10 -13.876 -2.364 2.415 79 1HE LYS 10 2HE LYS 10 -15.787 -0.783 2.316 80 2HE LYS 10 3HE LYS 10 -16.379 -1.557 0.835 81 1HZ LYS 10 1HZ LYS 10 -16.185 -2.819 3.478 82 2HZ LYS 10 2HZ LYS 10 -17.561 -2.262 2.764 83 3HZ LYS 10 3HZ LYS 10 -16.753 -3.540 2.107 84 H ASP 11 H ASP 11 -14.184 2.264 -0.793 85 HA ASP 11 HA ASP 11 -14.512 0.957 -3.273 86 1HB ASP 11 2HB ASP 11 -16.015 2.724 -2.346 87 2HB ASP 11 3HB ASP 11 -14.799 3.946 -2.754 88 H LEU 12 H LEU 12 -12.325 3.651 -2.402 89 HA LEU 12 HA LEU 12 -10.916 3.967 -4.794 90 1HB LEU 12 2HB LEU 12 -10.751 5.120 -2.413 91 2HB LEU 12 3HB LEU 12 -9.389 4.015 -2.209 92 HG LEU 12 HG LEU 12 -9.752 6.061 -4.444 93 1HD1 LEU 12 1HD1 LEU 12 -9.341 7.050 -2.217 94 2HD1 LEU 12 2HD1 LEU 12 -7.902 6.025 -2.021 95 3HD1 LEU 12 3HD1 LEU 12 -7.947 7.272 -3.286 96 1HD2 LEU 12 1HD2 LEU 12 -7.305 5.584 -4.879 97 2HD2 LEU 12 2HD2 LEU 12 -7.447 4.158 -3.831 98 3HD2 LEU 12 3HD2 LEU 12 -8.390 4.275 -5.337 99 H GLU 13 H GLU 13 -10.444 1.524 -2.162 100 HA GLU 13 HA GLU 13 -8.123 0.328 -3.287 101 1HB GLU 13 2HB GLU 13 -9.234 0.164 -0.925 102 2HB GLU 13 3HB GLU 13 -10.137 -1.195 -1.604 103 1HG GLU 13 2HG GLU 13 -8.038 -2.364 -2.098 104 2HG GLU 13 3HG GLU 13 -7.094 -0.950 -1.592 105 H GLU 14 H GLU 14 -11.622 -0.358 -3.667 106 HA GLU 14 HA GLU 14 -11.360 -2.648 -5.334 107 1HB GLU 14 2HB GLU 14 -13.586 -0.572 -5.240 108 2HB GLU 14 3HB GLU 14 -13.648 -2.091 -6.131 109 1HG GLU 14 2HG GLU 14 -13.407 -3.396 -4.091 110 2HG GLU 14 3HG GLU 14 -13.163 -1.940 -3.122 111 H VAL 15 H VAL 15 -11.775 0.843 -6.349 112 HA VAL 15 HA VAL 15 -11.386 0.152 -9.096 113 HB VAL 15 HB VAL 15 -12.351 2.209 -8.782 114 1HG1 VAL 15 1HG1 VAL 15 -9.857 3.199 -7.331 115 2HG1 VAL 15 2HG1 VAL 15 -11.256 4.188 -7.797 116 3HG1 VAL 15 3HG1 VAL 15 -11.459 2.898 -6.611 117 1HG2 VAL 15 1HG2 VAL 15 -10.757 1.947 -10.714 118 2HG2 VAL 15 2HG2 VAL 15 -11.125 3.617 -10.241 119 3HG2 VAL 15 3HG2 VAL 15 -9.573 2.890 -9.789 120 H LYS 16 H LYS 16 -8.933 0.968 -6.583 121 HA LYS 16 HA LYS 16 -6.714 0.972 -8.327 122 1HB LYS 16 2HB LYS 16 -6.756 1.615 -5.916 123 2HB LYS 16 3HB LYS 16 -6.758 -0.105 -5.481 124 1HG LYS 16 2HG LYS 16 -4.603 -0.359 -6.795 125 2HG LYS 16 3HG LYS 16 -4.600 1.392 -7.041 126 1HD LYS 16 2HD LYS 16 -4.516 -0.063 -4.351 127 2HD LYS 16 3HD LYS 16 -3.142 0.696 -5.174 128 1HE LYS 16 2HE LYS 16 -4.355 2.916 -5.030 129 2HE LYS 16 3HE LYS 16 -5.599 2.121 -4.044 130 1HZ LYS 16 1HZ LYS 16 -3.969 3.189 -2.704 131 2HZ LYS 16 2HZ LYS 16 -3.914 1.559 -2.464 132 3HZ LYS 16 3HZ LYS 16 -2.752 2.300 -3.372 133 H VAL 17 H VAL 17 -8.156 -1.811 -6.546 134 HA VAL 17 HA VAL 17 -6.483 -3.831 -7.607 135 HB VAL 17 HB VAL 17 -9.336 -3.853 -6.566 136 1HG1 VAL 17 1HG1 VAL 17 -7.640 -6.232 -7.425 137 2HG1 VAL 17 2HG1 VAL 17 -9.092 -6.339 -6.405 138 3HG1 VAL 17 3HG1 VAL 17 -9.235 -5.759 -8.066 139 1HG2 VAL 17 1HG2 VAL 17 -6.725 -4.950 -5.424 140 2HG2 VAL 17 2HG2 VAL 17 -7.424 -3.390 -4.971 141 3HG2 VAL 17 3HG2 VAL 17 -8.301 -4.883 -4.609 142 H LEU 18 H LEU 18 -9.659 -2.635 -8.879 143 HA LEU 18 HA LEU 18 -9.606 -4.280 -11.214 144 1HB LEU 18 2HB LEU 18 -10.823 -1.517 -10.812 145 2HB LEU 18 3HB LEU 18 -11.055 -2.520 -12.243 146 HG LEU 18 HG LEU 18 -12.026 -3.144 -9.430 147 1HD1 LEU 18 1HD1 LEU 18 -13.415 -2.654 -12.101 148 2HD1 LEU 18 2HD1 LEU 18 -14.226 -2.976 -10.550 149 3HD1 LEU 18 3HD1 LEU 18 -13.299 -1.478 -10.772 150 1HD2 LEU 18 1HD2 LEU 18 -13.131 -5.131 -10.529 151 2HD2 LEU 18 2HD2 LEU 18 -12.095 -4.871 -11.947 152 3HD2 LEU 18 3HD2 LEU 18 -11.384 -5.294 -10.369 153 H LEU 19 H LEU 19 -8.103 -1.100 -10.609 154 HA LEU 19 HA LEU 19 -7.389 -0.496 -13.227 155 1HB LEU 19 2HB LEU 19 -7.124 0.929 -11.048 156 2HB LEU 19 3HB LEU 19 -5.589 0.086 -10.848 157 HG LEU 19 HG LEU 19 -5.137 0.908 -13.321 158 1HD1 LEU 19 1HD1 LEU 19 -7.124 3.002 -12.304 159 2HD1 LEU 19 2HD1 LEU 19 -6.224 3.049 -13.833 160 3HD1 LEU 19 3HD1 LEU 19 -7.497 1.838 -13.582 161 1HD2 LEU 19 1HD2 LEU 19 -4.159 2.991 -12.399 162 2HD2 LEU 19 2HD2 LEU 19 -5.083 2.756 -10.899 163 3HD2 LEU 19 3HD2 LEU 19 -3.827 1.590 -11.366 164 H GLU 20 H GLU 20 -5.579 -2.292 -10.719 165 HA GLU 20 HA GLU 20 -3.377 -3.009 -12.420 166 1HB GLU 20 2HB GLU 20 -4.415 -4.458 -9.941 167 2HB GLU 20 3HB GLU 20 -2.822 -4.645 -10.690 168 1HG GLU 20 2HG GLU 20 -3.901 -2.158 -9.295 169 2HG GLU 20 3HG GLU 20 -2.609 -3.219 -8.747 170 H LYS 21 H LYS 21 -6.339 -4.852 -11.495 171 HA LYS 21 HA LYS 21 -5.437 -7.182 -12.916 172 1HB LYS 21 2HB LYS 21 -8.180 -6.431 -11.838 173 2HB LYS 21 3HB LYS 21 -7.750 -8.004 -12.534 174 1HG LYS 21 2HG LYS 21 -5.985 -8.302 -10.807 175 2HG LYS 21 3HG LYS 21 -6.394 -6.735 -10.116 176 1HD LYS 21 2HD LYS 21 -7.443 -8.478 -8.796 177 2HD LYS 21 3HD LYS 21 -8.675 -7.494 -9.594 178 1HE LYS 21 2HE LYS 21 -9.209 -9.918 -9.612 179 2HE LYS 21 3HE LYS 21 -9.107 -9.249 -11.239 180 1HZ LYS 21 1HZ LYS 21 -6.978 -10.753 -9.876 181 2HZ LYS 21 2HZ LYS 21 -7.985 -11.349 -11.036 182 3HZ LYS 21 3HZ LYS 21 -6.908 -10.161 -11.414 183 H SER 22 H SER 22 -8.012 -4.820 -13.736 184 HA SER 22 HA SER 22 -9.165 -6.182 -15.831 185 1HB SER 22 2HB SER 22 -8.858 -3.156 -15.640 186 2HB SER 22 3HB SER 22 -10.062 -4.059 -16.581 187 HG SER 22 HG SER 22 -9.750 -3.859 -13.789 188 H THR 23 H THR 23 -6.405 -3.956 -16.095 189 HA THR 23 HA THR 23 -4.898 -3.555 -17.632 190 HB THR 23 HB THR 23 -5.527 -6.338 -18.753 191 HG1 THR 23 HG1 THR 23 -5.175 -6.418 -16.496 192 1HG2 THR 23 1HG2 THR 23 -2.956 -4.697 -18.697 193 2HG2 THR 23 2HG2 THR 23 -3.109 -6.370 -19.268 194 3HG2 THR 23 3HG2 THR 23 -3.924 -5.062 -20.145 195 H ARG 24 H ARG 24 -7.668 -4.941 -19.433 196 HA ARG 24 HA ARG 24 -7.286 -3.428 -21.823 197 1HB ARG 24 2HB ARG 24 -9.913 -4.129 -20.433 198 2HB ARG 24 3HB ARG 24 -9.703 -3.744 -22.144 199 1HG ARG 24 2HG ARG 24 -8.641 -6.225 -20.696 200 2HG ARG 24 3HG ARG 24 -10.020 -6.144 -21.779 201 1HD ARG 24 2HD ARG 24 -8.461 -5.441 -23.653 202 2HD ARG 24 3HD ARG 24 -7.111 -5.600 -22.527 203 HE ARG 24 HE ARG 24 -7.137 -7.849 -22.696 204 1HH1 ARG 24 2HH1 ARG 24 -10.187 -6.644 -24.012 205 2HH1 ARG 24 1HH1 ARG 24 -10.673 -8.183 -24.673 206 1HH2 ARG 24 1HH2 ARG 24 -7.761 -9.861 -23.542 207 2HH2 ARG 24 2HH2 ARG 24 -9.270 -10.044 -24.390 208 H LYS 25 H LYS 25 -8.068 -1.337 -22.374 209 HA LYS 25 HA LYS 25 -7.459 0.596 -20.479 210 1HB LYS 25 2HB LYS 25 -8.618 0.652 -23.267 211 2HB LYS 25 3HB LYS 25 -8.433 2.165 -22.374 212 1HG LYS 25 2HG LYS 25 -6.115 1.842 -22.007 213 2HG LYS 25 3HG LYS 25 -6.147 0.210 -22.721 214 1HD LYS 25 2HD LYS 25 -6.786 1.178 -24.921 215 2HD LYS 25 3HD LYS 25 -6.856 2.793 -24.201 216 1HE LYS 25 2HE LYS 25 -4.762 2.524 -25.424 217 2HE LYS 25 3HE LYS 25 -4.431 2.702 -23.695 218 1HZ LYS 25 1HZ LYS 25 -4.507 0.158 -25.167 219 2HZ LYS 25 2HZ LYS 25 -3.144 0.962 -24.707 220 3HZ LYS 25 3HZ LYS 25 -4.154 0.335 -23.566 221 H ARG 26 H ARG 26 -10.030 -0.931 -19.665 222 HA ARG 26 HA ARG 26 -11.985 1.243 -19.404 223 1HB ARG 26 2HB ARG 26 -13.095 -0.113 -17.812 224 2HB ARG 26 3HB ARG 26 -12.794 -1.052 -19.260 225 1HG ARG 26 2HG ARG 26 -11.151 -2.412 -18.230 226 2HG ARG 26 3HG ARG 26 -10.888 -1.288 -16.886 227 1HD ARG 26 2HD ARG 26 -13.472 -2.819 -17.346 228 2HD ARG 26 3HD ARG 26 -12.215 -3.250 -16.167 229 HE ARG 26 HE ARG 26 -12.920 -0.549 -15.713 230 1HH1 ARG 26 1HH1 ARG 26 -14.315 -3.767 -15.296 231 2HH1 ARG 26 2HH1 ARG 26 -15.493 -3.236 -14.121 232 1HH2 ARG 26 2HH2 ARG 26 -14.366 0.151 -14.310 233 2HH2 ARG 26 1HH2 ARG 26 -15.501 -0.909 -13.480 234 H LEU 27 H LEU 27 -8.983 0.285 -17.964 235 HA LEU 27 HA LEU 27 -8.815 1.294 -15.453 236 1HB LEU 27 2HB LEU 27 -6.983 1.588 -17.872 237 2HB LEU 27 3HB LEU 27 -6.604 2.422 -16.367 238 HG LEU 27 HG LEU 27 -6.666 0.275 -15.139 239 1HD1 LEU 27 1HD1 LEU 27 -6.389 -1.810 -16.384 240 2HD1 LEU 27 2HD1 LEU 27 -7.979 -1.115 -16.722 241 3HD1 LEU 27 3HD1 LEU 27 -6.655 -0.953 -17.912 242 1HD2 LEU 27 1HD2 LEU 27 -4.674 0.498 -17.434 243 2HD2 LEU 27 2HD2 LEU 27 -4.560 1.338 -15.871 244 3HD2 LEU 27 3HD2 LEU 27 -4.434 -0.428 -15.939 245 H ARG 28 H ARG 28 -8.480 3.361 -18.374 246 HA ARG 28 HA ARG 28 -8.117 5.728 -16.900 247 1HB ARG 28 2HB ARG 28 -7.488 5.256 -19.329 248 2HB ARG 28 3HB ARG 28 -9.190 5.460 -19.748 249 1HG ARG 28 2HG ARG 28 -8.180 7.530 -20.237 250 2HG ARG 28 3HG ARG 28 -9.029 7.798 -18.723 251 1HD ARG 28 2HD ARG 28 -6.648 7.241 -17.616 252 2HD ARG 28 3HD ARG 28 -6.044 7.440 -19.253 253 HE ARG 28 HE ARG 28 -6.253 9.711 -19.037 254 1HH1 ARG 28 1HH1 ARG 28 -8.223 8.138 -16.590 255 2HH1 ARG 28 2HH1 ARG 28 -9.024 9.586 -16.069 256 1HH2 ARG 28 1HH2 ARG 28 -7.035 11.690 -18.143 257 2HH2 ARG 28 2HH2 ARG 28 -8.127 11.662 -16.783 258 H ASP 29 H ASP 29 -10.987 4.493 -18.580 259 HA ASP 29 HA ASP 29 -12.829 6.531 -17.932 260 1HB ASP 29 2HB ASP 29 -13.329 3.538 -18.320 261 2HB ASP 29 3HB ASP 29 -14.559 4.802 -18.373 262 H THR 30 H THR 30 -12.265 3.424 -16.289 263 HA THR 30 HA THR 30 -14.157 3.712 -14.208 264 HB THR 30 HB THR 30 -11.574 2.084 -14.248 265 HG1 THR 30 HG1 THR 30 -12.860 1.578 -15.954 266 1HG2 THR 30 1HG2 THR 30 -12.629 2.271 -11.967 267 2HG2 THR 30 2HG2 THR 30 -14.154 1.696 -12.651 268 3HG2 THR 30 3HG2 THR 30 -12.723 0.636 -12.639 269 H LEU 31 H LEU 31 -10.637 4.436 -14.314 270 HA LEU 31 HA LEU 31 -10.324 5.350 -11.687 271 1HB LEU 31 2HB LEU 31 -8.499 4.860 -13.235 272 2HB LEU 31 3HB LEU 31 -8.913 6.239 -14.247 273 HG LEU 31 HG LEU 31 -6.934 6.503 -12.789 274 1HD1 LEU 31 1HD1 LEU 31 -7.255 8.761 -12.173 275 2HD1 LEU 31 2HD1 LEU 31 -8.237 8.488 -13.622 276 3HD1 LEU 31 3HD1 LEU 31 -9.003 8.588 -12.018 277 1HD2 LEU 31 1HD2 LEU 31 -7.791 5.276 -10.800 278 2HD2 LEU 31 2HD2 LEU 31 -7.109 6.865 -10.405 279 3HD2 LEU 31 3HD2 LEU 31 -8.865 6.647 -10.439 280 H THR 32 H THR 32 -10.951 7.320 -14.670 281 HA THR 32 HA THR 32 -11.207 9.765 -13.339 282 HB THR 32 HB THR 32 -12.813 8.955 -15.808 283 HG1 THR 32 HG1 THR 32 -10.755 8.441 -16.245 284 1HG2 THR 32 1HG2 THR 32 -13.381 11.199 -14.880 285 2HG2 THR 32 2HG2 THR 32 -11.656 11.628 -14.877 286 3HG2 THR 32 3HG2 THR 32 -12.498 11.334 -16.410 287 H SER 33 H SER 33 -13.872 7.528 -14.266 288 HA SER 33 HA SER 33 -15.955 9.136 -13.212 289 1HB SER 33 2HB SER 33 -17.280 6.989 -13.265 290 2HB SER 33 3HB SER 33 -16.483 7.418 -14.788 291 HG SER 33 HG SER 33 -14.887 5.908 -14.363 292 H GLU 34 H GLU 34 -14.437 6.203 -11.735 293 HA GLU 34 HA GLU 34 -15.973 6.511 -9.371 294 1HB GLU 34 2HB GLU 34 -14.888 4.405 -10.261 295 2HB GLU 34 3HB GLU 34 -13.372 4.951 -9.520 296 1HG GLU 34 2HG GLU 34 -14.454 4.999 -7.306 297 2HG GLU 34 3HG GLU 34 -16.038 4.671 -8.018 298 H LYS 35 H LYS 35 -12.650 7.660 -10.170 299 HA LYS 35 HA LYS 35 -12.006 8.699 -7.606 300 1HB LYS 35 2HB LYS 35 -10.389 8.536 -9.436 301 2HB LYS 35 3HB LYS 35 -11.283 9.759 -10.368 302 1HG LYS 35 2HG LYS 35 -10.808 11.455 -8.672 303 2HG LYS 35 3HG LYS 35 -9.995 10.247 -7.650 304 1HD LYS 35 2HD LYS 35 -8.296 9.891 -9.408 305 2HD LYS 35 3HD LYS 35 -9.147 11.020 -10.484 306 1HE LYS 35 2HE LYS 35 -8.764 12.870 -8.889 307 2HE LYS 35 3HE LYS 35 -7.952 11.760 -7.769 308 1HZ LYS 35 1HZ LYS 35 -6.403 12.987 -9.081 309 2HZ LYS 35 2HZ LYS 35 -6.297 11.384 -9.453 310 3HZ LYS 35 3HZ LYS 35 -7.055 12.423 -10.485 311 H SER 36 H SER 36 -13.715 10.234 -10.400 312 HA SER 36 HA SER 36 -14.183 12.725 -9.166 313 1HB SER 36 2HB SER 36 -15.960 11.286 -11.186 314 2HB SER 36 3HB SER 36 -16.019 13.007 -10.766 315 HG SER 36 HG SER 36 -13.834 11.603 -11.915 316 H LYS 37 H LYS 37 -16.317 9.808 -9.202 317 HA LYS 37 HA LYS 37 -18.346 10.815 -7.513 318 1HB LYS 37 2HB LYS 37 -17.236 8.004 -7.857 319 2HB LYS 37 3HB LYS 37 -18.653 8.351 -6.890 320 1HG LYS 37 2HG LYS 37 -18.351 8.904 -9.876 321 2HG LYS 37 3HG LYS 37 -19.223 7.558 -9.147 322 1HD LYS 37 2HD LYS 37 -19.971 10.515 -9.006 323 2HD LYS 37 3HD LYS 37 -20.790 9.228 -9.885 324 1HE LYS 37 2HE LYS 37 -21.292 8.085 -7.694 325 2HE LYS 37 3HE LYS 37 -20.597 9.479 -6.844 326 1HZ LYS 37 1HZ LYS 37 -22.887 9.576 -8.667 327 2HZ LYS 37 2HZ LYS 37 -22.946 9.646 -7.023 328 3HZ LYS 37 3HZ LYS 37 -22.229 10.862 -7.871 329 H ILE 38 H ILE 38 -15.422 8.945 -6.512 330 HA ILE 38 HA ILE 38 -15.899 9.038 -3.751 331 HB ILE 38 HB ILE 38 -13.323 8.929 -5.350 332 1HG1 ILE 38 2HG1 ILE 38 -14.706 6.811 -3.634 333 2HG1 ILE 38 3HG1 ILE 38 -15.022 7.002 -5.357 334 1HG2 ILE 38 1HG2 ILE 38 -13.650 8.684 -2.328 335 2HG2 ILE 38 2HG2 ILE 38 -12.180 8.254 -3.223 336 3HG2 ILE 38 3HG2 ILE 38 -12.710 9.921 -3.186 337 1HD1 ILE 38 1HD1 ILE 38 -13.402 5.246 -5.092 338 2HD1 ILE 38 2HD1 ILE 38 -12.587 6.636 -5.830 339 3HD1 ILE 38 3HD1 ILE 38 -12.350 6.259 -4.106 340 H GLU 39 H GLU 39 -13.973 11.378 -5.705 341 HA GLU 39 HA GLU 39 -13.360 13.116 -3.542 342 1HB GLU 39 2HB GLU 39 -13.625 13.623 -6.530 343 2HB GLU 39 3HB GLU 39 -13.012 14.822 -5.378 344 1HG GLU 39 2HG GLU 39 -11.203 13.315 -4.684 345 2HG GLU 39 3HG GLU 39 -11.779 12.054 -5.777 346 H THR 40 H THR 40 -16.070 13.219 -5.882 347 HA THR 40 HA THR 40 -17.304 15.588 -4.971 348 HB THR 40 HB THR 40 -18.532 13.072 -6.186 349 HG1 THR 40 HG1 THR 40 -16.977 14.016 -7.482 350 1HG2 THR 40 1HG2 THR 40 -20.308 14.538 -6.996 351 2HG2 THR 40 2HG2 THR 40 -20.321 14.474 -5.225 352 3HG2 THR 40 3HG2 THR 40 -19.650 15.899 -6.062 353 H GLU 41 H GLU 41 -17.942 12.187 -3.987 354 HA GLU 41 HA GLU 41 -19.902 12.751 -2.010 355 1HB GLU 41 2HB GLU 41 -17.931 10.456 -2.352 356 2HB GLU 41 3HB GLU 41 -19.201 10.483 -1.118 357 1HG GLU 41 2HG GLU 41 -20.951 10.595 -2.792 358 2HG GLU 41 3HG GLU 41 -19.782 10.798 -4.100 359 H LEU 42 H LEU 42 -16.344 12.319 -1.725 360 HA LEU 42 HA LEU 42 -16.140 12.635 1.043 361 1HB LEU 42 2HB LEU 42 -14.329 11.864 -0.476 362 2HB LEU 42 3HB LEU 42 -14.180 13.497 -1.124 363 HG LEU 42 HG LEU 42 -13.517 14.315 1.150 364 1HD1 LEU 42 1HD1 LEU 42 -14.526 12.622 2.609 365 2HD1 LEU 42 2HD1 LEU 42 -13.594 11.331 1.815 366 3HD1 LEU 42 3HD1 LEU 42 -12.772 12.550 2.803 367 1HD2 LEU 42 1HD2 LEU 42 -11.846 13.718 -0.559 368 2HD2 LEU 42 2HD2 LEU 42 -11.257 13.335 1.068 369 3HD2 LEU 42 3HD2 LEU 42 -11.848 12.034 0.010 370 H LYS 43 H LYS 43 -15.843 15.201 -1.507 371 HA LYS 43 HA LYS 43 -15.621 17.302 0.417 372 1HB LYS 43 2HB LYS 43 -16.578 17.432 -2.463 373 2HB LYS 43 3HB LYS 43 -16.199 18.824 -1.444 374 1HG LYS 43 2HG LYS 43 -14.277 16.700 -2.451 375 2HG LYS 43 3HG LYS 43 -14.329 18.398 -2.892 376 1HD LYS 43 2HD LYS 43 -13.475 17.186 -0.222 377 2HD LYS 43 3HD LYS 43 -12.455 17.973 -1.413 378 1HE LYS 43 2HE LYS 43 -14.584 19.356 0.298 379 2HE LYS 43 3HE LYS 43 -12.829 19.457 0.474 380 1HZ LYS 43 1HZ LYS 43 -13.596 21.335 -0.655 381 2HZ LYS 43 2HZ LYS 43 -12.781 20.422 -1.761 382 3HZ LYS 43 3HZ LYS 43 -14.438 20.463 -1.758 383 H ASN 44 H ASN 44 -18.501 15.832 -1.140 384 HA ASN 44 HA ASN 44 -20.361 17.686 -0.050 385 1HB ASN 44 2HB ASN 44 -20.615 14.825 -0.977 386 2HB ASN 44 3HB ASN 44 -21.912 15.546 -0.025 387 1HD2 ASN 44 1HD2 ASN 44 -19.927 16.155 -2.945 388 2HD2 ASN 44 2HD2 ASN 44 -21.132 17.149 -3.755 389 H LYS 45 H LYS 45 -19.002 14.669 1.378 390 HA LYS 45 HA LYS 45 -20.434 14.944 3.846 391 1HB LYS 45 2HB LYS 45 -17.808 13.565 3.169 392 2HB LYS 45 3HB LYS 45 -18.595 13.429 4.743 393 1HG LYS 45 2HG LYS 45 -20.031 12.718 2.151 394 2HG LYS 45 3HG LYS 45 -19.032 11.559 3.028 395 1HD LYS 45 2HD LYS 45 -20.428 11.632 4.974 396 2HD LYS 45 3HD LYS 45 -21.337 13.031 4.386 397 1HE LYS 45 2HE LYS 45 -22.265 11.738 2.526 398 2HE LYS 45 3HE LYS 45 -21.335 10.312 3.009 399 1HZ LYS 45 1HZ LYS 45 -23.574 10.219 3.795 400 2HZ LYS 45 2HZ LYS 45 -22.539 10.306 5.074 401 3HZ LYS 45 3HZ LYS 45 -23.402 11.635 4.620 402 H MET 46 H MET 46 -17.239 16.217 2.816 403 HA MET 46 HA MET 46 -16.573 17.336 5.348 404 1HB MET 46 2HB MET 46 -15.740 18.101 2.529 405 2HB MET 46 3HB MET 46 -15.101 18.887 3.973 406 1HG MET 46 2HG MET 46 -14.241 16.795 4.835 407 2HG MET 46 3HG MET 46 -14.890 15.902 3.454 408 1HE MET 46 1HE MET 46 -12.449 14.853 3.293 409 2HE MET 46 2HE MET 46 -10.975 15.807 3.001 410 3HE MET 46 3HE MET 46 -11.808 15.912 4.571 411 H GLN 47 H GLN 47 -18.174 18.957 2.545 412 HA GLN 47 HA GLN 47 -19.121 21.088 4.421 413 1HB GLN 47 2HB GLN 47 -18.201 22.838 2.940 414 2HB GLN 47 3HB GLN 47 -16.980 21.843 3.718 415 1HG GLN 47 2HG GLN 47 -16.292 22.298 1.469 416 2HG GLN 47 3HG GLN 47 -16.625 20.575 1.604 417 1HE2 GLN 47 1HE2 GLN 47 -18.290 19.691 0.325 418 2HE2 GLN 47 2HE2 GLN 47 -19.272 20.606 -0.792 419 H GLN 48 H GLN 48 -20.353 18.934 2.426 420 HA GLN 48 HA GLN 48 -22.052 18.775 0.950 421 1HB GLN 48 2HB GLN 48 -23.057 21.254 2.394 422 2HB GLN 48 3HB GLN 48 -23.976 20.261 1.249 423 1HG GLN 48 2HG GLN 48 -23.621 18.273 2.725 424 2HG GLN 48 3HG GLN 48 -22.721 19.288 3.861 425 1HE2 GLN 48 1HE2 GLN 48 -25.874 19.487 2.069 426 2HE2 GLN 48 2HE2 GLN 48 -26.788 19.985 3.484 427 H LYS 49 H LYS 49 -22.074 22.284 0.922 428 HA LYS 49 HA LYS 49 -20.575 22.637 -1.453 429 1HB LYS 49 2HB LYS 49 -22.719 21.681 -2.425 430 2HB LYS 49 3HB LYS 49 -23.570 23.103 -1.832 431 1HG LYS 49 2HG LYS 49 -21.228 23.057 -3.804 432 2HG LYS 49 3HG LYS 49 -22.940 23.220 -4.217 433 1HD LYS 49 2HD LYS 49 -22.984 25.335 -2.770 434 2HD LYS 49 3HD LYS 49 -21.206 25.258 -2.743 435 1HE LYS 49 2HE LYS 49 -22.919 25.433 -5.253 436 2HE LYS 49 3HE LYS 49 -22.040 26.761 -4.481 437 1HZ LYS 49 1HZ LYS 49 -20.012 25.608 -4.846 438 2HZ LYS 49 2HZ LYS 49 -20.794 24.352 -5.586 439 3HZ LYS 49 3HZ LYS 49 -20.802 25.852 -6.274 440 H SER 50 H SER 50 -19.547 24.179 -0.199 441 HA SER 50 HA SER 50 -21.008 26.016 1.505 442 1HB SER 50 2HB SER 50 -18.644 26.985 1.790 443 2HB SER 50 3HB SER 50 -19.011 25.365 2.404 444 HG SER 50 HG SER 50 -17.962 24.463 0.638 445 H GLN 51 H GLN 51 -22.315 26.604 -0.397 446 HA GLN 51 HA GLN 51 -22.994 27.944 -2.052 447 1HB GLN 51 2HB GLN 51 -23.410 30.248 -1.133 448 2HB GLN 51 3HB GLN 51 -23.987 28.837 -0.257 449 1HG GLN 51 2HG GLN 51 -23.258 30.275 1.408 450 2HG GLN 51 3HG GLN 51 -22.010 29.044 1.318 451 1HE2 GLN 51 1HE2 GLN 51 -22.863 32.378 0.209 452 2HE2 GLN 51 2HE2 GLN 51 -21.201 32.937 0.161 453 H LYS 52 H LYS 52 -20.093 29.813 -1.007 454 HA LYS 52 HA LYS 52 -19.948 31.073 -3.662 455 1HB LYS 52 2HB LYS 52 -19.404 32.296 -1.578 456 2HB LYS 52 3HB LYS 52 -18.102 31.139 -1.246 457 1HG LYS 52 2HG LYS 52 -16.918 31.877 -3.302 458 2HG LYS 52 3HG LYS 52 -18.281 32.911 -3.727 459 1HD LYS 52 2HD LYS 52 -16.434 34.213 -2.745 460 2HD LYS 52 3HD LYS 52 -17.913 34.339 -1.791 461 1HE LYS 52 2HE LYS 52 -15.872 34.098 -0.390 462 2HE LYS 52 3HE LYS 52 -17.037 32.805 -0.101 463 1HZ LYS 52 1HZ LYS 52 -15.734 31.393 -1.518 464 2HZ LYS 52 2HZ LYS 52 -14.659 32.607 -1.819 465 3HZ LYS 52 3HZ LYS 52 -14.803 31.990 -0.296 466 H LYS 53 H LYS 53 -18.384 28.466 -1.779 467 HA LYS 53 HA LYS 53 -16.155 28.285 -3.635 468 1HB LYS 53 2HB LYS 53 -16.966 26.453 -1.362 469 2HB LYS 53 3HB LYS 53 -15.415 26.436 -2.215 470 1HG LYS 53 2HG LYS 53 -15.020 28.806 -1.469 471 2HG LYS 53 3HG LYS 53 -16.524 28.728 -0.523 472 1HD LYS 53 2HD LYS 53 -15.631 26.804 0.756 473 2HD LYS 53 3HD LYS 53 -14.112 26.897 -0.157 474 1HE LYS 53 2HE LYS 53 -13.749 29.213 0.697 475 2HE LYS 53 3HE LYS 53 -15.268 29.109 1.611 476 1HZ LYS 53 1HZ LYS 53 -12.919 27.391 1.992 477 2HZ LYS 53 2HZ LYS 53 -13.386 28.629 2.973 478 3HZ LYS 53 3HZ LYS 53 -14.332 27.287 2.834 479 HA PRO 54 HA PRO 54 -18.214 25.309 -6.305 480 1HB PRO 54 2HB PRO 54 -16.146 24.449 -7.827 481 2HB PRO 54 3HB PRO 54 -16.721 26.136 -7.881 482 1HG PRO 54 2HG PRO 54 -14.404 25.056 -6.245 483 2HG PRO 54 3HG PRO 54 -14.386 26.444 -7.374 484 1HD PRO 54 2HD PRO 54 -14.736 26.773 -4.697 485 2HD PRO 54 3HD PRO 54 -15.627 27.787 -5.874 486 H GLU 55 H GLU 55 -18.414 24.237 -3.975 487 HA GLU 55 HA GLU 55 -18.396 22.338 -2.718 488 1HB GLU 55 2HB GLU 55 -19.361 21.526 -4.942 489 2HB GLU 55 3HB GLU 55 -17.751 20.889 -5.318 490 1HG GLU 55 2HG GLU 55 -17.905 19.542 -3.146 491 2HG GLU 55 3HG GLU 55 -19.581 20.090 -3.018 Start of MODEL 20 1 1H MET 1 H MET 1 -18.657 6.667 11.030 2 HA MET 1 HA MET 1 -17.977 8.832 9.941 3 1HB MET 1 2HB MET 1 -17.871 10.056 12.109 4 2HB MET 1 3HB MET 1 -16.438 9.118 12.559 5 1HG MET 1 2HG MET 1 -15.243 10.052 10.555 6 2HG MET 1 3HG MET 1 -16.709 10.941 10.128 7 1HE MET 1 1HE MET 1 -15.050 10.506 13.755 8 2HE MET 1 2HE MET 1 -13.704 10.595 12.587 9 3HE MET 1 3HE MET 1 -13.992 11.931 13.728 10 H ALA 2 H ALA 2 -15.965 6.870 12.155 11 HA ALA 2 HA ALA 2 -13.780 6.335 10.410 12 1HB ALA 2 1HB ALA 2 -13.421 4.341 11.809 13 2HB ALA 2 2HB ALA 2 -13.757 5.773 12.803 14 3HB ALA 2 3HB ALA 2 -15.025 4.550 12.545 15 H SER 3 H SER 3 -17.016 4.914 10.700 16 HA SER 3 HA SER 3 -16.932 2.762 8.881 17 1HB SER 3 2HB SER 3 -19.412 3.576 8.651 18 2HB SER 3 3HB SER 3 -18.841 3.066 10.250 19 HG SER 3 HG SER 3 -19.950 5.119 10.252 20 H VAL 4 H VAL 4 -17.921 6.152 8.369 21 HA VAL 4 HA VAL 4 -18.266 5.997 5.574 22 HB VAL 4 HB VAL 4 -17.485 8.450 7.217 23 1HG1 VAL 4 1HG1 VAL 4 -17.236 8.849 4.804 24 2HG1 VAL 4 2HG1 VAL 4 -18.853 8.173 4.511 25 3HG1 VAL 4 3HG1 VAL 4 -18.666 9.686 5.425 26 1HG2 VAL 4 1HG2 VAL 4 -20.222 7.289 6.521 27 2HG2 VAL 4 2HG2 VAL 4 -19.520 7.398 8.148 28 3HG2 VAL 4 3HG2 VAL 4 -19.940 8.871 7.274 29 H LEU 5 H LEU 5 -15.390 7.086 7.431 30 HA LEU 5 HA LEU 5 -13.684 7.577 5.218 31 1HB LEU 5 2HB LEU 5 -13.004 6.544 8.000 32 2HB LEU 5 3HB LEU 5 -11.824 7.147 6.835 33 HG LEU 5 HG LEU 5 -14.093 8.818 8.019 34 1HD1 LEU 5 1HD1 LEU 5 -12.398 8.181 9.701 35 2HD1 LEU 5 2HD1 LEU 5 -11.112 8.793 8.640 36 3HD1 LEU 5 3HD1 LEU 5 -12.317 9.908 9.318 37 1HD2 LEU 5 1HD2 LEU 5 -11.733 9.570 6.243 38 2HD2 LEU 5 2HD2 LEU 5 -13.459 9.699 5.830 39 3HD2 LEU 5 3HD2 LEU 5 -12.780 10.727 7.091 40 H GLU 6 H GLU 6 -14.183 4.530 7.058 41 HA GLU 6 HA GLU 6 -12.387 2.930 5.599 42 1HB GLU 6 2HB GLU 6 -13.473 2.294 7.730 43 2HB GLU 6 3HB GLU 6 -15.021 2.107 6.894 44 1HG GLU 6 2HG GLU 6 -14.054 0.301 5.495 45 2HG GLU 6 3HG GLU 6 -12.492 0.511 6.309 46 H GLU 7 H GLU 7 -15.901 3.541 4.990 47 HA GLU 7 HA GLU 7 -16.020 1.917 2.653 48 1HB GLU 7 2HB GLU 7 -17.681 4.354 3.417 49 2HB GLU 7 3HB GLU 7 -18.046 3.264 2.072 50 1HG GLU 7 2HG GLU 7 -17.920 2.435 5.010 51 2HG GLU 7 3HG GLU 7 -19.383 2.696 4.059 52 H LEU 8 H LEU 8 -15.268 5.437 2.941 53 HA LEU 8 HA LEU 8 -14.950 5.826 0.116 54 1HB LEU 8 2HB LEU 8 -13.636 7.228 2.468 55 2HB LEU 8 3HB LEU 8 -13.517 7.797 0.797 56 HG LEU 8 HG LEU 8 -16.207 7.422 2.180 57 1HD1 LEU 8 1HD1 LEU 8 -14.864 9.020 3.477 58 2HD1 LEU 8 2HD1 LEU 8 -14.480 9.918 1.993 59 3HD1 LEU 8 3HD1 LEU 8 -16.149 9.856 2.591 60 1HD2 LEU 8 1HD2 LEU 8 -16.957 9.024 0.444 61 2HD2 LEU 8 2HD2 LEU 8 -15.332 9.034 -0.265 62 3HD2 LEU 8 3HD2 LEU 8 -16.314 7.555 -0.293 63 H GLN 9 H GLN 9 -12.559 4.895 2.631 64 HA GLN 9 HA GLN 9 -10.336 4.626 0.902 65 1HB GLN 9 2HB GLN 9 -10.263 4.684 3.356 66 2HB GLN 9 3HB GLN 9 -10.965 3.068 3.452 67 1HG GLN 9 2HG GLN 9 -8.446 3.444 1.807 68 2HG GLN 9 3HG GLN 9 -8.333 3.555 3.561 69 1HE2 GLN 9 1HE2 GLN 9 -9.304 1.317 0.918 70 2HE2 GLN 9 2HE2 GLN 9 -9.053 -0.123 1.902 71 H LYS 10 H LYS 10 -12.972 2.325 1.693 72 HA LYS 10 HA LYS 10 -11.850 0.143 0.243 73 1HB LYS 10 2HB LYS 10 -13.599 -0.080 1.961 74 2HB LYS 10 3HB LYS 10 -14.762 0.709 0.873 75 1HG LYS 10 2HG LYS 10 -14.584 -1.112 -0.748 76 2HG LYS 10 3HG LYS 10 -13.193 -1.792 0.109 77 1HD LYS 10 2HD LYS 10 -15.124 -3.107 0.609 78 2HD LYS 10 3HD LYS 10 -14.583 -2.256 2.069 79 1HE LYS 10 2HE LYS 10 -16.390 -0.559 1.744 80 2HE LYS 10 3HE LYS 10 -16.904 -1.383 0.261 81 1HZ LYS 10 1HZ LYS 10 -17.441 -3.283 1.611 82 2HZ LYS 10 2HZ LYS 10 -16.935 -2.501 2.976 83 3HZ LYS 10 3HZ LYS 10 -18.239 -1.940 2.143 84 H ASP 11 H ASP 11 -14.086 2.800 -0.726 85 HA ASP 11 HA ASP 11 -14.472 1.881 -3.398 86 1HB ASP 11 2HB ASP 11 -15.729 3.729 -2.236 87 2HB ASP 11 3HB ASP 11 -14.334 4.782 -2.486 88 H LEU 12 H LEU 12 -11.936 3.943 -1.931 89 HA LEU 12 HA LEU 12 -10.270 4.331 -4.144 90 1HB LEU 12 2HB LEU 12 -10.109 4.999 -1.546 91 2HB LEU 12 3HB LEU 12 -8.917 3.688 -1.566 92 HG LEU 12 HG LEU 12 -8.918 6.155 -3.353 93 1HD1 LEU 12 1HD1 LEU 12 -7.148 5.366 -0.999 94 2HD1 LEU 12 2HD1 LEU 12 -6.975 6.826 -1.996 95 3HD1 LEU 12 3HD1 LEU 12 -8.409 6.617 -0.976 96 1HD2 LEU 12 1HD2 LEU 12 -6.581 5.397 -3.920 97 2HD2 LEU 12 2HD2 LEU 12 -6.927 3.850 -3.120 98 3HD2 LEU 12 3HD2 LEU 12 -7.837 4.342 -4.568 99 H GLU 13 H GLU 13 -10.391 1.530 -1.848 100 HA GLU 13 HA GLU 13 -8.311 0.047 -3.075 101 1HB GLU 13 2HB GLU 13 -9.331 -0.339 -0.804 102 2HB GLU 13 3HB GLU 13 -10.724 -1.090 -1.608 103 1HG GLU 13 2HG GLU 13 -9.235 -2.795 -2.603 104 2HG GLU 13 3HG GLU 13 -7.833 -2.024 -1.840 105 H GLU 14 H GLU 14 -11.830 0.131 -3.688 106 HA GLU 14 HA GLU 14 -11.940 -1.963 -5.562 107 1HB GLU 14 2HB GLU 14 -13.897 -0.864 -4.422 108 2HB GLU 14 3HB GLU 14 -13.696 0.533 -5.485 109 1HG GLU 14 2HG GLU 14 -15.450 -0.897 -6.341 110 2HG GLU 14 3HG GLU 14 -14.091 -0.912 -7.471 111 H VAL 15 H VAL 15 -11.622 1.619 -6.168 112 HA VAL 15 HA VAL 15 -11.319 1.250 -8.974 113 HB VAL 15 HB VAL 15 -11.820 3.433 -8.103 114 1HG1 VAL 15 1HG1 VAL 15 -10.148 4.931 -7.164 115 2HG1 VAL 15 2HG1 VAL 15 -10.505 3.553 -6.124 116 3HG1 VAL 15 3HG1 VAL 15 -8.979 3.602 -7.046 117 1HG2 VAL 15 1HG2 VAL 15 -10.409 4.744 -9.590 118 2HG2 VAL 15 2HG2 VAL 15 -9.184 3.463 -9.629 119 3HG2 VAL 15 3HG2 VAL 15 -10.784 3.189 -10.349 120 H LYS 16 H LYS 16 -8.772 1.388 -6.409 121 HA LYS 16 HA LYS 16 -6.561 1.058 -8.115 122 1HB LYS 16 2HB LYS 16 -6.433 1.544 -5.711 123 2HB LYS 16 3HB LYS 16 -7.008 -0.088 -5.339 124 1HG LYS 16 2HG LYS 16 -4.970 -1.061 -6.364 125 2HG LYS 16 3HG LYS 16 -4.451 0.544 -6.876 126 1HD LYS 16 2HD LYS 16 -3.256 -0.224 -4.855 127 2HD LYS 16 3HD LYS 16 -4.144 1.279 -4.585 128 1HE LYS 16 2HE LYS 16 -4.313 -0.351 -2.692 129 2HE LYS 16 3HE LYS 16 -5.882 0.130 -3.339 130 1HZ LYS 16 1HZ LYS 16 -5.714 -2.235 -2.964 131 2HZ LYS 16 2HZ LYS 16 -5.943 -1.918 -4.564 132 3HZ LYS 16 3HZ LYS 16 -4.450 -2.354 -4.017 133 H VAL 17 H VAL 17 -8.500 -1.527 -6.562 134 HA VAL 17 HA VAL 17 -7.183 -3.765 -7.647 135 HB VAL 17 HB VAL 17 -9.989 -3.284 -6.615 136 1HG1 VAL 17 1HG1 VAL 17 -8.814 -5.914 -7.565 137 2HG1 VAL 17 2HG1 VAL 17 -10.266 -5.759 -6.556 138 3HG1 VAL 17 3HG1 VAL 17 -10.274 -5.115 -8.201 139 1HG2 VAL 17 1HG2 VAL 17 -7.971 -3.305 -5.047 140 2HG2 VAL 17 2HG2 VAL 17 -9.170 -4.566 -4.710 141 3HG2 VAL 17 3HG2 VAL 17 -7.665 -4.968 -5.562 142 H LEU 18 H LEU 18 -10.072 -2.003 -8.946 143 HA LEU 18 HA LEU 18 -10.210 -3.664 -11.293 144 1HB LEU 18 2HB LEU 18 -11.212 -0.828 -10.846 145 2HB LEU 18 3HB LEU 18 -11.576 -1.841 -12.248 146 HG LEU 18 HG LEU 18 -12.416 -2.387 -9.374 147 1HD1 LEU 18 1HD1 LEU 18 -14.669 -2.060 -10.288 148 2HD1 LEU 18 2HD1 LEU 18 -13.670 -0.627 -10.601 149 3HD1 LEU 18 3HD1 LEU 18 -13.996 -1.786 -11.907 150 1HD2 LEU 18 1HD2 LEU 18 -13.733 -4.281 -10.374 151 2HD2 LEU 18 2HD2 LEU 18 -12.787 -4.099 -11.867 152 3HD2 LEU 18 3HD2 LEU 18 -11.996 -4.565 -10.341 153 H LEU 19 H LEU 19 -8.517 -0.584 -10.685 154 HA LEU 19 HA LEU 19 -7.593 -0.009 -13.265 155 1HB LEU 19 2HB LEU 19 -7.353 1.328 -11.060 156 2HB LEU 19 3HB LEU 19 -5.964 0.308 -10.708 157 HG LEU 19 HG LEU 19 -5.087 1.141 -13.036 158 1HD1 LEU 19 1HD1 LEU 19 -7.293 2.260 -13.646 159 2HD1 LEU 19 2HD1 LEU 19 -7.078 3.342 -12.264 160 3HD1 LEU 19 3HD1 LEU 19 -5.932 3.396 -13.624 161 1HD2 LEU 19 1HD2 LEU 19 -4.052 1.698 -10.888 162 2HD2 LEU 19 2HD2 LEU 19 -4.109 3.129 -11.930 163 3HD2 LEU 19 3HD2 LEU 19 -5.272 2.956 -10.597 164 H GLU 20 H GLU 20 -5.907 -1.938 -10.693 165 HA GLU 20 HA GLU 20 -3.847 -2.740 -12.527 166 1HB GLU 20 2HB GLU 20 -3.038 -4.222 -10.814 167 2HB GLU 20 3HB GLU 20 -3.431 -2.626 -10.166 168 1HG GLU 20 2HG GLU 20 -5.630 -3.598 -9.363 169 2HG GLU 20 3HG GLU 20 -5.015 -5.201 -9.799 170 H LYS 21 H LYS 21 -6.758 -4.564 -11.351 171 HA LYS 21 HA LYS 21 -6.052 -6.936 -12.799 172 1HB LYS 21 2HB LYS 21 -8.734 -5.945 -11.741 173 2HB LYS 21 3HB LYS 21 -8.476 -7.532 -12.483 174 1HG LYS 21 2HG LYS 21 -6.781 -8.092 -10.778 175 2HG LYS 21 3HG LYS 21 -7.043 -6.521 -9.993 176 1HD LYS 21 2HD LYS 21 -9.399 -7.077 -9.578 177 2HD LYS 21 3HD LYS 21 -9.223 -8.618 -10.435 178 1HE LYS 21 2HE LYS 21 -7.609 -9.434 -8.786 179 2HE LYS 21 3HE LYS 21 -7.613 -7.876 -7.945 180 1HZ LYS 21 1HZ LYS 21 -9.008 -9.465 -6.866 181 2HZ LYS 21 2HZ LYS 21 -9.922 -8.222 -7.442 182 3HZ LYS 21 3HZ LYS 21 -9.920 -9.674 -8.223 183 H SER 22 H SER 22 -8.504 -4.411 -13.581 184 HA SER 22 HA SER 22 -8.862 -5.578 -16.285 185 1HB SER 22 2HB SER 22 -10.215 -3.229 -14.890 186 2HB SER 22 3HB SER 22 -10.580 -3.821 -16.507 187 HG SER 22 HG SER 22 -10.690 -5.409 -14.153 188 H THR 23 H THR 23 -6.353 -5.046 -16.415 189 HA THR 23 HA THR 23 -5.654 -2.320 -16.839 190 HB THR 23 HB THR 23 -3.807 -4.205 -18.090 191 HG1 THR 23 HG1 THR 23 -4.502 -4.967 -15.461 192 1HG2 THR 23 1HG2 THR 23 -2.350 -3.553 -16.214 193 2HG2 THR 23 2HG2 THR 23 -3.720 -2.767 -15.401 194 3HG2 THR 23 3HG2 THR 23 -3.112 -2.131 -16.948 195 H ARG 24 H ARG 24 -7.903 -2.956 -18.431 196 HA ARG 24 HA ARG 24 -7.071 -2.884 -21.281 197 1HB ARG 24 2HB ARG 24 -9.756 -3.197 -19.857 198 2HB ARG 24 3HB ARG 24 -9.557 -3.186 -21.614 199 1HG ARG 24 2HG ARG 24 -8.363 -5.231 -21.622 200 2HG ARG 24 3HG ARG 24 -8.109 -5.239 -19.876 201 1HD ARG 24 2HD ARG 24 -10.877 -5.362 -21.127 202 2HD ARG 24 3HD ARG 24 -9.900 -6.789 -20.718 203 HE ARG 24 HE ARG 24 -9.994 -5.171 -18.413 204 1HH1 ARG 24 2HH1 ARG 24 -12.147 -7.106 -20.419 205 2HH1 ARG 24 1HH1 ARG 24 -13.137 -7.663 -19.100 206 1HH2 ARG 24 2HH2 ARG 24 -11.334 -5.910 -16.594 207 2HH2 ARG 24 1HH2 ARG 24 -12.649 -6.986 -16.942 208 H LYS 25 H LYS 25 -8.977 -1.233 -22.315 209 HA LYS 25 HA LYS 25 -8.413 1.438 -21.640 210 1HB LYS 25 2HB LYS 25 -10.907 0.165 -22.844 211 2HB LYS 25 3HB LYS 25 -10.653 1.913 -22.722 212 1HG LYS 25 2HG LYS 25 -8.616 1.780 -24.054 213 2HG LYS 25 3HG LYS 25 -8.768 0.014 -24.180 214 1HD LYS 25 2HD LYS 25 -10.938 0.283 -25.375 215 2HD LYS 25 3HD LYS 25 -10.828 2.039 -25.187 216 1HE LYS 25 2HE LYS 25 -10.154 1.418 -27.442 217 2HE LYS 25 3HE LYS 25 -8.763 2.075 -26.568 218 1HZ LYS 25 1HZ LYS 25 -8.019 -0.164 -26.198 219 2HZ LYS 25 2HZ LYS 25 -8.225 0.106 -27.809 220 3HZ LYS 25 3HZ LYS 25 -9.336 -0.781 -26.976 221 H ARG 26 H ARG 26 -10.520 -0.851 -20.104 222 HA ARG 26 HA ARG 26 -12.235 0.487 -18.429 223 1HB ARG 26 2HB ARG 26 -10.309 -1.803 -17.955 224 2HB ARG 26 3HB ARG 26 -11.472 -1.319 -16.735 225 1HG ARG 26 2HG ARG 26 -12.248 -2.146 -19.582 226 2HG ARG 26 3HG ARG 26 -12.122 -3.262 -18.234 227 1HD ARG 26 2HD ARG 26 -14.086 -0.966 -18.556 228 2HD ARG 26 3HD ARG 26 -14.456 -2.685 -18.482 229 HE ARG 26 HE ARG 26 -14.259 -0.881 -16.309 230 1HH1 ARG 26 2HH1 ARG 26 -13.447 -4.242 -17.074 231 2HH1 ARG 26 1HH1 ARG 26 -12.836 -4.586 -15.473 232 1HH2 ARG 26 1HH2 ARG 26 -13.924 -1.480 -14.151 233 2HH2 ARG 26 2HH2 ARG 26 -13.427 -3.103 -13.747 234 H LEU 27 H LEU 27 -8.650 0.314 -18.119 235 HA LEU 27 HA LEU 27 -8.192 1.443 -15.634 236 1HB LEU 27 2HB LEU 27 -6.893 2.094 -18.318 237 2HB LEU 27 3HB LEU 27 -6.259 2.614 -16.746 238 HG LEU 27 HG LEU 27 -6.724 -0.315 -17.198 239 1HD1 LEU 27 1HD1 LEU 27 -4.393 -0.479 -18.106 240 2HD1 LEU 27 2HD1 LEU 27 -5.401 0.476 -19.198 241 3HD1 LEU 27 3HD1 LEU 27 -4.267 1.290 -18.107 242 1HD2 LEU 27 1HD2 LEU 27 -4.756 -0.421 -15.663 243 2HD2 LEU 27 2HD2 LEU 27 -4.681 1.345 -15.636 244 3HD2 LEU 27 3HD2 LEU 27 -6.107 0.511 -14.985 245 H ARG 28 H ARG 28 -8.906 3.209 -18.687 246 HA ARG 28 HA ARG 28 -8.601 5.820 -17.490 247 1HB ARG 28 2HB ARG 28 -9.962 4.967 -20.086 248 2HB ARG 28 3HB ARG 28 -9.586 6.628 -19.603 249 1HG ARG 28 2HG ARG 28 -7.148 6.022 -19.505 250 2HG ARG 28 3HG ARG 28 -7.557 4.388 -20.057 251 1HD ARG 28 2HD ARG 28 -6.811 5.671 -21.953 252 2HD ARG 28 3HD ARG 28 -8.552 5.349 -22.127 253 HE ARG 28 HE ARG 28 -8.141 7.862 -20.815 254 1HH1 ARG 28 1HH2 ARG 28 -7.805 6.359 -23.985 255 2HH1 ARG 28 2HH2 ARG 28 -8.021 7.838 -24.880 256 1HH2 ARG 28 1HH1 ARG 28 -8.426 9.818 -21.962 257 2HH2 ARG 28 2HH1 ARG 28 -8.377 9.845 -23.702 258 H ASP 29 H ASP 29 -11.387 3.795 -18.422 259 HA ASP 29 HA ASP 29 -13.455 5.573 -17.665 260 1HB ASP 29 2HB ASP 29 -13.446 2.521 -17.530 261 2HB ASP 29 3HB ASP 29 -14.873 3.561 -17.468 262 H THR 30 H THR 30 -12.054 2.876 -15.745 263 HA THR 30 HA THR 30 -13.515 3.450 -13.380 264 HB THR 30 HB THR 30 -11.768 2.085 -12.218 265 HG1 THR 30 HG1 THR 30 -10.654 1.859 -14.821 266 1HG2 THR 30 1HG2 THR 30 -12.949 0.938 -14.775 267 2HG2 THR 30 2HG2 THR 30 -12.315 0.009 -13.404 268 3HG2 THR 30 3HG2 THR 30 -13.733 1.071 -13.174 269 H LEU 31 H LEU 31 -10.106 4.330 -14.240 270 HA LEU 31 HA LEU 31 -9.529 5.794 -11.965 271 1HB LEU 31 2HB LEU 31 -7.951 5.271 -13.768 272 2HB LEU 31 3HB LEU 31 -8.731 6.426 -14.845 273 HG LEU 31 HG LEU 31 -6.590 7.137 -13.860 274 1HD1 LEU 31 1HD1 LEU 31 -8.305 8.820 -14.610 275 2HD1 LEU 31 2HD1 LEU 31 -8.758 9.035 -12.902 276 3HD1 LEU 31 3HD1 LEU 31 -7.119 9.405 -13.431 277 1HD2 LEU 31 1HD2 LEU 31 -6.864 6.097 -11.613 278 2HD2 LEU 31 2HD2 LEU 31 -6.352 7.793 -11.547 279 3HD2 LEU 31 3HD2 LEU 31 -8.034 7.370 -11.189 280 H THR 32 H THR 32 -10.897 7.194 -15.027 281 HA THR 32 HA THR 32 -11.244 9.747 -13.884 282 HB THR 32 HB THR 32 -12.888 8.603 -16.184 283 HG1 THR 32 HG1 THR 32 -10.801 8.196 -16.687 284 1HG2 THR 32 1HG2 THR 32 -11.865 11.408 -15.526 285 2HG2 THR 32 2HG2 THR 32 -12.774 10.948 -16.980 286 3HG2 THR 32 3HG2 THR 32 -13.555 10.872 -15.388 287 H SER 33 H SER 33 -13.836 7.269 -14.516 288 HA SER 33 HA SER 33 -15.848 8.875 -13.326 289 1HB SER 33 2HB SER 33 -15.813 5.872 -13.831 290 2HB SER 33 3HB SER 33 -17.247 6.882 -13.567 291 HG SER 33 HG SER 33 -16.610 8.075 -15.456 292 H GLU 34 H GLU 34 -13.953 6.072 -11.979 293 HA GLU 34 HA GLU 34 -15.591 6.079 -9.637 294 1HB GLU 34 2HB GLU 34 -14.370 4.076 -10.594 295 2HB GLU 34 3HB GLU 34 -12.913 4.716 -9.826 296 1HG GLU 34 2HG GLU 34 -13.966 3.074 -8.356 297 2HG GLU 34 3HG GLU 34 -14.136 4.673 -7.612 298 H LYS 35 H LYS 35 -12.336 7.477 -10.466 299 HA LYS 35 HA LYS 35 -11.802 8.532 -7.867 300 1HB LYS 35 2HB LYS 35 -10.168 8.465 -9.746 301 2HB LYS 35 3HB LYS 35 -11.095 9.775 -10.534 302 1HG LYS 35 2HG LYS 35 -10.620 11.223 -8.547 303 2HG LYS 35 3HG LYS 35 -9.722 9.889 -7.819 304 1HD LYS 35 2HD LYS 35 -8.105 11.359 -8.815 305 2HD LYS 35 3HD LYS 35 -8.169 9.887 -9.789 306 1HE LYS 35 2HE LYS 35 -8.011 11.828 -11.234 307 2HE LYS 35 3HE LYS 35 -9.588 11.078 -11.478 308 1HZ LYS 35 1HZ LYS 35 -10.520 12.766 -10.027 309 2HZ LYS 35 2HZ LYS 35 -9.035 13.434 -9.804 310 3HZ LYS 35 3HZ LYS 35 -9.728 13.450 -11.298 311 H SER 36 H SER 36 -13.608 9.899 -10.692 312 HA SER 36 HA SER 36 -14.293 12.346 -9.516 313 1HB SER 36 2HB SER 36 -14.681 11.763 -11.894 314 2HB SER 36 3HB SER 36 -16.024 10.710 -11.414 315 HG SER 36 HG SER 36 -15.823 13.510 -10.961 316 H LYS 37 H LYS 37 -16.178 9.252 -9.351 317 HA LYS 37 HA LYS 37 -18.195 10.144 -7.593 318 1HB LYS 37 2HB LYS 37 -16.853 7.430 -7.868 319 2HB LYS 37 3HB LYS 37 -18.238 7.699 -6.831 320 1HG LYS 37 2HG LYS 37 -18.168 8.127 -9.853 321 2HG LYS 37 3HG LYS 37 -18.840 6.730 -9.015 322 1HD LYS 37 2HD LYS 37 -19.898 9.595 -8.938 323 2HD LYS 37 3HD LYS 37 -20.619 8.194 -9.728 324 1HE LYS 37 2HE LYS 37 -20.859 7.088 -7.465 325 2HE LYS 37 3HE LYS 37 -20.301 8.597 -6.717 326 1HZ LYS 37 1HZ LYS 37 -22.656 8.469 -6.769 327 2HZ LYS 37 2HZ LYS 37 -22.141 9.718 -7.712 328 3HZ LYS 37 3HZ LYS 37 -22.674 8.323 -8.410 329 H ILE 38 H ILE 38 -15.058 8.596 -6.685 330 HA ILE 38 HA ILE 38 -15.393 8.747 -3.903 331 HB ILE 38 HB ILE 38 -12.884 8.911 -5.613 332 1HG1 ILE 38 2HG1 ILE 38 -13.896 6.636 -3.876 333 2HG1 ILE 38 3HG1 ILE 38 -14.423 6.809 -5.550 334 1HG2 ILE 38 1HG2 ILE 38 -11.631 8.308 -3.521 335 2HG2 ILE 38 2HG2 ILE 38 -12.326 9.917 -3.436 336 3HG2 ILE 38 3HG2 ILE 38 -13.116 8.573 -2.587 337 1HD1 ILE 38 1HD1 ILE 38 -12.603 5.239 -5.479 338 2HD1 ILE 38 2HD1 ILE 38 -12.064 6.700 -6.320 339 3HD1 ILE 38 3HD1 ILE 38 -11.548 6.391 -4.647 340 H GLU 39 H GLU 39 -13.803 11.166 -6.027 341 HA GLU 39 HA GLU 39 -13.258 13.094 -4.021 342 1HB GLU 39 2HB GLU 39 -13.770 13.356 -7.008 343 2HB GLU 39 3HB GLU 39 -13.247 14.706 -5.988 344 1HG GLU 39 2HG GLU 39 -11.206 13.537 -5.348 345 2HG GLU 39 3HG GLU 39 -11.689 12.095 -6.246 346 H THR 40 H THR 40 -16.100 12.769 -6.191 347 HA THR 40 HA THR 40 -17.476 15.086 -5.339 348 HB THR 40 HB THR 40 -18.537 12.430 -6.405 349 HG1 THR 40 HG1 THR 40 -17.171 13.434 -7.829 350 1HG2 THR 40 1HG2 THR 40 -19.890 15.155 -6.276 351 2HG2 THR 40 2HG2 THR 40 -20.470 13.733 -7.171 352 3HG2 THR 40 3HG2 THR 40 -20.402 13.687 -5.401 353 H GLU 41 H GLU 41 -17.755 11.702 -4.154 354 HA GLU 41 HA GLU 41 -19.681 12.174 -2.122 355 1HB GLU 41 2HB GLU 41 -17.452 10.125 -2.451 356 2HB GLU 41 3HB GLU 41 -18.619 10.061 -1.128 357 1HG GLU 41 2HG GLU 41 -20.482 9.816 -2.648 358 2HG GLU 41 3HG GLU 41 -19.471 10.157 -4.055 359 H LEU 42 H LEU 42 -16.097 12.011 -1.882 360 HA LEU 42 HA LEU 42 -15.834 12.646 0.826 361 1HB LEU 42 2HB LEU 42 -14.047 11.812 -0.669 362 2HB LEU 42 3HB LEU 42 -14.040 13.340 -1.531 363 HG LEU 42 HG LEU 42 -13.381 14.451 0.709 364 1HD1 LEU 42 1HD1 LEU 42 -12.848 11.519 1.388 365 2HD1 LEU 42 2HD1 LEU 42 -12.261 12.896 2.325 366 3HD1 LEU 42 3HD1 LEU 42 -14.001 12.585 2.226 367 1HD2 LEU 42 1HD2 LEU 42 -11.015 13.811 0.417 368 2HD2 LEU 42 2HD2 LEU 42 -11.506 12.426 -0.584 369 3HD2 LEU 42 3HD2 LEU 42 -11.805 14.086 -1.144 370 H LYS 43 H LYS 43 -15.790 14.925 -1.970 371 HA LYS 43 HA LYS 43 -15.564 17.264 -0.358 372 1HB LYS 43 2HB LYS 43 -16.491 16.816 -3.217 373 2HB LYS 43 3HB LYS 43 -16.343 18.412 -2.508 374 1HG LYS 43 2HG LYS 43 -14.074 16.413 -2.858 375 2HG LYS 43 3HG LYS 43 -14.368 17.848 -3.828 376 1HD LYS 43 2HD LYS 43 -13.439 17.690 -0.933 377 2HD LYS 43 3HD LYS 43 -12.589 18.354 -2.318 378 1HE LYS 43 2HE LYS 43 -15.044 19.554 -0.951 379 2HE LYS 43 3HE LYS 43 -13.391 20.167 -0.911 380 1HZ LYS 43 1HZ LYS 43 -13.523 20.573 -3.251 381 2HZ LYS 43 2HZ LYS 43 -15.056 19.974 -3.318 382 3HZ LYS 43 3HZ LYS 43 -14.750 21.349 -2.470 383 H ASN 44 H ASN 44 -18.476 15.526 -1.547 384 HA ASN 44 HA ASN 44 -20.352 17.533 -0.621 385 1HB ASN 44 2HB ASN 44 -20.551 14.558 -1.192 386 2HB ASN 44 3HB ASN 44 -21.823 15.374 -0.285 387 1HD2 ASN 44 1HD2 ASN 44 -20.041 15.560 -3.389 388 2HD2 ASN 44 2HD2 ASN 44 -21.380 16.308 -4.263 389 H LYS 45 H LYS 45 -18.961 14.621 0.938 390 HA LYS 45 HA LYS 45 -20.276 14.944 3.429 391 1HB LYS 45 2HB LYS 45 -17.684 13.574 2.639 392 2HB LYS 45 3HB LYS 45 -18.388 13.457 4.260 393 1HG LYS 45 2HG LYS 45 -20.357 12.381 3.473 394 2HG LYS 45 3HG LYS 45 -20.019 12.781 1.780 395 1HD LYS 45 2HD LYS 45 -18.108 11.291 1.711 396 2HD LYS 45 3HD LYS 45 -18.218 10.992 3.452 397 1HE LYS 45 2HE LYS 45 -19.154 9.108 2.134 398 2HE LYS 45 3HE LYS 45 -20.381 9.856 3.173 399 1HZ LYS 45 1HZ LYS 45 -21.173 9.411 0.956 400 2HZ LYS 45 2HZ LYS 45 -21.208 11.024 1.284 401 3HZ LYS 45 3HZ LYS 45 -20.033 10.409 0.310 402 H MET 46 H MET 46 -17.137 16.263 2.290 403 HA MET 46 HA MET 46 -16.487 17.573 4.774 404 1HB MET 46 2HB MET 46 -15.685 18.086 1.880 405 2HB MET 46 3HB MET 46 -15.089 19.056 3.233 406 1HG MET 46 2HG MET 46 -14.126 17.099 4.300 407 2HG MET 46 3HG MET 46 -14.720 16.051 3.004 408 1HE MET 46 1HE MET 46 -11.646 16.319 4.109 409 2HE MET 46 2HE MET 46 -12.236 15.125 2.929 410 3HE MET 46 3HE MET 46 -10.807 16.118 2.552 411 H GLN 47 H GLN 47 -17.897 18.927 1.742 412 HA GLN 47 HA GLN 47 -18.116 21.549 2.852 413 1HB GLN 47 2HB GLN 47 -19.412 20.292 0.420 414 2HB GLN 47 3HB GLN 47 -19.435 22.022 0.773 415 1HG GLN 47 2HG GLN 47 -17.065 22.249 0.579 416 2HG GLN 47 3HG GLN 47 -16.801 20.504 0.545 417 1HE2 GLN 47 1HE2 GLN 47 -18.359 19.436 -1.232 418 2HE2 GLN 47 2HE2 GLN 47 -18.201 20.162 -2.840 419 H GLN 48 H GLN 48 -20.628 19.031 2.274 420 HA GLN 48 HA GLN 48 -22.845 19.003 2.729 421 1HB GLN 48 2HB GLN 48 -22.014 20.247 5.386 422 2HB GLN 48 3HB GLN 48 -23.410 19.195 5.053 423 1HG GLN 48 2HG GLN 48 -21.787 17.373 4.408 424 2HG GLN 48 3HG GLN 48 -20.466 18.448 4.904 425 1HE2 GLN 48 1HE2 GLN 48 -19.961 16.601 6.338 426 2HE2 GLN 48 2HE2 GLN 48 -20.764 16.532 7.913 427 H LYS 49 H LYS 49 -23.923 21.202 4.795 428 HA LYS 49 HA LYS 49 -24.882 23.021 2.743 429 1HB LYS 49 2HB LYS 49 -26.203 22.250 4.763 430 2HB LYS 49 3HB LYS 49 -25.160 23.265 5.756 431 1HG LYS 49 2HG LYS 49 -25.874 25.159 3.969 432 2HG LYS 49 3HG LYS 49 -27.150 24.006 3.589 433 1HD LYS 49 2HD LYS 49 -28.263 25.199 5.190 434 2HD LYS 49 3HD LYS 49 -27.469 24.060 6.282 435 1HE LYS 49 2HE LYS 49 -26.540 26.887 5.534 436 2HE LYS 49 3HE LYS 49 -27.231 26.389 7.084 437 1HZ LYS 49 1HZ LYS 49 -24.687 25.411 5.976 438 2HZ LYS 49 2HZ LYS 49 -24.832 26.558 7.143 439 3HZ LYS 49 3HZ LYS 49 -25.330 25.014 7.439 440 H SER 50 H SER 50 -22.644 23.567 2.062 441 HA SER 50 HA SER 50 -20.960 25.112 1.838 442 1HB SER 50 2HB SER 50 -22.979 26.964 3.170 443 2HB SER 50 3HB SER 50 -21.646 27.427 2.093 444 HG SER 50 HG SER 50 -23.793 25.701 1.371 445 H GLN 51 H GLN 51 -20.171 23.611 3.752 446 HA GLN 51 HA GLN 51 -19.272 23.241 5.713 447 1HB GLN 51 2HB GLN 51 -17.222 24.244 6.123 448 2HB GLN 51 3HB GLN 51 -17.411 24.099 4.381 449 1HG GLN 51 2HG GLN 51 -17.949 26.728 5.826 450 2HG GLN 51 3HG GLN 51 -16.324 26.207 5.429 451 1HE2 GLN 51 1HE2 GLN 51 -19.227 27.623 4.191 452 2HE2 GLN 51 2HE2 GLN 51 -18.514 28.038 2.609 453 H LYS 52 H LYS 52 -21.738 24.489 6.102 454 HA LYS 52 HA LYS 52 -23.001 24.994 7.853 455 1HB LYS 52 2HB LYS 52 -20.492 25.056 9.583 456 2HB LYS 52 3HB LYS 52 -22.139 25.310 10.125 457 1HG LYS 52 2HG LYS 52 -21.580 23.075 10.604 458 2HG LYS 52 3HG LYS 52 -22.795 23.062 9.321 459 1HD LYS 52 2HD LYS 52 -21.107 22.448 7.661 460 2HD LYS 52 3HD LYS 52 -19.794 22.781 8.810 461 1HE LYS 52 2HE LYS 52 -20.157 20.374 8.551 462 2HE LYS 52 3HE LYS 52 -20.545 20.873 10.206 463 1HZ LYS 52 1HZ LYS 52 -22.860 20.856 9.588 464 2HZ LYS 52 2HZ LYS 52 -22.486 20.414 8.042 465 3HZ LYS 52 3HZ LYS 52 -22.175 19.388 9.281 466 H LYS 53 H LYS 53 -20.068 27.028 8.265 467 HA LYS 53 HA LYS 53 -21.780 29.442 8.233 468 1HB LYS 53 2HB LYS 53 -19.306 30.502 8.379 469 2HB LYS 53 3HB LYS 53 -20.370 30.119 9.721 470 1HG LYS 53 2HG LYS 53 -18.258 29.362 10.355 471 2HG LYS 53 3HG LYS 53 -19.220 27.926 10.036 472 1HD LYS 53 2HD LYS 53 -18.106 27.862 7.718 473 2HD LYS 53 3HD LYS 53 -17.130 29.241 8.222 474 1HE LYS 53 2HE LYS 53 -15.863 27.178 8.454 475 2HE LYS 53 3HE LYS 53 -16.157 27.864 10.061 476 1HZ LYS 53 1HZ LYS 53 -16.539 25.470 9.898 477 2HZ LYS 53 2HZ LYS 53 -17.894 26.283 10.368 478 3HZ LYS 53 3HZ LYS 53 -17.766 25.733 8.821 479 HA PRO 54 HA PRO 54 -21.274 29.121 3.868 480 1HB PRO 54 2HB PRO 54 -22.722 31.238 2.969 481 2HB PRO 54 3HB PRO 54 -23.449 29.881 3.867 482 1HG PRO 54 2HG PRO 54 -22.506 32.523 5.027 483 2HG PRO 54 3HG PRO 54 -24.127 31.781 5.195 484 1HD PRO 54 2HD PRO 54 -22.229 31.428 7.099 485 2HD PRO 54 3HD PRO 54 -23.291 30.069 6.613 486 H GLU 55 H GLU 55 -18.847 29.637 4.549 487 HA GLU 55 HA GLU 55 -17.756 32.119 3.466 488 1HB GLU 55 2HB GLU 55 -16.482 29.369 3.847 489 2HB GLU 55 3HB GLU 55 -15.622 30.873 3.512 490 1HG GLU 55 2HG GLU 55 -16.362 31.820 5.663 491 2HG GLU 55 3HG GLU 55 -17.297 30.357 6.015
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