NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11867 | 1s6o | 6130 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -9.788 9.827 11.966 2 2H GLY 1 2H GLY 1 -11.059 10.866 11.615 3 3H GLY 1 3H GLY 1 -11.079 9.270 11.136 4 1HA GLY 1 1HA GLY 1 -10.461 10.383 9.209 5 2HA GLY 1 2HA GLY 1 -9.313 11.384 10.137 6 H GLU 2 HN GLU 2 -8.663 9.574 7.890 7 HA GLU 2 HA GLU 2 -7.618 7.126 8.998 8 1HB GLU 2 2HB GLU 2 -7.226 8.418 6.260 9 2HB GLU 2 3HB GLU 2 -7.017 6.697 6.682 10 1HG GLU 2 2HG GLU 2 -9.690 8.193 6.756 11 2HG GLU 2 3HG GLU 2 -9.105 7.089 5.525 12 H VAL 3 HN VAL 3 -5.327 6.471 8.184 13 HA VAL 3 HA VAL 3 -3.380 8.585 8.943 14 HB VAL 3 HB VAL 3 -3.107 5.621 9.550 15 1HG1 VAL 3 1HG1 VAL 3 -1.833 8.168 10.669 16 2HG1 VAL 3 2HG1 VAL 3 -1.545 6.516 11.230 17 3HG1 VAL 3 3HG1 VAL 3 -1.052 6.989 9.589 18 1HG2 VAL 3 1HG2 VAL 3 -3.754 6.161 11.899 19 2HG2 VAL 3 2HG2 VAL 3 -4.299 7.764 11.364 20 3HG2 VAL 3 3HG2 VAL 3 -5.115 6.291 10.787 21 H VAL 4 HN VAL 4 -1.600 8.745 7.625 22 HA VAL 4 HA VAL 4 -1.683 7.378 5.061 23 HB VAL 4 HB VAL 4 -1.035 9.899 5.812 24 1HG1 VAL 4 1HG1 VAL 4 1.085 9.095 6.846 25 2HG1 VAL 4 2HG1 VAL 4 1.574 8.477 5.244 26 3HG1 VAL 4 3HG1 VAL 4 1.344 10.224 5.494 27 1HG2 VAL 4 1HG2 VAL 4 -0.097 8.361 3.371 28 2HG2 VAL 4 2HG2 VAL 4 -1.664 9.177 3.594 29 3HG2 VAL 4 3HG2 VAL 4 -0.173 10.134 3.523 30 H LEU 5 HN LEU 5 -0.186 5.972 4.219 31 HA LEU 5 HA LEU 5 2.131 5.131 5.871 32 1HB LEU 5 2HB LEU 5 0.808 3.375 6.466 33 2HB LEU 5 3HB LEU 5 -0.237 3.501 5.062 34 HG LEU 5 HG LEU 5 0.967 1.419 5.107 35 1HD1 LEU 5 1HD1 LEU 5 0.974 1.272 2.892 36 2HD1 LEU 5 2HD1 LEU 5 0.530 2.961 2.934 37 3HD1 LEU 5 3HD1 LEU 5 2.226 2.509 2.698 38 1HD2 LEU 5 1HD2 LEU 5 3.488 1.474 4.494 39 2HD2 LEU 5 2HD2 LEU 5 3.439 3.033 5.328 40 3HD2 LEU 5 3HD2 LEU 5 2.911 1.577 6.167 41 H LYS 6 HN LYS 6 3.906 4.755 4.509 42 HA LYS 6 HA LYS 6 3.439 4.853 1.599 43 1HB LYS 6 2HB LYS 6 5.084 6.650 3.172 44 2HB LYS 6 3HB LYS 6 6.154 5.630 2.219 45 1HG LYS 6 2HG LYS 6 3.994 6.477 0.493 46 2HG LYS 6 3HG LYS 6 4.470 7.887 1.385 47 1HD LYS 6 2HD LYS 6 6.493 6.065 0.007 48 2HD LYS 6 3HD LYS 6 5.515 7.188 -0.917 49 1HE LYS 6 2HE LYS 6 7.118 8.710 -0.593 50 2HE LYS 6 3HE LYS 6 6.489 8.889 1.050 51 1HZ LYS 6 1HZ LYS 6 8.648 7.086 0.170 52 2HZ LYS 6 2HZ LYS 6 8.855 8.495 0.991 53 3HZ LYS 6 3HZ LYS 6 8.108 7.208 1.719 54 H MET 7 HN MET 7 4.221 3.267 0.450 55 HA MET 7 HA MET 7 5.679 1.054 1.824 56 1HB MET 7 2HB MET 7 4.296 -0.468 0.381 57 2HB MET 7 3HB MET 7 3.384 0.345 1.666 58 1HG MET 7 2HG MET 7 2.087 1.516 0.271 59 2HG MET 7 3HG MET 7 3.381 1.826 -0.865 60 1HE MET 7 1HE MET 7 1.239 -1.073 0.509 61 2HE MET 7 2HE MET 7 0.866 -1.960 -0.986 62 3HE MET 7 3HE MET 7 2.473 -2.125 -0.252 63 H LYS 8 HN LYS 8 6.954 -0.210 0.418 64 HA LYS 8 HA LYS 8 7.855 1.154 -2.065 65 1HB LYS 8 2HB LYS 8 9.216 -0.352 0.081 66 2HB LYS 8 3HB LYS 8 9.559 -1.041 -1.506 67 1HG LYS 8 2HG LYS 8 10.033 1.804 -0.617 68 2HG LYS 8 3HG LYS 8 11.266 0.549 -0.886 69 1HD LYS 8 2HD LYS 8 10.287 0.504 -3.324 70 2HD LYS 8 3HD LYS 8 9.568 2.053 -2.891 71 1HE LYS 8 2HE LYS 8 12.074 2.622 -2.131 72 2HE LYS 8 3HE LYS 8 12.441 1.390 -3.355 73 1HZ LYS 8 1HZ LYS 8 10.942 3.896 -3.610 74 2HZ LYS 8 2HZ LYS 8 12.312 3.484 -4.438 75 3HZ LYS 8 3HZ LYS 8 10.895 2.733 -4.803 76 H VAL 9 HN VAL 9 7.629 0.100 -4.011 77 HA VAL 9 HA VAL 9 6.352 -2.603 -3.945 78 HB VAL 9 HB VAL 9 5.523 -0.371 -5.836 79 1HG1 VAL 9 1HG1 VAL 9 4.280 -3.075 -5.107 80 2HG1 VAL 9 2HG1 VAL 9 3.679 -1.926 -6.320 81 3HG1 VAL 9 3HG1 VAL 9 5.224 -2.762 -6.571 82 1HG2 VAL 9 1HG2 VAL 9 4.182 -1.358 -3.285 83 2HG2 VAL 9 2HG2 VAL 9 4.787 0.287 -3.590 84 3HG2 VAL 9 3HG2 VAL 9 3.403 -0.328 -4.507 85 H GLU 10 HN GLU 10 8.732 -2.929 -4.026 86 HA GLU 10 HA GLU 10 10.134 -2.332 -6.490 87 1HB GLU 10 2HB GLU 10 10.707 -4.318 -4.267 88 2HB GLU 10 3HB GLU 10 11.833 -3.882 -5.563 89 1HG GLU 10 2HG GLU 10 10.678 -1.840 -3.596 90 2HG GLU 10 3HG GLU 10 12.226 -2.657 -3.427 91 H GLY 11 HN GLY 11 11.035 -4.220 -7.835 92 1HA GLY 11 1HA GLY 11 10.909 -6.343 -8.754 93 2HA GLY 11 2HA GLY 11 9.418 -6.677 -7.877 94 H MET 12 HN MET 12 7.822 -4.475 -8.818 95 HA MET 12 HA MET 12 6.805 -5.587 -11.220 96 1HB MET 12 2HB MET 12 6.442 -2.825 -9.997 97 2HB MET 12 3HB MET 12 5.535 -3.404 -11.407 98 1HG MET 12 2HG MET 12 4.598 -5.247 -10.143 99 2HG MET 12 3HG MET 12 5.600 -4.846 -8.736 100 1HE MET 12 1HE MET 12 3.669 -4.993 -7.181 101 2HE MET 12 2HE MET 12 2.211 -3.989 -7.252 102 3HE MET 12 3HE MET 12 2.438 -5.300 -8.439 103 H THR 13 HN THR 13 8.729 -2.644 -10.806 104 HA THR 13 HA THR 13 9.836 -1.305 -12.227 105 HB THR 13 HB THR 13 11.410 -3.068 -11.701 106 HG1 THR 13 1HG THR 13 11.573 -1.880 -14.256 107 1HG2 THR 13 1HG2 THR 13 10.591 -4.207 -14.398 108 2HG2 THR 13 2HG2 THR 13 12.064 -4.654 -13.508 109 3HG2 THR 13 3HG2 THR 13 10.474 -5.003 -12.816 110 H CYS 14 HN CYS 14 7.152 -2.086 -13.393 111 HA CYS 14 HA CYS 14 7.667 -1.030 -16.094 112 1HB CYS 14 2HB CYS 14 6.960 -3.850 -15.516 113 2HB CYS 14 3HB CYS 14 5.716 -3.043 -16.483 114 HG CYS 14 HG CYS 14 7.295 -4.322 -18.051 115 H HIS 15 HN HIS 15 6.105 0.368 -16.650 116 HA HIS 15 HA HIS 15 4.118 1.160 -14.682 117 1HB HIS 15 2HB HIS 15 3.608 2.910 -16.460 118 2HB HIS 15 3HB HIS 15 5.219 2.905 -15.759 119 HD1 HIS 15 1HD HIS 15 7.242 2.630 -17.373 120 HD2 HIS 15 2HD HIS 15 3.483 1.876 -19.120 121 HE1 HIS 15 1HE HIS 15 7.641 2.290 -19.872 122 H SER 16 HN SER 16 3.369 -1.289 -15.056 123 HA SER 16 HA SER 16 0.800 -1.105 -16.519 124 1HB SER 16 2HB SER 16 2.736 -1.988 -18.001 125 2HB SER 16 3HB SER 16 2.672 -3.442 -16.982 126 HG SER 16 HG SER 16 1.328 -3.601 -18.861 127 H CYS 17 HN CYS 17 1.915 -1.283 -13.694 128 HA CYS 17 HA CYS 17 -0.028 -3.222 -12.678 129 1HB CYS 17 2HB CYS 17 2.955 -3.645 -12.414 130 2HB CYS 17 3HB CYS 17 1.928 -3.932 -10.998 131 HG CYS 17 HG CYS 17 2.334 -6.178 -11.973 132 H THR 18 HN THR 18 -0.618 -0.796 -12.708 133 HA THR 18 HA THR 18 -0.130 0.189 -9.916 134 HB THR 18 HB THR 18 -0.653 2.457 -10.844 135 HG1 THR 18 1HG THR 18 -0.618 2.715 -13.097 136 1HG2 THR 18 1HG2 THR 18 1.696 1.180 -12.330 137 2HG2 THR 18 2HG2 THR 18 1.510 2.886 -11.871 138 3HG2 THR 18 3HG2 THR 18 1.725 1.647 -10.621 139 H SER 19 HN SER 19 -2.434 1.043 -12.436 140 HA SER 19 HA SER 19 -4.511 1.261 -10.717 141 1HB SER 19 2HB SER 19 -4.497 2.101 -13.081 142 2HB SER 19 3HB SER 19 -4.776 0.441 -13.658 143 HG SER 19 HG SER 19 -6.699 1.754 -13.483 144 H THR 20 HN THR 20 -3.882 -1.763 -12.398 145 HA THR 20 HA THR 20 -5.909 -3.300 -11.313 146 HB THR 20 HB THR 20 -2.924 -3.861 -11.736 147 HG1 THR 20 1HG THR 20 -3.781 -4.836 -13.631 148 1HG2 THR 20 1HG2 THR 20 -5.218 -5.725 -11.097 149 2HG2 THR 20 2HG2 THR 20 -3.654 -6.274 -11.775 150 3HG2 THR 20 3HG2 THR 20 -3.709 -5.495 -10.182 151 H ILE 21 HN ILE 21 -2.758 -2.559 -9.728 152 HA ILE 21 HA ILE 21 -3.418 -3.927 -7.298 153 HB ILE 21 HB ILE 21 -1.256 -2.045 -8.297 154 1HG1 ILE 21 2HG1 ILE 21 0.020 -4.093 -7.225 155 2HG1 ILE 21 3HG1 ILE 21 -1.496 -4.945 -7.435 156 1HG2 ILE 21 1HG2 ILE 21 -1.428 -2.868 -5.407 157 2HG2 ILE 21 2HG2 ILE 21 -0.107 -2.014 -6.256 158 3HG2 ILE 21 3HG2 ILE 21 -1.658 -1.214 -6.051 159 1HD1 ILE 21 1HD1 ILE 21 0.141 -3.502 -9.543 160 2HD1 ILE 21 2HD1 ILE 21 0.015 -5.260 -9.355 161 3HD1 ILE 21 3HD1 ILE 21 -1.393 -4.328 -9.892 162 H GLU 22 HN GLU 22 -3.637 -0.490 -8.379 163 HA GLU 22 HA GLU 22 -4.311 0.530 -5.863 164 1HB GLU 22 2HB GLU 22 -4.964 1.519 -8.657 165 2HB GLU 22 3HB GLU 22 -5.246 2.470 -7.210 166 1HG GLU 22 2HG GLU 22 -2.903 2.372 -6.601 167 2HG GLU 22 3HG GLU 22 -2.506 1.295 -7.930 168 H GLY 23 HN GLY 23 -6.478 -0.027 -8.533 169 1HA GLY 23 1HA GLY 23 -9.012 0.074 -7.395 170 2HA GLY 23 2HA GLY 23 -8.575 -0.987 -8.745 171 H LYS 24 HN LYS 24 -6.999 -2.954 -7.710 172 HA LYS 24 HA LYS 24 -8.852 -4.652 -6.409 173 1HB LYS 24 2HB LYS 24 -6.851 -5.413 -7.737 174 2HB LYS 24 3HB LYS 24 -5.808 -4.839 -6.434 175 1HG LYS 24 2HG LYS 24 -5.951 -7.088 -5.941 176 2HG LYS 24 3HG LYS 24 -7.225 -6.452 -4.906 177 1HD LYS 24 2HD LYS 24 -8.649 -6.935 -7.224 178 2HD LYS 24 3HD LYS 24 -7.352 -8.131 -7.381 179 1HE LYS 24 2HE LYS 24 -7.960 -8.805 -4.917 180 2HE LYS 24 3HE LYS 24 -9.411 -7.815 -5.146 181 1HZ LYS 24 1HZ LYS 24 -8.632 -10.202 -6.690 182 2HZ LYS 24 2HZ LYS 24 -9.882 -10.075 -5.635 183 3HZ LYS 24 3HZ LYS 24 -9.928 -9.257 -7.062 184 H ILE 25 HN ILE 25 -5.964 -2.969 -5.070 185 HA ILE 25 HA ILE 25 -6.335 -3.854 -2.428 186 HB ILE 25 HB ILE 25 -4.742 -1.662 -3.741 187 1HG1 ILE 25 2HG1 ILE 25 -4.019 -3.942 -4.291 188 2HG1 ILE 25 3HG1 ILE 25 -2.818 -2.997 -3.404 189 1HG2 ILE 25 1HG2 ILE 25 -3.425 -1.485 -1.664 190 2HG2 ILE 25 2HG2 ILE 25 -5.018 -0.699 -1.716 191 3HG2 ILE 25 3HG2 ILE 25 -4.821 -2.239 -0.852 192 1HD1 ILE 25 1HD1 ILE 25 -4.645 -5.150 -2.303 193 2HD1 ILE 25 2HD1 ILE 25 -2.891 -5.230 -2.517 194 3HD1 ILE 25 3HD1 ILE 25 -3.589 -4.110 -1.319 195 H GLY 26 HN GLY 26 -7.667 -1.137 -4.206 196 1HA GLY 26 1HA GLY 26 -8.826 0.427 -2.251 197 2HA GLY 26 2HA GLY 26 -9.563 0.024 -3.806 198 H LYS 27 HN LYS 27 -9.672 -3.033 -2.871 199 HA LYS 27 HA LYS 27 -12.276 -2.703 -1.515 200 1HB LYS 27 2HB LYS 27 -10.888 -4.850 -3.113 201 2HB LYS 27 3HB LYS 27 -12.118 -5.285 -1.946 202 1HG LYS 27 2HG LYS 27 -13.716 -3.734 -2.994 203 2HG LYS 27 3HG LYS 27 -12.504 -3.295 -4.216 204 1HD LYS 27 2HD LYS 27 -12.436 -5.537 -5.095 205 2HD LYS 27 3HD LYS 27 -13.408 -6.188 -3.773 206 1HE LYS 27 2HE LYS 27 -14.412 -4.154 -5.831 207 2HE LYS 27 3HE LYS 27 -14.654 -5.902 -5.950 208 1HZ LYS 27 1HZ LYS 27 -15.684 -4.200 -3.777 209 2HZ LYS 27 2HZ LYS 27 -16.560 -4.839 -5.009 210 3HZ LYS 27 3HZ LYS 27 -15.882 -5.829 -3.889 211 H LEU 28 HN LEU 28 -8.938 -3.179 -0.599 212 HA LEU 28 HA LEU 28 -9.369 -5.249 1.212 213 1HB LEU 28 2HB LEU 28 -7.281 -3.061 1.105 214 2HB LEU 28 3HB LEU 28 -7.225 -4.448 2.182 215 HG LEU 28 HG LEU 28 -6.054 -4.305 -0.319 216 1HD1 LEU 28 1HD1 LEU 28 -5.358 -5.622 1.625 217 2HD1 LEU 28 2HD1 LEU 28 -6.778 -6.673 1.404 218 3HD1 LEU 28 3HD1 LEU 28 -5.478 -6.644 0.178 219 1HD2 LEU 28 1HD2 LEU 28 -8.350 -6.296 -0.384 220 2HD2 LEU 28 2HD2 LEU 28 -8.168 -4.912 -1.492 221 3HD2 LEU 28 3HD2 LEU 28 -7.008 -6.236 -1.541 222 H GLN 29 HN GLN 29 -9.728 -5.309 3.363 223 HA GLN 29 HA GLN 29 -11.469 -3.337 4.375 224 1HB GLN 29 2HB GLN 29 -11.070 -5.924 5.022 225 2HB GLN 29 3HB GLN 29 -10.068 -5.204 6.286 226 1HG GLN 29 2HG GLN 29 -12.187 -5.304 7.308 227 2HG GLN 29 3HG GLN 29 -12.136 -3.643 6.693 228 1HE2 GLN 29 2HE2 GLN 29 -13.208 -6.954 5.735 229 2HE2 GLN 29 1HE2 GLN 29 -14.609 -6.383 4.842 230 H GLY 30 HN GLY 30 -10.891 -1.318 4.982 231 1HA GLY 30 1HA GLY 30 -9.975 -0.025 6.821 232 2HA GLY 30 2HA GLY 30 -8.456 -0.933 6.703 233 H VAL 31 HN VAL 31 -8.987 -0.670 3.513 234 HA VAL 31 HA VAL 31 -7.280 1.688 3.447 235 HB VAL 31 HB VAL 31 -8.155 -0.515 1.591 236 1HG1 VAL 31 1HG1 VAL 31 -7.132 0.601 -0.368 237 2HG1 VAL 31 2HG1 VAL 31 -8.656 1.329 0.147 238 3HG1 VAL 31 3HG1 VAL 31 -7.107 2.134 0.531 239 1HG2 VAL 31 1HG2 VAL 31 -5.696 -0.527 1.143 240 2HG2 VAL 31 2HG2 VAL 31 -5.518 0.873 2.216 241 3HG2 VAL 31 3HG2 VAL 31 -6.064 -0.680 2.879 242 H GLN 32 HN GLN 32 -7.763 3.646 2.743 243 HA GLN 32 HA GLN 32 -10.581 4.261 1.956 244 1HB GLN 32 2HB GLN 32 -8.870 5.247 4.021 245 2HB GLN 32 3HB GLN 32 -9.348 6.581 2.961 246 1HG GLN 32 2HG GLN 32 -11.451 4.608 3.941 247 2HG GLN 32 3HG GLN 32 -10.824 5.793 5.048 248 1HE2 GLN 32 2HE2 GLN 32 -12.755 5.418 2.104 249 2HE2 GLN 32 1HE2 GLN 32 -13.313 7.084 2.092 250 H ARG 33 HN ARG 33 -7.104 5.056 1.324 251 HA ARG 33 HA ARG 33 -7.900 5.385 -1.468 252 1HB ARG 33 2HB ARG 33 -7.843 7.721 -0.038 253 2HB ARG 33 3HB ARG 33 -6.123 7.566 -0.389 254 1HG ARG 33 2HG ARG 33 -7.031 8.909 -2.106 255 2HG ARG 33 3HG ARG 33 -6.778 7.332 -2.868 256 1HD ARG 33 2HD ARG 33 -9.228 6.828 -2.450 257 2HD ARG 33 3HD ARG 33 -9.391 8.443 -1.735 258 HE ARG 33 HE ARG 33 -8.270 8.677 -4.352 259 1HH1 ARG 33 1HH2 ARG 33 -11.283 7.754 -2.787 260 2HH1 ARG 33 2HH2 ARG 33 -12.319 8.266 -4.082 261 1HH2 ARG 33 1HH1 ARG 33 -9.604 9.382 -6.117 262 2HH2 ARG 33 2HH1 ARG 33 -11.324 9.213 -6.031 263 H ILE 34 HN ILE 34 -6.094 5.334 -2.932 264 HA ILE 34 HA ILE 34 -3.502 4.534 -1.838 265 HB ILE 34 HB ILE 34 -4.691 2.444 -2.214 266 1HG1 ILE 34 2HG1 ILE 34 -2.789 2.737 -4.527 267 2HG1 ILE 34 3HG1 ILE 34 -2.185 2.920 -2.901 268 1HG2 ILE 34 1HG2 ILE 34 -6.349 3.189 -3.948 269 2HG2 ILE 34 2HG2 ILE 34 -5.044 3.292 -5.139 270 3HG2 ILE 34 3HG2 ILE 34 -5.500 1.741 -4.454 271 1HD1 ILE 34 1HD1 ILE 34 -3.667 0.433 -3.850 272 2HD1 ILE 34 2HD1 ILE 34 -1.906 0.597 -3.730 273 3HD1 ILE 34 3HD1 ILE 34 -2.922 0.673 -2.282 274 H LYS 35 HN LYS 35 -1.808 5.216 -3.119 275 HA LYS 35 HA LYS 35 -2.303 6.159 -5.890 276 1HB LYS 35 2HB LYS 35 -0.802 7.682 -3.693 277 2HB LYS 35 3HB LYS 35 -0.560 7.931 -5.414 278 1HG LYS 35 2HG LYS 35 -1.977 9.582 -5.143 279 2HG LYS 35 3HG LYS 35 -3.196 8.340 -5.437 280 1HD LYS 35 2HD LYS 35 -3.819 8.271 -3.143 281 2HD LYS 35 3HD LYS 35 -2.287 8.988 -2.599 282 1HE LYS 35 2HE LYS 35 -2.851 11.148 -3.636 283 2HE LYS 35 3HE LYS 35 -4.371 10.488 -4.260 284 1HZ LYS 35 1HZ LYS 35 -3.678 10.783 -1.405 285 2HZ LYS 35 2HZ LYS 35 -4.647 11.791 -2.263 286 3HZ LYS 35 3HZ LYS 35 -5.115 10.240 -1.997 287 H VAL 36 HN VAL 36 -1.052 4.659 -7.011 288 HA VAL 36 HA VAL 36 1.554 3.822 -5.797 289 HB VAL 36 HB VAL 36 -0.136 2.591 -7.990 290 1HG1 VAL 36 1HG1 VAL 36 2.545 1.690 -6.847 291 2HG1 VAL 36 2HG1 VAL 36 1.501 0.744 -7.942 292 3HG1 VAL 36 3HG1 VAL 36 2.259 2.244 -8.506 293 1HG2 VAL 36 1HG2 VAL 36 -0.356 0.745 -6.380 294 2HG2 VAL 36 2HG2 VAL 36 0.698 1.585 -5.225 295 3HG2 VAL 36 3HG2 VAL 36 -0.892 2.244 -5.604 296 H SER 37 HN SER 37 3.464 4.514 -6.614 297 HA SER 37 HA SER 37 3.471 5.988 -9.222 298 1HB SER 37 2HB SER 37 3.800 7.446 -7.263 299 2HB SER 37 3HB SER 37 5.144 6.420 -6.743 300 HG SER 37 HG SER 37 4.978 8.064 -9.042 301 H LEU 38 HN LEU 38 3.841 3.946 -10.339 302 HA LEU 38 HA LEU 38 5.912 2.178 -9.683 303 1HB LEU 38 2HB LEU 38 3.983 2.413 -11.732 304 2HB LEU 38 3HB LEU 38 5.498 2.532 -12.603 305 HG LEU 38 HG LEU 38 4.553 0.314 -12.427 306 1HD1 LEU 38 1HD1 LEU 38 6.635 -0.896 -11.805 307 2HD1 LEU 38 2HD1 LEU 38 6.996 0.560 -12.760 308 3HD1 LEU 38 3HD1 LEU 38 7.251 0.554 -11.002 309 1HD2 LEU 38 1HD2 LEU 38 5.299 0.080 -9.506 310 2HD2 LEU 38 2HD2 LEU 38 3.667 0.532 -10.046 311 3HD2 LEU 38 3HD2 LEU 38 4.374 -1.014 -10.537 312 H ASP 39 HN ASP 39 6.000 5.238 -11.585 313 HA ASP 39 HA ASP 39 8.590 5.448 -12.391 314 1HB ASP 39 2HB ASP 39 7.137 7.559 -10.726 315 2HB ASP 39 3HB ASP 39 8.388 7.815 -11.920 316 H ASN 40 HN ASN 40 7.362 6.261 -9.113 317 HA ASN 40 HA ASN 40 10.014 6.745 -8.226 318 1HB ASN 40 2HB ASN 40 7.875 7.930 -7.529 319 2HB ASN 40 3HB ASN 40 7.612 6.589 -6.403 320 1HD2 ASN 40 2HD2 ASN 40 7.914 9.353 -5.669 321 2HD2 ASN 40 1HD2 ASN 40 9.425 9.511 -4.787 322 H GLN 41 HN GLN 41 8.124 3.958 -8.570 323 HA GLN 41 HA GLN 41 8.223 1.809 -7.999 324 1HB GLN 41 2HB GLN 41 10.940 2.239 -6.688 325 2HB GLN 41 3HB GLN 41 10.292 0.790 -7.470 326 1HG GLN 41 2HG GLN 41 10.125 2.146 -9.583 327 2HG GLN 41 3HG GLN 41 10.988 3.439 -8.757 328 1HE2 GLN 41 2HE2 GLN 41 11.539 0.976 -10.894 329 2HE2 GLN 41 1HE2 GLN 41 13.229 0.682 -10.516 330 H GLU 42 HN GLU 42 7.155 3.853 -6.423 331 HA GLU 42 HA GLU 42 7.005 2.664 -3.700 332 1HB GLU 42 2HB GLU 42 8.813 4.627 -4.167 333 2HB GLU 42 3HB GLU 42 7.422 5.657 -3.884 334 1HG GLU 42 2HG GLU 42 7.216 4.918 -1.646 335 2HG GLU 42 3HG GLU 42 8.114 3.443 -1.915 336 H ALA 43 HN ALA 43 5.184 3.514 -2.412 337 HA ALA 43 HA ALA 43 2.958 4.674 -4.032 338 1HB ALA 43 1HB ALA 43 2.830 2.402 -4.626 339 2HB ALA 43 2HB ALA 43 3.150 1.866 -2.999 340 3HB ALA 43 3HB ALA 43 1.592 2.653 -3.363 341 H THR 44 HN THR 44 1.107 5.255 -2.635 342 HA THR 44 HA THR 44 1.767 5.622 0.230 343 HB THR 44 HB THR 44 0.693 7.558 -1.871 344 HG1 THR 44 1HG THR 44 2.530 8.724 -1.329 345 1HG2 THR 44 1HG2 THR 44 0.928 7.837 1.145 346 2HG2 THR 44 2HG2 THR 44 0.597 9.186 0.026 347 3HG2 THR 44 3HG2 THR 44 -0.564 7.855 0.173 348 H ILE 45 HN ILE 45 0.144 4.644 1.391 349 HA ILE 45 HA ILE 45 -2.545 4.487 0.131 350 HB ILE 45 HB ILE 45 -1.289 2.464 1.971 351 1HG1 ILE 45 2HG1 ILE 45 -2.207 2.160 -0.880 352 2HG1 ILE 45 3HG1 ILE 45 -0.537 2.633 -0.572 353 1HG2 ILE 45 1HG2 ILE 45 -3.307 1.147 1.542 354 2HG2 ILE 45 2HG2 ILE 45 -3.752 2.654 2.314 355 3HG2 ILE 45 3HG2 ILE 45 -3.998 2.453 0.572 356 1HD1 ILE 45 1HD1 ILE 45 -1.791 0.082 0.396 357 2HD1 ILE 45 2HD1 ILE 45 -0.573 0.303 -0.867 358 3HD1 ILE 45 3HD1 ILE 45 -0.180 0.730 0.828 359 H VAL 46 HN VAL 46 -4.314 4.729 1.724 360 HA VAL 46 HA VAL 46 -3.520 5.897 4.309 361 HB VAL 46 HB VAL 46 -4.108 7.645 2.583 362 1HG1 VAL 46 1HG1 VAL 46 -5.952 6.525 1.723 363 2HG1 VAL 46 2HG1 VAL 46 -6.855 6.663 3.265 364 3HG1 VAL 46 3HG1 VAL 46 -6.450 8.126 2.321 365 1HG2 VAL 46 1HG2 VAL 46 -5.438 8.912 4.362 366 2HG2 VAL 46 2HG2 VAL 46 -5.382 7.412 5.318 367 3HG2 VAL 46 3HG2 VAL 46 -3.880 8.258 4.899 368 H TYR 47 HN TYR 47 -4.436 4.908 5.955 369 HA TYR 47 HA TYR 47 -6.959 3.505 5.802 370 1HB TYR 47 2HB TYR 47 -5.998 1.263 6.373 371 2HB TYR 47 3HB TYR 47 -5.501 1.795 4.781 372 HD1 TYR 47 1HD TYR 47 -4.284 1.618 8.368 373 HD2 TYR 47 2HD TYR 47 -3.283 1.553 4.181 374 HE1 TYR 47 1HE TYR 47 -1.961 1.122 8.942 375 HE2 TYR 47 2HE TYR 47 -1.045 0.756 4.741 376 HH TYR 47 HH TYR 47 0.126 0.582 8.133 377 H GLN 48 HN GLN 48 -7.174 2.194 8.069 378 HA GLN 48 HA GLN 48 -5.668 3.628 10.142 379 1HB GLN 48 2HB GLN 48 -7.839 3.236 11.467 380 2HB GLN 48 3HB GLN 48 -7.769 4.632 10.362 381 1HG GLN 48 2HG GLN 48 -8.969 3.383 8.693 382 2HG GLN 48 3HG GLN 48 -8.824 1.896 9.633 383 1HE2 GLN 48 2HE2 GLN 48 -10.496 5.099 9.473 384 2HE2 GLN 48 1HE2 GLN 48 -11.766 4.621 10.591 385 HA PRO 49 HA PRO 49 -4.722 -0.427 11.737 386 1HB PRO 49 2HB PRO 49 -3.781 0.188 14.206 387 2HB PRO 49 3HB PRO 49 -2.926 0.659 12.719 388 1HG PRO 49 2HG PRO 49 -4.856 2.361 14.337 389 2HG PRO 49 3HG PRO 49 -3.203 2.796 13.838 390 1HD PRO 49 2HD PRO 49 -5.361 3.571 12.402 391 2HD PRO 49 3HD PRO 49 -3.859 3.056 11.575 392 H HIS 50 HN HIS 50 -7.095 -0.669 11.526 393 HA HIS 50 HA HIS 50 -8.229 -1.591 14.104 394 1HB HIS 50 2HB HIS 50 -9.270 0.730 12.534 395 2HB HIS 50 3HB HIS 50 -10.472 -0.522 12.829 396 HD1 HIS 50 1HD HIS 50 -7.788 0.803 15.288 397 HD2 HIS 50 2HD HIS 50 -11.926 0.207 14.808 398 HE1 HIS 50 1HE HIS 50 -8.893 1.456 17.512 399 H LEU 51 HN LEU 51 -8.930 -1.079 10.644 400 HA LEU 51 HA LEU 51 -10.189 -3.718 10.436 401 1HB LEU 51 2HB LEU 51 -9.713 -1.429 8.556 402 2HB LEU 51 3HB LEU 51 -10.541 -2.913 8.063 403 HG LEU 51 HG LEU 51 -11.471 -1.316 10.469 404 1HD1 LEU 51 1HD1 LEU 51 -11.399 0.320 8.682 405 2HD1 LEU 51 2HD1 LEU 51 -12.259 -0.786 7.582 406 3HD1 LEU 51 3HD1 LEU 51 -13.079 -0.119 9.010 407 1HD2 LEU 51 1HD2 LEU 51 -13.607 -2.313 10.111 408 2HD2 LEU 51 2HD2 LEU 51 -13.138 -2.965 8.540 409 3HD2 LEU 51 3HD2 LEU 51 -12.429 -3.631 10.025 410 H ILE 52 HN ILE 52 -6.987 -2.286 9.931 411 HA ILE 52 HA ILE 52 -6.055 -4.794 8.735 412 HB ILE 52 HB ILE 52 -6.285 -2.852 7.155 413 1HG1 ILE 52 2HG1 ILE 52 -4.067 -3.163 6.181 414 2HG1 ILE 52 3HG1 ILE 52 -3.460 -3.983 7.603 415 1HG2 ILE 52 1HG2 ILE 52 -3.856 -1.761 8.563 416 2HG2 ILE 52 2HG2 ILE 52 -4.847 -1.014 7.287 417 3HG2 ILE 52 3HG2 ILE 52 -5.501 -1.223 8.925 418 1HD1 ILE 52 1HD1 ILE 52 -5.933 -4.916 6.105 419 2HD1 ILE 52 2HD1 ILE 52 -4.296 -5.427 5.622 420 3HD1 ILE 52 3HD1 ILE 52 -4.923 -5.861 7.226 421 H SER 53 HN SER 53 -3.971 -5.469 9.322 422 HA SER 53 HA SER 53 -3.206 -4.644 11.994 423 1HB SER 53 2HB SER 53 -2.180 -6.769 10.231 424 2HB SER 53 3HB SER 53 -1.815 -6.609 11.955 425 HG SER 53 HG SER 53 -3.547 -8.076 11.693 426 H VAL 54 HN VAL 54 -2.698 -2.902 9.748 427 HA VAL 54 HA VAL 54 -1.260 -1.303 9.120 428 HB VAL 54 HB VAL 54 -0.292 -2.102 11.709 429 1HG1 VAL 54 1HG1 VAL 54 2.023 -1.221 11.572 430 2HG1 VAL 54 2HG1 VAL 54 1.840 -2.801 10.822 431 3HG1 VAL 54 3HG1 VAL 54 1.942 -1.338 9.801 432 1HG2 VAL 54 1HG2 VAL 54 0.167 0.187 11.964 433 2HG2 VAL 54 2HG2 VAL 54 0.145 0.489 10.215 434 3HG2 VAL 54 3HG2 VAL 54 -1.354 0.029 11.066 435 H GLU 55 HN GLU 55 0.600 -4.236 9.714 436 HA GLU 55 HA GLU 55 2.241 -3.815 7.358 437 1HB GLU 55 2HB GLU 55 2.581 -5.080 9.824 438 2HB GLU 55 3HB GLU 55 2.425 -6.412 8.685 439 1HG GLU 55 2HG GLU 55 4.198 -5.301 7.240 440 2HG GLU 55 3HG GLU 55 4.308 -3.994 8.435 441 H GLU 56 HN GLU 56 -0.538 -5.890 8.324 442 HA GLU 56 HA GLU 56 -0.435 -7.810 6.354 443 1HB GLU 56 2HB GLU 56 -2.697 -6.356 7.737 444 2HB GLU 56 3HB GLU 56 -3.056 -7.473 6.416 445 1HG GLU 56 2HG GLU 56 -1.397 -8.237 8.828 446 2HG GLU 56 3HG GLU 56 -3.130 -8.590 8.648 447 H MET 57 HN MET 57 -1.806 -4.538 6.042 448 HA MET 57 HA MET 57 -2.689 -4.411 3.542 449 1HB MET 57 2HB MET 57 -1.764 -2.606 5.518 450 2HB MET 57 3HB MET 57 -0.895 -2.144 4.057 451 1HG MET 57 2HG MET 57 -3.937 -2.466 4.235 452 2HG MET 57 3HG MET 57 -3.020 -1.020 4.428 453 1HE MET 57 1HE MET 57 -5.008 -2.753 1.189 454 2HE MET 57 2HE MET 57 -3.549 -3.762 0.998 455 3HE MET 57 3HE MET 57 -4.445 -3.700 2.536 456 H LYS 58 HN LYS 58 0.834 -4.428 4.330 457 HA LYS 58 HA LYS 58 1.657 -4.023 1.549 458 1HB LYS 58 2HB LYS 58 2.856 -4.077 4.308 459 2HB LYS 58 3HB LYS 58 3.739 -5.012 3.166 460 1HG LYS 58 2HG LYS 58 4.784 -3.148 2.576 461 2HG LYS 58 3HG LYS 58 3.340 -2.643 1.725 462 1HD LYS 58 2HD LYS 58 4.085 -2.049 4.607 463 2HD LYS 58 3HD LYS 58 4.153 -0.920 3.264 464 1HE LYS 58 2HE LYS 58 2.124 -0.247 3.897 465 2HE LYS 58 3HE LYS 58 1.466 -1.734 3.230 466 1HZ LYS 58 1HZ LYS 58 2.372 -1.305 6.027 467 2HZ LYS 58 2HZ LYS 58 0.810 -1.338 5.598 468 3HZ LYS 58 3HZ LYS 58 1.698 -2.685 5.465 469 H LYS 59 HN LYS 59 1.460 -6.582 4.031 470 HA LYS 59 HA LYS 59 2.796 -8.567 2.505 471 1HB LYS 59 2HB LYS 59 0.944 -8.572 4.869 472 2HB LYS 59 3HB LYS 59 1.328 -10.097 4.078 473 1HG LYS 59 2HG LYS 59 2.841 -9.550 5.969 474 2HG LYS 59 3HG LYS 59 3.619 -9.884 4.412 475 1HD LYS 59 2HD LYS 59 4.020 -7.379 4.097 476 2HD LYS 59 3HD LYS 59 3.213 -7.100 5.641 477 1HE LYS 59 2HE LYS 59 5.657 -7.065 5.836 478 2HE LYS 59 3HE LYS 59 4.951 -8.353 6.828 479 1HZ LYS 59 1HZ LYS 59 5.976 -8.827 4.108 480 2HZ LYS 59 2HZ LYS 59 6.938 -8.952 5.446 481 3HZ LYS 59 3HZ LYS 59 5.632 -9.937 5.237 482 H GLN 60 HN GLN 60 -0.542 -7.405 2.295 483 HA GLN 60 HA GLN 60 -1.595 -9.566 0.749 484 1HB GLN 60 2HB GLN 60 -2.279 -6.622 0.649 485 2HB GLN 60 3HB GLN 60 -3.277 -7.952 0.097 486 1HG GLN 60 2HG GLN 60 -2.459 -8.394 2.864 487 2HG GLN 60 3HG GLN 60 -3.103 -6.756 2.683 488 1HE2 GLN 60 2HE2 GLN 60 -4.753 -7.555 4.233 489 2HE2 GLN 60 1HE2 GLN 60 -6.112 -8.460 3.595 490 H ILE 61 HN ILE 61 0.172 -6.627 0.019 491 HA ILE 61 HA ILE 61 0.158 -6.950 -2.884 492 HB ILE 61 HB ILE 61 1.745 -5.165 -1.079 493 1HG1 ILE 61 2HG1 ILE 61 0.515 -3.532 -2.747 494 2HG1 ILE 61 3HG1 ILE 61 -0.549 -4.876 -3.099 495 1HG2 ILE 61 1HG2 ILE 61 1.837 -5.271 -4.118 496 2HG2 ILE 61 2HG2 ILE 61 2.660 -4.113 -3.045 497 3HG2 ILE 61 3HG2 ILE 61 3.165 -5.810 -3.068 498 1HD1 ILE 61 1HD1 ILE 61 0.070 -3.871 -0.313 499 2HD1 ILE 61 2HD1 ILE 61 -1.292 -3.257 -1.276 500 3HD1 ILE 61 3HD1 ILE 61 -1.255 -4.964 -0.775 501 H GLU 62 HN GLU 62 2.450 -7.885 -0.267 502 HA GLU 62 HA GLU 62 4.482 -8.961 -1.978 503 1HB GLU 62 2HB GLU 62 3.584 -9.805 0.807 504 2HB GLU 62 3HB GLU 62 4.991 -10.466 -0.003 505 1HG GLU 62 2HG GLU 62 6.154 -8.405 -0.003 506 2HG GLU 62 3HG GLU 62 4.702 -7.471 0.420 507 H ALA 63 HN ALA 63 1.559 -10.387 -0.558 508 HA ALA 63 HA ALA 63 1.682 -12.954 -1.593 509 1HB ALA 63 1HB ALA 63 -0.563 -13.149 -0.949 510 2HB ALA 63 2HB ALA 63 0.055 -11.852 0.098 511 3HB ALA 63 3HB ALA 63 -0.930 -11.461 -1.320 512 H MET 64 HN MET 64 0.919 -9.986 -3.420 513 HA MET 64 HA MET 64 -0.504 -11.288 -5.565 514 1HB MET 64 2HB MET 64 1.178 -8.749 -5.641 515 2HB MET 64 3HB MET 64 0.014 -9.272 -6.852 516 1HG MET 64 2HG MET 64 -0.710 -8.673 -3.982 517 2HG MET 64 3HG MET 64 -0.831 -7.498 -5.285 518 1HE MET 64 1HE MET 64 -3.050 -8.607 -3.078 519 2HE MET 64 2HE MET 64 -3.249 -7.178 -4.123 520 3HE MET 64 3HE MET 64 -4.494 -8.452 -4.101 521 H GLY 65 HN GLY 65 2.885 -11.039 -4.638 522 1HA GLY 65 1HA GLY 65 4.180 -12.937 -5.696 523 2HA GLY 65 2HA GLY 65 3.766 -12.218 -7.259 524 H PHE 66 HN PHE 66 3.940 -9.444 -6.229 525 HA PHE 66 HA PHE 66 6.754 -9.135 -6.883 526 1HB PHE 66 2HB PHE 66 4.570 -7.116 -6.329 527 2HB PHE 66 3HB PHE 66 6.210 -6.710 -6.818 528 HD1 PHE 66 1HD PHE 66 2.941 -7.785 -8.028 529 HD2 PHE 66 2HD PHE 66 7.145 -7.744 -8.989 530 HE1 PHE 66 1HE PHE 66 2.408 -8.227 -10.405 531 HE2 PHE 66 2HE PHE 66 6.613 -8.222 -11.347 532 HZ PHE 66 HZ PHE 66 4.241 -8.421 -12.082 533 HA PRO 67 HA PRO 67 7.613 -9.025 -2.415 534 1HB PRO 67 2HB PRO 67 10.318 -8.617 -2.467 535 2HB PRO 67 3HB PRO 67 9.549 -10.183 -2.858 536 1HG PRO 67 2HG PRO 67 10.489 -8.060 -4.797 537 2HG PRO 67 3HG PRO 67 10.806 -9.819 -4.856 538 1HD PRO 67 2HD PRO 67 8.825 -8.640 -6.298 539 2HD PRO 67 3HD PRO 67 8.601 -10.273 -5.598 540 H ALA 68 HN ALA 68 6.759 -7.218 -1.490 541 HA ALA 68 HA ALA 68 7.548 -4.508 -2.404 542 1HB ALA 68 1HB ALA 68 5.183 -5.159 -2.502 543 2HB ALA 68 2HB ALA 68 5.187 -5.534 -0.765 544 3HB ALA 68 3HB ALA 68 5.406 -3.868 -1.320 545 H PHE 69 HN PHE 69 6.936 -3.116 -0.076 546 HA PHE 69 HA PHE 69 8.094 -4.355 2.198 547 1HB PHE 69 2HB PHE 69 10.146 -3.789 0.615 548 2HB PHE 69 3HB PHE 69 9.874 -2.139 1.116 549 HD1 PHE 69 1HD PHE 69 10.628 -1.390 3.316 550 HD2 PHE 69 2HD PHE 69 10.675 -5.575 2.265 551 HE1 PHE 69 1HE PHE 69 11.883 -1.893 5.383 552 HE2 PHE 69 2HE PHE 69 12.036 -6.058 4.284 553 HZ PHE 69 HZ PHE 69 12.642 -4.220 5.848 554 H VAL 70 HN VAL 70 8.397 -2.838 4.040 555 HA VAL 70 HA VAL 70 6.321 -0.736 3.996 556 HB VAL 70 HB VAL 70 5.970 -2.643 5.443 557 1HG1 VAL 70 1HG1 VAL 70 8.162 -1.450 7.098 558 2HG1 VAL 70 2HG1 VAL 70 7.195 -2.907 7.445 559 3HG1 VAL 70 3HG1 VAL 70 8.336 -2.893 6.070 560 1HG2 VAL 70 1HG2 VAL 70 6.287 -0.021 6.963 561 2HG2 VAL 70 2HG2 VAL 70 4.954 -0.319 5.839 562 3HG2 VAL 70 3HG2 VAL 70 5.132 -1.326 7.287 563 H LYS 71 HN LYS 71 6.983 1.343 3.856 564 HA LYS 71 HA LYS 71 9.728 2.042 4.864 565 1HB LYS 71 2HB LYS 71 7.863 3.575 3.019 566 2HB LYS 71 3HB LYS 71 9.325 4.204 3.769 567 1HG LYS 71 2HG LYS 71 10.439 2.015 2.659 568 2HG LYS 71 3HG LYS 71 9.011 2.129 1.622 569 1HD LYS 71 2HD LYS 71 10.623 3.475 0.489 570 2HD LYS 71 3HD LYS 71 9.618 4.631 1.352 571 1HE LYS 71 2HE LYS 71 11.392 4.799 3.118 572 2HE LYS 71 3HE LYS 71 12.316 3.530 2.304 573 1HZ LYS 71 1HZ LYS 71 11.659 6.146 1.119 574 2HZ LYS 71 2HZ LYS 71 13.123 5.712 1.747 575 3HZ LYS 71 3HZ LYS 71 12.532 4.969 0.401 576 H LYS 72 HN LYS 72 6.401 3.392 4.881 577 HA LYS 72 HA LYS 72 6.986 4.572 7.569 578 1HB LYS 72 2HB LYS 72 6.025 5.868 5.234 579 2HB LYS 72 3HB LYS 72 4.599 5.622 6.248 580 1HG LYS 72 2HG LYS 72 5.529 7.755 6.809 581 2HG LYS 72 3HG LYS 72 5.833 6.665 8.161 582 1HD LYS 72 2HD LYS 72 8.186 6.278 7.122 583 2HD LYS 72 3HD LYS 72 7.805 7.606 6.022 584 1HE LYS 72 2HE LYS 72 7.660 9.190 7.840 585 2HE LYS 72 3HE LYS 72 7.585 7.906 9.056 586 1HZ LYS 72 1HZ LYS 72 9.956 8.510 7.426 587 2HZ LYS 72 2HZ LYS 72 9.731 8.904 9.006 588 3HZ LYS 72 3HZ LYS 72 9.835 7.327 8.567 589 H ILE 73 HN ILE 73 4.617 4.932 8.673 590 HA ILE 73 HA ILE 73 3.105 2.508 8.622 591 HB ILE 73 HB ILE 73 3.754 2.609 11.359 592 1HG1 ILE 73 2HG1 ILE 73 6.382 2.627 9.860 593 2HG1 ILE 73 3HG1 ILE 73 5.736 4.021 10.755 594 1HG2 ILE 73 1HG2 ILE 73 4.838 0.710 9.257 595 2HG2 ILE 73 2HG2 ILE 73 4.632 0.378 10.993 596 3HG2 ILE 73 3HG2 ILE 73 3.213 0.670 9.981 597 1HD1 ILE 73 1HD1 ILE 73 6.456 1.319 11.960 598 2HD1 ILE 73 2HD1 ILE 73 7.312 2.855 12.165 599 3HD1 ILE 73 3HD1 ILE 73 5.682 2.663 12.835 600 H GLU 74 HN GLU 74 1.593 2.704 10.771 601 HA GLU 74 HA GLU 74 0.196 5.208 10.386 602 1HB GLU 74 2HB GLU 74 -1.492 4.280 11.730 603 2HB GLU 74 3HB GLU 74 -0.888 3.018 10.677 604 1HG GLU 74 2HG GLU 74 -1.095 1.935 12.731 605 2HG GLU 74 3HG GLU 74 0.631 2.327 12.718 606 H GLY 75 HN GLY 75 0.026 6.858 12.160 607 1HA GLY 75 1HA GLY 75 0.823 6.599 14.758 608 2HA GLY 75 2HA GLY 75 2.259 7.233 13.908 609 H ARG 76 HN ARG 76 1.187 9.008 15.726 610 HA ARG 76 HA ARG 76 0.636 11.201 14.085 611 1HB ARG 76 2HB ARG 76 -1.745 10.039 14.525 612 2HB ARG 76 3HB ARG 76 -1.533 10.719 16.149 613 1HG ARG 76 2HG ARG 76 -1.108 12.977 14.977 614 2HG ARG 76 3HG ARG 76 -1.542 12.160 13.468 615 1HD ARG 76 2HD ARG 76 -3.665 11.477 15.135 616 2HD ARG 76 3HD ARG 76 -3.217 13.090 15.738 617 HE ARG 76 HE ARG 76 -3.405 12.988 12.844 618 1HH1 ARG 76 1HH2 ARG 76 -5.356 13.193 15.759 619 2HH1 ARG 76 2HH2 ARG 76 -6.751 13.893 14.998 620 1HH2 ARG 76 1HH1 ARG 76 -5.250 13.850 11.755 621 2HH2 ARG 76 2HH1 ARG 76 -6.675 14.285 12.642 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -9.788 9.827 11.966 2 2H GLY 1 2H GLY 1 -11.059 10.866 11.615 3 3H GLY 1 3H GLY 1 -11.079 9.270 11.136 4 1HA GLY 1 1HA GLY 1 -10.461 10.383 9.209 5 2HA GLY 1 2HA GLY 1 -9.313 11.384 10.137 6 H GLU 2 HN GLU 2 -8.663 9.574 7.890 7 HA GLU 2 HA GLU 2 -7.618 7.126 8.998 8 1HB GLU 2 2HB GLU 2 -7.226 8.418 6.260 9 2HB GLU 2 3HB GLU 2 -7.017 6.697 6.682 10 1HG GLU 2 2HG GLU 2 -9.690 8.193 6.756 11 2HG GLU 2 3HG GLU 2 -9.105 7.089 5.525 12 H VAL 3 HN VAL 3 -5.327 6.471 8.184 13 HA VAL 3 HA VAL 3 -3.380 8.585 8.943 14 HB VAL 3 HB VAL 3 -3.107 5.621 9.550 15 1HG1 VAL 3 1HG1 VAL 3 -1.833 8.168 10.669 16 2HG1 VAL 3 2HG1 VAL 3 -1.545 6.516 11.230 17 3HG1 VAL 3 3HG1 VAL 3 -1.052 6.989 9.589 18 1HG2 VAL 3 1HG2 VAL 3 -3.754 6.161 11.899 19 2HG2 VAL 3 2HG2 VAL 3 -4.299 7.764 11.364 20 3HG2 VAL 3 3HG2 VAL 3 -5.115 6.291 10.787 21 H VAL 4 HN VAL 4 -1.600 8.745 7.625 22 HA VAL 4 HA VAL 4 -1.683 7.378 5.061 23 HB VAL 4 HB VAL 4 -1.035 9.899 5.812 24 1HG1 VAL 4 1HG1 VAL 4 1.085 9.095 6.846 25 2HG1 VAL 4 2HG1 VAL 4 1.574 8.477 5.244 26 3HG1 VAL 4 3HG1 VAL 4 1.344 10.224 5.494 27 1HG2 VAL 4 1HG2 VAL 4 -0.097 8.361 3.371 28 2HG2 VAL 4 2HG2 VAL 4 -1.664 9.177 3.594 29 3HG2 VAL 4 3HG2 VAL 4 -0.173 10.134 3.523 30 H LEU 5 HN LEU 5 -0.186 5.972 4.219 31 HA LEU 5 HA LEU 5 2.131 5.131 5.871 32 1HB LEU 5 2HB LEU 5 0.808 3.375 6.466 33 2HB LEU 5 3HB LEU 5 -0.237 3.501 5.062 34 HG LEU 5 HG LEU 5 0.967 1.419 5.107 35 1HD1 LEU 5 1HD1 LEU 5 0.974 1.272 2.892 36 2HD1 LEU 5 2HD1 LEU 5 0.530 2.961 2.934 37 3HD1 LEU 5 3HD1 LEU 5 2.226 2.509 2.698 38 1HD2 LEU 5 1HD2 LEU 5 3.488 1.474 4.494 39 2HD2 LEU 5 2HD2 LEU 5 3.439 3.033 5.328 40 3HD2 LEU 5 3HD2 LEU 5 2.911 1.577 6.167 41 H LYS 6 HN LYS 6 3.906 4.755 4.509 42 HA LYS 6 HA LYS 6 3.439 4.853 1.599 43 1HB LYS 6 2HB LYS 6 5.084 6.650 3.172 44 2HB LYS 6 3HB LYS 6 6.154 5.630 2.219 45 1HG LYS 6 2HG LYS 6 3.994 6.477 0.493 46 2HG LYS 6 3HG LYS 6 4.470 7.887 1.385 47 1HD LYS 6 2HD LYS 6 6.493 6.065 0.007 48 2HD LYS 6 3HD LYS 6 5.515 7.188 -0.917 49 1HE LYS 6 2HE LYS 6 7.118 8.710 -0.593 50 2HE LYS 6 3HE LYS 6 6.489 8.889 1.050 51 1HZ LYS 6 1HZ LYS 6 8.648 7.086 0.170 52 2HZ LYS 6 2HZ LYS 6 8.855 8.495 0.991 53 3HZ LYS 6 3HZ LYS 6 8.108 7.208 1.719 54 H MET 7 HN MET 7 4.221 3.267 0.450 55 HA MET 7 HA MET 7 5.679 1.054 1.824 56 1HB MET 7 2HB MET 7 4.296 -0.468 0.381 57 2HB MET 7 3HB MET 7 3.384 0.345 1.666 58 1HG MET 7 2HG MET 7 2.087 1.516 0.271 59 2HG MET 7 3HG MET 7 3.381 1.826 -0.865 60 1HE MET 7 1HE MET 7 1.239 -1.073 0.509 61 2HE MET 7 2HE MET 7 0.866 -1.960 -0.986 62 3HE MET 7 3HE MET 7 2.473 -2.125 -0.252 63 H LYS 8 HN LYS 8 6.954 -0.210 0.418 64 HA LYS 8 HA LYS 8 7.855 1.154 -2.065 65 1HB LYS 8 2HB LYS 8 9.216 -0.352 0.081 66 2HB LYS 8 3HB LYS 8 9.559 -1.041 -1.506 67 1HG LYS 8 2HG LYS 8 10.033 1.804 -0.617 68 2HG LYS 8 3HG LYS 8 11.266 0.549 -0.886 69 1HD LYS 8 2HD LYS 8 10.287 0.504 -3.324 70 2HD LYS 8 3HD LYS 8 9.568 2.053 -2.891 71 1HE LYS 8 2HE LYS 8 12.074 2.622 -2.131 72 2HE LYS 8 3HE LYS 8 12.441 1.390 -3.355 73 1HZ LYS 8 1HZ LYS 8 10.942 3.896 -3.610 74 2HZ LYS 8 2HZ LYS 8 12.312 3.484 -4.438 75 3HZ LYS 8 3HZ LYS 8 10.895 2.733 -4.803 76 H VAL 9 HN VAL 9 7.629 0.100 -4.011 77 HA VAL 9 HA VAL 9 6.352 -2.603 -3.945 78 HB VAL 9 HB VAL 9 5.523 -0.371 -5.836 79 1HG1 VAL 9 1HG1 VAL 9 4.280 -3.075 -5.107 80 2HG1 VAL 9 2HG1 VAL 9 3.679 -1.926 -6.320 81 3HG1 VAL 9 3HG1 VAL 9 5.224 -2.762 -6.571 82 1HG2 VAL 9 1HG2 VAL 9 4.182 -1.358 -3.285 83 2HG2 VAL 9 2HG2 VAL 9 4.787 0.287 -3.590 84 3HG2 VAL 9 3HG2 VAL 9 3.403 -0.328 -4.507 85 H GLU 10 HN GLU 10 8.732 -2.929 -4.026 86 HA GLU 10 HA GLU 10 10.134 -2.332 -6.490 87 1HB GLU 10 2HB GLU 10 10.707 -4.318 -4.267 88 2HB GLU 10 3HB GLU 10 11.833 -3.882 -5.563 89 1HG GLU 10 2HG GLU 10 10.678 -1.840 -3.596 90 2HG GLU 10 3HG GLU 10 12.226 -2.657 -3.427 91 H GLY 11 HN GLY 11 11.035 -4.220 -7.835 92 1HA GLY 11 1HA GLY 11 10.909 -6.343 -8.754 93 2HA GLY 11 2HA GLY 11 9.418 -6.677 -7.877 94 H MET 12 HN MET 12 7.822 -4.475 -8.818 95 HA MET 12 HA MET 12 6.805 -5.587 -11.220 96 1HB MET 12 2HB MET 12 6.442 -2.825 -9.997 97 2HB MET 12 3HB MET 12 5.535 -3.404 -11.407 98 1HG MET 12 2HG MET 12 4.598 -5.247 -10.143 99 2HG MET 12 3HG MET 12 5.600 -4.846 -8.736 100 1HE MET 12 1HE MET 12 3.669 -4.993 -7.181 101 2HE MET 12 2HE MET 12 2.211 -3.989 -7.252 102 3HE MET 12 3HE MET 12 2.438 -5.300 -8.439 103 H THR 13 HN THR 13 8.729 -2.644 -10.806 104 HA THR 13 HA THR 13 9.836 -1.305 -12.227 105 HB THR 13 HB THR 13 11.410 -3.068 -11.701 106 HG1 THR 13 1HG THR 13 11.573 -1.880 -14.256 107 1HG2 THR 13 1HG2 THR 13 10.591 -4.207 -14.398 108 2HG2 THR 13 2HG2 THR 13 12.064 -4.654 -13.508 109 3HG2 THR 13 3HG2 THR 13 10.474 -5.003 -12.816 110 H CYS 14 HN CYS 14 7.152 -2.086 -13.393 111 HA CYS 14 HA CYS 14 7.667 -1.030 -16.094 112 1HB CYS 14 2HB CYS 14 6.960 -3.850 -15.516 113 2HB CYS 14 3HB CYS 14 5.716 -3.043 -16.483 114 HG CYS 14 HG CYS 14 7.295 -4.322 -18.051 115 H HIS 15 HN HIS 15 6.105 0.368 -16.650 116 HA HIS 15 HA HIS 15 4.118 1.160 -14.682 117 1HB HIS 15 2HB HIS 15 3.608 2.910 -16.460 118 2HB HIS 15 3HB HIS 15 5.219 2.905 -15.759 119 HD1 HIS 15 1HD HIS 15 7.242 2.630 -17.373 120 HD2 HIS 15 2HD HIS 15 3.483 1.876 -19.120 121 HE1 HIS 15 1HE HIS 15 7.641 2.290 -19.872 122 H SER 16 HN SER 16 3.369 -1.289 -15.056 123 HA SER 16 HA SER 16 0.800 -1.105 -16.519 124 1HB SER 16 2HB SER 16 2.736 -1.988 -18.001 125 2HB SER 16 3HB SER 16 2.672 -3.442 -16.982 126 HG SER 16 HG SER 16 1.328 -3.601 -18.861 127 H CYS 17 HN CYS 17 1.915 -1.283 -13.694 128 HA CYS 17 HA CYS 17 -0.028 -3.222 -12.678 129 1HB CYS 17 2HB CYS 17 2.955 -3.645 -12.414 130 2HB CYS 17 3HB CYS 17 1.928 -3.932 -10.998 131 HG CYS 17 HG CYS 17 2.334 -6.178 -11.973 132 H THR 18 HN THR 18 -0.618 -0.796 -12.708 133 HA THR 18 HA THR 18 -0.130 0.189 -9.916 134 HB THR 18 HB THR 18 -0.653 2.457 -10.844 135 HG1 THR 18 1HG THR 18 -0.618 2.715 -13.097 136 1HG2 THR 18 1HG2 THR 18 1.696 1.180 -12.330 137 2HG2 THR 18 2HG2 THR 18 1.510 2.886 -11.871 138 3HG2 THR 18 3HG2 THR 18 1.725 1.647 -10.621 139 H SER 19 HN SER 19 -2.434 1.043 -12.436 140 HA SER 19 HA SER 19 -4.511 1.261 -10.717 141 1HB SER 19 2HB SER 19 -4.497 2.101 -13.081 142 2HB SER 19 3HB SER 19 -4.776 0.441 -13.658 143 HG SER 19 HG SER 19 -6.699 1.754 -13.483 144 H THR 20 HN THR 20 -3.882 -1.763 -12.398 145 HA THR 20 HA THR 20 -5.909 -3.300 -11.313 146 HB THR 20 HB THR 20 -2.924 -3.861 -11.736 147 HG1 THR 20 1HG THR 20 -3.781 -4.836 -13.631 148 1HG2 THR 20 1HG2 THR 20 -5.218 -5.725 -11.097 149 2HG2 THR 20 2HG2 THR 20 -3.654 -6.274 -11.775 150 3HG2 THR 20 3HG2 THR 20 -3.709 -5.495 -10.182 151 H ILE 21 HN ILE 21 -2.758 -2.559 -9.728 152 HA ILE 21 HA ILE 21 -3.418 -3.927 -7.298 153 HB ILE 21 HB ILE 21 -1.256 -2.045 -8.297 154 1HG1 ILE 21 2HG1 ILE 21 0.020 -4.093 -7.225 155 2HG1 ILE 21 3HG1 ILE 21 -1.496 -4.945 -7.435 156 1HG2 ILE 21 1HG2 ILE 21 -1.428 -2.868 -5.407 157 2HG2 ILE 21 2HG2 ILE 21 -0.107 -2.014 -6.256 158 3HG2 ILE 21 3HG2 ILE 21 -1.658 -1.214 -6.051 159 1HD1 ILE 21 1HD1 ILE 21 0.141 -3.502 -9.543 160 2HD1 ILE 21 2HD1 ILE 21 0.015 -5.260 -9.355 161 3HD1 ILE 21 3HD1 ILE 21 -1.393 -4.328 -9.892 162 H GLU 22 HN GLU 22 -3.637 -0.490 -8.379 163 HA GLU 22 HA GLU 22 -4.311 0.530 -5.863 164 1HB GLU 22 2HB GLU 22 -4.964 1.519 -8.657 165 2HB GLU 22 3HB GLU 22 -5.246 2.470 -7.210 166 1HG GLU 22 2HG GLU 22 -2.903 2.372 -6.601 167 2HG GLU 22 3HG GLU 22 -2.506 1.295 -7.930 168 H GLY 23 HN GLY 23 -6.478 -0.027 -8.533 169 1HA GLY 23 1HA GLY 23 -9.012 0.074 -7.395 170 2HA GLY 23 2HA GLY 23 -8.575 -0.987 -8.745 171 H LYS 24 HN LYS 24 -6.999 -2.954 -7.710 172 HA LYS 24 HA LYS 24 -8.852 -4.652 -6.409 173 1HB LYS 24 2HB LYS 24 -6.851 -5.413 -7.737 174 2HB LYS 24 3HB LYS 24 -5.808 -4.839 -6.434 175 1HG LYS 24 2HG LYS 24 -5.951 -7.088 -5.941 176 2HG LYS 24 3HG LYS 24 -7.225 -6.452 -4.906 177 1HD LYS 24 2HD LYS 24 -8.649 -6.935 -7.224 178 2HD LYS 24 3HD LYS 24 -7.352 -8.131 -7.381 179 1HE LYS 24 2HE LYS 24 -7.960 -8.805 -4.917 180 2HE LYS 24 3HE LYS 24 -9.411 -7.815 -5.146 181 1HZ LYS 24 1HZ LYS 24 -8.632 -10.202 -6.690 182 2HZ LYS 24 2HZ LYS 24 -9.882 -10.075 -5.635 183 3HZ LYS 24 3HZ LYS 24 -9.928 -9.257 -7.062 184 H ILE 25 HN ILE 25 -5.964 -2.969 -5.070 185 HA ILE 25 HA ILE 25 -6.335 -3.854 -2.428 186 HB ILE 25 HB ILE 25 -4.742 -1.662 -3.741 187 1HG1 ILE 25 2HG1 ILE 25 -4.019 -3.942 -4.291 188 2HG1 ILE 25 3HG1 ILE 25 -2.818 -2.997 -3.404 189 1HG2 ILE 25 1HG2 ILE 25 -3.425 -1.485 -1.664 190 2HG2 ILE 25 2HG2 ILE 25 -5.018 -0.699 -1.716 191 3HG2 ILE 25 3HG2 ILE 25 -4.821 -2.239 -0.852 192 1HD1 ILE 25 1HD1 ILE 25 -4.645 -5.150 -2.303 193 2HD1 ILE 25 2HD1 ILE 25 -2.891 -5.230 -2.517 194 3HD1 ILE 25 3HD1 ILE 25 -3.589 -4.110 -1.319 195 H GLY 26 HN GLY 26 -7.667 -1.137 -4.206 196 1HA GLY 26 1HA GLY 26 -8.826 0.427 -2.251 197 2HA GLY 26 2HA GLY 26 -9.563 0.024 -3.806 198 H LYS 27 HN LYS 27 -9.672 -3.033 -2.871 199 HA LYS 27 HA LYS 27 -12.276 -2.703 -1.515 200 1HB LYS 27 2HB LYS 27 -10.888 -4.850 -3.113 201 2HB LYS 27 3HB LYS 27 -12.118 -5.285 -1.946 202 1HG LYS 27 2HG LYS 27 -13.716 -3.734 -2.994 203 2HG LYS 27 3HG LYS 27 -12.504 -3.295 -4.216 204 1HD LYS 27 2HD LYS 27 -12.436 -5.537 -5.095 205 2HD LYS 27 3HD LYS 27 -13.408 -6.188 -3.773 206 1HE LYS 27 2HE LYS 27 -14.412 -4.154 -5.831 207 2HE LYS 27 3HE LYS 27 -14.654 -5.902 -5.950 208 1HZ LYS 27 1HZ LYS 27 -15.684 -4.200 -3.777 209 2HZ LYS 27 2HZ LYS 27 -16.560 -4.839 -5.009 210 3HZ LYS 27 3HZ LYS 27 -15.882 -5.829 -3.889 211 H LEU 28 HN LEU 28 -8.938 -3.179 -0.599 212 HA LEU 28 HA LEU 28 -9.369 -5.249 1.212 213 1HB LEU 28 2HB LEU 28 -7.281 -3.061 1.105 214 2HB LEU 28 3HB LEU 28 -7.225 -4.448 2.182 215 HG LEU 28 HG LEU 28 -6.054 -4.305 -0.319 216 1HD1 LEU 28 1HD1 LEU 28 -5.358 -5.622 1.625 217 2HD1 LEU 28 2HD1 LEU 28 -6.778 -6.673 1.404 218 3HD1 LEU 28 3HD1 LEU 28 -5.478 -6.644 0.178 219 1HD2 LEU 28 1HD2 LEU 28 -8.350 -6.296 -0.384 220 2HD2 LEU 28 2HD2 LEU 28 -8.168 -4.912 -1.492 221 3HD2 LEU 28 3HD2 LEU 28 -7.008 -6.236 -1.541 222 H GLN 29 HN GLN 29 -9.728 -5.309 3.363 223 HA GLN 29 HA GLN 29 -11.469 -3.337 4.375 224 1HB GLN 29 2HB GLN 29 -11.070 -5.924 5.022 225 2HB GLN 29 3HB GLN 29 -10.068 -5.204 6.286 226 1HG GLN 29 2HG GLN 29 -12.187 -5.304 7.308 227 2HG GLN 29 3HG GLN 29 -12.136 -3.643 6.693 228 1HE2 GLN 29 2HE2 GLN 29 -13.208 -6.954 5.735 229 2HE2 GLN 29 1HE2 GLN 29 -14.609 -6.383 4.842 230 H GLY 30 HN GLY 30 -10.891 -1.318 4.982 231 1HA GLY 30 1HA GLY 30 -9.975 -0.025 6.821 232 2HA GLY 30 2HA GLY 30 -8.456 -0.933 6.703 233 H VAL 31 HN VAL 31 -8.987 -0.670 3.513 234 HA VAL 31 HA VAL 31 -7.280 1.688 3.447 235 HB VAL 31 HB VAL 31 -8.155 -0.515 1.591 236 1HG1 VAL 31 1HG1 VAL 31 -7.132 0.601 -0.368 237 2HG1 VAL 31 2HG1 VAL 31 -8.656 1.329 0.147 238 3HG1 VAL 31 3HG1 VAL 31 -7.107 2.134 0.531 239 1HG2 VAL 31 1HG2 VAL 31 -5.696 -0.527 1.143 240 2HG2 VAL 31 2HG2 VAL 31 -5.518 0.873 2.216 241 3HG2 VAL 31 3HG2 VAL 31 -6.064 -0.680 2.879 242 H GLN 32 HN GLN 32 -7.763 3.646 2.743 243 HA GLN 32 HA GLN 32 -10.581 4.261 1.956 244 1HB GLN 32 2HB GLN 32 -8.870 5.247 4.021 245 2HB GLN 32 3HB GLN 32 -9.348 6.581 2.961 246 1HG GLN 32 2HG GLN 32 -11.451 4.608 3.941 247 2HG GLN 32 3HG GLN 32 -10.824 5.793 5.048 248 1HE2 GLN 32 2HE2 GLN 32 -12.755 5.418 2.104 249 2HE2 GLN 32 1HE2 GLN 32 -13.313 7.084 2.092 250 H ARG 33 HN ARG 33 -7.104 5.056 1.324 251 HA ARG 33 HA ARG 33 -7.900 5.385 -1.468 252 1HB ARG 33 2HB ARG 33 -7.843 7.721 -0.038 253 2HB ARG 33 3HB ARG 33 -6.123 7.566 -0.389 254 1HG ARG 33 2HG ARG 33 -7.031 8.909 -2.106 255 2HG ARG 33 3HG ARG 33 -6.778 7.332 -2.868 256 1HD ARG 33 2HD ARG 33 -9.228 6.828 -2.450 257 2HD ARG 33 3HD ARG 33 -9.391 8.443 -1.735 258 HE ARG 33 HE ARG 33 -8.270 8.677 -4.352 259 1HH1 ARG 33 1HH2 ARG 33 -11.283 7.754 -2.787 260 2HH1 ARG 33 2HH2 ARG 33 -12.319 8.266 -4.082 261 1HH2 ARG 33 1HH1 ARG 33 -9.604 9.382 -6.117 262 2HH2 ARG 33 2HH1 ARG 33 -11.324 9.213 -6.031 263 H ILE 34 HN ILE 34 -6.094 5.334 -2.932 264 HA ILE 34 HA ILE 34 -3.502 4.534 -1.838 265 HB ILE 34 HB ILE 34 -4.691 2.444 -2.214 266 1HG1 ILE 34 2HG1 ILE 34 -2.789 2.737 -4.527 267 2HG1 ILE 34 3HG1 ILE 34 -2.185 2.920 -2.901 268 1HG2 ILE 34 1HG2 ILE 34 -6.349 3.189 -3.948 269 2HG2 ILE 34 2HG2 ILE 34 -5.044 3.292 -5.139 270 3HG2 ILE 34 3HG2 ILE 34 -5.500 1.741 -4.454 271 1HD1 ILE 34 1HD1 ILE 34 -3.667 0.433 -3.850 272 2HD1 ILE 34 2HD1 ILE 34 -1.906 0.597 -3.730 273 3HD1 ILE 34 3HD1 ILE 34 -2.922 0.673 -2.282 274 H LYS 35 HN LYS 35 -1.808 5.216 -3.119 275 HA LYS 35 HA LYS 35 -2.303 6.159 -5.890 276 1HB LYS 35 2HB LYS 35 -0.802 7.682 -3.693 277 2HB LYS 35 3HB LYS 35 -0.560 7.931 -5.414 278 1HG LYS 35 2HG LYS 35 -1.977 9.582 -5.143 279 2HG LYS 35 3HG LYS 35 -3.196 8.340 -5.437 280 1HD LYS 35 2HD LYS 35 -3.819 8.271 -3.143 281 2HD LYS 35 3HD LYS 35 -2.287 8.988 -2.599 282 1HE LYS 35 2HE LYS 35 -2.851 11.148 -3.636 283 2HE LYS 35 3HE LYS 35 -4.371 10.488 -4.260 284 1HZ LYS 35 1HZ LYS 35 -3.678 10.783 -1.405 285 2HZ LYS 35 2HZ LYS 35 -4.647 11.791 -2.263 286 3HZ LYS 35 3HZ LYS 35 -5.115 10.240 -1.997 287 H VAL 36 HN VAL 36 -1.052 4.659 -7.011 288 HA VAL 36 HA VAL 36 1.554 3.822 -5.797 289 HB VAL 36 HB VAL 36 -0.136 2.591 -7.990 290 1HG1 VAL 36 1HG1 VAL 36 2.545 1.690 -6.847 291 2HG1 VAL 36 2HG1 VAL 36 1.501 0.744 -7.942 292 3HG1 VAL 36 3HG1 VAL 36 2.259 2.244 -8.506 293 1HG2 VAL 36 1HG2 VAL 36 -0.356 0.745 -6.380 294 2HG2 VAL 36 2HG2 VAL 36 0.698 1.585 -5.225 295 3HG2 VAL 36 3HG2 VAL 36 -0.892 2.244 -5.604 296 H SER 37 HN SER 37 3.464 4.514 -6.614 297 HA SER 37 HA SER 37 3.471 5.988 -9.222 298 1HB SER 37 2HB SER 37 3.800 7.446 -7.263 299 2HB SER 37 3HB SER 37 5.144 6.420 -6.743 300 HG SER 37 HG SER 37 4.978 8.064 -9.042 301 H LEU 38 HN LEU 38 3.841 3.946 -10.339 302 HA LEU 38 HA LEU 38 5.912 2.178 -9.683 303 1HB LEU 38 2HB LEU 38 3.983 2.413 -11.732 304 2HB LEU 38 3HB LEU 38 5.498 2.532 -12.603 305 HG LEU 38 HG LEU 38 4.553 0.314 -12.427 306 1HD1 LEU 38 1HD1 LEU 38 6.635 -0.896 -11.805 307 2HD1 LEU 38 2HD1 LEU 38 6.996 0.560 -12.760 308 3HD1 LEU 38 3HD1 LEU 38 7.251 0.554 -11.002 309 1HD2 LEU 38 1HD2 LEU 38 5.299 0.080 -9.506 310 2HD2 LEU 38 2HD2 LEU 38 3.667 0.532 -10.046 311 3HD2 LEU 38 3HD2 LEU 38 4.374 -1.014 -10.537 312 H ASP 39 HN ASP 39 6.000 5.238 -11.585 313 HA ASP 39 HA ASP 39 8.590 5.448 -12.391 314 1HB ASP 39 2HB ASP 39 7.137 7.559 -10.726 315 2HB ASP 39 3HB ASP 39 8.388 7.815 -11.920 316 H ASN 40 HN ASN 40 7.362 6.261 -9.113 317 HA ASN 40 HA ASN 40 10.014 6.745 -8.226 318 1HB ASN 40 2HB ASN 40 7.875 7.930 -7.529 319 2HB ASN 40 3HB ASN 40 7.612 6.589 -6.403 320 1HD2 ASN 40 2HD2 ASN 40 7.914 9.353 -5.669 321 2HD2 ASN 40 1HD2 ASN 40 9.425 9.511 -4.787 322 H GLN 41 HN GLN 41 8.124 3.958 -8.570 323 HA GLN 41 HA GLN 41 8.223 1.809 -7.999 324 1HB GLN 41 2HB GLN 41 10.940 2.239 -6.688 325 2HB GLN 41 3HB GLN 41 10.292 0.790 -7.470 326 1HG GLN 41 2HG GLN 41 10.125 2.146 -9.583 327 2HG GLN 41 3HG GLN 41 10.988 3.439 -8.757 328 1HE2 GLN 41 2HE2 GLN 41 11.539 0.976 -10.894 329 2HE2 GLN 41 1HE2 GLN 41 13.229 0.682 -10.516 330 H GLU 42 HN GLU 42 7.155 3.853 -6.423 331 HA GLU 42 HA GLU 42 7.005 2.664 -3.700 332 1HB GLU 42 2HB GLU 42 8.813 4.627 -4.167 333 2HB GLU 42 3HB GLU 42 7.422 5.657 -3.884 334 1HG GLU 42 2HG GLU 42 7.216 4.918 -1.646 335 2HG GLU 42 3HG GLU 42 8.114 3.443 -1.915 336 H ALA 43 HN ALA 43 5.184 3.514 -2.412 337 HA ALA 43 HA ALA 43 2.958 4.674 -4.032 338 1HB ALA 43 1HB ALA 43 2.830 2.402 -4.626 339 2HB ALA 43 2HB ALA 43 3.150 1.866 -2.999 340 3HB ALA 43 3HB ALA 43 1.592 2.653 -3.363 341 H THR 44 HN THR 44 1.107 5.255 -2.635 342 HA THR 44 HA THR 44 1.767 5.622 0.230 343 HB THR 44 HB THR 44 0.693 7.558 -1.871 344 HG1 THR 44 1HG THR 44 2.530 8.724 -1.329 345 1HG2 THR 44 1HG2 THR 44 0.928 7.837 1.145 346 2HG2 THR 44 2HG2 THR 44 0.597 9.186 0.026 347 3HG2 THR 44 3HG2 THR 44 -0.564 7.855 0.173 348 H ILE 45 HN ILE 45 0.144 4.644 1.391 349 HA ILE 45 HA ILE 45 -2.545 4.487 0.131 350 HB ILE 45 HB ILE 45 -1.289 2.464 1.971 351 1HG1 ILE 45 2HG1 ILE 45 -2.207 2.160 -0.880 352 2HG1 ILE 45 3HG1 ILE 45 -0.537 2.633 -0.572 353 1HG2 ILE 45 1HG2 ILE 45 -3.307 1.147 1.542 354 2HG2 ILE 45 2HG2 ILE 45 -3.752 2.654 2.314 355 3HG2 ILE 45 3HG2 ILE 45 -3.998 2.453 0.572 356 1HD1 ILE 45 1HD1 ILE 45 -1.791 0.082 0.396 357 2HD1 ILE 45 2HD1 ILE 45 -0.573 0.303 -0.867 358 3HD1 ILE 45 3HD1 ILE 45 -0.180 0.730 0.828 359 H VAL 46 HN VAL 46 -4.314 4.729 1.724 360 HA VAL 46 HA VAL 46 -3.520 5.897 4.309 361 HB VAL 46 HB VAL 46 -4.108 7.645 2.583 362 1HG1 VAL 46 1HG1 VAL 46 -5.952 6.525 1.723 363 2HG1 VAL 46 2HG1 VAL 46 -6.855 6.663 3.265 364 3HG1 VAL 46 3HG1 VAL 46 -6.450 8.126 2.321 365 1HG2 VAL 46 1HG2 VAL 46 -5.438 8.912 4.362 366 2HG2 VAL 46 2HG2 VAL 46 -5.382 7.412 5.318 367 3HG2 VAL 46 3HG2 VAL 46 -3.880 8.258 4.899 368 H TYR 47 HN TYR 47 -4.436 4.908 5.955 369 HA TYR 47 HA TYR 47 -6.959 3.505 5.802 370 1HB TYR 47 2HB TYR 47 -5.998 1.263 6.373 371 2HB TYR 47 3HB TYR 47 -5.501 1.795 4.781 372 HD1 TYR 47 1HD TYR 47 -4.284 1.618 8.368 373 HD2 TYR 47 2HD TYR 47 -3.283 1.553 4.181 374 HE1 TYR 47 1HE TYR 47 -1.961 1.122 8.942 375 HE2 TYR 47 2HE TYR 47 -1.045 0.756 4.741 376 HH TYR 47 HH TYR 47 0.126 0.582 8.133 377 H GLN 48 HN GLN 48 -7.174 2.194 8.069 378 HA GLN 48 HA GLN 48 -5.668 3.628 10.142 379 1HB GLN 48 2HB GLN 48 -7.839 3.236 11.467 380 2HB GLN 48 3HB GLN 48 -7.769 4.632 10.362 381 1HG GLN 48 2HG GLN 48 -8.969 3.383 8.693 382 2HG GLN 48 3HG GLN 48 -8.824 1.896 9.633 383 1HE2 GLN 48 2HE2 GLN 48 -10.496 5.099 9.473 384 2HE2 GLN 48 1HE2 GLN 48 -11.766 4.621 10.591 385 HA PRO 49 HA PRO 49 -4.722 -0.427 11.737 386 1HB PRO 49 2HB PRO 49 -3.781 0.188 14.206 387 2HB PRO 49 3HB PRO 49 -2.926 0.659 12.719 388 1HG PRO 49 2HG PRO 49 -4.856 2.361 14.337 389 2HG PRO 49 3HG PRO 49 -3.203 2.796 13.838 390 1HD PRO 49 2HD PRO 49 -5.361 3.571 12.402 391 2HD PRO 49 3HD PRO 49 -3.859 3.056 11.575 392 H HIS 50 HN HIS 50 -7.095 -0.669 11.526 393 HA HIS 50 HA HIS 50 -8.229 -1.591 14.104 394 1HB HIS 50 2HB HIS 50 -9.270 0.730 12.534 395 2HB HIS 50 3HB HIS 50 -10.472 -0.522 12.829 396 HD1 HIS 50 1HD HIS 50 -7.788 0.803 15.288 397 HD2 HIS 50 2HD HIS 50 -11.926 0.207 14.808 398 HE1 HIS 50 1HE HIS 50 -8.893 1.456 17.512 399 H LEU 51 HN LEU 51 -8.930 -1.079 10.644 400 HA LEU 51 HA LEU 51 -10.189 -3.718 10.436 401 1HB LEU 51 2HB LEU 51 -9.713 -1.429 8.556 402 2HB LEU 51 3HB LEU 51 -10.541 -2.913 8.063 403 HG LEU 51 HG LEU 51 -11.471 -1.316 10.469 404 1HD1 LEU 51 1HD1 LEU 51 -11.399 0.320 8.682 405 2HD1 LEU 51 2HD1 LEU 51 -12.259 -0.786 7.582 406 3HD1 LEU 51 3HD1 LEU 51 -13.079 -0.119 9.010 407 1HD2 LEU 51 1HD2 LEU 51 -13.607 -2.313 10.111 408 2HD2 LEU 51 2HD2 LEU 51 -13.138 -2.965 8.540 409 3HD2 LEU 51 3HD2 LEU 51 -12.429 -3.631 10.025 410 H ILE 52 HN ILE 52 -6.987 -2.286 9.931 411 HA ILE 52 HA ILE 52 -6.055 -4.794 8.735 412 HB ILE 52 HB ILE 52 -6.285 -2.852 7.155 413 1HG1 ILE 52 2HG1 ILE 52 -4.067 -3.163 6.181 414 2HG1 ILE 52 3HG1 ILE 52 -3.460 -3.983 7.603 415 1HG2 ILE 52 1HG2 ILE 52 -3.856 -1.761 8.563 416 2HG2 ILE 52 2HG2 ILE 52 -4.847 -1.014 7.287 417 3HG2 ILE 52 3HG2 ILE 52 -5.501 -1.223 8.925 418 1HD1 ILE 52 1HD1 ILE 52 -5.933 -4.916 6.105 419 2HD1 ILE 52 2HD1 ILE 52 -4.296 -5.427 5.622 420 3HD1 ILE 52 3HD1 ILE 52 -4.923 -5.861 7.226 421 H SER 53 HN SER 53 -3.971 -5.469 9.322 422 HA SER 53 HA SER 53 -3.206 -4.644 11.994 423 1HB SER 53 2HB SER 53 -2.180 -6.769 10.231 424 2HB SER 53 3HB SER 53 -1.815 -6.609 11.955 425 HG SER 53 HG SER 53 -3.547 -8.076 11.693 426 H VAL 54 HN VAL 54 -2.698 -2.902 9.748 427 HA VAL 54 HA VAL 54 -1.260 -1.303 9.120 428 HB VAL 54 HB VAL 54 -0.292 -2.102 11.709 429 1HG1 VAL 54 1HG1 VAL 54 2.023 -1.221 11.572 430 2HG1 VAL 54 2HG1 VAL 54 1.840 -2.801 10.822 431 3HG1 VAL 54 3HG1 VAL 54 1.942 -1.338 9.801 432 1HG2 VAL 54 1HG2 VAL 54 0.167 0.187 11.964 433 2HG2 VAL 54 2HG2 VAL 54 0.145 0.489 10.215 434 3HG2 VAL 54 3HG2 VAL 54 -1.354 0.029 11.066 435 H GLU 55 HN GLU 55 0.600 -4.236 9.714 436 HA GLU 55 HA GLU 55 2.241 -3.815 7.358 437 1HB GLU 55 2HB GLU 55 2.581 -5.080 9.824 438 2HB GLU 55 3HB GLU 55 2.425 -6.412 8.685 439 1HG GLU 55 2HG GLU 55 4.198 -5.301 7.240 440 2HG GLU 55 3HG GLU 55 4.308 -3.994 8.435 441 H GLU 56 HN GLU 56 -0.538 -5.890 8.324 442 HA GLU 56 HA GLU 56 -0.435 -7.810 6.354 443 1HB GLU 56 2HB GLU 56 -2.697 -6.356 7.737 444 2HB GLU 56 3HB GLU 56 -3.056 -7.473 6.416 445 1HG GLU 56 2HG GLU 56 -1.397 -8.237 8.828 446 2HG GLU 56 3HG GLU 56 -3.130 -8.590 8.648 447 H MET 57 HN MET 57 -1.806 -4.538 6.042 448 HA MET 57 HA MET 57 -2.689 -4.411 3.542 449 1HB MET 57 2HB MET 57 -1.764 -2.606 5.518 450 2HB MET 57 3HB MET 57 -0.895 -2.144 4.057 451 1HG MET 57 2HG MET 57 -3.937 -2.466 4.235 452 2HG MET 57 3HG MET 57 -3.020 -1.020 4.428 453 1HE MET 57 1HE MET 57 -5.008 -2.753 1.189 454 2HE MET 57 2HE MET 57 -3.549 -3.762 0.998 455 3HE MET 57 3HE MET 57 -4.445 -3.700 2.536 456 H LYS 58 HN LYS 58 0.834 -4.428 4.330 457 HA LYS 58 HA LYS 58 1.657 -4.023 1.549 458 1HB LYS 58 2HB LYS 58 2.856 -4.077 4.308 459 2HB LYS 58 3HB LYS 58 3.739 -5.012 3.166 460 1HG LYS 58 2HG LYS 58 4.784 -3.148 2.576 461 2HG LYS 58 3HG LYS 58 3.340 -2.643 1.725 462 1HD LYS 58 2HD LYS 58 4.085 -2.049 4.607 463 2HD LYS 58 3HD LYS 58 4.153 -0.920 3.264 464 1HE LYS 58 2HE LYS 58 2.124 -0.247 3.897 465 2HE LYS 58 3HE LYS 58 1.466 -1.734 3.230 466 1HZ LYS 58 1HZ LYS 58 2.372 -1.305 6.027 467 2HZ LYS 58 2HZ LYS 58 0.810 -1.338 5.598 468 3HZ LYS 58 3HZ LYS 58 1.698 -2.685 5.465 469 H LYS 59 HN LYS 59 1.460 -6.582 4.031 470 HA LYS 59 HA LYS 59 2.796 -8.567 2.505 471 1HB LYS 59 2HB LYS 59 0.944 -8.572 4.869 472 2HB LYS 59 3HB LYS 59 1.328 -10.097 4.078 473 1HG LYS 59 2HG LYS 59 2.841 -9.550 5.969 474 2HG LYS 59 3HG LYS 59 3.619 -9.884 4.412 475 1HD LYS 59 2HD LYS 59 4.020 -7.379 4.097 476 2HD LYS 59 3HD LYS 59 3.213 -7.100 5.641 477 1HE LYS 59 2HE LYS 59 5.657 -7.065 5.836 478 2HE LYS 59 3HE LYS 59 4.951 -8.353 6.828 479 1HZ LYS 59 1HZ LYS 59 5.976 -8.827 4.108 480 2HZ LYS 59 2HZ LYS 59 6.938 -8.952 5.446 481 3HZ LYS 59 3HZ LYS 59 5.632 -9.937 5.237 482 H GLN 60 HN GLN 60 -0.542 -7.405 2.295 483 HA GLN 60 HA GLN 60 -1.595 -9.566 0.749 484 1HB GLN 60 2HB GLN 60 -2.279 -6.622 0.649 485 2HB GLN 60 3HB GLN 60 -3.277 -7.952 0.097 486 1HG GLN 60 2HG GLN 60 -2.459 -8.394 2.864 487 2HG GLN 60 3HG GLN 60 -3.103 -6.756 2.683 488 1HE2 GLN 60 2HE2 GLN 60 -4.753 -7.555 4.233 489 2HE2 GLN 60 1HE2 GLN 60 -6.112 -8.460 3.595 490 H ILE 61 HN ILE 61 0.172 -6.627 0.019 491 HA ILE 61 HA ILE 61 0.158 -6.950 -2.884 492 HB ILE 61 HB ILE 61 1.745 -5.165 -1.079 493 1HG1 ILE 61 2HG1 ILE 61 0.515 -3.532 -2.747 494 2HG1 ILE 61 3HG1 ILE 61 -0.549 -4.876 -3.099 495 1HG2 ILE 61 1HG2 ILE 61 1.837 -5.271 -4.118 496 2HG2 ILE 61 2HG2 ILE 61 2.660 -4.113 -3.045 497 3HG2 ILE 61 3HG2 ILE 61 3.165 -5.810 -3.068 498 1HD1 ILE 61 1HD1 ILE 61 0.070 -3.871 -0.313 499 2HD1 ILE 61 2HD1 ILE 61 -1.292 -3.257 -1.276 500 3HD1 ILE 61 3HD1 ILE 61 -1.255 -4.964 -0.775 501 H GLU 62 HN GLU 62 2.450 -7.885 -0.267 502 HA GLU 62 HA GLU 62 4.482 -8.961 -1.978 503 1HB GLU 62 2HB GLU 62 3.584 -9.805 0.807 504 2HB GLU 62 3HB GLU 62 4.991 -10.466 -0.003 505 1HG GLU 62 2HG GLU 62 6.154 -8.405 -0.003 506 2HG GLU 62 3HG GLU 62 4.702 -7.471 0.420 507 H ALA 63 HN ALA 63 1.559 -10.387 -0.558 508 HA ALA 63 HA ALA 63 1.682 -12.954 -1.593 509 1HB ALA 63 1HB ALA 63 -0.563 -13.149 -0.949 510 2HB ALA 63 2HB ALA 63 0.055 -11.852 0.098 511 3HB ALA 63 3HB ALA 63 -0.930 -11.461 -1.320 512 H MET 64 HN MET 64 0.919 -9.986 -3.420 513 HA MET 64 HA MET 64 -0.504 -11.288 -5.565 514 1HB MET 64 2HB MET 64 1.178 -8.749 -5.641 515 2HB MET 64 3HB MET 64 0.014 -9.272 -6.852 516 1HG MET 64 2HG MET 64 -0.710 -8.673 -3.982 517 2HG MET 64 3HG MET 64 -0.831 -7.498 -5.285 518 1HE MET 64 1HE MET 64 -3.050 -8.607 -3.078 519 2HE MET 64 2HE MET 64 -3.249 -7.178 -4.123 520 3HE MET 64 3HE MET 64 -4.494 -8.452 -4.101 521 H GLY 65 HN GLY 65 2.885 -11.039 -4.638 522 1HA GLY 65 1HA GLY 65 4.180 -12.937 -5.696 523 2HA GLY 65 2HA GLY 65 3.766 -12.218 -7.259 524 H PHE 66 HN PHE 66 3.940 -9.444 -6.229 525 HA PHE 66 HA PHE 66 6.754 -9.135 -6.883 526 1HB PHE 66 2HB PHE 66 4.570 -7.116 -6.329 527 2HB PHE 66 3HB PHE 66 6.210 -6.710 -6.818 528 HD1 PHE 66 1HD PHE 66 2.941 -7.785 -8.028 529 HD2 PHE 66 2HD PHE 66 7.145 -7.744 -8.989 530 HE1 PHE 66 1HE PHE 66 2.408 -8.227 -10.405 531 HE2 PHE 66 2HE PHE 66 6.613 -8.222 -11.347 532 HZ PHE 66 HZ PHE 66 4.241 -8.421 -12.082 533 HA PRO 67 HA PRO 67 7.613 -9.025 -2.415 534 1HB PRO 67 2HB PRO 67 10.318 -8.617 -2.467 535 2HB PRO 67 3HB PRO 67 9.549 -10.183 -2.858 536 1HG PRO 67 2HG PRO 67 10.489 -8.060 -4.797 537 2HG PRO 67 3HG PRO 67 10.806 -9.819 -4.856 538 1HD PRO 67 2HD PRO 67 8.825 -8.640 -6.298 539 2HD PRO 67 3HD PRO 67 8.601 -10.273 -5.598 540 H ALA 68 HN ALA 68 6.759 -7.218 -1.490 541 HA ALA 68 HA ALA 68 7.548 -4.508 -2.404 542 1HB ALA 68 1HB ALA 68 5.183 -5.159 -2.502 543 2HB ALA 68 2HB ALA 68 5.187 -5.534 -0.765 544 3HB ALA 68 3HB ALA 68 5.406 -3.868 -1.320 545 H PHE 69 HN PHE 69 6.936 -3.116 -0.076 546 HA PHE 69 HA PHE 69 8.094 -4.355 2.198 547 1HB PHE 69 2HB PHE 69 10.146 -3.789 0.615 548 2HB PHE 69 3HB PHE 69 9.874 -2.139 1.116 549 HD1 PHE 69 1HD PHE 69 10.628 -1.390 3.316 550 HD2 PHE 69 2HD PHE 69 10.675 -5.575 2.265 551 HE1 PHE 69 1HE PHE 69 11.883 -1.893 5.383 552 HE2 PHE 69 2HE PHE 69 12.036 -6.058 4.284 553 HZ PHE 69 HZ PHE 69 12.642 -4.220 5.848 554 H VAL 70 HN VAL 70 8.397 -2.838 4.040 555 HA VAL 70 HA VAL 70 6.321 -0.736 3.996 556 HB VAL 70 HB VAL 70 5.970 -2.643 5.443 557 1HG1 VAL 70 1HG1 VAL 70 8.162 -1.450 7.098 558 2HG1 VAL 70 2HG1 VAL 70 7.195 -2.907 7.445 559 3HG1 VAL 70 3HG1 VAL 70 8.336 -2.893 6.070 560 1HG2 VAL 70 1HG2 VAL 70 6.287 -0.021 6.963 561 2HG2 VAL 70 2HG2 VAL 70 4.954 -0.319 5.839 562 3HG2 VAL 70 3HG2 VAL 70 5.132 -1.326 7.287 563 H LYS 71 HN LYS 71 6.983 1.343 3.856 564 HA LYS 71 HA LYS 71 9.728 2.042 4.864 565 1HB LYS 71 2HB LYS 71 7.863 3.575 3.019 566 2HB LYS 71 3HB LYS 71 9.325 4.204 3.769 567 1HG LYS 71 2HG LYS 71 10.439 2.015 2.659 568 2HG LYS 71 3HG LYS 71 9.011 2.129 1.622 569 1HD LYS 71 2HD LYS 71 10.623 3.475 0.489 570 2HD LYS 71 3HD LYS 71 9.618 4.631 1.352 571 1HE LYS 71 2HE LYS 71 11.392 4.799 3.118 572 2HE LYS 71 3HE LYS 71 12.316 3.530 2.304 573 1HZ LYS 71 1HZ LYS 71 11.659 6.146 1.119 574 2HZ LYS 71 2HZ LYS 71 13.123 5.712 1.747 575 3HZ LYS 71 3HZ LYS 71 12.532 4.969 0.401 576 H LYS 72 HN LYS 72 6.401 3.392 4.881 577 HA LYS 72 HA LYS 72 6.986 4.572 7.569 578 1HB LYS 72 2HB LYS 72 6.025 5.868 5.234 579 2HB LYS 72 3HB LYS 72 4.599 5.622 6.248 580 1HG LYS 72 2HG LYS 72 5.529 7.755 6.809 581 2HG LYS 72 3HG LYS 72 5.833 6.665 8.161 582 1HD LYS 72 2HD LYS 72 8.186 6.278 7.122 583 2HD LYS 72 3HD LYS 72 7.805 7.606 6.022 584 1HE LYS 72 2HE LYS 72 7.660 9.190 7.840 585 2HE LYS 72 3HE LYS 72 7.585 7.906 9.056 586 1HZ LYS 72 1HZ LYS 72 9.956 8.510 7.426 587 2HZ LYS 72 2HZ LYS 72 9.731 8.904 9.006 588 3HZ LYS 72 3HZ LYS 72 9.835 7.327 8.567 589 H ILE 73 HN ILE 73 4.617 4.932 8.673 590 HA ILE 73 HA ILE 73 3.105 2.508 8.622 591 HB ILE 73 HB ILE 73 3.754 2.609 11.359 592 1HG1 ILE 73 2HG1 ILE 73 6.382 2.627 9.860 593 2HG1 ILE 73 3HG1 ILE 73 5.736 4.021 10.755 594 1HG2 ILE 73 1HG2 ILE 73 4.838 0.710 9.257 595 2HG2 ILE 73 2HG2 ILE 73 4.632 0.378 10.993 596 3HG2 ILE 73 3HG2 ILE 73 3.213 0.670 9.981 597 1HD1 ILE 73 1HD1 ILE 73 6.456 1.319 11.960 598 2HD1 ILE 73 2HD1 ILE 73 7.312 2.855 12.165 599 3HD1 ILE 73 3HD1 ILE 73 5.682 2.663 12.835 600 H GLU 74 HN GLU 74 1.593 2.704 10.771 601 HA GLU 74 HA GLU 74 0.196 5.208 10.386 602 1HB GLU 74 2HB GLU 74 -1.492 4.280 11.730 603 2HB GLU 74 3HB GLU 74 -0.888 3.018 10.677 604 1HG GLU 74 2HG GLU 74 -1.095 1.935 12.731 605 2HG GLU 74 3HG GLU 74 0.631 2.327 12.718 606 H GLY 75 HN GLY 75 0.026 6.858 12.160 607 1HA GLY 75 1HA GLY 75 0.823 6.599 14.758 608 2HA GLY 75 2HA GLY 75 2.259 7.233 13.908 609 H ARG 76 HN ARG 76 1.187 9.008 15.726 610 HA ARG 76 HA ARG 76 0.636 11.201 14.085 611 1HB ARG 76 2HB ARG 76 -1.745 10.039 14.525 612 2HB ARG 76 3HB ARG 76 -1.533 10.719 16.149 613 1HG ARG 76 2HG ARG 76 -1.108 12.977 14.977 614 2HG ARG 76 3HG ARG 76 -1.542 12.160 13.468 615 1HD ARG 76 2HD ARG 76 -3.665 11.477 15.135 616 2HD ARG 76 3HD ARG 76 -3.217 13.090 15.738 617 HE ARG 76 HE ARG 76 -3.405 12.988 12.844 618 1HH1 ARG 76 1HH2 ARG 76 -5.356 13.193 15.759 619 2HH1 ARG 76 2HH2 ARG 76 -6.751 13.893 14.998 620 1HH2 ARG 76 1HH1 ARG 76 -5.250 13.850 11.755 621 2HH2 ARG 76 2HH1 ARG 76 -6.675 14.285 12.642 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -7.654 11.438 7.994 2 2H GLY 1 2H GLY 1 -8.195 12.817 8.733 3 3H GLY 1 3H GLY 1 -6.895 11.981 9.342 4 1HA GLY 1 1HA GLY 1 -8.846 11.556 10.680 5 2HA GLY 1 2HA GLY 1 -9.638 10.946 9.208 6 H GLU 2 HN GLU 2 -8.362 9.333 7.961 7 HA GLU 2 HA GLU 2 -7.189 7.145 9.413 8 1HB GLU 2 2HB GLU 2 -7.142 7.888 6.459 9 2HB GLU 2 3HB GLU 2 -6.907 6.280 7.147 10 1HG GLU 2 2HG GLU 2 -9.049 6.165 6.363 11 2HG GLU 2 3HG GLU 2 -9.363 6.573 8.043 12 H VAL 3 HN VAL 3 -4.983 6.418 8.159 13 HA VAL 3 HA VAL 3 -2.989 8.533 8.723 14 HB VAL 3 HB VAL 3 -2.720 5.507 9.020 15 1HG1 VAL 3 1HG1 VAL 3 -0.818 6.107 10.402 16 2HG1 VAL 3 2HG1 VAL 3 -0.616 6.791 8.786 17 3HG1 VAL 3 3HG1 VAL 3 -1.119 7.842 10.126 18 1HG2 VAL 3 1HG2 VAL 3 -4.454 6.138 10.604 19 2HG2 VAL 3 2HG2 VAL 3 -2.942 5.923 11.484 20 3HG2 VAL 3 3HG2 VAL 3 -3.527 7.566 11.106 21 H VAL 4 HN VAL 4 -1.396 8.813 7.169 22 HA VAL 4 HA VAL 4 -1.664 7.489 4.585 23 HB VAL 4 HB VAL 4 0.054 9.737 5.717 24 1HG1 VAL 4 1HG1 VAL 4 0.754 10.075 3.337 25 2HG1 VAL 4 2HG1 VAL 4 1.396 8.602 4.084 26 3HG1 VAL 4 3HG1 VAL 4 0.018 8.495 2.959 27 1HG2 VAL 4 1HG2 VAL 4 -1.270 11.114 4.133 28 2HG2 VAL 4 2HG2 VAL 4 -2.194 9.678 3.645 29 3HG2 VAL 4 3HG2 VAL 4 -2.330 10.311 5.300 30 H LEU 5 HN LEU 5 -0.335 5.897 3.910 31 HA LEU 5 HA LEU 5 1.991 4.986 5.591 32 1HB LEU 5 2HB LEU 5 0.118 3.434 5.452 33 2HB LEU 5 3HB LEU 5 0.232 3.436 3.694 34 HG LEU 5 HG LEU 5 2.877 3.019 4.971 35 1HD1 LEU 5 1HD1 LEU 5 1.353 0.536 5.215 36 2HD1 LEU 5 2HD1 LEU 5 2.666 1.229 6.190 37 3HD1 LEU 5 3HD1 LEU 5 1.027 1.809 6.422 38 1HD2 LEU 5 1HD2 LEU 5 3.101 1.355 3.314 39 2HD2 LEU 5 2HD2 LEU 5 1.350 1.246 3.024 40 3HD2 LEU 5 3HD2 LEU 5 2.239 2.690 2.519 41 H LYS 6 HN LYS 6 3.940 4.684 4.380 42 HA LYS 6 HA LYS 6 3.760 4.973 1.434 43 1HB LYS 6 2HB LYS 6 5.113 6.808 2.672 44 2HB LYS 6 3HB LYS 6 6.303 5.543 2.967 45 1HG LYS 6 2HG LYS 6 7.119 5.821 0.874 46 2HG LYS 6 3HG LYS 6 5.589 5.316 0.198 47 1HD LYS 6 2HD LYS 6 5.712 7.406 -0.768 48 2HD LYS 6 3HD LYS 6 4.793 7.780 0.677 49 1HE LYS 6 2HE LYS 6 6.443 9.471 0.601 50 2HE LYS 6 3HE LYS 6 7.045 8.337 1.820 51 1HZ LYS 6 1HZ LYS 6 7.918 8.519 -1.000 52 2HZ LYS 6 2HZ LYS 6 8.806 8.935 0.318 53 3HZ LYS 6 3HZ LYS 6 8.432 7.365 0.004 54 H MET 7 HN MET 7 4.154 3.064 0.438 55 HA MET 7 HA MET 7 5.962 1.094 1.733 56 1HB MET 7 2HB MET 7 4.737 -0.671 0.488 57 2HB MET 7 3HB MET 7 3.772 0.060 1.757 58 1HG MET 7 2HG MET 7 2.451 1.250 0.141 59 2HG MET 7 3HG MET 7 3.644 0.900 -1.118 60 1HE MET 7 1HE MET 7 0.357 -1.011 -2.233 61 2HE MET 7 2HE MET 7 0.632 0.613 -1.579 62 3HE MET 7 3HE MET 7 1.671 -0.023 -2.878 63 H LYS 8 HN LYS 8 7.003 -0.253 0.168 64 HA LYS 8 HA LYS 8 7.719 1.049 -2.406 65 1HB LYS 8 2HB LYS 8 9.315 -0.205 -0.211 66 2HB LYS 8 3HB LYS 8 9.685 -0.838 -1.802 67 1HG LYS 8 2HG LYS 8 9.771 2.117 -1.047 68 2HG LYS 8 3HG LYS 8 11.149 1.009 -1.159 69 1HD LYS 8 2HD LYS 8 10.132 0.562 -3.603 70 2HD LYS 8 3HD LYS 8 9.458 2.181 -3.363 71 1HE LYS 8 2HE LYS 8 11.664 3.146 -3.051 72 2HE LYS 8 3HE LYS 8 12.413 1.530 -3.035 73 1HZ LYS 8 1HZ LYS 8 11.098 2.743 -5.384 74 2HZ LYS 8 2HZ LYS 8 12.711 2.475 -5.152 75 3HZ LYS 8 3HZ LYS 8 11.700 1.189 -5.247 76 H VAL 9 HN VAL 9 7.207 -0.169 -4.138 77 HA VAL 9 HA VAL 9 6.245 -2.979 -3.815 78 HB VAL 9 HB VAL 9 5.365 -0.936 -5.903 79 1HG1 VAL 9 1HG1 VAL 9 3.541 -2.532 -6.301 80 2HG1 VAL 9 2HG1 VAL 9 5.083 -3.373 -6.491 81 3HG1 VAL 9 3HG1 VAL 9 4.147 -3.593 -5.012 82 1HG2 VAL 9 1HG2 VAL 9 3.225 -0.822 -4.621 83 2HG2 VAL 9 2HG2 VAL 9 4.014 -1.687 -3.282 84 3HG2 VAL 9 3HG2 VAL 9 4.586 -0.077 -3.774 85 H GLU 10 HN GLU 10 8.787 -3.007 -3.921 86 HA GLU 10 HA GLU 10 10.124 -2.266 -6.301 87 1HB GLU 10 2HB GLU 10 10.831 -4.453 -4.350 88 2HB GLU 10 3HB GLU 10 11.918 -3.779 -5.572 89 1HG GLU 10 2HG GLU 10 10.625 -2.064 -3.402 90 2HG GLU 10 3HG GLU 10 12.161 -2.891 -3.225 91 H GLY 11 HN GLY 11 10.294 -3.224 -8.294 92 1HA GLY 11 1HA GLY 11 10.477 -5.235 -9.643 93 2HA GLY 11 2HA GLY 11 9.247 -6.034 -8.670 94 H MET 12 HN MET 12 7.277 -3.894 -8.566 95 HA MET 12 HA MET 12 6.226 -4.112 -11.329 96 1HB MET 12 2HB MET 12 5.075 -2.912 -8.787 97 2HB MET 12 3HB MET 12 4.293 -2.826 -10.366 98 1HG MET 12 2HG MET 12 4.934 -5.388 -8.875 99 2HG MET 12 3HG MET 12 3.355 -4.630 -9.075 100 1HE MET 12 1HE MET 12 2.180 -6.735 -9.902 101 2HE MET 12 2HE MET 12 1.689 -5.360 -10.905 102 3HE MET 12 3HE MET 12 2.048 -6.919 -11.669 103 H THR 13 HN THR 13 8.243 -3.036 -11.990 104 HA THR 13 HA THR 13 8.058 -0.047 -11.900 105 HB THR 13 HB THR 13 9.827 -1.139 -10.624 106 HG1 THR 13 1HG THR 13 11.445 0.271 -11.421 107 1HG2 THR 13 1HG2 THR 13 10.987 -1.843 -13.335 108 2HG2 THR 13 2HG2 THR 13 11.788 -2.042 -11.759 109 3HG2 THR 13 3HG2 THR 13 10.355 -3.007 -12.150 110 H CYS 14 HN CYS 14 7.382 -2.549 -13.966 111 HA CYS 14 HA CYS 14 8.829 -1.626 -16.302 112 1HB CYS 14 2HB CYS 14 6.667 -3.707 -15.911 113 2HB CYS 14 3HB CYS 14 7.355 -3.301 -17.500 114 HG CYS 14 HG CYS 14 8.449 -5.477 -16.680 115 H HIS 15 HN HIS 15 5.269 -2.061 -16.236 116 HA HIS 15 HA HIS 15 4.709 0.695 -16.772 117 1HB HIS 15 2HB HIS 15 3.941 0.253 -19.180 118 2HB HIS 15 3HB HIS 15 5.655 0.514 -18.893 119 HD1 HIS 15 1HD HIS 15 3.487 -2.706 -18.881 120 HD2 HIS 15 2HD HIS 15 7.180 -1.152 -20.148 121 HE1 HIS 15 1HE HIS 15 4.688 -4.596 -20.145 122 H SER 16 HN SER 16 2.643 1.019 -16.326 123 HA SER 16 HA SER 16 0.504 0.707 -15.678 124 1HB SER 16 2HB SER 16 0.394 0.578 -18.075 125 2HB SER 16 3HB SER 16 0.619 -1.190 -18.035 126 HG SER 16 HG SER 16 -1.305 -1.301 -16.777 127 H CYS 17 HN CYS 17 2.000 -0.558 -13.915 128 HA CYS 17 HA CYS 17 0.425 -3.015 -13.131 129 1HB CYS 17 2HB CYS 17 3.416 -2.463 -12.991 130 2HB CYS 17 3HB CYS 17 2.584 -3.578 -11.903 131 HG CYS 17 HG CYS 17 3.672 -5.012 -13.684 132 H THR 18 HN THR 18 -0.613 -0.620 -12.614 133 HA THR 18 HA THR 18 -0.029 -0.055 -9.723 134 HB THR 18 HB THR 18 -0.497 2.358 -10.417 135 HG1 THR 18 1HG THR 18 -0.427 2.804 -12.620 136 1HG2 THR 18 1HG2 THR 18 1.825 1.055 -11.886 137 2HG2 THR 18 2HG2 THR 18 1.723 2.765 -11.408 138 3HG2 THR 18 3HG2 THR 18 1.853 1.499 -10.175 139 H SER 19 HN SER 19 -2.329 1.047 -12.219 140 HA SER 19 HA SER 19 -4.420 1.369 -10.464 141 1HB SER 19 2HB SER 19 -5.894 1.285 -12.551 142 2HB SER 19 3HB SER 19 -4.482 2.359 -12.661 143 HG SER 19 HG SER 19 -4.617 0.996 -14.506 144 H THR 20 HN THR 20 -3.903 -1.552 -12.276 145 HA THR 20 HA THR 20 -5.823 -3.203 -11.240 146 HB THR 20 HB THR 20 -2.795 -3.626 -11.585 147 HG1 THR 20 1HG THR 20 -3.485 -4.366 -13.611 148 1HG2 THR 20 1HG2 THR 20 -5.101 -5.582 -11.304 149 2HG2 THR 20 2HG2 THR 20 -3.463 -6.032 -11.871 150 3HG2 THR 20 3HG2 THR 20 -3.698 -5.413 -10.221 151 H ILE 21 HN ILE 21 -2.726 -2.448 -9.550 152 HA ILE 21 HA ILE 21 -3.379 -3.924 -7.178 153 HB ILE 21 HB ILE 21 -1.253 -1.925 -8.033 154 1HG1 ILE 21 2HG1 ILE 21 0.162 -3.904 -7.142 155 2HG1 ILE 21 3HG1 ILE 21 -1.315 -4.859 -7.238 156 1HG2 ILE 21 1HG2 ILE 21 -1.460 -2.964 -5.222 157 2HG2 ILE 21 2HG2 ILE 21 -0.147 -2.024 -5.994 158 3HG2 ILE 21 3HG2 ILE 21 -1.724 -1.271 -5.749 159 1HD1 ILE 21 1HD1 ILE 21 0.050 -3.284 -9.452 160 2HD1 ILE 21 2HD1 ILE 21 0.129 -5.046 -9.228 161 3HD1 ILE 21 3HD1 ILE 21 -1.404 -4.288 -9.692 162 H GLU 22 HN GLU 22 -3.666 -0.470 -8.168 163 HA GLU 22 HA GLU 22 -4.286 0.513 -5.622 164 1HB GLU 22 2HB GLU 22 -5.004 1.521 -8.411 165 2HB GLU 22 3HB GLU 22 -5.302 2.470 -6.967 166 1HG GLU 22 2HG GLU 22 -3.004 2.586 -6.409 167 2HG GLU 22 3HG GLU 22 -2.539 1.351 -7.597 168 H GLY 23 HN GLY 23 -6.434 -0.092 -8.288 169 1HA GLY 23 1HA GLY 23 -8.984 0.047 -7.144 170 2HA GLY 23 2HA GLY 23 -8.558 -0.995 -8.513 171 H LYS 24 HN LYS 24 -6.960 -2.965 -7.500 172 HA LYS 24 HA LYS 24 -8.857 -4.654 -6.259 173 1HB LYS 24 2HB LYS 24 -6.965 -5.310 -7.696 174 2HB LYS 24 3HB LYS 24 -5.822 -4.993 -6.392 175 1HG LYS 24 2HG LYS 24 -8.135 -6.911 -5.942 176 2HG LYS 24 3HG LYS 24 -6.806 -7.392 -7.002 177 1HD LYS 24 2HD LYS 24 -5.170 -6.906 -5.129 178 2HD LYS 24 3HD LYS 24 -6.544 -6.549 -4.082 179 1HE LYS 24 2HE LYS 24 -5.843 -8.802 -3.623 180 2HE LYS 24 3HE LYS 24 -7.416 -8.871 -4.429 181 1HZ LYS 24 1HZ LYS 24 -4.789 -9.345 -5.695 182 2HZ LYS 24 2HZ LYS 24 -5.882 -10.498 -5.286 183 3HZ LYS 24 3HZ LYS 24 -6.241 -9.425 -6.474 184 H ILE 25 HN ILE 25 -5.956 -3.042 -4.843 185 HA ILE 25 HA ILE 25 -6.386 -3.837 -2.166 186 HB ILE 25 HB ILE 25 -4.947 -1.564 -3.557 187 1HG1 ILE 25 2HG1 ILE 25 -4.042 -3.813 -3.970 188 2HG1 ILE 25 3HG1 ILE 25 -2.926 -2.663 -3.223 189 1HG2 ILE 25 1HG2 ILE 25 -5.282 -1.882 -0.658 190 2HG2 ILE 25 2HG2 ILE 25 -3.714 -1.335 -1.298 191 3HG2 ILE 25 3HG2 ILE 25 -5.202 -0.447 -1.683 192 1HD1 ILE 25 1HD1 ILE 25 -4.508 -4.782 -1.746 193 2HD1 ILE 25 2HD1 ILE 25 -2.810 -4.922 -2.244 194 3HD1 ILE 25 3HD1 ILE 25 -3.287 -3.670 -1.074 195 H GLY 26 HN GLY 26 -7.769 -1.193 -4.082 196 1HA GLY 26 1HA GLY 26 -9.011 0.314 -2.114 197 2HA GLY 26 2HA GLY 26 -9.664 -0.003 -3.726 198 H LYS 27 HN LYS 27 -9.732 -3.096 -2.793 199 HA LYS 27 HA LYS 27 -12.450 -2.839 -1.632 200 1HB LYS 27 2HB LYS 27 -11.117 -4.712 -3.431 201 2HB LYS 27 3HB LYS 27 -11.778 -5.564 -2.032 202 1HG LYS 27 2HG LYS 27 -13.975 -4.604 -2.404 203 2HG LYS 27 3HG LYS 27 -13.348 -3.559 -3.699 204 1HD LYS 27 2HD LYS 27 -12.819 -5.486 -5.086 205 2HD LYS 27 3HD LYS 27 -13.301 -6.609 -3.795 206 1HE LYS 27 2HE LYS 27 -15.621 -5.863 -3.903 207 2HE LYS 27 3HE LYS 27 -15.209 -4.551 -5.018 208 1HZ LYS 27 1HZ LYS 27 -14.999 -7.421 -5.649 209 2HZ LYS 27 2HZ LYS 27 -16.199 -6.411 -6.140 210 3HZ LYS 27 3HZ LYS 27 -14.665 -6.174 -6.675 211 H LEU 28 HN LEU 28 -9.176 -3.206 -0.489 212 HA LEU 28 HA LEU 28 -9.695 -5.178 1.374 213 1HB LEU 28 2HB LEU 28 -7.565 -3.044 1.297 214 2HB LEU 28 3HB LEU 28 -7.609 -4.399 2.412 215 HG LEU 28 HG LEU 28 -6.322 -4.371 -0.028 216 1HD1 LEU 28 1HD1 LEU 28 -5.770 -5.662 2.010 217 2HD1 LEU 28 2HD1 LEU 28 -7.198 -6.681 1.720 218 3HD1 LEU 28 3HD1 LEU 28 -5.828 -6.703 0.573 219 1HD2 LEU 28 1HD2 LEU 28 -8.670 -6.279 -0.167 220 2HD2 LEU 28 2HD2 LEU 28 -8.356 -4.935 -1.298 221 3HD2 LEU 28 3HD2 LEU 28 -7.255 -6.309 -1.236 222 H GLN 29 HN GLN 29 -10.254 -5.161 3.425 223 HA GLN 29 HA GLN 29 -11.837 -3.125 4.563 224 1HB GLN 29 2HB GLN 29 -11.924 -4.509 6.538 225 2HB GLN 29 3HB GLN 29 -12.112 -5.438 5.048 226 1HG GLN 29 2HG GLN 29 -9.435 -5.662 5.342 227 2HG GLN 29 3HG GLN 29 -9.869 -5.419 7.033 228 1HE2 GLN 29 2HE2 GLN 29 -8.700 -7.835 5.805 229 2HE2 GLN 29 1HE2 GLN 29 -9.886 -9.110 6.005 230 H GLY 30 HN GLY 30 -11.090 -1.135 5.055 231 1HA GLY 30 1HA GLY 30 -10.100 0.071 6.956 232 2HA GLY 30 2HA GLY 30 -8.620 -0.880 6.756 233 H VAL 31 HN VAL 31 -9.119 -0.577 3.609 234 HA VAL 31 HA VAL 31 -7.375 1.736 3.543 235 HB VAL 31 HB VAL 31 -8.385 -0.409 1.639 236 1HG1 VAL 31 1HG1 VAL 31 -6.836 2.063 0.826 237 2HG1 VAL 31 2HG1 VAL 31 -6.992 0.578 -0.150 238 3HG1 VAL 31 3HG1 VAL 31 -8.437 1.513 0.249 239 1HG2 VAL 31 1HG2 VAL 31 -6.471 -0.901 3.170 240 2HG2 VAL 31 2HG2 VAL 31 -6.005 -0.937 1.460 241 3HG2 VAL 31 3HG2 VAL 31 -5.581 0.466 2.463 242 H GLN 32 HN GLN 32 -7.898 3.714 2.856 243 HA GLN 32 HA GLN 32 -10.672 4.285 1.912 244 1HB GLN 32 2HB GLN 32 -8.847 5.602 3.729 245 2HB GLN 32 3HB GLN 32 -9.674 6.707 2.623 246 1HG GLN 32 2HG GLN 32 -11.311 4.567 4.018 247 2HG GLN 32 3HG GLN 32 -10.734 5.909 4.975 248 1HE2 GLN 32 2HE2 GLN 32 -11.948 7.728 5.049 249 2HE2 GLN 32 1HE2 GLN 32 -13.181 8.149 3.854 250 H ARG 33 HN ARG 33 -7.137 4.932 1.220 251 HA ARG 33 HA ARG 33 -7.938 4.836 -1.560 252 1HB ARG 33 2HB ARG 33 -8.037 7.342 -0.447 253 2HB ARG 33 3HB ARG 33 -6.343 7.322 -0.908 254 1HG ARG 33 2HG ARG 33 -6.832 7.388 -3.175 255 2HG ARG 33 3HG ARG 33 -8.275 6.391 -3.002 256 1HD ARG 33 2HD ARG 33 -9.447 8.356 -1.875 257 2HD ARG 33 3HD ARG 33 -8.046 9.338 -2.261 258 HE ARG 33 HE ARG 33 -8.776 9.512 -4.427 259 1HH1 ARG 33 1HH2 ARG 33 -10.429 6.778 -2.908 260 2HH1 ARG 33 2HH2 ARG 33 -11.502 6.482 -4.237 261 1HH2 ARG 33 1HH1 ARG 33 -10.179 9.140 -6.219 262 2HH2 ARG 33 2HH1 ARG 33 -11.349 7.867 -6.167 263 H ILE 34 HN ILE 34 -6.000 5.048 -3.034 264 HA ILE 34 HA ILE 34 -3.437 4.515 -1.830 265 HB ILE 34 HB ILE 34 -4.346 2.289 -1.768 266 1HG1 ILE 34 2HG1 ILE 34 -2.547 2.442 -4.208 267 2HG1 ILE 34 3HG1 ILE 34 -1.970 2.764 -2.570 268 1HG2 ILE 34 1HG2 ILE 34 -5.020 2.497 -4.748 269 2HG2 ILE 34 2HG2 ILE 34 -5.228 1.095 -3.695 270 3HG2 ILE 34 3HG2 ILE 34 -6.195 2.528 -3.428 271 1HD1 ILE 34 1HD1 ILE 34 -3.186 0.131 -3.485 272 2HD1 ILE 34 2HD1 ILE 34 -1.470 0.473 -3.238 273 3HD1 ILE 34 3HD1 ILE 34 -2.576 0.521 -1.855 274 H LYS 35 HN LYS 35 -1.767 5.005 -3.190 275 HA LYS 35 HA LYS 35 -2.328 5.607 -6.037 276 1HB LYS 35 2HB LYS 35 -0.673 7.275 -4.097 277 2HB LYS 35 3HB LYS 35 -0.515 7.333 -5.852 278 1HG LYS 35 2HG LYS 35 -1.866 9.136 -5.335 279 2HG LYS 35 3HG LYS 35 -2.946 7.933 -6.038 280 1HD LYS 35 2HD LYS 35 -4.201 7.800 -4.161 281 2HD LYS 35 3HD LYS 35 -2.783 7.682 -3.097 282 1HE LYS 35 2HE LYS 35 -2.449 10.107 -3.170 283 2HE LYS 35 3HE LYS 35 -3.796 10.298 -4.309 284 1HZ LYS 35 1HZ LYS 35 -4.037 9.272 -1.554 285 2HZ LYS 35 2HZ LYS 35 -4.407 10.798 -2.040 286 3HZ LYS 35 3HZ LYS 35 -5.277 9.525 -2.611 287 H VAL 36 HN VAL 36 -0.908 4.291 -7.249 288 HA VAL 36 HA VAL 36 1.644 3.412 -5.912 289 HB VAL 36 HB VAL 36 -0.049 1.799 -7.847 290 1HG1 VAL 36 1HG1 VAL 36 2.433 1.356 -8.050 291 2HG1 VAL 36 2HG1 VAL 36 2.459 0.934 -6.340 292 3HG1 VAL 36 3HG1 VAL 36 1.498 -0.022 -7.473 293 1HG2 VAL 36 1HG2 VAL 36 -1.165 1.583 -5.786 294 2HG2 VAL 36 2HG2 VAL 36 -0.005 0.263 -5.685 295 3HG2 VAL 36 3HG2 VAL 36 0.300 1.778 -4.839 296 H SER 37 HN SER 37 3.495 4.066 -6.821 297 HA SER 37 HA SER 37 3.444 5.365 -9.461 298 1HB SER 37 2HB SER 37 4.788 6.244 -7.492 299 2HB SER 37 3HB SER 37 5.778 4.777 -7.637 300 HG SER 37 HG SER 37 5.486 6.802 -9.594 301 H LEU 38 HN LEU 38 4.964 4.694 -11.100 302 HA LEU 38 HA LEU 38 5.738 1.798 -11.132 303 1HB LEU 38 2HB LEU 38 5.051 3.814 -13.277 304 2HB LEU 38 3HB LEU 38 6.306 2.634 -13.647 305 HG LEU 38 HG LEU 38 3.815 1.608 -12.361 306 1HD1 LEU 38 1HD1 LEU 38 3.965 2.284 -15.306 307 2HD1 LEU 38 2HD1 LEU 38 2.608 1.529 -14.401 308 3HD1 LEU 38 3HD1 LEU 38 3.027 3.211 -14.109 309 1HD2 LEU 38 1HD2 LEU 38 4.309 -0.311 -13.884 310 2HD2 LEU 38 2HD2 LEU 38 5.696 0.599 -14.524 311 3HD2 LEU 38 3HD2 LEU 38 5.680 0.088 -12.833 312 H ASP 39 HN ASP 39 6.956 4.965 -12.323 313 HA ASP 39 HA ASP 39 9.560 4.392 -12.645 314 1HB ASP 39 2HB ASP 39 8.605 7.003 -11.377 315 2HB ASP 39 3HB ASP 39 9.977 6.755 -12.444 316 H ASN 40 HN ASN 40 8.101 5.716 -9.675 317 HA ASN 40 HA ASN 40 10.641 5.767 -8.398 318 1HB ASN 40 2HB ASN 40 8.457 7.257 -8.087 319 2HB ASN 40 3HB ASN 40 8.075 6.069 -6.842 320 1HD2 ASN 40 2HD2 ASN 40 8.255 7.763 -5.199 321 2HD2 ASN 40 1HD2 ASN 40 9.830 8.423 -4.785 322 H GLN 41 HN GLN 41 8.313 3.335 -8.867 323 HA GLN 41 HA GLN 41 7.532 1.496 -7.934 324 1HB GLN 41 2HB GLN 41 10.122 1.013 -6.513 325 2HB GLN 41 3HB GLN 41 9.082 -0.126 -7.368 326 1HG GLN 41 2HG GLN 41 9.693 1.098 -9.486 327 2HG GLN 41 3HG GLN 41 10.838 2.038 -8.529 328 1HE2 GLN 41 2HE2 GLN 41 12.728 1.350 -9.558 329 2HE2 GLN 41 1HE2 GLN 41 13.314 -0.302 -9.432 330 H GLU 42 HN GLU 42 7.497 3.975 -6.401 331 HA GLU 42 HA GLU 42 7.221 3.067 -3.559 332 1HB GLU 42 2HB GLU 42 8.619 5.157 -4.285 333 2HB GLU 42 3HB GLU 42 7.041 5.911 -4.545 334 1HG GLU 42 2HG GLU 42 7.237 6.548 -2.398 335 2HG GLU 42 3HG GLU 42 6.708 4.915 -1.991 336 H ALA 43 HN ALA 43 5.195 3.469 -2.441 337 HA ALA 43 HA ALA 43 2.908 4.454 -4.050 338 1HB ALA 43 1HB ALA 43 1.640 2.384 -3.282 339 2HB ALA 43 2HB ALA 43 2.842 2.141 -4.588 340 3HB ALA 43 3HB ALA 43 3.228 1.661 -2.958 341 H THR 44 HN THR 44 1.068 4.958 -2.748 342 HA THR 44 HA THR 44 1.701 5.460 0.090 343 HB THR 44 HB THR 44 1.002 7.401 -2.129 344 HG1 THR 44 1HG THR 44 2.761 7.379 0.091 345 1HG2 THR 44 1HG2 THR 44 0.412 7.748 0.830 346 2HG2 THR 44 2HG2 THR 44 0.551 9.096 -0.325 347 3HG2 THR 44 3HG2 THR 44 -0.727 7.889 -0.528 348 H ILE 45 HN ILE 45 0.154 4.458 1.229 349 HA ILE 45 HA ILE 45 -2.535 4.118 0.052 350 HB ILE 45 HB ILE 45 -1.477 2.731 2.482 351 1HG1 ILE 45 2HG1 ILE 45 -1.053 1.977 -0.418 352 2HG1 ILE 45 3HG1 ILE 45 0.204 2.306 0.797 353 1HG2 ILE 45 1HG2 ILE 45 -3.178 1.079 1.921 354 2HG2 ILE 45 2HG2 ILE 45 -3.956 2.642 1.946 355 3HG2 ILE 45 3HG2 ILE 45 -3.538 1.903 0.393 356 1HD1 ILE 45 1HD1 ILE 45 -1.634 -0.033 0.648 357 2HD1 ILE 45 2HD1 ILE 45 0.137 0.016 0.751 358 3HD1 ILE 45 3HD1 ILE 45 -0.819 0.454 2.175 359 H VAL 46 HN VAL 46 -4.377 4.640 1.567 360 HA VAL 46 HA VAL 46 -3.618 6.082 4.021 361 HB VAL 46 HB VAL 46 -4.162 7.681 2.275 362 1HG1 VAL 46 1HG1 VAL 46 -5.862 6.503 1.249 363 2HG1 VAL 46 2HG1 VAL 46 -6.940 6.680 2.671 364 3HG1 VAL 46 3HG1 VAL 46 -6.444 8.117 1.731 365 1HG2 VAL 46 1HG2 VAL 46 -4.243 8.232 4.713 366 2HG2 VAL 46 2HG2 VAL 46 -5.510 9.091 3.814 367 3HG2 VAL 46 3HG2 VAL 46 -5.914 7.635 4.747 368 H TYR 47 HN TYR 47 -4.325 4.986 5.754 369 HA TYR 47 HA TYR 47 -6.875 3.626 5.833 370 1HB TYR 47 2HB TYR 47 -6.066 1.372 6.043 371 2HB TYR 47 3HB TYR 47 -5.440 2.008 4.531 372 HD1 TYR 47 1HD TYR 47 -3.070 2.300 4.172 373 HD2 TYR 47 2HD TYR 47 -4.560 0.996 7.993 374 HE1 TYR 47 1HE TYR 47 -0.917 1.163 4.641 375 HE2 TYR 47 2HE TYR 47 -2.381 0.022 8.527 376 HH TYR 47 HH TYR 47 -0.460 -1.053 7.260 377 H GLN 48 HN GLN 48 -6.873 2.276 8.139 378 HA GLN 48 HA GLN 48 -4.931 3.448 9.992 379 1HB GLN 48 2HB GLN 48 -7.025 3.517 11.536 380 2HB GLN 48 3HB GLN 48 -6.650 4.905 10.477 381 1HG GLN 48 2HG GLN 48 -8.280 4.181 8.897 382 2HG GLN 48 3HG GLN 48 -8.472 2.625 9.736 383 1HE2 GLN 48 2HE2 GLN 48 -8.975 6.187 10.162 384 2HE2 GLN 48 1HE2 GLN 48 -10.312 5.999 11.280 385 HA PRO 49 HA PRO 49 -4.689 -0.592 11.752 386 1HB PRO 49 2HB PRO 49 -3.690 -0.040 14.228 387 2HB PRO 49 3HB PRO 49 -2.739 0.190 12.747 388 1HG PRO 49 2HG PRO 49 -4.300 2.295 14.258 389 2HG PRO 49 3HG PRO 49 -2.603 2.378 13.701 390 1HD PRO 49 2HD PRO 49 -4.635 3.476 12.275 391 2HD PRO 49 3HD PRO 49 -3.265 2.673 11.453 392 H HIS 50 HN HIS 50 -7.069 -0.462 11.520 393 HA HIS 50 HA HIS 50 -8.273 -1.165 14.149 394 1HB HIS 50 2HB HIS 50 -9.288 0.945 12.249 395 2HB HIS 50 3HB HIS 50 -10.471 -0.205 12.869 396 HD1 HIS 50 1HD HIS 50 -7.603 1.337 14.959 397 HD2 HIS 50 2HD HIS 50 -11.792 1.056 14.674 398 HE1 HIS 50 1HE HIS 50 -8.562 2.457 17.053 399 H LEU 51 HN LEU 51 -8.869 -1.000 10.624 400 HA LEU 51 HA LEU 51 -10.138 -3.657 10.704 401 1HB LEU 51 2HB LEU 51 -9.801 -1.520 8.615 402 2HB LEU 51 3HB LEU 51 -10.553 -3.082 8.256 403 HG LEU 51 HG LEU 51 -11.569 -1.363 10.543 404 1HD1 LEU 51 1HD1 LEU 51 -12.377 -1.139 7.620 405 2HD1 LEU 51 2HD1 LEU 51 -13.273 -0.441 8.986 406 3HD1 LEU 51 3HD1 LEU 51 -11.637 0.123 8.638 407 1HD2 LEU 51 1HD2 LEU 51 -13.674 -2.562 10.099 408 2HD2 LEU 51 2HD2 LEU 51 -12.929 -3.411 8.731 409 3HD2 LEU 51 3HD2 LEU 51 -12.373 -3.724 10.389 410 H ILE 52 HN ILE 52 -6.916 -2.314 9.872 411 HA ILE 52 HA ILE 52 -6.239 -4.887 8.611 412 HB ILE 52 HB ILE 52 -6.444 -2.953 7.092 413 1HG1 ILE 52 2HG1 ILE 52 -4.196 -3.277 6.086 414 2HG1 ILE 52 3HG1 ILE 52 -3.685 -4.253 7.440 415 1HG2 ILE 52 1HG2 ILE 52 -5.654 -1.253 8.663 416 2HG2 ILE 52 2HG2 ILE 52 -4.014 -1.939 8.554 417 3HG2 ILE 52 3HG2 ILE 52 -4.804 -1.264 7.101 418 1HD1 ILE 52 1HD1 ILE 52 -6.233 -4.820 5.869 419 2HD1 ILE 52 2HD1 ILE 52 -4.656 -5.453 5.347 420 3HD1 ILE 52 3HD1 ILE 52 -5.334 -5.921 6.930 421 H SER 53 HN SER 53 -4.226 -5.778 9.153 422 HA SER 53 HA SER 53 -3.424 -5.172 11.851 423 1HB SER 53 2HB SER 53 -2.275 -7.163 9.991 424 2HB SER 53 3HB SER 53 -2.162 -7.160 11.755 425 HG SER 53 HG SER 53 -4.374 -7.784 10.097 426 H VAL 54 HN VAL 54 -2.699 -3.289 9.712 427 HA VAL 54 HA VAL 54 -1.205 -1.704 9.301 428 HB VAL 54 HB VAL 54 -0.525 -2.512 11.947 429 1HG1 VAL 54 1HG1 VAL 54 1.833 -1.688 12.042 430 2HG1 VAL 54 2HG1 VAL 54 1.694 -3.271 11.286 431 3HG1 VAL 54 3HG1 VAL 54 1.926 -1.814 10.277 432 1HG2 VAL 54 1HG2 VAL 54 -1.406 -0.327 11.083 433 2HG2 VAL 54 2HG2 VAL 54 -0.029 -0.171 12.195 434 3HG2 VAL 54 3HG2 VAL 54 0.213 0.000 10.447 435 H GLU 55 HN GLU 55 0.633 -4.597 9.996 436 HA GLU 55 HA GLU 55 2.529 -4.189 7.864 437 1HB GLU 55 2HB GLU 55 2.873 -5.408 10.048 438 2HB GLU 55 3HB GLU 55 1.852 -6.678 9.355 439 1HG GLU 55 2HG GLU 55 4.211 -7.232 9.090 440 2HG GLU 55 3HG GLU 55 3.490 -6.922 7.492 441 H GLU 56 HN GLU 56 -0.435 -6.076 8.365 442 HA GLU 56 HA GLU 56 -0.487 -7.861 6.286 443 1HB GLU 56 2HB GLU 56 -2.547 -6.306 7.782 444 2HB GLU 56 3HB GLU 56 -3.018 -6.739 6.149 445 1HG GLU 56 2HG GLU 56 -2.430 -9.125 6.596 446 2HG GLU 56 3HG GLU 56 -2.319 -8.704 8.318 447 H MET 57 HN MET 57 -1.594 -4.430 6.042 448 HA MET 57 HA MET 57 -2.570 -4.438 3.598 449 1HB MET 57 2HB MET 57 -1.862 -2.537 5.506 450 2HB MET 57 3HB MET 57 -0.951 -2.006 4.089 451 1HG MET 57 2HG MET 57 -3.961 -2.577 4.181 452 2HG MET 57 3HG MET 57 -3.156 -1.052 4.354 453 1HE MET 57 1HE MET 57 -4.488 -3.288 0.678 454 2HE MET 57 2HE MET 57 -3.394 -4.206 1.682 455 3HE MET 57 3HE MET 57 -4.907 -3.530 2.364 456 H LYS 58 HN LYS 58 0.865 -3.977 4.390 457 HA LYS 58 HA LYS 58 1.776 -3.781 1.635 458 1HB LYS 58 2HB LYS 58 2.907 -2.638 3.401 459 2HB LYS 58 3HB LYS 58 3.129 -4.110 4.331 460 1HG LYS 58 2HG LYS 58 4.263 -4.340 1.612 461 2HG LYS 58 3HG LYS 58 4.848 -2.910 2.402 462 1HD LYS 58 2HD LYS 58 6.295 -4.091 3.678 463 2HD LYS 58 3HD LYS 58 5.028 -5.033 4.384 464 1HE LYS 58 2HE LYS 58 5.212 -6.751 2.914 465 2HE LYS 58 3HE LYS 58 5.865 -5.805 1.588 466 1HZ LYS 58 1HZ LYS 58 7.610 -6.126 3.882 467 2HZ LYS 58 2HZ LYS 58 7.283 -7.432 2.898 468 3HZ LYS 58 3HZ LYS 58 7.930 -6.102 2.245 469 H LYS 59 HN LYS 59 1.601 -6.455 4.087 470 HA LYS 59 HA LYS 59 3.021 -8.361 2.513 471 1HB LYS 59 2HB LYS 59 0.773 -8.963 4.409 472 2HB LYS 59 3HB LYS 59 2.005 -10.047 3.778 473 1HG LYS 59 2HG LYS 59 2.267 -7.903 5.836 474 2HG LYS 59 3HG LYS 59 2.687 -9.604 5.898 475 1HD LYS 59 2HD LYS 59 4.555 -8.775 4.045 476 2HD LYS 59 3HD LYS 59 4.266 -7.242 4.872 477 1HE LYS 59 2HE LYS 59 4.476 -8.845 7.076 478 2HE LYS 59 3HE LYS 59 5.319 -9.905 5.951 479 1HZ LYS 59 1HZ LYS 59 6.015 -7.102 6.532 480 2HZ LYS 59 2HZ LYS 59 6.725 -8.386 7.227 481 3HZ LYS 59 3HZ LYS 59 6.901 -8.153 5.607 482 H GLN 60 HN GLN 60 -0.348 -7.234 2.313 483 HA GLN 60 HA GLN 60 -1.377 -9.359 0.712 484 1HB GLN 60 2HB GLN 60 -2.147 -6.438 0.825 485 2HB GLN 60 3HB GLN 60 -3.124 -7.720 0.162 486 1HG GLN 60 2HG GLN 60 -2.224 -8.283 2.929 487 2HG GLN 60 3HG GLN 60 -3.067 -6.741 2.789 488 1HE2 GLN 60 2HE2 GLN 60 -4.507 -8.430 4.520 489 2HE2 GLN 60 1HE2 GLN 60 -5.728 -9.211 3.591 490 H ILE 61 HN ILE 61 0.145 -6.277 0.028 491 HA ILE 61 HA ILE 61 0.260 -6.591 -2.862 492 HB ILE 61 HB ILE 61 1.879 -4.872 -1.008 493 1HG1 ILE 61 2HG1 ILE 61 0.761 -3.203 -2.786 494 2HG1 ILE 61 3HG1 ILE 61 -0.393 -4.497 -3.020 495 1HG2 ILE 61 1HG2 ILE 61 2.080 -5.025 -4.059 496 2HG2 ILE 61 2HG2 ILE 61 2.874 -3.841 -2.990 497 3HG2 ILE 61 3HG2 ILE 61 3.361 -5.533 -2.946 498 1HD1 ILE 61 1HD1 ILE 61 0.346 -3.264 -0.339 499 2HD1 ILE 61 2HD1 ILE 61 -1.060 -2.787 -1.314 500 3HD1 ILE 61 3HD1 ILE 61 -0.969 -4.432 -0.651 501 H GLU 62 HN GLU 62 2.609 -7.658 -0.300 502 HA GLU 62 HA GLU 62 4.652 -8.537 -2.026 503 1HB GLU 62 2HB GLU 62 3.800 -9.921 0.532 504 2HB GLU 62 3HB GLU 62 5.261 -10.190 -0.427 505 1HG GLU 62 2HG GLU 62 5.405 -7.532 -0.285 506 2HG GLU 62 3HG GLU 62 4.503 -7.782 1.178 507 H ALA 63 HN ALA 63 1.795 -10.166 -0.772 508 HA ALA 63 HA ALA 63 1.985 -12.656 -2.006 509 1HB ALA 63 1HB ALA 63 -0.379 -12.889 -1.325 510 2HB ALA 63 2HB ALA 63 0.603 -12.122 -0.052 511 3HB ALA 63 3HB ALA 63 -0.464 -11.133 -1.061 512 H MET 64 HN MET 64 1.030 -9.636 -3.561 513 HA MET 64 HA MET 64 -0.482 -10.825 -5.726 514 1HB MET 64 2HB MET 64 1.270 -8.333 -5.673 515 2HB MET 64 3HB MET 64 0.190 -8.792 -6.976 516 1HG MET 64 2HG MET 64 -0.731 -8.286 -4.126 517 2HG MET 64 3HG MET 64 -0.742 -7.064 -5.389 518 1HE MET 64 1HE MET 64 -1.855 -8.582 -7.969 519 2HE MET 64 2HE MET 64 -3.586 -8.262 -7.761 520 3HE MET 64 3HE MET 64 -2.404 -6.991 -7.387 521 H GLY 65 HN GLY 65 2.897 -10.639 -4.853 522 1HA GLY 65 1HA GLY 65 4.166 -12.593 -5.519 523 2HA GLY 65 2HA GLY 65 3.623 -12.386 -7.188 524 H PHE 66 HN PHE 66 4.818 -9.928 -4.842 525 HA PHE 66 HA PHE 66 7.222 -9.414 -6.498 526 1HB PHE 66 2HB PHE 66 4.967 -7.423 -6.030 527 2HB PHE 66 3HB PHE 66 6.574 -6.958 -6.555 528 HD1 PHE 66 1HD PHE 66 3.365 -8.359 -7.597 529 HD2 PHE 66 2HD PHE 66 7.499 -7.908 -8.738 530 HE1 PHE 66 1HE PHE 66 2.814 -9.097 -9.891 531 HE2 PHE 66 2HE PHE 66 6.956 -8.702 -11.014 532 HZ PHE 66 HZ PHE 66 4.626 -9.367 -11.584 533 HA PRO 67 HA PRO 67 8.207 -9.020 -2.112 534 1HB PRO 67 2HB PRO 67 10.838 -8.219 -2.237 535 2HB PRO 67 3HB PRO 67 10.311 -9.887 -2.606 536 1HG PRO 67 2HG PRO 67 10.837 -7.639 -4.571 537 2HG PRO 67 3HG PRO 67 11.449 -9.315 -4.644 538 1HD PRO 67 2HD PRO 67 9.259 -8.511 -6.036 539 2HD PRO 67 3HD PRO 67 9.307 -10.142 -5.295 540 H ALA 68 HN ALA 68 7.242 -7.333 -1.027 541 HA ALA 68 HA ALA 68 7.787 -4.558 -2.053 542 1HB ALA 68 1HB ALA 68 5.557 -3.982 -1.523 543 2HB ALA 68 2HB ALA 68 5.487 -5.549 -2.342 544 3HB ALA 68 3HB ALA 68 5.291 -5.442 -0.581 545 H PHE 69 HN PHE 69 6.992 -3.079 0.031 546 HA PHE 69 HA PHE 69 8.126 -4.012 2.467 547 1HB PHE 69 2HB PHE 69 10.141 -3.399 0.761 548 2HB PHE 69 3HB PHE 69 9.854 -1.802 1.431 549 HD1 PHE 69 1HD PHE 69 10.187 -1.412 3.909 550 HD2 PHE 69 2HD PHE 69 10.919 -5.267 2.104 551 HE1 PHE 69 1HE PHE 69 10.888 -2.309 6.100 552 HE2 PHE 69 2HE PHE 69 11.769 -6.111 4.276 553 HZ PHE 69 HZ PHE 69 11.750 -4.637 6.280 554 H VAL 70 HN VAL 70 8.051 -2.469 4.228 555 HA VAL 70 HA VAL 70 6.096 -0.299 3.700 556 HB VAL 70 HB VAL 70 5.010 -2.246 4.615 557 1HG1 VAL 70 1HG1 VAL 70 5.386 -2.882 6.886 558 2HG1 VAL 70 2HG1 VAL 70 6.925 -2.986 5.986 559 3HG1 VAL 70 3HG1 VAL 70 6.617 -1.608 7.073 560 1HG2 VAL 70 1HG2 VAL 70 3.780 -1.028 6.319 561 2HG2 VAL 70 2HG2 VAL 70 5.053 0.213 6.395 562 3HG2 VAL 70 3HG2 VAL 70 4.107 -0.013 4.903 563 H LYS 71 HN LYS 71 6.809 1.637 4.303 564 HA LYS 71 HA LYS 71 9.385 1.824 5.690 565 1HB LYS 71 2HB LYS 71 7.524 4.045 4.787 566 2HB LYS 71 3HB LYS 71 9.143 4.237 5.447 567 1HG LYS 71 2HG LYS 71 9.610 2.382 3.407 568 2HG LYS 71 3HG LYS 71 8.229 3.261 2.778 569 1HD LYS 71 2HD LYS 71 9.943 4.520 1.908 570 2HD LYS 71 3HD LYS 71 9.622 5.429 3.380 571 1HE LYS 71 2HE LYS 71 11.849 3.387 2.839 572 2HE LYS 71 3HE LYS 71 12.043 5.129 3.054 573 1HZ LYS 71 1HZ LYS 71 11.176 3.233 5.136 574 2HZ LYS 71 2HZ LYS 71 12.668 3.907 5.011 575 3HZ LYS 71 3HZ LYS 71 11.368 4.855 5.346 576 H LYS 72 HN LYS 72 6.278 3.495 6.567 577 HA LYS 72 HA LYS 72 6.376 2.535 9.270 578 1HB LYS 72 2HB LYS 72 6.583 4.815 10.289 579 2HB LYS 72 3HB LYS 72 8.100 4.200 9.625 580 1HG LYS 72 2HG LYS 72 7.949 5.627 7.677 581 2HG LYS 72 3HG LYS 72 6.269 6.025 8.026 582 1HD LYS 72 2HD LYS 72 7.132 7.924 8.801 583 2HD LYS 72 3HD LYS 72 7.265 6.995 10.297 584 1HE LYS 72 2HE LYS 72 9.663 6.514 9.773 585 2HE LYS 72 3HE LYS 72 9.500 7.383 8.234 586 1HZ LYS 72 1HZ LYS 72 9.208 8.587 10.906 587 2HZ LYS 72 2HZ LYS 72 10.482 8.781 9.885 588 3HZ LYS 72 3HZ LYS 72 9.010 9.381 9.478 589 H ILE 73 HN ILE 73 4.322 3.104 10.386 590 HA ILE 73 HA ILE 73 2.565 4.994 9.201 591 HB ILE 73 HB ILE 73 2.059 3.320 7.708 592 1HG1 ILE 73 2HG1 ILE 73 0.306 4.592 9.126 593 2HG1 ILE 73 3HG1 ILE 73 -0.116 3.524 7.788 594 1HG2 ILE 73 1HG2 ILE 73 1.963 1.409 10.033 595 2HG2 ILE 73 2HG2 ILE 73 1.352 1.003 8.428 596 3HG2 ILE 73 3HG2 ILE 73 3.055 1.424 8.651 597 1HD1 ILE 73 1HD1 ILE 73 -0.174 2.674 10.705 598 2HD1 ILE 73 2HD1 ILE 73 -1.578 3.166 9.730 599 3HD1 ILE 73 3HD1 ILE 73 -0.652 1.726 9.276 600 H GLU 74 HN GLU 74 1.724 6.041 11.037 601 HA GLU 74 HA GLU 74 0.276 4.525 12.969 602 1HB GLU 74 2HB GLU 74 2.854 6.041 13.760 603 2HB GLU 74 3HB GLU 74 1.512 5.945 14.891 604 1HG GLU 74 2HG GLU 74 1.660 3.485 14.926 605 2HG GLU 74 3HG GLU 74 3.086 3.562 13.871 606 H GLY 75 HN GLY 75 -0.997 6.003 14.321 607 1HA GLY 75 1HA GLY 75 -1.356 8.727 13.128 608 2HA GLY 75 2HA GLY 75 -2.689 7.567 13.215 609 H ARG 76 HN ARG 76 -4.046 7.880 14.917 610 HA ARG 76 HA ARG 76 -3.059 8.608 17.543 611 1HB ARG 76 2HB ARG 76 -4.547 10.462 17.812 612 2HB ARG 76 3HB ARG 76 -3.662 10.772 16.319 613 1HG ARG 76 2HG ARG 76 -5.798 11.265 15.589 614 2HG ARG 76 3HG ARG 76 -5.746 9.547 15.195 615 1HD ARG 76 2HD ARG 76 -6.681 9.398 17.765 616 2HD ARG 76 3HD ARG 76 -7.233 11.028 17.362 617 HE ARG 76 HE ARG 76 -7.898 9.165 15.273 618 1HH1 ARG 76 1HH2 ARG 76 -8.687 9.755 18.635 619 2HH1 ARG 76 2HH2 ARG 76 -10.319 9.161 18.558 620 1HH2 ARG 76 1HH1 ARG 76 -10.068 8.351 15.091 621 2HH2 ARG 76 2HH1 ARG 76 -11.111 8.317 16.476 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -7.657 5.995 12.293 2 2H GLY 1 2H GLY 1 -8.662 6.235 13.436 3 3H GLY 1 3H GLY 1 -9.053 5.116 12.265 4 1HA GLY 1 1HA GLY 1 -10.368 6.983 11.683 5 2HA GLY 1 2HA GLY 1 -8.962 8.048 11.895 6 H GLU 2 HN GLU 2 -7.334 8.135 10.262 7 HA GLU 2 HA GLU 2 -6.987 6.133 8.266 8 1HB GLU 2 2HB GLU 2 -7.353 7.835 6.391 9 2HB GLU 2 3HB GLU 2 -8.800 7.052 7.022 10 1HG GLU 2 2HG GLU 2 -9.568 8.960 8.135 11 2HG GLU 2 3HG GLU 2 -7.973 9.720 8.207 12 H VAL 3 HN VAL 3 -4.756 6.364 7.628 13 HA VAL 3 HA VAL 3 -3.484 8.948 7.963 14 HB VAL 3 HB VAL 3 -1.638 7.450 9.048 15 1HG1 VAL 3 1HG1 VAL 3 -2.690 9.590 9.955 16 2HG1 VAL 3 2HG1 VAL 3 -3.887 8.558 10.774 17 3HG1 VAL 3 3HG1 VAL 3 -2.168 8.434 11.174 18 1HG2 VAL 3 1HG2 VAL 3 -2.525 5.853 10.646 19 2HG2 VAL 3 2HG2 VAL 3 -4.178 6.238 10.124 20 3HG2 VAL 3 3HG2 VAL 3 -3.030 5.456 9.006 21 H VAL 4 HN VAL 4 -1.645 9.177 6.674 22 HA VAL 4 HA VAL 4 -1.504 7.576 4.353 23 HB VAL 4 HB VAL 4 -1.532 9.997 4.433 24 1HG1 VAL 4 1HG1 VAL 4 0.420 11.225 5.027 25 2HG1 VAL 4 2HG1 VAL 4 0.057 10.124 6.386 26 3HG1 VAL 4 3HG1 VAL 4 1.355 9.723 5.242 27 1HG2 VAL 4 1HG2 VAL 4 0.874 8.713 3.125 28 2HG2 VAL 4 2HG2 VAL 4 -0.788 8.786 2.478 29 3HG2 VAL 4 3HG2 VAL 4 0.145 10.282 2.688 30 H LEU 5 HN LEU 5 -0.374 5.816 4.048 31 HA LEU 5 HA LEU 5 2.137 5.375 5.655 32 1HB LEU 5 2HB LEU 5 0.562 3.766 6.288 33 2HB LEU 5 3HB LEU 5 0.001 3.487 4.665 34 HG LEU 5 HG LEU 5 1.390 1.707 5.777 35 1HD1 LEU 5 1HD1 LEU 5 0.878 2.025 3.302 36 2HD1 LEU 5 2HD1 LEU 5 2.600 2.370 3.108 37 3HD1 LEU 5 3HD1 LEU 5 2.077 0.823 3.787 38 1HD2 LEU 5 1HD2 LEU 5 3.446 1.984 6.522 39 2HD2 LEU 5 2HD2 LEU 5 4.006 2.485 4.930 40 3HD2 LEU 5 3HD2 LEU 5 3.432 3.687 6.076 41 H LYS 6 HN LYS 6 3.947 5.093 4.486 42 HA LYS 6 HA LYS 6 3.798 5.078 1.515 43 1HB LYS 6 2HB LYS 6 5.281 6.691 3.361 44 2HB LYS 6 3HB LYS 6 6.438 5.656 2.551 45 1HG LYS 6 2HG LYS 6 4.614 6.656 0.521 46 2HG LYS 6 3HG LYS 6 4.993 8.012 1.549 47 1HD LYS 6 2HD LYS 6 7.265 6.232 0.622 48 2HD LYS 6 3HD LYS 6 6.411 7.121 -0.607 49 1HE LYS 6 2HE LYS 6 8.344 8.422 0.118 50 2HE LYS 6 3HE LYS 6 6.835 9.273 0.454 51 1HZ LYS 6 1HZ LYS 6 8.442 7.757 2.381 52 2HZ LYS 6 2HZ LYS 6 8.330 9.400 2.294 53 3HZ LYS 6 3HZ LYS 6 7.018 8.504 2.740 54 H MET 7 HN MET 7 4.266 3.283 0.458 55 HA MET 7 HA MET 7 5.936 1.202 1.768 56 1HB MET 7 2HB MET 7 4.660 -0.501 0.703 57 2HB MET 7 3HB MET 7 3.528 0.512 1.590 58 1HG MET 7 2HG MET 7 2.737 1.476 -0.460 59 2HG MET 7 3HG MET 7 4.088 0.779 -1.376 60 1HE MET 7 1HE MET 7 0.474 -0.983 -2.320 61 2HE MET 7 2HE MET 7 0.807 0.683 -1.806 62 3HE MET 7 3HE MET 7 1.738 -0.052 -3.129 63 H LYS 8 HN LYS 8 7.222 -0.029 0.350 64 HA LYS 8 HA LYS 8 7.976 1.337 -2.178 65 1HB LYS 8 2HB LYS 8 9.580 0.279 0.009 66 2HB LYS 8 3HB LYS 8 9.899 -0.659 -1.448 67 1HG LYS 8 2HG LYS 8 10.133 2.369 -1.139 68 2HG LYS 8 3HG LYS 8 11.455 1.179 -1.198 69 1HD LYS 8 2HD LYS 8 10.434 0.483 -3.499 70 2HD LYS 8 3HD LYS 8 9.598 2.038 -3.431 71 1HE LYS 8 2HE LYS 8 12.560 2.104 -3.018 72 2HE LYS 8 3HE LYS 8 12.004 1.621 -4.615 73 1HZ LYS 8 1HZ LYS 8 11.116 4.104 -3.322 74 2HZ LYS 8 2HZ LYS 8 12.342 4.005 -4.406 75 3HZ LYS 8 3HZ LYS 8 10.817 3.648 -4.875 76 H VAL 9 HN VAL 9 7.700 0.145 -4.059 77 HA VAL 9 HA VAL 9 6.525 -2.596 -3.761 78 HB VAL 9 HB VAL 9 5.648 -0.450 -5.741 79 1HG1 VAL 9 1HG1 VAL 9 3.778 -2.052 -6.124 80 2HG1 VAL 9 2HG1 VAL 9 5.331 -2.789 -6.531 81 3HG1 VAL 9 3HG1 VAL 9 4.530 -3.207 -5.006 82 1HG2 VAL 9 1HG2 VAL 9 3.544 -0.430 -4.422 83 2HG2 VAL 9 2HG2 VAL 9 4.333 -1.426 -3.175 84 3HG2 VAL 9 3HG2 VAL 9 4.912 0.225 -3.512 85 H GLU 10 HN GLU 10 8.915 -2.966 -3.906 86 HA GLU 10 HA GLU 10 10.266 -2.248 -6.332 87 1HB GLU 10 2HB GLU 10 10.992 -4.413 -4.377 88 2HB GLU 10 3HB GLU 10 12.054 -3.675 -5.582 89 1HG GLU 10 2HG GLU 10 10.755 -2.078 -3.302 90 2HG GLU 10 3HG GLU 10 12.308 -2.876 -3.229 91 H GLY 11 HN GLY 11 10.789 -3.580 -8.143 92 1HA GLY 11 1HA GLY 11 10.923 -5.640 -9.269 93 2HA GLY 11 2HA GLY 11 9.632 -6.317 -8.286 94 H MET 12 HN MET 12 7.695 -4.132 -8.712 95 HA MET 12 HA MET 12 6.565 -5.031 -11.209 96 1HB MET 12 2HB MET 12 5.887 -2.625 -9.467 97 2HB MET 12 3HB MET 12 4.943 -3.177 -10.858 98 1HG MET 12 2HG MET 12 4.643 -5.401 -9.752 99 2HG MET 12 3HG MET 12 5.523 -4.788 -8.346 100 1HE MET 12 1HE MET 12 3.776 -5.412 -6.670 101 2HE MET 12 2HE MET 12 2.052 -4.997 -6.770 102 3HE MET 12 3HE MET 12 2.750 -6.151 -7.930 103 H THR 13 HN THR 13 7.240 -4.470 -13.213 104 HA THR 13 HA THR 13 8.843 -1.984 -13.568 105 HB THR 13 HB THR 13 10.154 -4.054 -13.518 106 HG1 THR 13 1HG THR 13 11.318 -3.415 -15.323 107 1HG2 THR 13 1HG2 THR 13 8.796 -4.642 -16.181 108 2HG2 THR 13 2HG2 THR 13 10.086 -5.584 -15.405 109 3HG2 THR 13 3HG2 THR 13 8.468 -5.527 -14.673 110 H CYS 14 HN CYS 14 8.488 -0.790 -15.365 111 HA CYS 14 HA CYS 14 7.479 0.167 -17.104 112 1HB CYS 14 2HB CYS 14 7.949 -2.056 -18.214 113 2HB CYS 14 3HB CYS 14 6.244 -2.469 -17.908 114 HG CYS 14 HG CYS 14 6.551 -1.666 -20.368 115 H HIS 15 HN HIS 15 5.784 1.568 -16.953 116 HA HIS 15 HA HIS 15 3.819 1.494 -15.029 117 1HB HIS 15 2HB HIS 15 4.406 3.519 -16.119 118 2HB HIS 15 3HB HIS 15 3.833 2.920 -17.683 119 HD1 HIS 15 1HD HIS 15 2.269 3.655 -14.183 120 HD2 HIS 15 2HD HIS 15 1.352 3.441 -18.287 121 HE1 HIS 15 1HE HIS 15 -0.197 4.288 -14.423 122 H SER 16 HN SER 16 2.490 -0.194 -14.735 123 HA SER 16 HA SER 16 0.292 -0.852 -16.510 124 1HB SER 16 2HB SER 16 2.776 -2.592 -16.335 125 2HB SER 16 3HB SER 16 1.185 -3.361 -16.456 126 HG SER 16 HG SER 16 2.205 -2.930 -18.515 127 H CYS 17 HN CYS 17 2.389 -2.482 -14.071 128 HA CYS 17 HA CYS 17 0.059 -3.460 -12.610 129 1HB CYS 17 2HB CYS 17 3.054 -3.715 -12.196 130 2HB CYS 17 3HB CYS 17 1.854 -4.326 -11.036 131 HG CYS 17 HG CYS 17 2.695 -6.301 -12.448 132 H THR 18 HN THR 18 -0.713 -1.171 -12.473 133 HA THR 18 HA THR 18 -0.090 -0.134 -9.733 134 HB THR 18 HB THR 18 -0.508 2.160 -10.706 135 HG1 THR 18 1HG THR 18 -0.691 2.408 -12.879 136 1HG2 THR 18 1HG2 THR 18 1.750 0.782 -12.225 137 2HG2 THR 18 2HG2 THR 18 1.673 2.474 -11.688 138 3HG2 THR 18 3HG2 THR 18 1.832 1.163 -10.496 139 H SER 19 HN SER 19 -2.416 0.818 -12.282 140 HA SER 19 HA SER 19 -4.379 1.214 -10.510 141 1HB SER 19 2HB SER 19 -4.936 0.238 -13.354 142 2HB SER 19 3HB SER 19 -5.916 1.370 -12.395 143 HG SER 19 HG SER 19 -4.600 2.567 -13.782 144 H THR 20 HN THR 20 -3.844 -1.905 -12.010 145 HA THR 20 HA THR 20 -6.111 -3.219 -10.911 146 HB THR 20 HB THR 20 -3.442 -3.992 -12.027 147 HG1 THR 20 1HG THR 20 -4.845 -5.424 -13.132 148 1HG2 THR 20 1HG2 THR 20 -4.905 -5.889 -10.173 149 2HG2 THR 20 2HG2 THR 20 -3.679 -6.366 -11.375 150 3HG2 THR 20 3HG2 THR 20 -3.226 -5.304 -10.041 151 H ILE 21 HN ILE 21 -2.882 -2.627 -9.470 152 HA ILE 21 HA ILE 21 -3.487 -3.939 -6.981 153 HB ILE 21 HB ILE 21 -1.348 -2.024 -8.002 154 1HG1 ILE 21 2HG1 ILE 21 -0.133 -4.244 -6.999 155 2HG1 ILE 21 3HG1 ILE 21 -1.633 -4.965 -7.564 156 1HG2 ILE 21 1HG2 ILE 21 -0.147 -2.112 -6.003 157 2HG2 ILE 21 2HG2 ILE 21 -1.697 -1.340 -5.713 158 3HG2 ILE 21 3HG2 ILE 21 -1.443 -3.024 -5.169 159 1HD1 ILE 21 1HD1 ILE 21 0.357 -3.310 -9.145 160 2HD1 ILE 21 2HD1 ILE 21 0.055 -5.048 -9.315 161 3HD1 ILE 21 3HD1 ILE 21 -1.183 -3.880 -9.826 162 H GLU 22 HN GLU 22 -3.593 -0.499 -8.106 163 HA GLU 22 HA GLU 22 -4.260 0.552 -5.599 164 1HB GLU 22 2HB GLU 22 -4.799 1.517 -8.427 165 2HB GLU 22 3HB GLU 22 -5.116 2.518 -7.022 166 1HG GLU 22 2HG GLU 22 -2.802 2.414 -6.321 167 2HG GLU 22 3HG GLU 22 -2.391 1.239 -7.575 168 H GLY 23 HN GLY 23 -6.377 0.030 -8.322 169 1HA GLY 23 1HA GLY 23 -8.932 0.326 -7.277 170 2HA GLY 23 2HA GLY 23 -8.516 -0.814 -8.568 171 H LYS 24 HN LYS 24 -7.082 -2.836 -7.397 172 HA LYS 24 HA LYS 24 -9.196 -4.239 -6.085 173 1HB LYS 24 2HB LYS 24 -7.329 -5.281 -7.448 174 2HB LYS 24 3HB LYS 24 -6.262 -5.034 -6.051 175 1HG LYS 24 2HG LYS 24 -8.014 -6.358 -4.678 176 2HG LYS 24 3HG LYS 24 -8.815 -6.696 -6.225 177 1HD LYS 24 2HD LYS 24 -6.695 -7.742 -7.046 178 2HD LYS 24 3HD LYS 24 -5.955 -7.424 -5.463 179 1HE LYS 24 2HE LYS 24 -7.594 -8.875 -4.339 180 2HE LYS 24 3HE LYS 24 -8.499 -9.087 -5.846 181 1HZ LYS 24 1HZ LYS 24 -5.765 -10.073 -5.364 182 2HZ LYS 24 2HZ LYS 24 -7.136 -10.974 -5.388 183 3HZ LYS 24 3HZ LYS 24 -6.616 -10.246 -6.762 184 H ILE 25 HN ILE 25 -6.148 -2.792 -4.802 185 HA ILE 25 HA ILE 25 -6.555 -3.583 -2.089 186 HB ILE 25 HB ILE 25 -4.991 -1.392 -3.504 187 1HG1 ILE 25 2HG1 ILE 25 -4.221 -3.708 -3.982 188 2HG1 ILE 25 3HG1 ILE 25 -3.032 -2.639 -3.223 189 1HG2 ILE 25 1HG2 ILE 25 -5.168 -1.944 -0.598 190 2HG2 ILE 25 2HG2 ILE 25 -3.708 -1.248 -1.352 191 3HG2 ILE 25 3HG2 ILE 25 -5.257 -0.404 -1.497 192 1HD1 ILE 25 1HD1 ILE 25 -4.734 -4.744 -1.884 193 2HD1 ILE 25 2HD1 ILE 25 -2.998 -4.869 -2.253 194 3HD1 ILE 25 3HD1 ILE 25 -3.568 -3.680 -1.057 195 H GLY 26 HN GLY 26 -7.725 -0.832 -4.001 196 1HA GLY 26 1HA GLY 26 -8.895 0.726 -1.994 197 2HA GLY 26 2HA GLY 26 -9.478 0.545 -3.653 198 H LYS 27 HN LYS 27 -9.763 -2.596 -2.739 199 HA LYS 27 HA LYS 27 -12.550 -2.219 -1.772 200 1HB LYS 27 2HB LYS 27 -12.677 -3.503 -3.610 201 2HB LYS 27 3HB LYS 27 -11.110 -4.248 -3.415 202 1HG LYS 27 2HG LYS 27 -11.837 -5.643 -1.628 203 2HG LYS 27 3HG LYS 27 -13.486 -5.006 -1.690 204 1HD LYS 27 2HD LYS 27 -12.131 -6.281 -4.128 205 2HD LYS 27 3HD LYS 27 -12.831 -7.268 -2.854 206 1HE LYS 27 2HE LYS 27 -14.467 -7.103 -4.579 207 2HE LYS 27 3HE LYS 27 -15.049 -6.222 -3.163 208 1HZ LYS 27 1HZ LYS 27 -13.827 -4.998 -5.556 209 2HZ LYS 27 2HZ LYS 27 -15.434 -5.034 -5.211 210 3HZ LYS 27 3HZ LYS 27 -14.410 -4.183 -4.250 211 H LEU 28 HN LEU 28 -9.298 -2.915 -0.543 212 HA LEU 28 HA LEU 28 -10.061 -4.826 1.304 213 1HB LEU 28 2HB LEU 28 -7.784 -2.846 1.245 214 2HB LEU 28 3HB LEU 28 -7.981 -4.099 2.437 215 HG LEU 28 HG LEU 28 -6.596 -4.403 0.119 216 1HD1 LEU 28 1HD1 LEU 28 -6.338 -5.670 2.245 217 2HD1 LEU 28 2HD1 LEU 28 -7.975 -6.346 2.056 218 3HD1 LEU 28 3HD1 LEU 28 -6.680 -6.879 0.989 219 1HD2 LEU 28 1HD2 LEU 28 -8.580 -4.763 -1.255 220 2HD2 LEU 28 2HD2 LEU 28 -7.621 -6.232 -1.099 221 3HD2 LEU 28 3HD2 LEU 28 -9.101 -6.056 -0.141 222 H GLN 29 HN GLN 29 -10.667 -4.808 3.287 223 HA GLN 29 HA GLN 29 -12.113 -2.747 4.533 224 1HB GLN 29 2HB GLN 29 -12.191 -4.210 6.452 225 2HB GLN 29 3HB GLN 29 -12.460 -5.079 4.939 226 1HG GLN 29 2HG GLN 29 -9.812 -5.469 5.096 227 2HG GLN 29 3HG GLN 29 -10.106 -5.150 6.802 228 1HE2 GLN 29 2HE2 GLN 29 -10.341 -7.057 7.942 229 2HE2 GLN 29 1HE2 GLN 29 -11.094 -8.509 7.295 230 H GLY 30 HN GLY 30 -11.187 -0.806 4.949 231 1HA GLY 30 1HA GLY 30 -10.126 0.301 6.894 232 2HA GLY 30 2HA GLY 30 -8.714 -0.743 6.670 233 H VAL 31 HN VAL 31 -9.204 -0.394 3.523 234 HA VAL 31 HA VAL 31 -7.348 1.834 3.438 235 HB VAL 31 HB VAL 31 -8.455 -0.242 1.526 236 1HG1 VAL 31 1HG1 VAL 31 -8.440 1.720 0.194 237 2HG1 VAL 31 2HG1 VAL 31 -6.824 2.202 0.786 238 3HG1 VAL 31 3HG1 VAL 31 -7.022 0.756 -0.238 239 1HG2 VAL 31 1HG2 VAL 31 -6.047 -0.806 1.328 240 2HG2 VAL 31 2HG2 VAL 31 -5.643 0.521 2.431 241 3HG2 VAL 31 3HG2 VAL 31 -6.571 -0.871 3.019 242 H GLN 32 HN GLN 32 -7.786 3.814 2.799 243 HA GLN 32 HA GLN 32 -10.576 4.596 2.114 244 1HB GLN 32 2HB GLN 32 -8.589 5.577 3.935 245 2HB GLN 32 3HB GLN 32 -9.120 6.876 2.854 246 1HG GLN 32 2HG GLN 32 -10.960 5.028 4.433 247 2HG GLN 32 3HG GLN 32 -10.382 6.589 5.029 248 1HE2 GLN 32 2HE2 GLN 32 -13.197 5.903 4.588 249 2HE2 GLN 32 1HE2 GLN 32 -13.761 7.028 3.363 250 H ARG 33 HN ARG 33 -7.103 5.054 1.229 251 HA ARG 33 HA ARG 33 -7.888 5.421 -1.554 252 1HB ARG 33 2HB ARG 33 -8.102 7.705 -0.768 253 2HB ARG 33 3HB ARG 33 -6.539 7.632 0.054 254 1HG ARG 33 2HG ARG 33 -5.335 7.586 -2.024 255 2HG ARG 33 3HG ARG 33 -6.814 7.353 -2.977 256 1HD ARG 33 2HD ARG 33 -6.359 9.771 -1.193 257 2HD ARG 33 3HD ARG 33 -5.782 9.713 -2.874 258 HE ARG 33 HE ARG 33 -8.408 8.987 -3.120 259 1HH1 ARG 33 1HH2 ARG 33 -6.843 11.770 -1.626 260 2HH1 ARG 33 2HH2 ARG 33 -8.049 12.920 -2.109 261 1HH2 ARG 33 1HH1 ARG 33 -9.996 10.498 -3.855 262 2HH2 ARG 33 2HH1 ARG 33 -9.884 12.169 -3.414 263 H ILE 34 HN ILE 34 -5.951 5.307 -2.966 264 HA ILE 34 HA ILE 34 -3.443 4.616 -1.720 265 HB ILE 34 HB ILE 34 -4.474 2.428 -1.840 266 1HG1 ILE 34 2HG1 ILE 34 -2.493 2.657 -4.135 267 2HG1 ILE 34 3HG1 ILE 34 -2.033 2.819 -2.439 268 1HG2 ILE 34 1HG2 ILE 34 -4.874 2.777 -4.847 269 2HG2 ILE 34 2HG2 ILE 34 -5.296 1.389 -3.840 270 3HG2 ILE 34 3HG2 ILE 34 -6.170 2.893 -3.648 271 1HD1 ILE 34 1HD1 ILE 34 -3.286 0.319 -3.614 272 2HD1 ILE 34 2HD1 ILE 34 -1.571 0.578 -3.263 273 3HD1 ILE 34 3HD1 ILE 34 -2.753 0.593 -1.944 274 H LYS 35 HN LYS 35 -1.686 4.885 -3.142 275 HA LYS 35 HA LYS 35 -2.114 6.078 -5.827 276 1HB LYS 35 2HB LYS 35 -2.213 7.939 -4.362 277 2HB LYS 35 3HB LYS 35 -0.922 7.353 -3.329 278 1HG LYS 35 2HG LYS 35 -0.370 8.074 -6.227 279 2HG LYS 35 3HG LYS 35 -0.547 9.318 -4.986 280 1HD LYS 35 2HD LYS 35 1.268 7.984 -3.631 281 2HD LYS 35 3HD LYS 35 1.557 7.133 -5.140 282 1HE LYS 35 2HE LYS 35 3.154 8.828 -5.159 283 2HE LYS 35 3HE LYS 35 1.884 9.416 -6.246 284 1HZ LYS 35 1HZ LYS 35 2.316 10.212 -3.430 285 2HZ LYS 35 2HZ LYS 35 2.633 11.129 -4.753 286 3HZ LYS 35 3HZ LYS 35 1.079 10.760 -4.367 287 H VAL 36 HN VAL 36 -0.911 4.560 -6.984 288 HA VAL 36 HA VAL 36 1.718 3.674 -5.836 289 HB VAL 36 HB VAL 36 -0.046 2.395 -7.943 290 1HG1 VAL 36 1HG1 VAL 36 1.603 0.540 -7.865 291 2HG1 VAL 36 2HG1 VAL 36 2.332 2.027 -8.493 292 3HG1 VAL 36 3HG1 VAL 36 2.659 1.530 -6.828 293 1HG2 VAL 36 1HG2 VAL 36 -0.349 0.615 -6.339 294 2HG2 VAL 36 2HG2 VAL 36 0.838 1.316 -5.230 295 3HG2 VAL 36 3HG2 VAL 36 -0.715 2.120 -5.475 296 H SER 37 HN SER 37 3.571 4.323 -6.775 297 HA SER 37 HA SER 37 3.481 5.499 -9.527 298 1HB SER 37 2HB SER 37 3.918 7.235 -7.909 299 2HB SER 37 3HB SER 37 5.211 6.263 -7.173 300 HG SER 37 HG SER 37 5.704 7.938 -8.943 301 H LEU 38 HN LEU 38 3.805 3.416 -10.422 302 HA LEU 38 HA LEU 38 5.896 1.629 -9.809 303 1HB LEU 38 2HB LEU 38 3.939 1.388 -11.374 304 2HB LEU 38 3HB LEU 38 4.854 2.271 -12.599 305 HG LEU 38 HG LEU 38 5.846 -0.224 -11.138 306 1HD1 LEU 38 1HD1 LEU 38 5.136 -1.560 -13.068 307 2HD1 LEU 38 2HD1 LEU 38 3.791 -0.867 -12.148 308 3HD1 LEU 38 3HD1 LEU 38 4.272 -0.141 -13.689 309 1HD2 LEU 38 1HD2 LEU 38 7.667 0.892 -12.242 310 2HD2 LEU 38 2HD2 LEU 38 7.205 -0.438 -13.282 311 3HD2 LEU 38 3HD2 LEU 38 6.694 1.206 -13.703 312 H ASP 39 HN ASP 39 5.874 4.584 -11.961 313 HA ASP 39 HA ASP 39 8.446 4.820 -12.743 314 1HB ASP 39 2HB ASP 39 6.878 7.012 -11.319 315 2HB ASP 39 3HB ASP 39 8.179 7.218 -12.465 316 H ASN 40 HN ASN 40 7.238 5.968 -9.523 317 HA ASN 40 HA ASN 40 9.905 6.539 -8.788 318 1HB ASN 40 2HB ASN 40 7.878 7.799 -8.011 319 2HB ASN 40 3HB ASN 40 7.565 6.468 -6.883 320 1HD2 ASN 40 2HD2 ASN 40 7.737 8.514 -5.414 321 2HD2 ASN 40 1HD2 ASN 40 9.352 8.875 -4.825 322 H GLN 41 HN GLN 41 8.187 3.668 -8.893 323 HA GLN 41 HA GLN 41 8.312 1.590 -8.167 324 1HB GLN 41 2HB GLN 41 11.015 2.290 -6.930 325 2HB GLN 41 3HB GLN 41 10.421 0.693 -7.427 326 1HG GLN 41 2HG GLN 41 10.113 1.578 -9.722 327 2HG GLN 41 3HG GLN 41 10.845 3.094 -9.225 328 1HE2 GLN 41 2HE2 GLN 41 13.118 3.209 -8.745 329 2HE2 GLN 41 1HE2 GLN 41 14.194 1.935 -9.300 330 H GLU 42 HN GLU 42 7.286 3.801 -6.639 331 HA GLU 42 HA GLU 42 7.185 2.693 -3.867 332 1HB GLU 42 2HB GLU 42 8.837 4.755 -4.401 333 2HB GLU 42 3HB GLU 42 7.368 5.696 -4.231 334 1HG GLU 42 2HG GLU 42 7.088 5.046 -1.945 335 2HG GLU 42 3HG GLU 42 8.167 3.662 -2.111 336 H ALA 43 HN ALA 43 5.338 3.385 -2.584 337 HA ALA 43 HA ALA 43 3.073 4.540 -4.108 338 1HB ALA 43 1HB ALA 43 1.655 2.618 -3.598 339 2HB ALA 43 2HB ALA 43 3.017 2.160 -4.661 340 3HB ALA 43 3HB ALA 43 3.059 1.760 -2.947 341 H THR 44 HN THR 44 1.169 4.841 -2.605 342 HA THR 44 HA THR 44 1.879 5.008 0.230 343 HB THR 44 HB THR 44 0.632 7.102 -1.602 344 HG1 THR 44 1HG THR 44 2.469 8.292 -0.507 345 1HG2 THR 44 1HG2 THR 44 0.959 7.069 1.401 346 2HG2 THR 44 2HG2 THR 44 0.498 8.502 0.433 347 3HG2 THR 44 3HG2 THR 44 -0.560 7.081 0.475 348 H ILE 45 HN ILE 45 0.223 3.977 1.362 349 HA ILE 45 HA ILE 45 -2.458 3.836 0.076 350 HB ILE 45 HB ILE 45 -1.559 2.092 2.341 351 1HG1 ILE 45 2HG1 ILE 45 -1.681 0.527 0.022 352 2HG1 ILE 45 3HG1 ILE 45 -0.755 1.878 -0.524 353 1HG2 ILE 45 1HG2 ILE 45 -3.420 0.675 1.575 354 2HG2 ILE 45 2HG2 ILE 45 -4.013 2.299 1.915 355 3HG2 ILE 45 3HG2 ILE 45 -3.753 1.787 0.241 356 1HD1 ILE 45 1HD1 ILE 45 -0.133 0.457 2.110 357 2HD1 ILE 45 2HD1 ILE 45 0.431 -0.143 0.576 358 3HD1 ILE 45 3HD1 ILE 45 0.934 1.485 1.106 359 H VAL 46 HN VAL 46 -4.212 4.451 1.534 360 HA VAL 46 HA VAL 46 -3.392 5.821 4.045 361 HB VAL 46 HB VAL 46 -4.797 6.744 1.667 362 1HG1 VAL 46 1HG1 VAL 46 -6.820 6.586 2.996 363 2HG1 VAL 46 2HG1 VAL 46 -6.020 7.319 4.411 364 3HG1 VAL 46 3HG1 VAL 46 -6.353 8.283 2.956 365 1HG2 VAL 46 1HG2 VAL 46 -3.624 8.277 3.959 366 2HG2 VAL 46 2HG2 VAL 46 -2.786 7.740 2.465 367 3HG2 VAL 46 3HG2 VAL 46 -4.113 8.912 2.374 368 H TYR 47 HN TYR 47 -4.184 4.742 5.734 369 HA TYR 47 HA TYR 47 -6.773 3.466 5.719 370 1HB TYR 47 2HB TYR 47 -5.966 1.171 6.127 371 2HB TYR 47 3HB TYR 47 -5.436 1.731 4.553 372 HD1 TYR 47 1HD TYR 47 -3.207 1.420 3.926 373 HD2 TYR 47 2HD TYR 47 -4.215 1.327 8.113 374 HE1 TYR 47 1HE TYR 47 -0.929 0.606 4.489 375 HE2 TYR 47 2HE TYR 47 -1.879 0.940 8.672 376 HH TYR 47 HH TYR 47 -0.041 -0.826 6.767 377 H GLN 48 HN GLN 48 -6.828 2.068 8.027 378 HA GLN 48 HA GLN 48 -5.185 3.472 10.022 379 1HB GLN 48 2HB GLN 48 -7.329 3.141 11.429 380 2HB GLN 48 3HB GLN 48 -7.189 4.582 10.392 381 1HG GLN 48 2HG GLN 48 -8.552 3.581 8.723 382 2HG GLN 48 3HG GLN 48 -8.454 1.984 9.500 383 1HE2 GLN 48 2HE2 GLN 48 -10.981 2.809 8.851 384 2HE2 GLN 48 1HE2 GLN 48 -11.837 3.317 10.294 385 HA PRO 49 HA PRO 49 -4.539 -0.628 11.684 386 1HB PRO 49 2HB PRO 49 -3.643 -0.019 14.180 387 2HB PRO 49 3HB PRO 49 -2.686 0.347 12.730 388 1HG PRO 49 2HG PRO 49 -4.498 2.238 14.247 389 2HG PRO 49 3HG PRO 49 -2.808 2.514 13.739 390 1HD PRO 49 2HD PRO 49 -4.929 3.413 12.291 391 2HD PRO 49 3HD PRO 49 -3.444 2.822 11.486 392 H HIS 50 HN HIS 50 -6.963 -0.660 11.389 393 HA HIS 50 HA HIS 50 -8.171 -1.448 13.967 394 1HB HIS 50 2HB HIS 50 -9.037 0.955 12.442 395 2HB HIS 50 3HB HIS 50 -10.334 -0.212 12.688 396 HD1 HIS 50 1HD HIS 50 -7.582 0.810 15.221 397 HD2 HIS 50 2HD HIS 50 -11.749 0.561 14.684 398 HE1 HIS 50 1HE HIS 50 -8.656 1.429 17.465 399 H LEU 51 HN LEU 51 -9.033 -0.983 10.508 400 HA LEU 51 HA LEU 51 -10.329 -3.627 10.498 401 1HB LEU 51 2HB LEU 51 -10.009 -1.412 8.486 402 2HB LEU 51 3HB LEU 51 -10.734 -2.971 8.063 403 HG LEU 51 HG LEU 51 -11.797 -1.350 10.393 404 1HD1 LEU 51 1HD1 LEU 51 -11.877 0.158 8.475 405 2HD1 LEU 51 2HD1 LEU 51 -12.595 -1.114 7.459 406 3HD1 LEU 51 3HD1 LEU 51 -13.506 -0.434 8.824 407 1HD2 LEU 51 1HD2 LEU 51 -13.867 -2.597 9.913 408 2HD2 LEU 51 2HD2 LEU 51 -13.104 -3.381 8.519 409 3HD2 LEU 51 3HD2 LEU 51 -12.539 -3.738 10.162 410 H ILE 52 HN ILE 52 -7.145 -2.257 9.692 411 HA ILE 52 HA ILE 52 -6.408 -4.766 8.361 412 HB ILE 52 HB ILE 52 -6.498 -2.755 6.944 413 1HG1 ILE 52 2HG1 ILE 52 -4.331 -3.063 5.925 414 2HG1 ILE 52 3HG1 ILE 52 -3.736 -4.015 7.283 415 1HG2 ILE 52 1HG2 ILE 52 -5.728 -0.850 7.677 416 2HG2 ILE 52 2HG2 ILE 52 -5.014 -1.601 9.105 417 3HG2 ILE 52 3HG2 ILE 52 -4.070 -1.498 7.614 418 1HD1 ILE 52 1HD1 ILE 52 -6.279 -4.734 5.758 419 2HD1 ILE 52 2HD1 ILE 52 -4.679 -5.278 5.208 420 3HD1 ILE 52 3HD1 ILE 52 -5.296 -5.794 6.789 421 H SER 53 HN SER 53 -4.299 -5.572 8.908 422 HA SER 53 HA SER 53 -3.703 -5.168 11.702 423 1HB SER 53 2HB SER 53 -3.311 -7.197 9.724 424 2HB SER 53 3HB SER 53 -1.740 -6.838 10.396 425 HG SER 53 HG SER 53 -3.064 -8.448 11.538 426 H VAL 54 HN VAL 54 -3.123 -3.041 9.679 427 HA VAL 54 HA VAL 54 -1.666 -1.492 9.059 428 HB VAL 54 HB VAL 54 -0.744 -2.156 11.659 429 1HG1 VAL 54 1HG1 VAL 54 1.339 -3.096 10.800 430 2HG1 VAL 54 2HG1 VAL 54 1.557 -1.689 9.720 431 3HG1 VAL 54 3HG1 VAL 54 1.653 -1.502 11.484 432 1HG2 VAL 54 1HG2 VAL 54 -0.112 0.218 9.904 433 2HG2 VAL 54 2HG2 VAL 54 -1.623 -0.027 10.807 434 3HG2 VAL 54 3HG2 VAL 54 -0.086 0.169 11.681 435 H GLU 55 HN GLU 55 0.089 -4.525 9.635 436 HA GLU 55 HA GLU 55 1.748 -3.929 7.314 437 1HB GLU 55 2HB GLU 55 2.349 -5.029 9.691 438 2HB GLU 55 3HB GLU 55 2.034 -6.489 8.744 439 1HG GLU 55 2HG GLU 55 3.555 -5.490 6.943 440 2HG GLU 55 3HG GLU 55 3.954 -4.190 8.082 441 H GLU 56 HN GLU 56 -0.924 -6.071 8.068 442 HA GLU 56 HA GLU 56 -0.833 -8.109 6.229 443 1HB GLU 56 2HB GLU 56 -2.986 -6.490 7.477 444 2HB GLU 56 3HB GLU 56 -3.413 -7.049 5.863 445 1HG GLU 56 2HG GLU 56 -2.868 -9.356 6.440 446 2HG GLU 56 3HG GLU 56 -2.642 -8.864 8.134 447 H MET 57 HN MET 57 -1.982 -4.798 5.584 448 HA MET 57 HA MET 57 -2.687 -4.906 2.976 449 1HB MET 57 2HB MET 57 -1.999 -2.910 4.952 450 2HB MET 57 3HB MET 57 -1.187 -2.443 3.481 451 1HG MET 57 2HG MET 57 -4.151 -3.134 3.755 452 2HG MET 57 3HG MET 57 -3.429 -1.533 3.666 453 1HE MET 57 1HE MET 57 -1.150 -2.633 1.212 454 2HE MET 57 2HE MET 57 -1.986 -1.714 -0.035 455 3HE MET 57 3HE MET 57 -1.796 -1.029 1.605 456 H LYS 58 HN LYS 58 0.593 -3.869 3.989 457 HA LYS 58 HA LYS 58 1.700 -4.002 1.367 458 1HB LYS 58 2HB LYS 58 2.781 -2.640 2.786 459 2HB LYS 58 3HB LYS 58 2.785 -3.729 4.162 460 1HG LYS 58 2HG LYS 58 4.397 -4.364 1.659 461 2HG LYS 58 3HG LYS 58 5.006 -3.234 2.832 462 1HD LYS 58 2HD LYS 58 4.036 -5.535 4.311 463 2HD LYS 58 3HD LYS 58 4.910 -6.106 2.886 464 1HE LYS 58 2HE LYS 58 6.710 -6.094 4.206 465 2HE LYS 58 3HE LYS 58 6.742 -4.389 3.809 466 1HZ LYS 58 1HZ LYS 58 5.781 -5.606 6.311 467 2HZ LYS 58 2HZ LYS 58 6.973 -4.550 6.105 468 3HZ LYS 58 3HZ LYS 58 5.415 -4.070 5.921 469 H LYS 59 HN LYS 59 1.742 -6.431 4.049 470 HA LYS 59 HA LYS 59 3.193 -8.426 2.664 471 1HB LYS 59 2HB LYS 59 1.367 -8.264 5.004 472 2HB LYS 59 3HB LYS 59 1.379 -9.821 4.193 473 1HG LYS 59 2HG LYS 59 3.005 -9.601 6.031 474 2HG LYS 59 3HG LYS 59 3.676 -10.126 4.469 475 1HD LYS 59 2HD LYS 59 4.612 -7.802 4.136 476 2HD LYS 59 3HD LYS 59 3.883 -7.337 5.674 477 1HE LYS 59 2HE LYS 59 6.242 -7.781 6.005 478 2HE LYS 59 3HE LYS 59 5.337 -9.052 6.829 479 1HZ LYS 59 1HZ LYS 59 6.579 -9.178 4.147 480 2HZ LYS 59 2HZ LYS 59 7.248 -9.808 5.510 481 3HZ LYS 59 3HZ LYS 59 5.858 -10.452 4.894 482 H GLN 60 HN GLN 60 -0.217 -7.462 2.129 483 HA GLN 60 HA GLN 60 -0.697 -9.848 0.585 484 1HB GLN 60 2HB GLN 60 -2.782 -9.211 0.485 485 2HB GLN 60 3HB GLN 60 -2.354 -7.977 1.665 486 1HG GLN 60 2HG GLN 60 -2.002 -6.362 -0.180 487 2HG GLN 60 3HG GLN 60 -2.389 -7.613 -1.363 488 1HE2 GLN 60 2HE2 GLN 60 -4.586 -8.554 -1.293 489 2HE2 GLN 60 1HE2 GLN 60 -5.890 -7.508 -0.751 490 H ILE 61 HN ILE 61 0.434 -6.577 -0.133 491 HA ILE 61 HA ILE 61 0.628 -6.960 -2.992 492 HB ILE 61 HB ILE 61 1.972 -5.003 -1.135 493 1HG1 ILE 61 2HG1 ILE 61 0.732 -3.555 -3.102 494 2HG1 ILE 61 3HG1 ILE 61 -0.309 -4.969 -3.133 495 1HG2 ILE 61 1HG2 ILE 61 3.606 -5.529 -2.944 496 2HG2 ILE 61 2HG2 ILE 61 2.344 -5.266 -4.158 497 3HG2 ILE 61 3HG2 ILE 61 2.935 -3.922 -3.155 498 1HD1 ILE 61 1HD1 ILE 61 0.370 -3.290 -0.678 499 2HD1 ILE 61 2HD1 ILE 61 -1.117 -3.180 -1.644 500 3HD1 ILE 61 3HD1 ILE 61 -0.760 -4.663 -0.741 501 H GLU 62 HN GLU 62 2.830 -7.751 -0.251 502 HA GLU 62 HA GLU 62 5.009 -8.617 -1.854 503 1HB GLU 62 2HB GLU 62 4.193 -9.784 0.823 504 2HB GLU 62 3HB GLU 62 5.697 -10.030 -0.067 505 1HG GLU 62 2HG GLU 62 5.797 -7.416 -0.126 506 2HG GLU 62 3HG GLU 62 4.706 -7.505 1.244 507 H ALA 63 HN ALA 63 2.291 -10.369 -0.433 508 HA ALA 63 HA ALA 63 2.684 -12.922 -1.400 509 1HB ALA 63 1HB ALA 63 1.131 -12.210 0.405 510 2HB ALA 63 2HB ALA 63 0.023 -11.580 -0.827 511 3HB ALA 63 3HB ALA 63 0.374 -13.318 -0.764 512 H MET 64 HN MET 64 1.134 -10.203 -3.164 513 HA MET 64 HA MET 64 -0.006 -11.609 -5.306 514 1HB MET 64 2HB MET 64 1.641 -9.043 -5.428 515 2HB MET 64 3HB MET 64 0.607 -9.658 -6.712 516 1HG MET 64 2HG MET 64 -0.369 -8.802 -3.986 517 2HG MET 64 3HG MET 64 -0.452 -7.850 -5.460 518 1HE MET 64 1HE MET 64 -2.807 -8.310 -3.498 519 2HE MET 64 2HE MET 64 -2.970 -7.357 -4.994 520 3HE MET 64 3HE MET 64 -4.156 -8.628 -4.605 521 H GLY 65 HN GLY 65 3.416 -11.052 -4.588 522 1HA GLY 65 1HA GLY 65 4.916 -12.833 -5.309 523 2HA GLY 65 2HA GLY 65 4.208 -12.770 -6.926 524 H PHE 66 HN PHE 66 5.222 -10.091 -4.734 525 HA PHE 66 HA PHE 66 7.514 -9.432 -6.485 526 1HB PHE 66 2HB PHE 66 5.183 -7.564 -5.904 527 2HB PHE 66 3HB PHE 66 6.775 -7.003 -6.396 528 HD1 PHE 66 1HD PHE 66 3.654 -8.507 -7.578 529 HD2 PHE 66 2HD PHE 66 7.779 -7.807 -8.579 530 HE1 PHE 66 1HE PHE 66 3.159 -8.976 -9.958 531 HE2 PHE 66 2HE PHE 66 7.303 -8.327 -10.936 532 HZ PHE 66 HZ PHE 66 4.977 -8.879 -11.653 533 HA PRO 67 HA PRO 67 8.583 -8.905 -2.096 534 1HB PRO 67 2HB PRO 67 11.170 -8.019 -2.291 535 2HB PRO 67 3HB PRO 67 10.710 -9.710 -2.643 536 1HG PRO 67 2HG PRO 67 11.122 -7.457 -4.627 537 2HG PRO 67 3HG PRO 67 11.784 -9.113 -4.704 538 1HD PRO 67 2HD PRO 67 9.525 -8.354 -6.049 539 2HD PRO 67 3HD PRO 67 9.684 -10.003 -5.364 540 H ALA 68 HN ALA 68 7.523 -7.230 -1.102 541 HA ALA 68 HA ALA 68 7.992 -4.459 -2.147 542 1HB ALA 68 1HB ALA 68 5.705 -5.581 -2.341 543 2HB ALA 68 2HB ALA 68 5.564 -5.338 -0.583 544 3HB ALA 68 3HB ALA 68 5.773 -3.945 -1.653 545 H PHE 69 HN PHE 69 7.024 -3.068 0.009 546 HA PHE 69 HA PHE 69 8.226 -3.956 2.429 547 1HB PHE 69 2HB PHE 69 10.273 -3.374 0.991 548 2HB PHE 69 3HB PHE 69 9.744 -1.704 1.101 549 HD1 PHE 69 1HD PHE 69 10.440 -4.744 3.196 550 HD2 PHE 69 2HD PHE 69 10.550 -0.435 2.988 551 HE1 PHE 69 1HE PHE 69 11.475 -4.659 5.446 552 HE2 PHE 69 2HE PHE 69 11.617 -0.360 5.221 553 HZ PHE 69 HZ PHE 69 12.059 -2.466 6.468 554 H VAL 70 HN VAL 70 8.001 -2.382 4.203 555 HA VAL 70 HA VAL 70 6.111 -0.169 3.639 556 HB VAL 70 HB VAL 70 5.237 -2.538 4.804 557 1HG1 VAL 70 1HG1 VAL 70 4.618 -1.933 7.081 558 2HG1 VAL 70 2HG1 VAL 70 6.382 -2.025 6.919 559 3HG1 VAL 70 3HG1 VAL 70 5.566 -0.437 6.944 560 1HG2 VAL 70 1HG2 VAL 70 4.064 0.214 5.078 561 2HG2 VAL 70 2HG2 VAL 70 3.900 -0.821 3.648 562 3HG2 VAL 70 3HG2 VAL 70 3.194 -1.326 5.197 563 H LYS 71 HN LYS 71 6.843 1.619 4.456 564 HA LYS 71 HA LYS 71 9.285 1.656 6.048 565 1HB LYS 71 2HB LYS 71 7.441 3.927 5.241 566 2HB LYS 71 3HB LYS 71 8.973 4.073 6.118 567 1HG LYS 71 2HG LYS 71 9.937 2.604 4.108 568 2HG LYS 71 3HG LYS 71 8.456 3.095 3.291 569 1HD LYS 71 2HD LYS 71 10.142 4.612 2.640 570 2HD LYS 71 3HD LYS 71 9.082 5.494 3.764 571 1HE LYS 71 2HE LYS 71 10.739 5.251 5.582 572 2HE LYS 71 3HE LYS 71 11.700 4.133 4.604 573 1HZ LYS 71 1HZ LYS 71 11.316 6.998 4.059 574 2HZ LYS 71 2HZ LYS 71 12.666 6.282 4.654 575 3HZ LYS 71 3HZ LYS 71 12.184 5.957 3.117 576 H LYS 72 HN LYS 72 6.566 3.713 7.145 577 HA LYS 72 HA LYS 72 6.075 2.122 9.486 578 1HB LYS 72 2HB LYS 72 8.265 3.189 10.044 579 2HB LYS 72 3HB LYS 72 7.549 4.787 9.839 580 1HG LYS 72 2HG LYS 72 6.180 2.882 11.733 581 2HG LYS 72 3HG LYS 72 7.779 3.445 12.211 582 1HD LYS 72 2HD LYS 72 7.131 5.756 12.220 583 2HD LYS 72 3HD LYS 72 5.659 5.422 11.315 584 1HE LYS 72 2HE LYS 72 4.822 5.762 13.451 585 2HE LYS 72 3HE LYS 72 4.858 4.009 13.318 586 1HZ LYS 72 1HZ LYS 72 6.745 5.723 14.799 587 2HZ LYS 72 2HZ LYS 72 5.624 4.670 15.372 588 3HZ LYS 72 3HZ LYS 72 6.948 4.085 14.604 589 H ILE 73 HN ILE 73 4.232 2.952 10.635 590 HA ILE 73 HA ILE 73 2.693 5.169 9.550 591 HB ILE 73 HB ILE 73 2.194 3.608 7.920 592 1HG1 ILE 73 2HG1 ILE 73 -0.178 3.044 8.263 593 2HG1 ILE 73 3HG1 ILE 73 -0.081 3.491 9.956 594 1HG2 ILE 73 1HG2 ILE 73 1.787 1.590 10.125 595 2HG2 ILE 73 2HG2 ILE 73 1.449 1.317 8.401 596 3HG2 ILE 73 3HG2 ILE 73 3.099 1.614 8.928 597 1HD1 ILE 73 1HD1 ILE 73 0.751 5.451 7.776 598 2HD1 ILE 73 2HD1 ILE 73 -0.949 5.224 8.196 599 3HD1 ILE 73 3HD1 ILE 73 0.199 5.815 9.411 600 H GLU 74 HN GLU 74 1.085 5.732 11.177 601 HA GLU 74 HA GLU 74 0.061 3.905 13.096 602 1HB GLU 74 2HB GLU 74 2.064 6.108 13.877 603 2HB GLU 74 3HB GLU 74 0.667 5.889 14.915 604 1HG GLU 74 2HG GLU 74 1.302 3.718 15.588 605 2HG GLU 74 3HG GLU 74 2.539 3.577 14.340 606 H GLY 75 HN GLY 75 -1.718 5.032 14.285 607 1HA GLY 75 1HA GLY 75 -2.686 7.538 13.186 608 2HA GLY 75 2HA GLY 75 -3.596 6.092 12.669 609 H ARG 76 HN ARG 76 -5.038 7.793 14.072 610 HA ARG 76 HA ARG 76 -5.191 6.823 16.877 611 1HB ARG 76 2HB ARG 76 -7.317 8.485 15.541 612 2HB ARG 76 3HB ARG 76 -6.885 8.338 17.229 613 1HG ARG 76 2HG ARG 76 -5.928 10.329 17.033 614 2HG ARG 76 3HG ARG 76 -4.588 9.535 16.228 615 1HD ARG 76 2HD ARG 76 -5.232 10.263 14.109 616 2HD ARG 76 3HD ARG 76 -6.946 10.308 14.466 617 HE ARG 76 HE ARG 76 -5.106 12.474 14.672 618 1HH1 ARG 76 1HH2 ARG 76 -7.899 11.089 16.284 619 2HH1 ARG 76 2HH2 ARG 76 -8.595 12.599 16.794 620 1HH2 ARG 76 1HH1 ARG 76 -5.979 14.536 15.324 621 2HH2 ARG 76 2HH1 ARG 76 -7.443 14.609 16.248 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -6.227 7.342 12.663 2 2H GLY 1 2H GLY 1 -7.670 6.491 12.890 3 3H GLY 1 3H GLY 1 -6.688 6.184 11.649 4 1HA GLY 1 1HA GLY 1 -8.758 7.439 11.113 5 2HA GLY 1 2HA GLY 1 -7.912 8.815 11.846 6 H GLU 2 HN GLU 2 -8.361 6.966 9.063 7 HA GLU 2 HA GLU 2 -6.808 6.405 7.300 8 1HB GLU 2 2HB GLU 2 -8.417 8.976 7.109 9 2HB GLU 2 3HB GLU 2 -7.578 8.263 5.730 10 1HG GLU 2 2HG GLU 2 -9.675 7.409 5.513 11 2HG GLU 2 3HG GLU 2 -8.796 6.062 6.250 12 H VAL 3 HN VAL 3 -4.628 6.423 7.887 13 HA VAL 3 HA VAL 3 -3.223 9.003 7.583 14 HB VAL 3 HB VAL 3 -3.265 7.646 9.785 15 1HG1 VAL 3 1HG1 VAL 3 -0.977 6.377 8.309 16 2HG1 VAL 3 2HG1 VAL 3 -1.470 6.064 9.993 17 3HG1 VAL 3 3HG1 VAL 3 -2.532 5.580 8.654 18 1HG2 VAL 3 1HG2 VAL 3 -1.940 9.763 9.195 19 2HG2 VAL 3 2HG2 VAL 3 -1.137 8.694 10.327 20 3HG2 VAL 3 3HG2 VAL 3 -0.635 8.692 8.627 21 H VAL 4 HN VAL 4 -1.413 9.096 6.408 22 HA VAL 4 HA VAL 4 -1.363 7.412 4.044 23 HB VAL 4 HB VAL 4 -0.039 9.972 4.971 24 1HG1 VAL 4 1HG1 VAL 4 1.833 8.956 3.971 25 2HG1 VAL 4 2HG1 VAL 4 0.863 8.235 2.677 26 3HG1 VAL 4 3HG1 VAL 4 1.141 9.993 2.715 27 1HG2 VAL 4 1HG2 VAL 4 -1.686 9.201 2.518 28 2HG2 VAL 4 2HG2 VAL 4 -2.293 10.051 3.956 29 3HG2 VAL 4 3HG2 VAL 4 -1.098 10.831 2.910 30 H LEU 5 HN LEU 5 0.047 5.808 3.643 31 HA LEU 5 HA LEU 5 2.535 5.540 5.283 32 1HB LEU 5 2HB LEU 5 1.273 3.916 6.186 33 2HB LEU 5 3HB LEU 5 0.339 3.588 4.733 34 HG LEU 5 HG LEU 5 1.744 1.726 5.453 35 1HD1 LEU 5 1HD1 LEU 5 1.090 2.206 2.989 36 2HD1 LEU 5 2HD1 LEU 5 2.832 2.447 2.764 37 3HD1 LEU 5 3HD1 LEU 5 2.222 0.918 3.399 38 1HD2 LEU 5 1HD2 LEU 5 4.020 3.642 5.201 39 2HD2 LEU 5 2HD2 LEU 5 3.728 2.315 6.332 40 3HD2 LEU 5 3HD2 LEU 5 4.279 1.973 4.691 41 H LYS 6 HN LYS 6 4.265 5.417 4.033 42 HA LYS 6 HA LYS 6 3.980 4.983 1.116 43 1HB LYS 6 2HB LYS 6 6.121 6.402 2.718 44 2HB LYS 6 3HB LYS 6 6.453 5.717 1.123 45 1HG LYS 6 2HG LYS 6 4.023 7.084 0.767 46 2HG LYS 6 3HG LYS 6 4.929 8.164 1.797 47 1HD LYS 6 2HD LYS 6 6.139 6.951 -0.764 48 2HD LYS 6 3HD LYS 6 5.045 8.314 -0.821 49 1HE LYS 6 2HE LYS 6 7.182 9.274 -0.871 50 2HE LYS 6 3HE LYS 6 6.535 9.605 0.745 51 1HZ LYS 6 1HZ LYS 6 8.523 7.633 -0.100 52 2HZ LYS 6 2HZ LYS 6 8.771 8.890 0.920 53 3HZ LYS 6 3HZ LYS 6 7.866 7.584 1.412 54 H MET 7 HN MET 7 4.729 3.240 0.184 55 HA MET 7 HA MET 7 6.349 1.274 1.741 56 1HB MET 7 2HB MET 7 4.895 -0.490 0.841 57 2HB MET 7 3HB MET 7 4.022 0.591 1.918 58 1HG MET 7 2HG MET 7 3.040 1.775 -0.053 59 2HG MET 7 3HG MET 7 3.985 0.715 -1.114 60 1HE MET 7 1HE MET 7 1.054 0.820 -1.953 61 2HE MET 7 2HE MET 7 2.236 -0.358 -2.600 62 3HE MET 7 3HE MET 7 0.660 -0.909 -2.029 63 H LYS 8 HN LYS 8 7.670 -0.038 0.426 64 HA LYS 8 HA LYS 8 8.275 1.058 -2.282 65 1HB LYS 8 2HB LYS 8 9.738 -0.642 -0.279 66 2HB LYS 8 3HB LYS 8 10.067 -0.926 -1.977 67 1HG LYS 8 2HG LYS 8 10.197 1.840 -0.714 68 2HG LYS 8 3HG LYS 8 11.585 0.761 -0.811 69 1HD LYS 8 2HD LYS 8 10.377 0.909 -3.444 70 2HD LYS 8 3HD LYS 8 10.524 2.551 -2.859 71 1HE LYS 8 2HE LYS 8 12.433 1.825 -4.218 72 2HE LYS 8 3HE LYS 8 12.967 2.275 -2.586 73 1HZ LYS 8 1HZ LYS 8 12.180 -0.429 -3.054 74 2HZ LYS 8 2HZ LYS 8 13.487 -0.143 -3.838 75 3HZ LYS 8 3HZ LYS 8 13.501 0.054 -2.181 76 H VAL 9 HN VAL 9 8.179 -0.288 -4.121 77 HA VAL 9 HA VAL 9 6.618 -2.819 -3.857 78 HB VAL 9 HB VAL 9 6.027 -0.786 -6.037 79 1HG1 VAL 9 1HG1 VAL 9 4.386 -3.038 -4.781 80 2HG1 VAL 9 2HG1 VAL 9 3.924 -2.048 -6.180 81 3HG1 VAL 9 3HG1 VAL 9 5.288 -3.168 -6.305 82 1HG2 VAL 9 1HG2 VAL 9 5.509 0.500 -4.081 83 2HG2 VAL 9 2HG2 VAL 9 4.007 -0.111 -4.780 84 3HG2 VAL 9 3HG2 VAL 9 4.675 -0.877 -3.329 85 H GLU 10 HN GLU 10 9.093 -3.413 -4.007 86 HA GLU 10 HA GLU 10 10.446 -2.874 -6.410 87 1HB GLU 10 2HB GLU 10 10.958 -5.398 -4.872 88 2HB GLU 10 3HB GLU 10 12.037 -4.492 -5.920 89 1HG GLU 10 2HG GLU 10 10.987 -3.612 -3.219 90 2HG GLU 10 3HG GLU 10 12.635 -4.093 -3.646 91 H GLY 11 HN GLY 11 10.954 -4.330 -8.204 92 1HA GLY 11 1HA GLY 11 10.666 -6.397 -9.385 93 2HA GLY 11 2HA GLY 11 9.042 -6.578 -8.720 94 H MET 12 HN MET 12 7.706 -4.311 -9.177 95 HA MET 12 HA MET 12 7.455 -4.318 -12.072 96 1HB MET 12 2HB MET 12 6.067 -2.707 -9.889 97 2HB MET 12 3HB MET 12 5.740 -2.503 -11.608 98 1HG MET 12 2HG MET 12 5.294 -5.028 -9.980 99 2HG MET 12 3HG MET 12 4.080 -3.952 -10.665 100 1HE MET 12 1HE MET 12 4.688 -4.705 -14.569 101 2HE MET 12 2HE MET 12 4.113 -3.476 -13.413 102 3HE MET 12 3HE MET 12 5.847 -3.676 -13.711 103 H THR 13 HN THR 13 8.304 -3.010 -13.493 104 HA THR 13 HA THR 13 9.674 -0.503 -12.645 105 HB THR 13 HB THR 13 11.336 -2.220 -12.756 106 HG1 THR 13 1HG THR 13 11.313 -0.207 -14.720 107 1HG2 THR 13 1HG2 THR 13 10.469 -2.620 -15.643 108 2HG2 THR 13 2HG2 THR 13 11.889 -3.345 -14.859 109 3HG2 THR 13 3HG2 THR 13 10.262 -3.780 -14.306 110 H CYS 14 HN CYS 14 7.934 -2.265 -15.213 111 HA CYS 14 HA CYS 14 7.883 0.166 -16.895 112 1HB CYS 14 2HB CYS 14 6.855 -1.219 -18.571 113 2HB CYS 14 3HB CYS 14 8.309 -2.033 -17.963 114 HG CYS 14 HG CYS 14 6.543 -3.831 -18.421 115 H HIS 15 HN HIS 15 6.015 1.364 -17.194 116 HA HIS 15 HA HIS 15 4.012 1.429 -15.193 117 1HB HIS 15 2HB HIS 15 4.453 3.389 -16.484 118 2HB HIS 15 3HB HIS 15 4.109 2.548 -18.004 119 HD1 HIS 15 1HD HIS 15 2.146 3.656 -14.826 120 HD2 HIS 15 2HD HIS 15 1.627 2.501 -18.843 121 HE1 HIS 15 1HE HIS 15 -0.346 3.881 -15.343 122 H SER 16 HN SER 16 2.644 -0.200 -14.819 123 HA SER 16 HA SER 16 0.738 -1.169 -16.743 124 1HB SER 16 2HB SER 16 3.226 -2.768 -16.178 125 2HB SER 16 3HB SER 16 1.687 -3.662 -16.188 126 HG SER 16 HG SER 16 2.817 -3.412 -18.270 127 H CYS 17 HN CYS 17 2.237 -2.967 -14.058 128 HA CYS 17 HA CYS 17 -0.356 -3.417 -12.936 129 1HB CYS 17 2HB CYS 17 2.218 -4.648 -12.764 130 2HB CYS 17 3HB CYS 17 1.702 -4.300 -11.107 131 HG CYS 17 HG CYS 17 1.096 -6.718 -11.758 132 H THR 18 HN THR 18 -1.004 -1.309 -12.645 133 HA THR 18 HA THR 18 -0.342 -0.120 -9.970 134 HB THR 18 HB THR 18 -0.970 2.076 -11.178 135 HG1 THR 18 1HG THR 18 -0.547 0.443 -13.510 136 1HG2 THR 18 1HG2 THR 18 1.465 0.695 -12.350 137 2HG2 THR 18 2HG2 THR 18 1.210 2.444 -12.168 138 3HG2 THR 18 3HG2 THR 18 1.391 1.420 -10.725 139 H SER 19 HN SER 19 -2.718 0.697 -12.443 140 HA SER 19 HA SER 19 -4.662 1.111 -10.590 141 1HB SER 19 2HB SER 19 -4.685 1.926 -12.955 142 2HB SER 19 3HB SER 19 -5.193 0.308 -13.494 143 HG SER 19 HG SER 19 -6.903 1.923 -13.146 144 H THR 20 HN THR 20 -4.226 -1.973 -12.210 145 HA THR 20 HA THR 20 -6.334 -3.381 -11.006 146 HB THR 20 HB THR 20 -3.502 -4.049 -11.884 147 HG1 THR 20 1HG THR 20 -6.068 -4.944 -12.690 148 1HG2 THR 20 1HG2 THR 20 -5.378 -5.932 -10.445 149 2HG2 THR 20 2HG2 THR 20 -4.047 -6.464 -11.514 150 3HG2 THR 20 3HG2 THR 20 -3.688 -5.526 -10.057 151 H ILE 21 HN ILE 21 -3.048 -2.789 -9.609 152 HA ILE 21 HA ILE 21 -3.632 -4.053 -7.113 153 HB ILE 21 HB ILE 21 -1.510 -2.172 -8.214 154 1HG1 ILE 21 2HG1 ILE 21 -0.202 -4.219 -7.108 155 2HG1 ILE 21 3HG1 ILE 21 -1.716 -5.067 -7.401 156 1HG2 ILE 21 1HG2 ILE 21 -1.594 -2.954 -5.309 157 2HG2 ILE 21 2HG2 ILE 21 -0.310 -2.089 -6.206 158 3HG2 ILE 21 3HG2 ILE 21 -1.869 -1.317 -5.972 159 1HD1 ILE 21 1HD1 ILE 21 0.077 -3.618 -9.373 160 2HD1 ILE 21 2HD1 ILE 21 -0.201 -5.362 -9.269 161 3HD1 ILE 21 3HD1 ILE 21 -1.500 -4.293 -9.841 162 H GLU 22 HN GLU 22 -3.808 -0.628 -8.249 163 HA GLU 22 HA GLU 22 -4.385 0.417 -5.713 164 1HB GLU 22 2HB GLU 22 -5.021 1.417 -8.514 165 2HB GLU 22 3HB GLU 22 -5.274 2.395 -7.083 166 1HG GLU 22 2HG GLU 22 -2.920 2.222 -6.472 167 2HG GLU 22 3HG GLU 22 -2.582 1.125 -7.815 168 H GLY 23 HN GLY 23 -6.598 -0.037 -8.370 169 1HA GLY 23 1HA GLY 23 -9.117 0.232 -7.261 170 2HA GLY 23 2HA GLY 23 -8.726 -0.900 -8.567 171 H LYS 24 HN LYS 24 -7.272 -2.934 -7.444 172 HA LYS 24 HA LYS 24 -9.307 -4.366 -6.063 173 1HB LYS 24 2HB LYS 24 -7.486 -5.429 -7.405 174 2HB LYS 24 3HB LYS 24 -6.333 -5.009 -6.134 175 1HG LYS 24 2HG LYS 24 -8.509 -6.306 -4.804 176 2HG LYS 24 3HG LYS 24 -8.282 -7.214 -6.293 177 1HD LYS 24 2HD LYS 24 -5.956 -7.658 -5.746 178 2HD LYS 24 3HD LYS 24 -6.007 -6.522 -4.378 179 1HE LYS 24 2HE LYS 24 -7.701 -7.937 -3.236 180 2HE LYS 24 3HE LYS 24 -7.658 -9.093 -4.575 181 1HZ LYS 24 1HZ LYS 24 -5.375 -8.430 -2.821 182 2HZ LYS 24 2HZ LYS 24 -6.309 -9.770 -2.705 183 3HZ LYS 24 3HZ LYS 24 -5.365 -9.546 -4.030 184 H ILE 25 HN ILE 25 -6.211 -2.935 -4.829 185 HA ILE 25 HA ILE 25 -6.580 -3.634 -2.149 186 HB ILE 25 HB ILE 25 -5.037 -1.481 -3.614 187 1HG1 ILE 25 2HG1 ILE 25 -4.339 -3.837 -3.999 188 2HG1 ILE 25 3HG1 ILE 25 -3.105 -2.747 -3.352 189 1HG2 ILE 25 1HG2 ILE 25 -3.697 -1.253 -1.475 190 2HG2 ILE 25 2HG2 ILE 25 -5.229 -0.376 -1.675 191 3HG2 ILE 25 3HG2 ILE 25 -5.183 -1.842 -0.690 192 1HD1 ILE 25 1HD1 ILE 25 -4.766 -4.712 -1.754 193 2HD1 ILE 25 2HD1 ILE 25 -3.088 -4.948 -2.276 194 3HD1 ILE 25 3HD1 ILE 25 -3.483 -3.641 -1.133 195 H GLY 26 HN GLY 26 -7.832 -0.919 -4.012 196 1HA GLY 26 1HA GLY 26 -8.907 0.740 -2.087 197 2HA GLY 26 2HA GLY 26 -9.636 0.387 -3.657 198 H LYS 27 HN LYS 27 -9.971 -2.650 -2.703 199 HA LYS 27 HA LYS 27 -12.570 -2.142 -1.400 200 1HB LYS 27 2HB LYS 27 -11.304 -4.405 -2.953 201 2HB LYS 27 3HB LYS 27 -12.663 -4.670 -1.881 202 1HG LYS 27 2HG LYS 27 -13.931 -2.877 -3.057 203 2HG LYS 27 3HG LYS 27 -12.605 -2.714 -4.219 204 1HD LYS 27 2HD LYS 27 -12.943 -4.861 -5.133 205 2HD LYS 27 3HD LYS 27 -13.854 -5.454 -3.745 206 1HE LYS 27 2HE LYS 27 -14.864 -3.310 -5.681 207 2HE LYS 27 3HE LYS 27 -15.254 -5.033 -5.792 208 1HZ LYS 27 1HZ LYS 27 -15.952 -3.282 -3.527 209 2HZ LYS 27 2HZ LYS 27 -16.981 -3.858 -4.668 210 3HZ LYS 27 3HZ LYS 27 -16.265 -4.894 -3.614 211 H LEU 28 HN LEU 28 -9.276 -2.940 -0.464 212 HA LEU 28 HA LEU 28 -9.940 -4.948 1.336 213 1HB LEU 28 2HB LEU 28 -7.624 -3.013 1.283 214 2HB LEU 28 3HB LEU 28 -7.758 -4.395 2.357 215 HG LEU 28 HG LEU 28 -6.553 -4.384 -0.144 216 1HD1 LEU 28 1HD1 LEU 28 -6.209 -6.731 0.362 217 2HD1 LEU 28 2HD1 LEU 28 -5.994 -5.740 1.821 218 3HD1 LEU 28 3HD1 LEU 28 -7.505 -6.658 1.593 219 1HD2 LEU 28 1HD2 LEU 28 -8.684 -4.767 -1.317 220 2HD2 LEU 28 2HD2 LEU 28 -7.670 -6.205 -1.358 221 3HD2 LEU 28 3HD2 LEU 28 -9.029 -6.130 -0.219 222 H GLN 29 HN GLN 29 -10.467 -4.972 3.371 223 HA GLN 29 HA GLN 29 -11.894 -2.878 4.584 224 1HB GLN 29 2HB GLN 29 -12.077 -4.311 6.512 225 2HB GLN 29 3HB GLN 29 -12.318 -5.186 4.998 226 1HG GLN 29 2HG GLN 29 -9.648 -5.564 5.312 227 2HG GLN 29 3HG GLN 29 -10.117 -5.398 7.004 228 1HE2 GLN 29 2HE2 GLN 29 -9.469 -7.711 4.775 229 2HE2 GLN 29 1HE2 GLN 29 -10.626 -8.937 5.259 230 H GLY 30 HN GLY 30 -10.955 -0.951 4.995 231 1HA GLY 30 1HA GLY 30 -9.850 0.168 6.939 232 2HA GLY 30 2HA GLY 30 -8.442 -0.865 6.650 233 H VAL 31 HN VAL 31 -9.025 -0.537 3.530 234 HA VAL 31 HA VAL 31 -7.276 1.777 3.354 235 HB VAL 31 HB VAL 31 -8.371 -0.354 1.479 236 1HG1 VAL 31 1HG1 VAL 31 -6.992 0.693 -0.298 237 2HG1 VAL 31 2HG1 VAL 31 -8.438 1.602 0.161 238 3HG1 VAL 31 3HG1 VAL 31 -6.833 2.141 0.731 239 1HG2 VAL 31 1HG2 VAL 31 -5.990 -0.869 1.233 240 2HG2 VAL 31 2HG2 VAL 31 -5.556 0.479 2.305 241 3HG2 VAL 31 3HG2 VAL 31 -6.437 -0.924 2.947 242 H GLN 32 HN GLN 32 -7.896 3.755 2.839 243 HA GLN 32 HA GLN 32 -10.712 4.239 1.944 244 1HB GLN 32 2HB GLN 32 -8.947 5.599 3.801 245 2HB GLN 32 3HB GLN 32 -10.020 6.628 2.842 246 1HG GLN 32 2HG GLN 32 -11.288 4.188 4.077 247 2HG GLN 32 3HG GLN 32 -10.754 5.392 5.215 248 1HE2 GLN 32 2HE2 GLN 32 -12.152 7.101 5.669 249 2HE2 GLN 32 1HE2 GLN 32 -13.466 7.551 4.591 250 H ARG 33 HN ARG 33 -7.220 4.910 1.187 251 HA ARG 33 HA ARG 33 -8.087 5.088 -1.562 252 1HB ARG 33 2HB ARG 33 -7.958 7.521 -0.073 253 2HB ARG 33 3HB ARG 33 -6.493 7.509 -1.052 254 1HG ARG 33 2HG ARG 33 -7.788 7.315 -3.096 255 2HG ARG 33 3HG ARG 33 -9.264 6.931 -2.181 256 1HD ARG 33 2HD ARG 33 -9.209 9.146 -1.116 257 2HD ARG 33 3HD ARG 33 -7.817 9.608 -2.132 258 HE ARG 33 HE ARG 33 -9.746 8.697 -3.907 259 1HH1 ARG 33 1HH2 ARG 33 -9.604 11.240 -1.467 260 2HH1 ARG 33 2HH2 ARG 33 -10.827 12.235 -2.190 261 1HH2 ARG 33 1HH1 ARG 33 -11.396 9.982 -4.893 262 2HH2 ARG 33 2HH1 ARG 33 -11.862 11.498 -4.197 263 H ILE 34 HN ILE 34 -6.115 5.541 -3.028 264 HA ILE 34 HA ILE 34 -3.574 4.790 -1.872 265 HB ILE 34 HB ILE 34 -4.700 2.619 -2.113 266 1HG1 ILE 34 2HG1 ILE 34 -2.658 2.845 -4.334 267 2HG1 ILE 34 3HG1 ILE 34 -2.204 3.076 -2.648 268 1HG2 ILE 34 1HG2 ILE 34 -6.299 3.211 -3.959 269 2HG2 ILE 34 2HG2 ILE 34 -4.946 3.241 -5.098 270 3HG2 ILE 34 3HG2 ILE 34 -5.415 1.739 -4.308 271 1HD1 ILE 34 1HD1 ILE 34 -3.504 0.540 -3.714 272 2HD1 ILE 34 2HD1 ILE 34 -1.787 0.761 -3.336 273 3HD1 ILE 34 3HD1 ILE 34 -3.003 0.858 -2.049 274 H LYS 35 HN LYS 35 -1.842 5.296 -3.175 275 HA LYS 35 HA LYS 35 -2.278 6.130 -5.989 276 1HB LYS 35 2HB LYS 35 -0.644 7.668 -3.903 277 2HB LYS 35 3HB LYS 35 -0.606 7.917 -5.640 278 1HG LYS 35 2HG LYS 35 -1.910 9.625 -4.902 279 2HG LYS 35 3HG LYS 35 -3.105 8.474 -5.503 280 1HD LYS 35 2HD LYS 35 -4.018 8.161 -3.421 281 2HD LYS 35 3HD LYS 35 -2.448 8.186 -2.596 282 1HE LYS 35 2HE LYS 35 -2.357 10.653 -2.788 283 2HE LYS 35 3HE LYS 35 -3.892 10.660 -3.676 284 1HZ LYS 35 1HZ LYS 35 -3.529 9.768 -0.887 285 2HZ LYS 35 2HZ LYS 35 -4.173 11.202 -1.366 286 3HZ LYS 35 3HZ LYS 35 -4.955 9.796 -1.709 287 H VAL 36 HN VAL 36 -1.151 4.387 -6.931 288 HA VAL 36 HA VAL 36 1.436 3.528 -5.701 289 HB VAL 36 HB VAL 36 -0.280 2.318 -7.877 290 1HG1 VAL 36 1HG1 VAL 36 2.066 1.945 -8.512 291 2HG1 VAL 36 2HG1 VAL 36 2.459 1.454 -6.854 292 3HG1 VAL 36 3HG1 VAL 36 1.372 0.457 -7.856 293 1HG2 VAL 36 1HG2 VAL 36 -0.483 0.486 -6.282 294 2HG2 VAL 36 2HG2 VAL 36 0.666 1.254 -5.172 295 3HG2 VAL 36 3HG2 VAL 36 -0.920 1.982 -5.436 296 H SER 37 HN SER 37 3.220 4.635 -6.295 297 HA SER 37 HA SER 37 3.232 6.011 -8.932 298 1HB SER 37 2HB SER 37 3.690 7.001 -6.429 299 2HB SER 37 3HB SER 37 5.333 6.592 -6.902 300 HG SER 37 HG SER 37 4.585 8.720 -7.546 301 H LEU 38 HN LEU 38 3.492 3.812 -9.858 302 HA LEU 38 HA LEU 38 5.576 2.022 -9.468 303 1HB LEU 38 2HB LEU 38 3.572 1.938 -11.001 304 2HB LEU 38 3HB LEU 38 4.546 2.756 -12.224 305 HG LEU 38 HG LEU 38 5.426 0.182 -10.808 306 1HD1 LEU 38 1HD1 LEU 38 4.529 -1.010 -12.835 307 2HD1 LEU 38 2HD1 LEU 38 3.341 -0.390 -11.687 308 3HD1 LEU 38 3HD1 LEU 38 3.643 0.481 -13.210 309 1HD2 LEU 38 1HD2 LEU 38 6.206 1.449 -13.472 310 2HD2 LEU 38 2HD2 LEU 38 7.221 1.287 -12.019 311 3HD2 LEU 38 3HD2 LEU 38 6.721 -0.153 -12.901 312 H ASP 39 HN ASP 39 5.662 4.907 -11.663 313 HA ASP 39 HA ASP 39 8.203 5.054 -12.540 314 1HB ASP 39 2HB ASP 39 6.760 7.310 -11.069 315 2HB ASP 39 3HB ASP 39 7.987 7.471 -12.309 316 H ASN 40 HN ASN 40 7.102 6.005 -9.274 317 HA ASN 40 HA ASN 40 9.725 6.893 -8.582 318 1HB ASN 40 2HB ASN 40 7.377 7.786 -7.762 319 2HB ASN 40 3HB ASN 40 7.575 6.571 -6.497 320 1HD2 ASN 40 2HD2 ASN 40 10.323 6.735 -5.883 321 2HD2 ASN 40 1HD2 ASN 40 10.649 8.364 -5.303 322 H GLN 41 HN GLN 41 8.020 3.939 -8.514 323 HA GLN 41 HA GLN 41 8.350 1.868 -7.789 324 1HB GLN 41 2HB GLN 41 11.061 2.645 -6.649 325 2HB GLN 41 3HB GLN 41 10.496 1.060 -7.210 326 1HG GLN 41 2HG GLN 41 10.105 2.121 -9.467 327 2HG GLN 41 3HG GLN 41 10.925 3.561 -8.859 328 1HE2 GLN 41 2HE2 GLN 41 12.112 2.819 -10.992 329 2HE2 GLN 41 1HE2 GLN 41 13.570 1.885 -10.684 330 H GLU 42 HN GLU 42 7.539 4.235 -6.111 331 HA GLU 42 HA GLU 42 7.266 2.884 -3.481 332 1HB GLU 42 2HB GLU 42 8.773 5.221 -3.930 333 2HB GLU 42 3HB GLU 42 7.218 5.840 -3.390 334 1HG GLU 42 2HG GLU 42 7.334 4.334 -1.388 335 2HG GLU 42 3HG GLU 42 8.921 3.768 -1.917 336 H ALA 43 HN ALA 43 5.232 3.122 -2.531 337 HA ALA 43 HA ALA 43 3.057 4.402 -4.166 338 1HB ALA 43 1HB ALA 43 1.665 2.461 -3.526 339 2HB ALA 43 2HB ALA 43 3.004 2.050 -4.633 340 3HB ALA 43 3HB ALA 43 3.137 1.670 -2.909 341 H THR 44 HN THR 44 1.196 4.967 -2.852 342 HA THR 44 HA THR 44 1.789 5.557 -0.004 343 HB THR 44 HB THR 44 0.899 7.297 -2.321 344 HG1 THR 44 1HG THR 44 2.599 8.546 -1.576 345 1HG2 THR 44 1HG2 THR 44 0.499 7.740 0.636 346 2HG2 THR 44 2HG2 THR 44 0.620 9.100 -0.503 347 3HG2 THR 44 3HG2 THR 44 -0.688 7.919 -0.664 348 H ILE 45 HN ILE 45 0.255 4.079 0.953 349 HA ILE 45 HA ILE 45 -2.488 4.139 -0.149 350 HB ILE 45 HB ILE 45 -1.434 2.465 2.117 351 1HG1 ILE 45 2HG1 ILE 45 -1.321 1.952 -0.860 352 2HG1 ILE 45 3HG1 ILE 45 0.029 1.969 0.286 353 1HG2 ILE 45 1HG2 ILE 45 -3.984 2.699 1.753 354 2HG2 ILE 45 2HG2 ILE 45 -3.734 1.965 0.167 355 3HG2 ILE 45 3HG2 ILE 45 -3.368 1.076 1.664 356 1HD1 ILE 45 1HD1 ILE 45 -2.215 -0.050 0.229 357 2HD1 ILE 45 2HD1 ILE 45 -0.554 -0.314 -0.212 358 3HD1 ILE 45 3HD1 ILE 45 -0.925 0.087 1.481 359 H VAL 46 HN VAL 46 -4.276 4.710 1.338 360 HA VAL 46 HA VAL 46 -3.479 6.058 3.827 361 HB VAL 46 HB VAL 46 -4.167 7.644 2.042 362 1HG1 VAL 46 1HG1 VAL 46 -6.493 8.114 1.835 363 2HG1 VAL 46 2HG1 VAL 46 -6.006 6.491 1.292 364 3HG1 VAL 46 3HG1 VAL 46 -6.880 6.694 2.847 365 1HG2 VAL 46 1HG2 VAL 46 -3.908 8.313 4.397 366 2HG2 VAL 46 2HG2 VAL 46 -5.389 9.042 3.767 367 3HG2 VAL 46 3HG2 VAL 46 -5.484 7.592 4.790 368 H TYR 47 HN TYR 47 -4.128 4.947 5.547 369 HA TYR 47 HA TYR 47 -6.712 3.628 5.679 370 1HB TYR 47 2HB TYR 47 -5.873 1.352 5.934 371 2HB TYR 47 3HB TYR 47 -5.381 1.980 4.369 372 HD1 TYR 47 1HD TYR 47 -4.188 1.044 7.756 373 HD2 TYR 47 2HD TYR 47 -3.039 2.495 3.877 374 HE1 TYR 47 1HE TYR 47 -1.917 0.257 8.141 375 HE2 TYR 47 2HE TYR 47 -0.754 1.599 4.233 376 HH TYR 47 HH TYR 47 0.046 -0.588 6.901 377 H GLN 48 HN GLN 48 -6.728 2.224 7.922 378 HA GLN 48 HA GLN 48 -4.961 3.471 9.907 379 1HB GLN 48 2HB GLN 48 -6.730 4.742 10.421 380 2HB GLN 48 3HB GLN 48 -7.849 3.869 9.404 381 1HG GLN 48 2HG GLN 48 -8.249 2.176 11.060 382 2HG GLN 48 3HG GLN 48 -7.051 2.894 12.137 383 1HE2 GLN 48 2HE2 GLN 48 -10.352 3.092 10.928 384 2HE2 GLN 48 1HE2 GLN 48 -10.856 4.404 11.966 385 HA PRO 49 HA PRO 49 -4.647 -0.668 11.491 386 1HB PRO 49 2HB PRO 49 -3.619 -0.181 13.972 387 2HB PRO 49 3HB PRO 49 -2.684 0.032 12.487 388 1HG PRO 49 2HG PRO 49 -4.166 2.161 14.042 389 2HG PRO 49 3HG PRO 49 -2.479 2.216 13.456 390 1HD PRO 49 2HD PRO 49 -4.523 3.378 12.096 391 2HD PRO 49 3HD PRO 49 -3.176 2.582 11.225 392 H HIS 50 HN HIS 50 -7.055 -0.507 11.311 393 HA HIS 50 HA HIS 50 -8.159 -1.161 13.991 394 1HB HIS 50 2HB HIS 50 -8.849 1.197 13.390 395 2HB HIS 50 3HB HIS 50 -9.710 0.544 11.989 396 HD1 HIS 50 1HD HIS 50 -9.780 0.437 15.842 397 HD2 HIS 50 2HD HIS 50 -12.131 -0.486 12.475 398 HE1 HIS 50 1HE HIS 50 -12.125 -0.106 16.706 399 H LEU 51 HN LEU 51 -8.904 -1.003 10.491 400 HA LEU 51 HA LEU 51 -10.170 -3.665 10.594 401 1HB LEU 51 2HB LEU 51 -9.835 -1.590 8.445 402 2HB LEU 51 3HB LEU 51 -10.607 -3.161 8.167 403 HG LEU 51 HG LEU 51 -11.588 -1.354 10.383 404 1HD1 LEU 51 1HD1 LEU 51 -12.415 -1.233 7.451 405 2HD1 LEU 51 2HD1 LEU 51 -13.284 -0.454 8.790 406 3HD1 LEU 51 3HD1 LEU 51 -11.641 0.061 8.397 407 1HD2 LEU 51 1HD2 LEU 51 -12.984 -3.442 8.652 408 2HD2 LEU 51 2HD2 LEU 51 -12.423 -3.699 10.316 409 3HD2 LEU 51 3HD2 LEU 51 -13.711 -2.534 9.989 410 H ILE 52 HN ILE 52 -6.972 -2.268 9.784 411 HA ILE 52 HA ILE 52 -6.191 -4.830 8.563 412 HB ILE 52 HB ILE 52 -6.352 -2.886 7.021 413 1HG1 ILE 52 2HG1 ILE 52 -4.115 -3.206 6.068 414 2HG1 ILE 52 3HG1 ILE 52 -3.579 -4.120 7.461 415 1HG2 ILE 52 1HG2 ILE 52 -3.920 -1.882 8.503 416 2HG2 ILE 52 2HG2 ILE 52 -4.789 -1.148 7.126 417 3HG2 ILE 52 3HG2 ILE 52 -5.563 -1.245 8.722 418 1HD1 ILE 52 1HD1 ILE 52 -6.090 -4.844 5.902 419 2HD1 ILE 52 2HD1 ILE 52 -4.485 -5.395 5.379 420 3HD1 ILE 52 3HD1 ILE 52 -5.122 -5.883 6.979 421 H SER 53 HN SER 53 -4.150 -5.641 9.162 422 HA SER 53 HA SER 53 -3.433 -4.978 11.878 423 1HB SER 53 2HB SER 53 -2.319 -6.999 10.035 424 2HB SER 53 3HB SER 53 -2.102 -6.963 11.791 425 HG SER 53 HG SER 53 -3.821 -8.386 11.264 426 H VAL 54 HN VAL 54 -2.771 -3.077 9.828 427 HA VAL 54 HA VAL 54 -1.269 -1.493 9.428 428 HB VAL 54 HB VAL 54 -0.664 -2.338 12.013 429 1HG1 VAL 54 1HG1 VAL 54 1.440 -3.409 11.322 430 2HG1 VAL 54 2HG1 VAL 54 1.895 -1.931 10.428 431 3HG1 VAL 54 3HG1 VAL 54 1.767 -1.907 12.200 432 1HG2 VAL 54 1HG2 VAL 54 0.015 -0.100 12.312 433 2HG2 VAL 54 2HG2 VAL 54 0.542 0.029 10.626 434 3HG2 VAL 54 3HG2 VAL 54 -1.185 -0.055 10.996 435 H GLU 55 HN GLU 55 0.471 -4.512 9.749 436 HA GLU 55 HA GLU 55 2.223 -3.901 7.487 437 1HB GLU 55 2HB GLU 55 2.357 -5.448 9.862 438 2HB GLU 55 3HB GLU 55 2.284 -6.619 8.559 439 1HG GLU 55 2HG GLU 55 4.203 -5.427 7.437 440 2HG GLU 55 3HG GLU 55 4.191 -4.219 8.730 441 H GLU 56 HN GLU 56 -0.589 -5.925 8.283 442 HA GLU 56 HA GLU 56 -0.624 -7.789 6.288 443 1HB GLU 56 2HB GLU 56 -2.718 -6.308 7.813 444 2HB GLU 56 3HB GLU 56 -3.257 -6.990 6.280 445 1HG GLU 56 2HG GLU 56 -1.808 -8.655 8.329 446 2HG GLU 56 3HG GLU 56 -3.573 -8.565 8.176 447 H MET 57 HN MET 57 -1.858 -4.423 5.937 448 HA MET 57 HA MET 57 -2.829 -4.444 3.505 449 1HB MET 57 2HB MET 57 -1.935 -2.517 5.349 450 2HB MET 57 3HB MET 57 -1.083 -2.092 3.868 451 1HG MET 57 2HG MET 57 -4.107 -2.480 4.114 452 2HG MET 57 3HG MET 57 -3.196 -1.006 4.141 453 1HE MET 57 1HE MET 57 -5.024 -3.642 2.373 454 2HE MET 57 2HE MET 57 -4.764 -3.403 0.654 455 3HE MET 57 3HE MET 57 -3.579 -4.310 1.553 456 H LYS 58 HN LYS 58 0.651 -4.103 4.237 457 HA LYS 58 HA LYS 58 1.401 -3.931 1.418 458 1HB LYS 58 2HB LYS 58 2.557 -3.133 3.818 459 2HB LYS 58 3HB LYS 58 3.493 -4.582 3.467 460 1HG LYS 58 2HG LYS 58 3.067 -2.184 1.638 461 2HG LYS 58 3HG LYS 58 4.506 -2.516 2.578 462 1HD LYS 58 2HD LYS 58 5.371 -3.665 0.883 463 2HD LYS 58 3HD LYS 58 4.181 -4.891 1.176 464 1HE LYS 58 2HE LYS 58 3.851 -4.437 -1.093 465 2HE LYS 58 3HE LYS 58 2.615 -3.426 -0.366 466 1HZ LYS 58 1HZ LYS 58 5.274 -2.354 -1.146 467 2HZ LYS 58 2HZ LYS 58 3.913 -2.328 -2.064 468 3HZ LYS 58 3HZ LYS 58 3.929 -1.561 -0.622 469 H LYS 59 HN LYS 59 1.491 -6.374 4.021 470 HA LYS 59 HA LYS 59 2.893 -8.336 2.537 471 1HB LYS 59 2HB LYS 59 1.108 -8.364 4.940 472 2HB LYS 59 3HB LYS 59 1.419 -9.899 4.126 473 1HG LYS 59 2HG LYS 59 3.043 -9.505 5.895 474 2HG LYS 59 3HG LYS 59 3.797 -9.637 4.296 475 1HD LYS 59 2HD LYS 59 4.093 -7.127 4.222 476 2HD LYS 59 3HD LYS 59 3.220 -7.005 5.747 477 1HE LYS 59 2HE LYS 59 5.600 -6.848 6.161 478 2HE LYS 59 3HE LYS 59 4.961 -8.334 6.892 479 1HZ LYS 59 1HZ LYS 59 6.246 -8.277 4.239 480 2HZ LYS 59 2HZ LYS 59 7.079 -8.563 5.648 481 3HZ LYS 59 3HZ LYS 59 5.888 -9.573 5.115 482 H GLN 60 HN GLN 60 -0.512 -7.373 2.273 483 HA GLN 60 HA GLN 60 -1.442 -9.627 0.806 484 1HB GLN 60 2HB GLN 60 -2.224 -6.715 0.543 485 2HB GLN 60 3HB GLN 60 -3.152 -8.106 0.013 486 1HG GLN 60 2HG GLN 60 -2.402 -8.434 2.806 487 2HG GLN 60 3HG GLN 60 -3.083 -6.818 2.579 488 1HE2 GLN 60 2HE2 GLN 60 -4.312 -8.632 4.308 489 2HE2 GLN 60 1HE2 GLN 60 -5.887 -8.953 3.608 490 H ILE 61 HN ILE 61 0.197 -6.661 -0.074 491 HA ILE 61 HA ILE 61 0.266 -7.157 -2.954 492 HB ILE 61 HB ILE 61 1.693 -5.226 -1.207 493 1HG1 ILE 61 2HG1 ILE 61 0.497 -3.750 -3.147 494 2HG1 ILE 61 3HG1 ILE 61 -0.603 -5.117 -3.162 495 1HG2 ILE 61 1HG2 ILE 61 3.318 -5.831 -2.994 496 2HG2 ILE 61 2HG2 ILE 61 2.046 -5.615 -4.216 497 3HG2 ILE 61 3HG2 ILE 61 2.657 -4.227 -3.291 498 1HD1 ILE 61 1HD1 ILE 61 0.209 -3.546 -0.672 499 2HD1 ILE 61 2HD1 ILE 61 -1.237 -3.224 -1.634 500 3HD1 ILE 61 3HD1 ILE 61 -1.071 -4.783 -0.794 501 H GLU 62 HN GLU 62 2.607 -7.694 -0.271 502 HA GLU 62 HA GLU 62 4.808 -8.633 -1.831 503 1HB GLU 62 2HB GLU 62 3.909 -9.536 0.935 504 2HB GLU 62 3HB GLU 62 5.481 -9.837 0.202 505 1HG GLU 62 2HG GLU 62 5.967 -7.469 0.069 506 2HG GLU 62 3HG GLU 62 4.363 -7.039 0.655 507 H ALA 63 HN ALA 63 2.056 -10.314 -0.339 508 HA ALA 63 HA ALA 63 2.527 -12.925 -1.194 509 1HB ALA 63 1HB ALA 63 -0.073 -11.505 -0.527 510 2HB ALA 63 2HB ALA 63 0.150 -13.270 -0.576 511 3HB ALA 63 3HB ALA 63 1.023 -12.292 0.625 512 H MET 64 HN MET 64 1.345 -10.245 -3.188 513 HA MET 64 HA MET 64 -0.018 -11.855 -5.164 514 1HB MET 64 2HB MET 64 1.575 -9.281 -5.523 515 2HB MET 64 3HB MET 64 0.490 -9.998 -6.697 516 1HG MET 64 2HG MET 64 -0.365 -9.050 -3.955 517 2HG MET 64 3HG MET 64 -0.491 -8.076 -5.409 518 1HE MET 64 1HE MET 64 -3.357 -9.800 -7.372 519 2HE MET 64 2HE MET 64 -2.180 -8.466 -7.316 520 3HE MET 64 3HE MET 64 -1.629 -10.137 -7.597 521 H GLY 65 HN GLY 65 3.352 -11.147 -4.348 522 1HA GLY 65 1HA GLY 65 4.733 -13.195 -5.049 523 2HA GLY 65 2HA GLY 65 4.353 -12.702 -6.709 524 H PHE 66 HN PHE 66 4.413 -9.791 -5.980 525 HA PHE 66 HA PHE 66 7.201 -9.486 -6.691 526 1HB PHE 66 2HB PHE 66 4.986 -7.469 -6.200 527 2HB PHE 66 3HB PHE 66 6.610 -7.040 -6.701 528 HD1 PHE 66 1HD PHE 66 3.377 -7.804 -7.958 529 HD2 PHE 66 2HD PHE 66 7.567 -8.402 -8.798 530 HE1 PHE 66 1HE PHE 66 2.845 -8.286 -10.330 531 HE2 PHE 66 2HE PHE 66 7.029 -8.861 -11.164 532 HZ PHE 66 HZ PHE 66 4.666 -8.819 -11.938 533 HA PRO 67 HA PRO 67 8.258 -9.261 -2.307 534 1HB PRO 67 2HB PRO 67 10.922 -8.640 -2.480 535 2HB PRO 67 3HB PRO 67 10.274 -10.263 -2.864 536 1HG PRO 67 2HG PRO 67 10.924 -8.029 -4.804 537 2HG PRO 67 3HG PRO 67 11.406 -9.746 -4.913 538 1HD PRO 67 2HD PRO 67 9.257 -8.751 -6.243 539 2HD PRO 67 3HD PRO 67 9.206 -10.400 -5.542 540 H ALA 68 HN ALA 68 7.479 -7.485 -1.199 541 HA ALA 68 HA ALA 68 8.371 -4.754 -2.062 542 1HB ALA 68 1HB ALA 68 6.068 -5.466 -2.787 543 2HB ALA 68 2HB ALA 68 5.652 -5.631 -1.071 544 3HB ALA 68 3HB ALA 68 6.127 -4.051 -1.739 545 H PHE 69 HN PHE 69 7.316 -3.260 -0.051 546 HA PHE 69 HA PHE 69 7.911 -4.384 2.518 547 1HB PHE 69 2HB PHE 69 10.153 -3.396 1.027 548 2HB PHE 69 3HB PHE 69 9.808 -2.163 2.217 549 HD1 PHE 69 1HD PHE 69 9.753 -2.796 4.698 550 HD2 PHE 69 2HD PHE 69 11.129 -5.508 1.636 551 HE1 PHE 69 1HE PHE 69 10.862 -4.180 6.419 552 HE2 PHE 69 2HE PHE 69 12.304 -6.845 3.355 553 HZ PHE 69 HZ PHE 69 12.167 -6.193 5.753 554 H VAL 70 HN VAL 70 7.117 -3.239 4.181 555 HA VAL 70 HA VAL 70 5.791 -0.628 3.671 556 HB VAL 70 HB VAL 70 4.836 -2.899 4.918 557 1HG1 VAL 70 1HG1 VAL 70 4.543 -2.305 7.267 558 2HG1 VAL 70 2HG1 VAL 70 6.264 -2.529 6.893 559 3HG1 VAL 70 3HG1 VAL 70 5.581 -0.885 7.049 560 1HG2 VAL 70 1HG2 VAL 70 2.966 -1.522 5.587 561 2HG2 VAL 70 2HG2 VAL 70 3.945 -0.058 5.503 562 3HG2 VAL 70 3HG2 VAL 70 3.528 -0.932 4.016 563 H LYS 71 HN LYS 71 6.600 1.190 4.545 564 HA LYS 71 HA LYS 71 9.066 0.983 6.192 565 1HB LYS 71 2HB LYS 71 7.775 3.424 4.928 566 2HB LYS 71 3HB LYS 71 9.209 3.413 5.971 567 1HG LYS 71 2HG LYS 71 10.096 1.541 4.364 568 2HG LYS 71 3HG LYS 71 8.878 2.123 3.235 569 1HD LYS 71 2HD LYS 71 10.918 4.003 4.547 570 2HD LYS 71 3HD LYS 71 11.355 2.969 3.181 571 1HE LYS 71 2HE LYS 71 9.384 3.938 1.902 572 2HE LYS 71 3HE LYS 71 9.218 5.151 3.178 573 1HZ LYS 71 1HZ LYS 71 11.722 4.691 1.681 574 2HZ LYS 71 2HZ LYS 71 10.534 5.662 1.144 575 3HZ LYS 71 3HZ LYS 71 11.321 6.026 2.567 576 H LYS 72 HN LYS 72 6.239 3.236 6.724 577 HA LYS 72 HA LYS 72 6.016 2.177 9.414 578 1HB LYS 72 2HB LYS 72 8.082 3.812 9.272 579 2HB LYS 72 3HB LYS 72 6.858 5.092 9.243 580 1HG LYS 72 2HG LYS 72 5.949 4.232 11.406 581 2HG LYS 72 3HG LYS 72 7.077 2.876 11.328 582 1HD LYS 72 2HD LYS 72 8.857 4.972 11.147 583 2HD LYS 72 3HD LYS 72 7.521 5.773 11.981 584 1HE LYS 72 2HE LYS 72 8.993 4.941 13.675 585 2HE LYS 72 3HE LYS 72 7.533 3.945 13.705 586 1HZ LYS 72 1HZ LYS 72 10.108 3.236 12.428 587 2HZ LYS 72 2HZ LYS 72 9.526 2.612 13.834 588 3HZ LYS 72 3HZ LYS 72 8.768 2.285 12.415 589 H ILE 73 HN ILE 73 4.156 2.854 10.484 590 HA ILE 73 HA ILE 73 2.167 4.417 9.012 591 HB ILE 73 HB ILE 73 1.880 2.527 7.771 592 1HG1 ILE 73 2HG1 ILE 73 -0.057 1.245 8.664 593 2HG1 ILE 73 3HG1 ILE 73 0.024 2.149 10.163 594 1HG2 ILE 73 1HG2 ILE 73 3.493 1.103 8.655 595 2HG2 ILE 73 2HG2 ILE 73 2.611 0.895 10.181 596 3HG2 ILE 73 3HG2 ILE 73 1.980 0.203 8.662 597 1HD1 ILE 73 1HD1 ILE 73 -0.530 3.256 7.389 598 2HD1 ILE 73 2HD1 ILE 73 -1.617 3.205 8.786 599 3HD1 ILE 73 3HD1 ILE 73 -0.193 4.267 8.811 600 H GLU 74 HN GLU 74 1.271 5.614 10.689 601 HA GLU 74 HA GLU 74 0.163 4.336 13.020 602 1HB GLU 74 2HB GLU 74 1.615 5.900 14.545 603 2HB GLU 74 3HB GLU 74 2.437 4.497 13.857 604 1HG GLU 74 2HG GLU 74 3.338 6.038 12.000 605 2HG GLU 74 3HG GLU 74 2.685 7.382 12.936 606 H GLY 75 HN GLY 75 -1.528 5.740 13.889 607 1HA GLY 75 1HA GLY 75 -1.853 8.443 12.925 608 2HA GLY 75 2HA GLY 75 -2.605 7.283 11.831 609 H ARG 76 HN ARG 76 -2.563 8.242 15.227 610 HA ARG 76 HA ARG 76 -4.331 9.147 16.394 611 1HB ARG 76 2HB ARG 76 -5.910 8.736 14.369 612 2HB ARG 76 3HB ARG 76 -6.313 7.211 15.183 613 1HG ARG 76 2HG ARG 76 -6.519 9.477 17.028 614 2HG ARG 76 3HG ARG 76 -7.352 9.869 15.524 615 1HD ARG 76 2HD ARG 76 -8.947 8.877 17.012 616 2HD ARG 76 3HD ARG 76 -8.631 7.689 15.721 617 HE ARG 76 HE ARG 76 -6.756 7.242 17.752 618 1HH1 ARG 76 1HH2 ARG 76 -10.236 6.871 17.435 619 2HH1 ARG 76 2HH2 ARG 76 -10.391 5.769 18.773 620 1HH2 ARG 76 1HH1 ARG 76 -6.859 5.891 19.425 621 2HH2 ARG 76 2HH1 ARG 76 -8.356 5.189 20.002 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -10.409 11.575 9.719 2 2H GLY 1 2H GLY 1 -11.501 12.121 8.579 3 3H GLY 1 3H GLY 1 -11.532 10.551 9.132 4 1HA GLY 1 1HA GLY 1 -10.519 10.473 7.025 5 2HA GLY 1 2HA GLY 1 -9.397 11.762 7.529 6 H GLU 2 HN GLU 2 -8.228 9.458 6.684 7 HA GLU 2 HA GLU 2 -7.487 7.907 9.121 8 1HB GLU 2 2HB GLU 2 -8.130 7.146 6.266 9 2HB GLU 2 3HB GLU 2 -7.058 6.129 7.212 10 1HG GLU 2 2HG GLU 2 -8.729 5.599 8.795 11 2HG GLU 2 3HG GLU 2 -9.694 7.033 8.421 12 H VAL 3 HN VAL 3 -5.214 6.686 8.459 13 HA VAL 3 HA VAL 3 -3.433 9.044 8.415 14 HB VAL 3 HB VAL 3 -3.209 6.274 9.612 15 1HG1 VAL 3 1HG1 VAL 3 -1.290 8.653 9.765 16 2HG1 VAL 3 2HG1 VAL 3 -1.173 7.205 10.782 17 3HG1 VAL 3 3HG1 VAL 3 -0.946 7.066 9.040 18 1HG2 VAL 3 1HG2 VAL 3 -4.795 7.689 10.859 19 2HG2 VAL 3 2HG2 VAL 3 -3.319 7.441 11.794 20 3HG2 VAL 3 3HG2 VAL 3 -3.583 8.983 10.954 21 H VAL 4 HN VAL 4 -1.445 8.794 7.332 22 HA VAL 4 HA VAL 4 -1.731 7.405 4.773 23 HB VAL 4 HB VAL 4 -0.196 9.822 5.767 24 1HG1 VAL 4 1HG1 VAL 4 0.083 8.354 3.139 25 2HG1 VAL 4 2HG1 VAL 4 0.588 10.047 3.384 26 3HG1 VAL 4 3HG1 VAL 4 1.354 8.755 4.319 27 1HG2 VAL 4 1HG2 VAL 4 -2.603 10.123 5.175 28 2HG2 VAL 4 2HG2 VAL 4 -1.535 10.972 4.048 29 3HG2 VAL 4 3HG2 VAL 4 -2.282 9.435 3.569 30 H LEU 5 HN LEU 5 -0.525 5.724 4.279 31 HA LEU 5 HA LEU 5 1.999 5.011 5.728 32 1HB LEU 5 2HB LEU 5 0.257 3.385 5.758 33 2HB LEU 5 3HB LEU 5 0.096 3.410 3.998 34 HG LEU 5 HG LEU 5 2.885 2.961 4.838 35 1HD1 LEU 5 1HD1 LEU 5 2.825 0.920 5.876 36 2HD1 LEU 5 2HD1 LEU 5 1.713 1.978 6.766 37 3HD1 LEU 5 3HD1 LEU 5 1.083 0.728 5.645 38 1HD2 LEU 5 1HD2 LEU 5 2.747 1.084 3.336 39 2HD2 LEU 5 2HD2 LEU 5 0.988 1.269 3.200 40 3HD2 LEU 5 3HD2 LEU 5 2.060 2.533 2.558 41 H LYS 6 HN LYS 6 3.866 4.606 4.334 42 HA LYS 6 HA LYS 6 3.551 5.065 1.420 43 1HB LYS 6 2HB LYS 6 4.643 6.997 2.465 44 2HB LYS 6 3HB LYS 6 6.001 5.938 2.926 45 1HG LYS 6 2HG LYS 6 6.774 5.758 0.770 46 2HG LYS 6 3HG LYS 6 5.159 5.631 0.103 47 1HD LYS 6 2HD LYS 6 5.945 7.506 -0.799 48 2HD LYS 6 3HD LYS 6 4.819 8.107 0.391 49 1HE LYS 6 2HE LYS 6 7.844 7.909 0.896 50 2HE LYS 6 3HE LYS 6 7.085 9.341 0.194 51 1HZ LYS 6 1HZ LYS 6 6.462 8.171 2.816 52 2HZ LYS 6 2HZ LYS 6 7.393 9.507 2.559 53 3HZ LYS 6 3HZ LYS 6 5.784 9.540 2.195 54 H MET 7 HN MET 7 4.160 3.249 0.333 55 HA MET 7 HA MET 7 5.918 1.207 1.630 56 1HB MET 7 2HB MET 7 4.609 -0.466 0.284 57 2HB MET 7 3HB MET 7 3.698 0.260 1.599 58 1HG MET 7 2HG MET 7 2.426 1.611 0.107 59 2HG MET 7 3HG MET 7 3.589 1.392 -1.201 60 1HE MET 7 1HE MET 7 2.396 -1.760 0.858 61 2HE MET 7 2HE MET 7 1.086 -0.578 1.062 62 3HE MET 7 3HE MET 7 0.815 -2.043 0.092 63 H LYS 8 HN LYS 8 6.959 -0.168 0.096 64 HA LYS 8 HA LYS 8 7.695 1.026 -2.526 65 1HB LYS 8 2HB LYS 8 9.131 -0.644 -0.492 66 2HB LYS 8 3HB LYS 8 9.421 -1.068 -2.173 67 1HG LYS 8 2HG LYS 8 9.733 1.747 -1.100 68 2HG LYS 8 3HG LYS 8 11.039 0.559 -1.141 69 1HD LYS 8 2HD LYS 8 10.132 0.453 -3.774 70 2HD LYS 8 3HD LYS 8 9.731 2.112 -3.355 71 1HE LYS 8 2HE LYS 8 11.910 2.159 -4.327 72 2HE LYS 8 3HE LYS 8 12.127 2.443 -2.594 73 1HZ LYS 8 1HZ LYS 8 12.603 -0.067 -4.091 74 2HZ LYS 8 2HZ LYS 8 13.731 0.859 -3.421 75 3HZ LYS 8 3HZ LYS 8 12.694 0.010 -2.461 76 H VAL 9 HN VAL 9 7.040 -0.043 -4.271 77 HA VAL 9 HA VAL 9 5.856 -2.780 -4.083 78 HB VAL 9 HB VAL 9 5.125 -0.530 -6.012 79 1HG1 VAL 9 1HG1 VAL 9 3.209 -1.997 -6.549 80 2HG1 VAL 9 2HG1 VAL 9 4.730 -2.826 -6.900 81 3HG1 VAL 9 3HG1 VAL 9 3.819 -3.234 -5.430 82 1HG2 VAL 9 1HG2 VAL 9 2.971 -0.448 -4.734 83 2HG2 VAL 9 2HG2 VAL 9 3.693 -1.512 -3.508 84 3HG2 VAL 9 3HG2 VAL 9 4.347 0.119 -3.785 85 H GLU 10 HN GLU 10 8.195 -3.309 -4.215 86 HA GLU 10 HA GLU 10 9.647 -2.713 -6.686 87 1HB GLU 10 2HB GLU 10 10.176 -4.338 -4.172 88 2HB GLU 10 3HB GLU 10 11.261 -4.455 -5.549 89 1HG GLU 10 2HG GLU 10 10.516 -1.746 -4.422 90 2HG GLU 10 3HG GLU 10 11.795 -2.736 -3.693 91 H GLY 11 HN GLY 11 10.722 -4.662 -7.740 92 1HA GLY 11 1HA GLY 11 10.700 -6.731 -8.738 93 2HA GLY 11 2HA GLY 11 9.348 -7.199 -7.706 94 H MET 12 HN MET 12 7.340 -5.525 -8.408 95 HA MET 12 HA MET 12 6.046 -6.530 -10.583 96 1HB MET 12 2HB MET 12 5.850 -4.101 -8.921 97 2HB MET 12 3HB MET 12 5.325 -3.788 -10.570 98 1HG MET 12 2HG MET 12 4.251 -6.001 -8.804 99 2HG MET 12 3HG MET 12 3.484 -4.454 -9.157 100 1HE MET 12 1HE MET 12 1.146 -5.426 -10.136 101 2HE MET 12 2HE MET 12 1.145 -6.942 -11.059 102 3HE MET 12 3HE MET 12 1.806 -6.908 -9.406 103 H THR 13 HN THR 13 7.955 -3.564 -10.674 104 HA THR 13 HA THR 13 8.840 -2.327 -12.304 105 HB THR 13 HB THR 13 10.439 -4.164 -12.103 106 HG1 THR 13 1HG THR 13 11.581 -3.447 -13.867 107 1HG2 THR 13 1HG2 THR 13 9.098 -5.157 -14.642 108 2HG2 THR 13 2HG2 THR 13 10.729 -5.637 -14.120 109 3HG2 THR 13 3HG2 THR 13 9.332 -6.043 -13.122 110 H CYS 14 HN CYS 14 9.267 -2.502 -14.920 111 HA CYS 14 HA CYS 14 8.420 -1.934 -16.926 112 1HB CYS 14 2HB CYS 14 7.492 -4.325 -16.748 113 2HB CYS 14 3HB CYS 14 5.938 -3.561 -16.336 114 HG CYS 14 HG CYS 14 5.805 -4.213 -18.798 115 H HIS 15 HN HIS 15 6.805 -0.577 -18.098 116 HA HIS 15 HA HIS 15 6.073 1.506 -16.248 117 1HB HIS 15 2HB HIS 15 7.054 1.433 -18.816 118 2HB HIS 15 3HB HIS 15 5.388 1.891 -19.116 119 HD1 HIS 15 1HD HIS 15 5.042 4.499 -18.841 120 HD2 HIS 15 2HD HIS 15 8.382 2.934 -16.809 121 HE1 HIS 15 1HE HIS 15 6.334 6.496 -17.893 122 H SER 16 HN SER 16 4.451 -0.686 -15.695 123 HA SER 16 HA SER 16 1.884 0.485 -15.628 124 1HB SER 16 2HB SER 16 1.748 -0.176 -17.984 125 2HB SER 16 3HB SER 16 2.156 -1.852 -17.533 126 HG SER 16 HG SER 16 -0.103 -1.588 -17.734 127 H CYS 17 HN CYS 17 1.695 -0.072 -13.540 128 HA CYS 17 HA CYS 17 1.053 -2.675 -12.564 129 1HB CYS 17 2HB CYS 17 3.043 -3.047 -11.125 130 2HB CYS 17 3HB CYS 17 3.377 -3.259 -12.836 131 HG CYS 17 HG CYS 17 5.437 -2.158 -12.305 132 H THR 18 HN THR 18 -0.279 -0.389 -12.409 133 HA THR 18 HA THR 18 0.092 0.483 -9.577 134 HB THR 18 HB THR 18 -0.560 2.774 -10.340 135 HG1 THR 18 1HG THR 18 -0.619 3.171 -12.590 136 1HG2 THR 18 1HG2 THR 18 1.740 1.854 -12.118 137 2HG2 THR 18 2HG2 THR 18 1.516 3.432 -11.337 138 3HG2 THR 18 3HG2 THR 18 1.915 2.002 -10.368 139 H SER 19 HN SER 19 -2.285 1.171 -12.121 140 HA SER 19 HA SER 19 -4.413 1.248 -10.455 141 1HB SER 19 2HB SER 19 -4.481 1.935 -12.842 142 2HB SER 19 3HB SER 19 -4.521 0.226 -13.339 143 HG SER 19 HG SER 19 -6.610 1.286 -13.234 144 H THR 20 HN THR 20 -3.357 -1.775 -11.934 145 HA THR 20 HA THR 20 -5.219 -3.527 -10.815 146 HB THR 20 HB THR 20 -2.287 -3.633 -11.569 147 HG1 THR 20 1HG THR 20 -4.553 -5.180 -12.281 148 1HG2 THR 20 1HG2 THR 20 -3.654 -5.812 -9.979 149 2HG2 THR 20 2HG2 THR 20 -2.236 -6.069 -11.033 150 3HG2 THR 20 3HG2 THR 20 -2.115 -4.977 -9.648 151 H ILE 21 HN ILE 21 -2.242 -2.283 -9.207 152 HA ILE 21 HA ILE 21 -2.766 -3.567 -6.691 153 HB ILE 21 HB ILE 21 -0.952 -1.370 -7.734 154 1HG1 ILE 21 2HG1 ILE 21 0.317 -3.547 -6.350 155 2HG1 ILE 21 3HG1 ILE 21 -0.798 -4.233 -7.525 156 1HG2 ILE 21 1HG2 ILE 21 -1.059 -2.191 -4.844 157 2HG2 ILE 21 2HG2 ILE 21 0.163 -1.167 -5.669 158 3HG2 ILE 21 3HG2 ILE 21 -1.503 -0.613 -5.532 159 1HD1 ILE 21 1HD1 ILE 21 1.308 -2.130 -8.127 160 2HD1 ILE 21 2HD1 ILE 21 1.425 -3.862 -8.478 161 3HD1 ILE 21 3HD1 ILE 21 0.201 -2.879 -9.312 162 H GLU 22 HN GLU 22 -3.461 -0.275 -8.017 163 HA GLU 22 HA GLU 22 -4.404 0.808 -5.650 164 1HB GLU 22 2HB GLU 22 -5.314 1.497 -8.476 165 2HB GLU 22 3HB GLU 22 -5.607 2.453 -7.049 166 1HG GLU 22 2HG GLU 22 -3.010 2.357 -6.705 167 2HG GLU 22 3HG GLU 22 -2.953 1.897 -8.399 168 H GLY 23 HN GLY 23 -6.335 -0.300 -8.269 169 1HA GLY 23 1HA GLY 23 -8.912 -0.545 -7.258 170 2HA GLY 23 2HA GLY 23 -8.233 -1.625 -8.488 171 H LYS 24 HN LYS 24 -6.399 -3.191 -7.218 172 HA LYS 24 HA LYS 24 -8.035 -5.032 -5.853 173 1HB LYS 24 2HB LYS 24 -5.919 -5.597 -7.055 174 2HB LYS 24 3HB LYS 24 -5.010 -4.757 -5.804 175 1HG LYS 24 2HG LYS 24 -4.743 -6.933 -5.234 176 2HG LYS 24 3HG LYS 24 -6.013 -6.478 -4.119 177 1HD LYS 24 2HD LYS 24 -6.675 -7.738 -6.820 178 2HD LYS 24 3HD LYS 24 -6.053 -8.735 -5.501 179 1HE LYS 24 2HE LYS 24 -7.909 -8.065 -4.028 180 2HE LYS 24 3HE LYS 24 -8.594 -7.050 -5.301 181 1HZ LYS 24 1HZ LYS 24 -8.234 -9.964 -5.475 182 2HZ LYS 24 2HZ LYS 24 -9.651 -9.180 -5.205 183 3HZ LYS 24 3HZ LYS 24 -8.881 -9.005 -6.648 184 H ILE 25 HN ILE 25 -5.495 -2.823 -4.530 185 HA ILE 25 HA ILE 25 -5.907 -3.490 -1.833 186 HB ILE 25 HB ILE 25 -4.669 -1.185 -3.317 187 1HG1 ILE 25 2HG1 ILE 25 -3.434 -3.280 -3.437 188 2HG1 ILE 25 3HG1 ILE 25 -2.568 -1.993 -2.588 189 1HG2 ILE 25 1HG2 ILE 25 -3.647 -0.513 -1.107 190 2HG2 ILE 25 2HG2 ILE 25 -5.276 0.016 -1.552 191 3HG2 ILE 25 3HG2 ILE 25 -5.049 -1.316 -0.376 192 1HD1 ILE 25 1HD1 ILE 25 -4.009 -4.371 -1.397 193 2HD1 ILE 25 2HD1 ILE 25 -2.287 -3.982 -1.295 194 3HD1 ILE 25 3HD1 ILE 25 -3.461 -2.977 -0.429 195 H GLY 26 HN GLY 26 -7.573 -1.206 -3.946 196 1HA GLY 26 1HA GLY 26 -9.080 0.217 -2.060 197 2HA GLY 26 2HA GLY 26 -9.585 -0.191 -3.707 198 H LYS 27 HN LYS 27 -9.262 -3.272 -2.652 199 HA LYS 27 HA LYS 27 -12.032 -3.380 -1.618 200 1HB LYS 27 2HB LYS 27 -10.255 -5.209 -3.143 201 2HB LYS 27 3HB LYS 27 -11.288 -5.951 -1.941 202 1HG LYS 27 2HG LYS 27 -12.340 -3.958 -3.987 203 2HG LYS 27 3HG LYS 27 -12.192 -5.687 -4.305 204 1HD LYS 27 2HD LYS 27 -13.658 -6.171 -2.297 205 2HD LYS 27 3HD LYS 27 -13.859 -4.442 -2.065 206 1HE LYS 27 2HE LYS 27 -15.809 -5.127 -3.182 207 2HE LYS 27 3HE LYS 27 -14.843 -4.263 -4.384 208 1HZ LYS 27 1HZ LYS 27 -15.052 -7.196 -4.099 209 2HZ LYS 27 2HZ LYS 27 -15.784 -6.285 -5.253 210 3HZ LYS 27 3HZ LYS 27 -14.147 -6.418 -5.237 211 H LEU 28 HN LEU 28 -8.742 -3.277 -0.389 212 HA LEU 28 HA LEU 28 -8.996 -5.249 1.544 213 1HB LEU 28 2HB LEU 28 -7.390 -2.697 1.496 214 2HB LEU 28 3HB LEU 28 -7.225 -3.945 2.709 215 HG LEU 28 HG LEU 28 -5.778 -3.724 0.331 216 1HD1 LEU 28 1HD1 LEU 28 -6.137 -5.992 2.281 217 2HD1 LEU 28 2HD1 LEU 28 -4.723 -5.761 1.204 218 3HD1 LEU 28 3HD1 LEU 28 -5.064 -4.583 2.493 219 1HD2 LEU 28 1HD2 LEU 28 -7.537 -4.953 -0.940 220 2HD2 LEU 28 2HD2 LEU 28 -6.095 -5.948 -0.723 221 3HD2 LEU 28 3HD2 LEU 28 -7.513 -6.231 0.303 222 H GLN 29 HN GLN 29 -9.791 -5.306 3.435 223 HA GLN 29 HA GLN 29 -11.672 -3.458 4.517 224 1HB GLN 29 2HB GLN 29 -11.721 -4.915 6.444 225 2HB GLN 29 3HB GLN 29 -11.736 -5.825 4.929 226 1HG GLN 29 2HG GLN 29 -9.122 -5.935 5.279 227 2HG GLN 29 3HG GLN 29 -9.516 -5.482 6.937 228 1HE2 GLN 29 2HE2 GLN 29 -8.386 -7.595 7.382 229 2HE2 GLN 29 1HE2 GLN 29 -9.342 -9.061 7.272 230 H GLY 30 HN GLY 30 -11.038 -1.397 4.986 231 1HA GLY 30 1HA GLY 30 -10.243 -0.158 6.948 232 2HA GLY 30 2HA GLY 30 -8.709 -1.039 6.860 233 H VAL 31 HN VAL 31 -9.170 -0.588 3.637 234 HA VAL 31 HA VAL 31 -7.434 1.781 3.777 235 HB VAL 31 HB VAL 31 -8.189 -0.366 1.765 236 1HG1 VAL 31 1HG1 VAL 31 -6.672 0.748 0.143 237 2HG1 VAL 31 2HG1 VAL 31 -8.191 1.599 0.429 238 3HG1 VAL 31 3HG1 VAL 31 -6.683 2.199 1.178 239 1HG2 VAL 31 1HG2 VAL 31 -6.396 -0.824 3.456 240 2HG2 VAL 31 2HG2 VAL 31 -5.768 -0.809 1.801 241 3HG2 VAL 31 3HG2 VAL 31 -5.497 0.588 2.858 242 H GLN 32 HN GLN 32 -8.070 3.735 3.379 243 HA GLN 32 HA GLN 32 -10.754 4.306 2.367 244 1HB GLN 32 2HB GLN 32 -8.769 5.663 3.919 245 2HB GLN 32 3HB GLN 32 -9.342 6.718 2.604 246 1HG GLN 32 2HG GLN 32 -11.124 5.190 4.530 247 2HG GLN 32 3HG GLN 32 -10.550 6.836 4.796 248 1HE2 GLN 32 2HE2 GLN 32 -12.962 4.928 3.212 249 2HE2 GLN 32 1HE2 GLN 32 -13.708 6.230 2.301 250 H ARG 33 HN ARG 33 -7.308 4.955 1.316 251 HA ARG 33 HA ARG 33 -8.125 4.637 -1.459 252 1HB ARG 33 2HB ARG 33 -8.028 7.313 -0.193 253 2HB ARG 33 3HB ARG 33 -6.943 7.207 -1.570 254 1HG ARG 33 2HG ARG 33 -8.627 6.971 -3.113 255 2HG ARG 33 3HG ARG 33 -9.695 6.105 -2.012 256 1HD ARG 33 2HD ARG 33 -10.135 8.160 -0.746 257 2HD ARG 33 3HD ARG 33 -9.180 9.096 -1.931 258 HE ARG 33 HE ARG 33 -11.041 7.622 -3.406 259 1HH1 ARG 33 1HH2 ARG 33 -11.202 10.076 -0.879 260 2HH1 ARG 33 2HH2 ARG 33 -12.756 10.693 -1.345 261 1HH2 ARG 33 1HH1 ARG 33 -13.126 8.386 -4.038 262 2HH2 ARG 33 2HH1 ARG 33 -13.875 9.698 -3.191 263 H ILE 34 HN ILE 34 -6.280 5.122 -2.961 264 HA ILE 34 HA ILE 34 -3.633 4.650 -1.798 265 HB ILE 34 HB ILE 34 -4.428 2.438 -2.027 266 1HG1 ILE 34 2HG1 ILE 34 -2.917 2.902 -4.607 267 2HG1 ILE 34 3HG1 ILE 34 -2.137 3.200 -3.067 268 1HG2 ILE 34 1HG2 ILE 34 -6.402 2.863 -3.572 269 2HG2 ILE 34 2HG2 ILE 34 -5.267 2.882 -4.930 270 3HG2 ILE 34 3HG2 ILE 34 -5.463 1.438 -3.935 271 1HD1 ILE 34 1HD1 ILE 34 -3.213 0.498 -3.957 272 2HD1 ILE 34 2HD1 ILE 34 -1.525 0.997 -3.779 273 3HD1 ILE 34 3HD1 ILE 34 -2.570 0.863 -2.368 274 H LYS 35 HN LYS 35 -2.003 5.530 -2.980 275 HA LYS 35 HA LYS 35 -2.499 6.378 -5.796 276 1HB LYS 35 2HB LYS 35 -1.081 7.941 -3.574 277 2HB LYS 35 3HB LYS 35 -0.854 8.220 -5.298 278 1HG LYS 35 2HG LYS 35 -2.341 9.847 -4.756 279 2HG LYS 35 3HG LYS 35 -3.382 8.607 -5.469 280 1HD LYS 35 2HD LYS 35 -4.143 7.930 -3.241 281 2HD LYS 35 3HD LYS 35 -2.934 8.971 -2.462 282 1HE LYS 35 2HE LYS 35 -4.039 10.979 -3.413 283 2HE LYS 35 3HE LYS 35 -5.201 9.952 -4.273 284 1HZ LYS 35 1HZ LYS 35 -4.935 10.130 -1.342 285 2HZ LYS 35 2HZ LYS 35 -6.102 10.852 -2.248 286 3HZ LYS 35 3HZ LYS 35 -6.028 9.210 -2.163 287 H VAL 36 HN VAL 36 -1.232 4.888 -6.884 288 HA VAL 36 HA VAL 36 1.459 4.168 -5.764 289 HB VAL 36 HB VAL 36 -0.143 2.911 -8.006 290 1HG1 VAL 36 1HG1 VAL 36 2.329 2.657 -8.315 291 2HG1 VAL 36 2HG1 VAL 36 2.478 2.059 -6.667 292 3HG1 VAL 36 3HG1 VAL 36 1.588 1.111 -7.866 293 1HG2 VAL 36 1HG2 VAL 36 -0.989 2.540 -5.606 294 2HG2 VAL 36 2HG2 VAL 36 -0.648 1.126 -6.612 295 3HG2 VAL 36 3HG2 VAL 36 0.494 1.614 -5.343 296 H SER 37 HN SER 37 3.048 5.700 -6.429 297 HA SER 37 HA SER 37 2.961 6.772 -9.118 298 1HB SER 37 2HB SER 37 4.726 6.967 -6.666 299 2HB SER 37 3HB SER 37 5.150 7.591 -8.228 300 HG SER 37 HG SER 37 4.060 9.195 -6.999 301 H LEU 38 HN LEU 38 3.515 5.338 -10.683 302 HA LEU 38 HA LEU 38 5.590 3.325 -10.404 303 1HB LEU 38 2HB LEU 38 3.785 4.174 -12.466 304 2HB LEU 38 3HB LEU 38 5.403 4.400 -13.108 305 HG LEU 38 HG LEU 38 4.307 1.791 -11.924 306 1HD1 LEU 38 1HD1 LEU 38 4.787 2.621 -14.778 307 2HD1 LEU 38 2HD1 LEU 38 4.312 1.013 -14.158 308 3HD1 LEU 38 3HD1 LEU 38 3.211 2.392 -13.992 309 1HD2 LEU 38 1HD2 LEU 38 6.818 1.938 -11.693 310 2HD2 LEU 38 2HD2 LEU 38 6.334 0.754 -12.902 311 3HD2 LEU 38 3HD2 LEU 38 6.923 2.332 -13.428 312 H ASP 39 HN ASP 39 7.525 3.922 -12.193 313 HA ASP 39 HA ASP 39 9.574 4.763 -12.349 314 1HB ASP 39 2HB ASP 39 8.325 7.348 -11.356 315 2HB ASP 39 3HB ASP 39 9.981 7.148 -11.880 316 H ASN 40 HN ASN 40 8.155 6.364 -9.546 317 HA ASN 40 HA ASN 40 10.499 6.314 -8.073 318 1HB ASN 40 2HB ASN 40 8.146 7.664 -7.859 319 2HB ASN 40 3HB ASN 40 7.898 6.496 -6.565 320 1HD2 ASN 40 2HD2 ASN 40 9.619 9.349 -7.619 321 2HD2 ASN 40 1HD2 ASN 40 10.492 9.613 -6.120 322 H GLN 41 HN GLN 41 8.041 3.974 -8.507 323 HA GLN 41 HA GLN 41 7.601 1.868 -7.835 324 1HB GLN 41 2HB GLN 41 10.150 1.774 -6.195 325 2HB GLN 41 3HB GLN 41 9.253 0.455 -6.962 326 1HG GLN 41 2HG GLN 41 9.812 1.570 -9.181 327 2HG GLN 41 3HG GLN 41 10.837 2.674 -8.250 328 1HE2 GLN 41 2HE2 GLN 41 10.243 -0.877 -8.451 329 2HE2 GLN 41 1HE2 GLN 41 11.868 -1.345 -8.001 330 H GLU 42 HN GLU 42 7.253 4.313 -6.199 331 HA GLU 42 HA GLU 42 6.814 3.130 -3.493 332 1HB GLU 42 2HB GLU 42 8.679 4.919 -3.955 333 2HB GLU 42 3HB GLU 42 7.347 6.082 -3.898 334 1HG GLU 42 2HG GLU 42 6.791 5.333 -1.635 335 2HG GLU 42 3HG GLU 42 7.957 4.006 -1.734 336 H ALA 43 HN ALA 43 4.837 3.344 -2.533 337 HA ALA 43 HA ALA 43 2.734 4.921 -3.978 338 1HB ALA 43 1HB ALA 43 2.325 2.161 -2.760 339 2HB ALA 43 2HB ALA 43 1.150 3.139 -3.636 340 3HB ALA 43 3HB ALA 43 2.567 2.461 -4.481 341 H THR 44 HN THR 44 1.007 5.682 -2.564 342 HA THR 44 HA THR 44 1.592 5.498 0.301 343 HB THR 44 HB THR 44 1.917 7.927 -1.233 344 HG1 THR 44 1HG THR 44 2.056 7.158 1.495 345 1HG2 THR 44 1HG2 THR 44 -0.253 8.027 0.895 346 2HG2 THR 44 2HG2 THR 44 0.578 9.435 0.200 347 3HG2 THR 44 3HG2 THR 44 -0.446 8.421 -0.832 348 H ILE 45 HN ILE 45 -0.084 5.016 1.490 349 HA ILE 45 HA ILE 45 -2.699 4.818 0.114 350 HB ILE 45 HB ILE 45 -1.166 2.810 1.776 351 1HG1 ILE 45 2HG1 ILE 45 -2.378 2.599 -0.968 352 2HG1 ILE 45 3HG1 ILE 45 -0.760 3.245 -0.821 353 1HG2 ILE 45 1HG2 ILE 45 -3.530 2.598 2.437 354 2HG2 ILE 45 2HG2 ILE 45 -4.051 2.711 0.744 355 3HG2 ILE 45 3HG2 ILE 45 -3.174 1.302 1.302 356 1HD1 ILE 45 1HD1 ILE 45 -1.517 0.452 -0.088 357 2HD1 ILE 45 2HD1 ILE 45 -0.466 1.033 -1.394 358 3HD1 ILE 45 3HD1 ILE 45 0.034 1.285 0.284 359 H VAL 46 HN VAL 46 -4.539 4.695 1.785 360 HA VAL 46 HA VAL 46 -3.814 6.102 4.257 361 HB VAL 46 HB VAL 46 -4.449 7.730 2.611 362 1HG1 VAL 46 1HG1 VAL 46 -6.015 6.609 1.388 363 2HG1 VAL 46 2HG1 VAL 46 -7.072 6.419 2.809 364 3HG1 VAL 46 3HG1 VAL 46 -6.810 8.034 2.102 365 1HG2 VAL 46 1HG2 VAL 46 -6.061 8.919 4.173 366 2HG2 VAL 46 2HG2 VAL 46 -6.147 7.419 5.119 367 3HG2 VAL 46 3HG2 VAL 46 -4.610 8.298 4.972 368 H TYR 47 HN TYR 47 -4.537 5.068 6.013 369 HA TYR 47 HA TYR 47 -7.055 3.622 6.056 370 1HB TYR 47 2HB TYR 47 -6.175 1.406 6.447 371 2HB TYR 47 3HB TYR 47 -5.506 1.980 4.931 372 HD1 TYR 47 1HD TYR 47 -3.099 2.299 4.685 373 HD2 TYR 47 2HD TYR 47 -4.807 1.113 8.448 374 HE1 TYR 47 1HE TYR 47 -0.913 1.472 5.446 375 HE2 TYR 47 2HE TYR 47 -2.569 0.627 9.323 376 HH TYR 47 HH TYR 47 -0.089 -0.255 7.278 377 H GLN 48 HN GLN 48 -7.156 2.348 8.373 378 HA GLN 48 HA GLN 48 -5.195 3.388 10.234 379 1HB GLN 48 2HB GLN 48 -8.219 3.807 10.307 380 2HB GLN 48 3HB GLN 48 -7.457 3.329 11.798 381 1HG GLN 48 2HG GLN 48 -5.719 5.252 11.153 382 2HG GLN 48 3HG GLN 48 -7.039 5.855 10.180 383 1HE2 GLN 48 2HE2 GLN 48 -7.974 7.593 11.342 384 2HE2 GLN 48 1HE2 GLN 48 -8.308 7.515 13.063 385 HA PRO 49 HA PRO 49 -4.842 -0.575 11.888 386 1HB PRO 49 2HB PRO 49 -3.923 -0.116 14.401 387 2HB PRO 49 3HB PRO 49 -2.993 0.366 12.960 388 1HG PRO 49 2HG PRO 49 -4.840 2.122 14.603 389 2HG PRO 49 3HG PRO 49 -3.146 2.455 14.138 390 1HD PRO 49 2HD PRO 49 -5.230 3.426 12.709 391 2HD PRO 49 3HD PRO 49 -3.745 2.851 11.894 392 H HIS 50 HN HIS 50 -7.236 -0.629 11.606 393 HA HIS 50 HA HIS 50 -8.398 -1.617 14.165 394 1HB HIS 50 2HB HIS 50 -9.539 0.580 12.460 395 2HB HIS 50 3HB HIS 50 -10.654 -0.716 12.891 396 HD1 HIS 50 1HD HIS 50 -7.977 0.756 15.257 397 HD2 HIS 50 2HD HIS 50 -12.124 0.230 14.774 398 HE1 HIS 50 1HE HIS 50 -9.083 1.536 17.438 399 H LEU 51 HN LEU 51 -8.990 -1.266 10.646 400 HA LEU 51 HA LEU 51 -10.139 -3.984 10.597 401 1HB LEU 51 2HB LEU 51 -9.876 -1.750 8.612 402 2HB LEU 51 3HB LEU 51 -10.500 -3.344 8.151 403 HG LEU 51 HG LEU 51 -11.715 -1.785 10.448 404 1HD1 LEU 51 1HD1 LEU 51 -13.433 -0.961 8.841 405 2HD1 LEU 51 2HD1 LEU 51 -11.833 -0.265 8.571 406 3HD1 LEU 51 3HD1 LEU 51 -12.432 -1.558 7.500 407 1HD2 LEU 51 1HD2 LEU 51 -12.842 -3.894 8.545 408 2HD2 LEU 51 2HD2 LEU 51 -12.341 -4.193 10.221 409 3HD2 LEU 51 3HD2 LEU 51 -13.714 -3.130 9.888 410 H ILE 52 HN ILE 52 -7.021 -2.391 9.776 411 HA ILE 52 HA ILE 52 -6.168 -4.912 8.521 412 HB ILE 52 HB ILE 52 -6.534 -2.968 6.999 413 1HG1 ILE 52 2HG1 ILE 52 -4.527 -3.291 5.735 414 2HG1 ILE 52 3HG1 ILE 52 -3.673 -4.018 7.111 415 1HG2 ILE 52 1HG2 ILE 52 -4.937 -1.191 6.963 416 2HG2 ILE 52 2HG2 ILE 52 -5.720 -1.260 8.561 417 3HG2 ILE 52 3HG2 ILE 52 -4.069 -1.886 8.353 418 1HD1 ILE 52 1HD1 ILE 52 -6.279 -5.146 6.022 419 2HD1 ILE 52 2HD1 ILE 52 -4.708 -5.591 5.318 420 3HD1 ILE 52 3HD1 ILE 52 -5.053 -5.968 7.017 421 H SER 53 HN SER 53 -4.167 -5.738 9.130 422 HA SER 53 HA SER 53 -3.339 -4.972 11.769 423 1HB SER 53 2HB SER 53 -2.148 -6.958 9.932 424 2HB SER 53 3HB SER 53 -1.987 -6.909 11.691 425 HG SER 53 HG SER 53 -4.115 -7.873 10.116 426 H VAL 54 HN VAL 54 -2.840 -3.053 9.744 427 HA VAL 54 HA VAL 54 -1.466 -1.381 9.260 428 HB VAL 54 HB VAL 54 -0.585 -2.284 11.793 429 1HG1 VAL 54 1HG1 VAL 54 1.747 -1.472 11.819 430 2HG1 VAL 54 2HG1 VAL 54 1.573 -2.998 10.957 431 3HG1 VAL 54 3HG1 VAL 54 1.743 -1.474 10.038 432 1HG2 VAL 54 1HG2 VAL 54 -0.045 0.335 10.380 433 2HG2 VAL 54 2HG2 VAL 54 -1.550 -0.107 11.223 434 3HG2 VAL 54 3HG2 VAL 54 -0.038 0.042 12.131 435 H GLU 55 HN GLU 55 0.523 -4.202 9.610 436 HA GLU 55 HA GLU 55 2.236 -3.605 7.329 437 1HB GLU 55 2HB GLU 55 2.984 -4.530 9.504 438 2HB GLU 55 3HB GLU 55 1.980 -5.946 9.146 439 1HG GLU 55 2HG GLU 55 4.335 -6.420 8.660 440 2HG GLU 55 3HG GLU 55 3.400 -6.391 7.147 441 H GLU 56 HN GLU 56 -0.442 -5.783 8.201 442 HA GLU 56 HA GLU 56 -0.375 -7.780 6.332 443 1HB GLU 56 2HB GLU 56 -2.512 -6.377 7.822 444 2HB GLU 56 3HB GLU 56 -3.038 -6.847 6.223 445 1HG GLU 56 2HG GLU 56 -2.172 -9.182 6.645 446 2HG GLU 56 3HG GLU 56 -2.114 -8.733 8.367 447 H MET 57 HN MET 57 -1.872 -4.607 5.854 448 HA MET 57 HA MET 57 -2.801 -4.550 3.384 449 1HB MET 57 2HB MET 57 -2.289 -2.762 5.386 450 2HB MET 57 3HB MET 57 -1.003 -2.309 4.316 451 1HG MET 57 2HG MET 57 -3.909 -2.664 3.460 452 2HG MET 57 3HG MET 57 -3.370 -1.214 4.283 453 1HE MET 57 1HE MET 57 -0.989 0.570 2.075 454 2HE MET 57 2HE MET 57 -1.602 0.222 3.679 455 3HE MET 57 3HE MET 57 -0.340 -0.808 2.956 456 H LYS 58 HN LYS 58 0.659 -4.137 4.165 457 HA LYS 58 HA LYS 58 1.503 -4.039 1.366 458 1HB LYS 58 2HB LYS 58 2.611 -2.707 3.009 459 2HB LYS 58 3HB LYS 58 2.942 -4.089 4.027 460 1HG LYS 58 2HG LYS 58 3.986 -4.333 1.218 461 2HG LYS 58 3HG LYS 58 4.615 -2.962 2.098 462 1HD LYS 58 2HD LYS 58 6.064 -4.244 3.183 463 2HD LYS 58 3HD LYS 58 4.793 -5.083 3.990 464 1HE LYS 58 2HE LYS 58 4.793 -6.873 2.561 465 2HE LYS 58 3HE LYS 58 5.486 -6.002 1.201 466 1HZ LYS 58 1HZ LYS 58 7.193 -6.322 3.534 467 2HZ LYS 58 2HZ LYS 58 6.919 -7.635 2.568 468 3HZ LYS 58 3HZ LYS 58 7.560 -6.313 1.918 469 H LYS 59 HN LYS 59 1.373 -6.501 3.997 470 HA LYS 59 HA LYS 59 2.910 -8.434 2.582 471 1HB LYS 59 2HB LYS 59 0.689 -9.055 4.500 472 2HB LYS 59 3HB LYS 59 2.021 -10.078 3.979 473 1HG LYS 59 2HG LYS 59 2.091 -7.703 5.810 474 2HG LYS 59 3HG LYS 59 2.562 -9.368 6.104 475 1HD LYS 59 2HD LYS 59 4.450 -8.702 4.203 476 2HD LYS 59 3HD LYS 59 4.110 -7.095 4.862 477 1HE LYS 59 2HE LYS 59 4.320 -8.395 7.220 478 2HE LYS 59 3HE LYS 59 5.161 -9.610 6.266 479 1HZ LYS 59 1HZ LYS 59 5.899 -6.757 6.384 480 2HZ LYS 59 2HZ LYS 59 6.551 -7.897 7.351 481 3HZ LYS 59 3HZ LYS 59 6.801 -7.978 5.726 482 H GLN 60 HN GLN 60 -0.452 -7.420 2.234 483 HA GLN 60 HA GLN 60 -1.403 -9.666 0.742 484 1HB GLN 60 2HB GLN 60 -2.286 -6.774 0.613 485 2HB GLN 60 3HB GLN 60 -3.176 -8.190 0.090 486 1HG GLN 60 2HG GLN 60 -2.362 -8.604 2.815 487 2HG GLN 60 3HG GLN 60 -3.002 -6.962 2.723 488 1HE2 GLN 60 2HE2 GLN 60 -4.481 -8.710 4.478 489 2HE2 GLN 60 1HE2 GLN 60 -5.913 -9.118 3.600 490 H ILE 61 HN ILE 61 0.158 -6.631 -0.040 491 HA ILE 61 HA ILE 61 0.307 -6.953 -2.909 492 HB ILE 61 HB ILE 61 2.122 -5.404 -1.091 493 1HG1 ILE 61 2HG1 ILE 61 -0.571 -5.031 -2.332 494 2HG1 ILE 61 3HG1 ILE 61 0.109 -4.365 -0.838 495 1HG2 ILE 61 1HG2 ILE 61 2.857 -4.301 -3.200 496 2HG2 ILE 61 2HG2 ILE 61 3.202 -6.010 -3.285 497 3HG2 ILE 61 3HG2 ILE 61 1.796 -5.379 -4.140 498 1HD1 ILE 61 1HD1 ILE 61 0.555 -3.491 -3.697 499 2HD1 ILE 61 2HD1 ILE 61 -0.291 -2.588 -2.419 500 3HD1 ILE 61 3HD1 ILE 61 1.468 -2.820 -2.315 501 H GLU 62 HN GLU 62 2.574 -8.115 -0.298 502 HA GLU 62 HA GLU 62 4.649 -9.058 -1.921 503 1HB GLU 62 2HB GLU 62 3.628 -10.450 0.522 504 2HB GLU 62 3HB GLU 62 5.128 -10.765 -0.353 505 1HG GLU 62 2HG GLU 62 4.876 -7.893 0.086 506 2HG GLU 62 3HG GLU 62 4.628 -8.811 1.561 507 H ALA 63 HN ALA 63 1.668 -10.556 -0.753 508 HA ALA 63 HA ALA 63 1.739 -13.067 -2.001 509 1HB ALA 63 1HB ALA 63 -0.537 -13.281 -1.208 510 2HB ALA 63 2HB ALA 63 0.415 -12.390 0.006 511 3HB ALA 63 3HB ALA 63 -0.699 -11.522 -1.063 512 H MET 64 HN MET 64 0.862 -9.990 -3.499 513 HA MET 64 HA MET 64 -0.713 -11.110 -5.657 514 1HB MET 64 2HB MET 64 1.084 -8.651 -5.587 515 2HB MET 64 3HB MET 64 -0.005 -9.076 -6.891 516 1HG MET 64 2HG MET 64 -0.936 -8.628 -4.039 517 2HG MET 64 3HG MET 64 -0.902 -7.359 -5.253 518 1HE MET 64 1HE MET 64 -2.024 -8.594 -7.902 519 2HE MET 64 2HE MET 64 -3.760 -8.306 -7.664 520 3HE MET 64 3HE MET 64 -2.583 -7.071 -7.165 521 H GLY 65 HN GLY 65 2.636 -11.238 -4.763 522 1HA GLY 65 1HA GLY 65 3.896 -13.093 -5.553 523 2HA GLY 65 2HA GLY 65 3.241 -12.889 -7.183 524 H PHE 66 HN PHE 66 4.469 -10.333 -4.980 525 HA PHE 66 HA PHE 66 6.799 -9.853 -6.737 526 1HB PHE 66 2HB PHE 66 4.549 -7.866 -6.275 527 2HB PHE 66 3HB PHE 66 6.128 -7.446 -6.930 528 HD1 PHE 66 1HD PHE 66 2.848 -8.798 -7.737 529 HD2 PHE 66 2HD PHE 66 6.962 -8.711 -9.021 530 HE1 PHE 66 1HE PHE 66 2.158 -9.482 -10.019 531 HE2 PHE 66 2HE PHE 66 6.285 -9.453 -11.261 532 HZ PHE 66 HZ PHE 66 3.873 -9.822 -11.790 533 HA PRO 67 HA PRO 67 8.027 -9.139 -2.470 534 1HB PRO 67 2HB PRO 67 10.578 -8.122 -2.828 535 2HB PRO 67 3HB PRO 67 10.153 -9.849 -2.996 536 1HG PRO 67 2HG PRO 67 10.365 -7.781 -5.201 537 2HG PRO 67 3HG PRO 67 11.106 -9.408 -5.158 538 1HD PRO 67 2HD PRO 67 8.789 -8.974 -6.463 539 2HD PRO 67 3HD PRO 67 8.980 -10.460 -5.493 540 H ALA 68 HN ALA 68 7.118 -7.473 -1.316 541 HA ALA 68 HA ALA 68 7.513 -4.652 -2.311 542 1HB ALA 68 1HB ALA 68 5.290 -5.328 -2.794 543 2HB ALA 68 2HB ALA 68 5.044 -6.008 -1.175 544 3HB ALA 68 3HB ALA 68 5.209 -4.244 -1.388 545 H PHE 69 HN PHE 69 6.728 -3.195 -0.173 546 HA PHE 69 HA PHE 69 7.969 -4.184 2.196 547 1HB PHE 69 2HB PHE 69 9.842 -3.495 0.274 548 2HB PHE 69 3HB PHE 69 9.725 -2.026 1.226 549 HD1 PHE 69 1HD PHE 69 10.727 -5.568 1.202 550 HD2 PHE 69 2HD PHE 69 10.283 -2.053 3.673 551 HE1 PHE 69 1HE PHE 69 11.935 -6.699 3.043 552 HE2 PHE 69 2HE PHE 69 11.365 -3.241 5.550 553 HZ PHE 69 HZ PHE 69 12.256 -5.543 5.222 554 H VAL 70 HN VAL 70 7.960 -2.668 3.968 555 HA VAL 70 HA VAL 70 6.090 -0.378 3.559 556 HB VAL 70 HB VAL 70 6.698 -2.230 5.876 557 1HG1 VAL 70 1HG1 VAL 70 5.491 0.545 6.133 558 2HG1 VAL 70 2HG1 VAL 70 5.416 -0.738 7.361 559 3HG1 VAL 70 3HG1 VAL 70 6.978 -0.043 6.924 560 1HG2 VAL 70 1HG2 VAL 70 4.801 -2.708 4.433 561 2HG2 VAL 70 2HG2 VAL 70 4.194 -2.191 6.003 562 3HG2 VAL 70 3HG2 VAL 70 4.152 -1.069 4.633 563 H LYS 71 HN LYS 71 6.901 1.600 3.695 564 HA LYS 71 HA LYS 71 9.651 2.014 4.838 565 1HB LYS 71 2HB LYS 71 8.050 3.916 3.125 566 2HB LYS 71 3HB LYS 71 9.688 4.121 3.770 567 1HG LYS 71 2HG LYS 71 10.349 2.010 2.474 568 2HG LYS 71 3HG LYS 71 8.739 2.075 1.733 569 1HD LYS 71 2HD LYS 71 9.654 3.467 0.207 570 2HD LYS 71 3HD LYS 71 9.522 4.693 1.449 571 1HE LYS 71 2HE LYS 71 11.896 4.080 2.195 572 2HE LYS 71 3HE LYS 71 11.973 3.001 0.789 573 1HZ LYS 71 1HZ LYS 71 11.689 5.930 0.770 574 2HZ LYS 71 2HZ LYS 71 12.898 5.033 0.093 575 3HZ LYS 71 3HZ LYS 71 11.362 5.039 -0.534 576 H LYS 72 HN LYS 72 6.456 3.673 4.717 577 HA LYS 72 HA LYS 72 7.003 4.799 7.437 578 1HB LYS 72 2HB LYS 72 6.272 6.083 5.052 579 2HB LYS 72 3HB LYS 72 4.756 6.017 5.951 580 1HG LYS 72 2HG LYS 72 7.386 6.978 7.157 581 2HG LYS 72 3HG LYS 72 6.373 8.050 6.201 582 1HD LYS 72 2HD LYS 72 4.715 8.239 7.744 583 2HD LYS 72 3HD LYS 72 4.938 6.633 8.415 584 1HE LYS 72 2HE LYS 72 7.008 7.300 9.558 585 2HE LYS 72 3HE LYS 72 6.934 8.906 8.810 586 1HZ LYS 72 1HZ LYS 72 4.971 7.843 10.779 587 2HZ LYS 72 2HZ LYS 72 6.127 8.945 11.045 588 3HZ LYS 72 3HZ LYS 72 4.886 9.296 10.031 589 H ILE 73 HN ILE 73 5.236 4.765 8.962 590 HA ILE 73 HA ILE 73 3.125 2.781 8.495 591 HB ILE 73 HB ILE 73 5.319 1.788 9.267 592 1HG1 ILE 73 2HG1 ILE 73 3.030 1.290 11.189 593 2HG1 ILE 73 3HG1 ILE 73 3.060 0.708 9.512 594 1HG2 ILE 73 1HG2 ILE 73 4.527 3.112 11.875 595 2HG2 ILE 73 2HG2 ILE 73 5.975 2.119 11.577 596 3HG2 ILE 73 3HG2 ILE 73 5.809 3.701 10.798 597 1HD1 ILE 73 1HD1 ILE 73 5.137 0.029 11.645 598 2HD1 ILE 73 2HD1 ILE 73 3.908 -1.053 10.990 599 3HD1 ILE 73 3HD1 ILE 73 5.205 -0.474 9.941 600 H GLU 74 HN GLU 74 1.545 2.872 10.169 601 HA GLU 74 HA GLU 74 0.512 5.355 10.620 602 1HB GLU 74 2HB GLU 74 -0.154 2.534 11.304 603 2HB GLU 74 3HB GLU 74 -1.035 3.769 12.192 604 1HG GLU 74 2HG GLU 74 -2.158 3.027 10.078 605 2HG GLU 74 3HG GLU 74 -1.915 4.754 10.299 606 H GLY 75 HN GLY 75 2.581 6.209 11.737 607 1HA GLY 75 1HA GLY 75 1.781 7.356 14.137 608 2HA GLY 75 2HA GLY 75 2.796 5.965 14.597 609 H ARG 76 HN ARG 76 4.365 7.492 15.413 610 HA ARG 76 HA ARG 76 6.355 8.090 13.372 611 1HB ARG 76 2HB ARG 76 6.054 9.562 16.041 612 2HB ARG 76 3HB ARG 76 7.454 9.574 14.979 613 1HG ARG 76 2HG ARG 76 6.557 11.541 14.352 614 2HG ARG 76 3HG ARG 76 5.819 10.500 13.146 615 1HD ARG 76 2HD ARG 76 3.719 10.920 13.901 616 2HD ARG 76 3HD ARG 76 4.134 10.685 15.584 617 HE ARG 76 HE ARG 76 3.876 13.183 14.177 618 1HH1 ARG 76 1HH2 ARG 76 5.733 11.630 16.718 619 2HH1 ARG 76 2HH2 ARG 76 6.109 13.082 17.594 620 1HH2 ARG 76 1HH1 ARG 76 4.402 15.179 15.259 621 2HH2 ARG 76 2HH1 ARG 76 5.344 15.157 16.713 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -10.768 9.114 7.866 2 2H GLY 1 2H GLY 1 -11.404 10.384 8.760 3 3H GLY 1 3H GLY 1 -9.861 10.361 8.124 4 1HA GLY 1 1HA GLY 1 -9.554 9.941 10.420 5 2HA GLY 1 2HA GLY 1 -10.853 8.735 10.361 6 H GLU 2 HN GLU 2 -7.738 9.434 8.591 7 HA GLU 2 HA GLU 2 -6.915 6.620 8.803 8 1HB GLU 2 2HB GLU 2 -6.729 6.512 6.338 9 2HB GLU 2 3HB GLU 2 -8.385 6.603 6.911 10 1HG GLU 2 2HG GLU 2 -6.857 9.025 5.847 11 2HG GLU 2 3HG GLU 2 -7.939 8.023 4.875 12 H VAL 3 HN VAL 3 -4.702 6.325 7.938 13 HA VAL 3 HA VAL 3 -3.018 8.744 8.411 14 HB VAL 3 HB VAL 3 -2.626 5.826 9.193 15 1HG1 VAL 3 1HG1 VAL 3 -0.867 8.219 9.849 16 2HG1 VAL 3 2HG1 VAL 3 -0.635 6.505 10.295 17 3HG1 VAL 3 3HG1 VAL 3 -0.482 7.002 8.618 18 1HG2 VAL 3 1HG2 VAL 3 -2.814 6.575 11.496 19 2HG2 VAL 3 2HG2 VAL 3 -3.065 8.260 10.973 20 3HG2 VAL 3 3HG2 VAL 3 -4.284 7.021 10.618 21 H VAL 4 HN VAL 4 -1.373 9.052 6.951 22 HA VAL 4 HA VAL 4 -1.436 7.682 4.421 23 HB VAL 4 HB VAL 4 0.281 9.890 5.656 24 1HG1 VAL 4 1HG1 VAL 4 1.495 8.876 3.820 25 2HG1 VAL 4 2HG1 VAL 4 0.037 8.951 2.792 26 3HG1 VAL 4 3HG1 VAL 4 0.857 10.447 3.310 27 1HG2 VAL 4 1HG2 VAL 4 -2.076 10.046 3.719 28 2HG2 VAL 4 2HG2 VAL 4 -2.120 10.529 5.429 29 3HG2 VAL 4 3HG2 VAL 4 -1.100 11.413 4.290 30 H LEU 5 HN LEU 5 0.097 6.242 3.621 31 HA LEU 5 HA LEU 5 2.515 5.673 5.255 32 1HB LEU 5 2HB LEU 5 0.725 4.179 5.937 33 2HB LEU 5 3HB LEU 5 0.489 3.641 4.280 34 HG LEU 5 HG LEU 5 1.795 2.164 5.966 35 1HD1 LEU 5 1HD1 LEU 5 1.535 1.608 3.680 36 2HD1 LEU 5 2HD1 LEU 5 2.890 2.614 3.175 37 3HD1 LEU 5 3HD1 LEU 5 3.188 1.213 4.215 38 1HD2 LEU 5 1HD2 LEU 5 4.250 3.665 5.038 39 2HD2 LEU 5 2HD2 LEU 5 3.415 4.101 6.524 40 3HD2 LEU 5 3HD2 LEU 5 4.075 2.468 6.324 41 H LYS 6 HN LYS 6 4.210 5.467 3.969 42 HA LYS 6 HA LYS 6 3.953 5.272 1.011 43 1HB LYS 6 2HB LYS 6 6.112 6.222 2.878 44 2HB LYS 6 3HB LYS 6 6.572 5.605 1.295 45 1HG LYS 6 2HG LYS 6 4.302 7.550 1.325 46 2HG LYS 6 3HG LYS 6 5.857 8.207 1.787 47 1HD LYS 6 2HD LYS 6 6.048 6.527 -0.677 48 2HD LYS 6 3HD LYS 6 4.894 7.827 -0.835 49 1HE LYS 6 2HE LYS 6 6.936 8.740 -1.592 50 2HE LYS 6 3HE LYS 6 6.608 9.475 -0.019 51 1HZ LYS 6 1HZ LYS 6 8.643 7.585 -0.842 52 2HZ LYS 6 2HZ LYS 6 8.804 8.847 0.184 53 3HZ LYS 6 3HZ LYS 6 8.132 7.386 0.660 54 H MET 7 HN MET 7 4.522 3.431 -0.068 55 HA MET 7 HA MET 7 6.059 1.351 1.358 56 1HB MET 7 2HB MET 7 4.596 -0.358 0.438 57 2HB MET 7 3HB MET 7 3.770 0.715 1.580 58 1HG MET 7 2HG MET 7 2.205 1.076 0.077 59 2HG MET 7 3HG MET 7 3.348 1.864 -0.967 60 1HE MET 7 1HE MET 7 0.512 -0.597 -1.904 61 2HE MET 7 2HE MET 7 1.031 1.051 -2.310 62 3HE MET 7 3HE MET 7 1.269 -0.283 -3.466 63 H LYS 8 HN LYS 8 7.367 0.134 0.100 64 HA LYS 8 HA LYS 8 8.022 1.230 -2.574 65 1HB LYS 8 2HB LYS 8 9.520 -0.087 -0.434 66 2HB LYS 8 3HB LYS 8 9.658 -1.032 -1.911 67 1HG LYS 8 2HG LYS 8 10.324 1.921 -1.606 68 2HG LYS 8 3HG LYS 8 11.466 0.569 -1.721 69 1HD LYS 8 2HD LYS 8 9.874 0.167 -3.965 70 2HD LYS 8 3HD LYS 8 9.907 1.930 -3.875 71 1HE LYS 8 2HE LYS 8 12.416 0.186 -3.821 72 2HE LYS 8 3HE LYS 8 11.629 0.665 -5.330 73 1HZ LYS 8 1HZ LYS 8 12.714 2.541 -3.354 74 2HZ LYS 8 2HZ LYS 8 13.388 2.103 -4.797 75 3HZ LYS 8 3HZ LYS 8 11.973 2.940 -4.777 76 H VAL 9 HN VAL 9 7.529 0.122 -4.443 77 HA VAL 9 HA VAL 9 6.380 -2.641 -4.207 78 HB VAL 9 HB VAL 9 5.691 -0.504 -6.274 79 1HG1 VAL 9 1HG1 VAL 9 3.969 -2.146 -6.964 80 2HG1 VAL 9 2HG1 VAL 9 5.581 -2.860 -7.110 81 3HG1 VAL 9 3HG1 VAL 9 4.547 -3.293 -5.737 82 1HG2 VAL 9 1HG2 VAL 9 3.439 -0.551 -5.211 83 2HG2 VAL 9 2HG2 VAL 9 4.092 -1.604 -3.939 84 3HG2 VAL 9 3HG2 VAL 9 4.674 0.072 -4.108 85 H GLU 10 HN GLU 10 8.510 -3.511 -4.337 86 HA GLU 10 HA GLU 10 10.205 -2.653 -6.592 87 1HB GLU 10 2HB GLU 10 10.555 -4.496 -4.213 88 2HB GLU 10 3HB GLU 10 11.580 -4.742 -5.619 89 1HG GLU 10 2HG GLU 10 11.269 -2.061 -4.224 90 2HG GLU 10 3HG GLU 10 12.573 -3.218 -3.908 91 H GLY 11 HN GLY 11 11.233 -4.495 -7.846 92 1HA GLY 11 1HA GLY 11 11.023 -6.325 -9.285 93 2HA GLY 11 2HA GLY 11 9.493 -6.767 -8.520 94 H MET 12 HN MET 12 7.799 -4.772 -8.901 95 HA MET 12 HA MET 12 7.273 -4.639 -11.766 96 1HB MET 12 2HB MET 12 5.899 -3.528 -9.302 97 2HB MET 12 3HB MET 12 5.399 -3.058 -10.935 98 1HG MET 12 2HG MET 12 5.579 -5.944 -10.044 99 2HG MET 12 3HG MET 12 4.095 -4.981 -10.005 100 1HE MET 12 1HE MET 12 4.886 -7.840 -11.681 101 2HE MET 12 2HE MET 12 3.251 -7.211 -11.347 102 3HE MET 12 3HE MET 12 3.747 -7.584 -13.022 103 H THR 13 HN THR 13 9.335 -3.867 -12.213 104 HA THR 13 HA THR 13 10.096 -1.074 -11.839 105 HB THR 13 HB THR 13 11.901 -2.032 -13.510 106 HG1 THR 13 1HG THR 13 10.949 -4.514 -12.502 107 1HG2 THR 13 1HG2 THR 13 11.581 -3.210 -10.706 108 2HG2 THR 13 2HG2 THR 13 13.075 -3.214 -11.668 109 3HG2 THR 13 3HG2 THR 13 12.376 -1.679 -11.123 110 H CYS 14 HN CYS 14 8.961 -3.267 -14.413 111 HA CYS 14 HA CYS 14 8.830 -1.184 -16.426 112 1HB CYS 14 2HB CYS 14 9.144 -3.706 -16.829 113 2HB CYS 14 3HB CYS 14 7.389 -3.835 -16.549 114 HG CYS 14 HG CYS 14 7.801 -3.813 -19.100 115 H HIS 15 HN HIS 15 6.850 -0.353 -17.388 116 HA HIS 15 HA HIS 15 5.082 0.617 -15.364 117 1HB HIS 15 2HB HIS 15 4.768 0.801 -18.378 118 2HB HIS 15 3HB HIS 15 4.052 1.877 -17.174 119 HD1 HIS 15 1HD HIS 15 5.870 3.006 -19.499 120 HD2 HIS 15 2HD HIS 15 7.125 2.043 -15.598 121 HE1 HIS 15 1HE HIS 15 7.983 4.363 -19.049 122 H SER 16 HN SER 16 2.644 0.747 -15.945 123 HA SER 16 HA SER 16 0.620 -0.110 -16.371 124 1HB SER 16 2HB SER 16 1.870 -0.684 -18.569 125 2HB SER 16 3HB SER 16 1.829 -2.362 -17.986 126 HG SER 16 HG SER 16 -0.034 -2.059 -19.136 127 H CYS 17 HN CYS 17 1.638 -0.738 -13.941 128 HA CYS 17 HA CYS 17 -0.125 -2.946 -13.320 129 1HB CYS 17 2HB CYS 17 2.324 -3.886 -13.823 130 2HB CYS 17 3HB CYS 17 2.617 -3.427 -12.150 131 HG CYS 17 HG CYS 17 1.963 -5.967 -12.421 132 H THR 18 HN THR 18 -0.862 -0.700 -12.730 133 HA THR 18 HA THR 18 -0.142 -0.168 -9.885 134 HB THR 18 HB THR 18 -0.527 2.284 -10.480 135 HG1 THR 18 1HG THR 18 -0.434 2.791 -12.712 136 1HG2 THR 18 1HG2 THR 18 1.705 1.105 -12.190 137 2HG2 THR 18 2HG2 THR 18 1.630 2.695 -11.390 138 3HG2 THR 18 3HG2 THR 18 1.780 1.213 -10.424 139 H SER 19 HN SER 19 -2.441 1.130 -12.255 140 HA SER 19 HA SER 19 -4.412 1.537 -10.423 141 1HB SER 19 2HB SER 19 -4.410 2.490 -12.716 142 2HB SER 19 3HB SER 19 -4.873 0.906 -13.383 143 HG SER 19 HG SER 19 -6.630 2.444 -13.008 144 H THR 20 HN THR 20 -4.068 -1.476 -12.210 145 HA THR 20 HA THR 20 -6.253 -2.861 -11.132 146 HB THR 20 HB THR 20 -3.452 -3.556 -12.071 147 HG1 THR 20 1HG THR 20 -6.036 -4.430 -12.838 148 1HG2 THR 20 1HG2 THR 20 -5.275 -5.519 -10.670 149 2HG2 THR 20 2HG2 THR 20 -3.964 -5.974 -11.795 150 3HG2 THR 20 3HG2 THR 20 -3.580 -5.104 -10.303 151 H ILE 21 HN ILE 21 -3.017 -2.408 -9.635 152 HA ILE 21 HA ILE 21 -3.662 -3.836 -7.231 153 HB ILE 21 HB ILE 21 -1.471 -1.944 -8.163 154 1HG1 ILE 21 2HG1 ILE 21 -0.385 -4.323 -7.252 155 2HG1 ILE 21 3HG1 ILE 21 -1.885 -4.872 -7.987 156 1HG2 ILE 21 1HG2 ILE 21 -1.729 -1.367 -5.845 157 2HG2 ILE 21 2HG2 ILE 21 -1.559 -3.089 -5.387 158 3HG2 ILE 21 3HG2 ILE 21 -0.228 -2.214 -6.206 159 1HD1 ILE 21 1HD1 ILE 21 0.299 -3.199 -9.258 160 2HD1 ILE 21 2HD1 ILE 21 -0.090 -4.890 -9.612 161 3HD1 ILE 21 3HD1 ILE 21 -1.230 -3.607 -10.080 162 H GLU 22 HN GLU 22 -3.720 -0.346 -8.148 163 HA GLU 22 HA GLU 22 -4.425 0.665 -5.648 164 1HB GLU 22 2HB GLU 22 -5.237 1.640 -8.432 165 2HB GLU 22 3HB GLU 22 -5.549 2.527 -6.968 166 1HG GLU 22 2HG GLU 22 -3.098 2.560 -6.487 167 2HG GLU 22 3HG GLU 22 -2.795 1.787 -8.048 168 H GLY 23 HN GLY 23 -6.594 0.140 -8.323 169 1HA GLY 23 1HA GLY 23 -9.110 0.350 -7.226 170 2HA GLY 23 2HA GLY 23 -8.715 -0.728 -8.576 171 H LYS 24 HN LYS 24 -7.269 -2.795 -7.534 172 HA LYS 24 HA LYS 24 -9.274 -4.328 -6.236 173 1HB LYS 24 2HB LYS 24 -7.352 -5.278 -7.554 174 2HB LYS 24 3HB LYS 24 -6.276 -4.842 -6.218 175 1HG LYS 24 2HG LYS 24 -8.034 -6.231 -4.767 176 2HG LYS 24 3HG LYS 24 -8.494 -6.912 -6.328 177 1HD LYS 24 2HD LYS 24 -6.219 -7.714 -6.701 178 2HD LYS 24 3HD LYS 24 -5.618 -6.883 -5.264 179 1HE LYS 24 2HE LYS 24 -7.686 -9.140 -5.249 180 2HE LYS 24 3HE LYS 24 -5.960 -9.346 -4.936 181 1HZ LYS 24 1HZ LYS 24 -7.805 -7.737 -3.293 182 2HZ LYS 24 2HZ LYS 24 -7.185 -9.200 -2.901 183 3HZ LYS 24 3HZ LYS 24 -6.195 -7.896 -3.005 184 H ILE 25 HN ILE 25 -6.259 -2.836 -4.878 185 HA ILE 25 HA ILE 25 -6.732 -3.710 -2.191 186 HB ILE 25 HB ILE 25 -5.083 -1.535 -3.541 187 1HG1 ILE 25 2HG1 ILE 25 -4.402 -3.851 -4.096 188 2HG1 ILE 25 3HG1 ILE 25 -3.164 -2.862 -3.309 189 1HG2 ILE 25 1HG2 ILE 25 -5.090 -2.178 -0.634 190 2HG2 ILE 25 2HG2 ILE 25 -3.741 -1.387 -1.505 191 3HG2 ILE 25 3HG2 ILE 25 -5.333 -0.619 -1.473 192 1HD1 ILE 25 1HD1 ILE 25 -4.943 -4.920 -1.993 193 2HD1 ILE 25 2HD1 ILE 25 -3.220 -5.116 -2.384 194 3HD1 ILE 25 3HD1 ILE 25 -3.725 -3.925 -1.159 195 H GLY 26 HN GLY 26 -7.856 -0.916 -4.017 196 1HA GLY 26 1HA GLY 26 -8.926 0.663 -1.979 197 2HA GLY 26 2HA GLY 26 -9.561 0.503 -3.622 198 H LYS 27 HN LYS 27 -9.969 -2.631 -2.809 199 HA LYS 27 HA LYS 27 -12.673 -2.137 -1.682 200 1HB LYS 27 2HB LYS 27 -11.378 -4.270 -3.353 201 2HB LYS 27 3HB LYS 27 -12.594 -4.762 -2.187 202 1HG LYS 27 2HG LYS 27 -14.211 -3.207 -3.102 203 2HG LYS 27 3HG LYS 27 -13.015 -2.538 -4.224 204 1HD LYS 27 2HD LYS 27 -12.944 -4.440 -5.566 205 2HD LYS 27 3HD LYS 27 -13.563 -5.523 -4.320 206 1HE LYS 27 2HE LYS 27 -15.239 -3.327 -5.641 207 2HE LYS 27 3HE LYS 27 -15.171 -4.994 -6.227 208 1HZ LYS 27 1HZ LYS 27 -16.092 -4.203 -3.543 209 2HZ LYS 27 2HZ LYS 27 -17.051 -4.651 -4.798 210 3HZ LYS 27 3HZ LYS 27 -16.023 -5.740 -4.123 211 H LEU 28 HN LEU 28 -9.415 -2.997 -0.590 212 HA LEU 28 HA LEU 28 -10.265 -4.913 1.221 213 1HB LEU 28 2HB LEU 28 -7.797 -3.207 1.159 214 2HB LEU 28 3HB LEU 28 -8.097 -4.530 2.257 215 HG LEU 28 HG LEU 28 -6.853 -4.793 -0.157 216 1HD1 LEU 28 1HD1 LEU 28 -7.129 -7.290 0.498 217 2HD1 LEU 28 2HD1 LEU 28 -6.670 -6.254 1.870 218 3HD1 LEU 28 3HD1 LEU 28 -8.359 -6.759 1.646 219 1HD2 LEU 28 1HD2 LEU 28 -8.900 -4.834 -1.463 220 2HD2 LEU 28 2HD2 LEU 28 -8.144 -6.425 -1.420 221 3HD2 LEU 28 3HD2 LEU 28 -9.554 -6.108 -0.396 222 H GLN 29 HN GLN 29 -10.891 -4.848 3.201 223 HA GLN 29 HA GLN 29 -12.057 -2.638 4.481 224 1HB GLN 29 2HB GLN 29 -12.392 -4.091 6.372 225 2HB GLN 29 3HB GLN 29 -12.758 -4.889 4.839 226 1HG GLN 29 2HG GLN 29 -10.202 -5.675 5.056 227 2HG GLN 29 3HG GLN 29 -10.506 -5.368 6.764 228 1HE2 GLN 29 2HE2 GLN 29 -11.509 -7.307 3.919 229 2HE2 GLN 29 1HE2 GLN 29 -12.312 -8.547 4.861 230 H GLY 30 HN GLY 30 -10.918 -0.852 5.009 231 1HA GLY 30 1HA GLY 30 -9.722 0.029 7.000 232 2HA GLY 30 2HA GLY 30 -8.437 -1.151 6.692 233 H VAL 31 HN VAL 31 -8.921 -0.611 3.590 234 HA VAL 31 HA VAL 31 -6.982 1.575 3.536 235 HB VAL 31 HB VAL 31 -8.152 -0.444 1.596 236 1HG1 VAL 31 1HG1 VAL 31 -8.256 1.560 0.319 237 2HG1 VAL 31 2HG1 VAL 31 -6.612 2.049 0.821 238 3HG1 VAL 31 3HG1 VAL 31 -6.861 0.626 -0.223 239 1HG2 VAL 31 1HG2 VAL 31 -5.784 -0.999 1.270 240 2HG2 VAL 31 2HG2 VAL 31 -5.293 0.361 2.300 241 3HG2 VAL 31 3HG2 VAL 31 -6.161 -1.022 3.001 242 H GLN 32 HN GLN 32 -7.470 3.604 3.115 243 HA GLN 32 HA GLN 32 -10.272 4.365 2.480 244 1HB GLN 32 2HB GLN 32 -8.261 5.381 4.221 245 2HB GLN 32 3HB GLN 32 -8.676 6.625 3.031 246 1HG GLN 32 2HG GLN 32 -10.781 5.061 4.568 247 2HG GLN 32 3HG GLN 32 -10.001 6.486 5.231 248 1HE2 GLN 32 2HE2 GLN 32 -12.657 6.764 5.022 249 2HE2 GLN 32 1HE2 GLN 32 -13.083 7.762 3.640 250 H ARG 33 HN ARG 33 -6.827 4.964 1.413 251 HA ARG 33 HA ARG 33 -7.815 5.031 -1.319 252 1HB ARG 33 2HB ARG 33 -7.898 7.422 0.013 253 2HB ARG 33 3HB ARG 33 -6.243 7.501 -0.581 254 1HG ARG 33 2HG ARG 33 -6.951 7.538 -2.845 255 2HG ARG 33 3HG ARG 33 -8.515 6.776 -2.469 256 1HD ARG 33 2HD ARG 33 -9.229 8.755 -1.219 257 2HD ARG 33 3HD ARG 33 -7.718 9.596 -1.656 258 HE ARG 33 HE ARG 33 -8.919 8.679 -4.043 259 1HH1 ARG 33 1HH2 ARG 33 -9.750 10.871 -1.413 260 2HH1 ARG 33 2HH2 ARG 33 -10.790 11.891 -2.356 261 1HH2 ARG 33 1HH1 ARG 33 -10.305 10.014 -5.351 262 2HH2 ARG 33 2HH1 ARG 33 -11.091 11.393 -4.660 263 H ILE 34 HN ILE 34 -5.957 5.400 -2.884 264 HA ILE 34 HA ILE 34 -3.342 4.669 -1.901 265 HB ILE 34 HB ILE 34 -4.497 2.515 -1.910 266 1HG1 ILE 34 2HG1 ILE 34 -2.632 2.596 -4.296 267 2HG1 ILE 34 3HG1 ILE 34 -2.054 2.872 -2.654 268 1HG2 ILE 34 1HG2 ILE 34 -5.444 1.493 -3.879 269 2HG2 ILE 34 2HG2 ILE 34 -6.241 3.036 -3.646 270 3HG2 ILE 34 3HG2 ILE 34 -5.000 2.870 -4.892 271 1HD1 ILE 34 1HD1 ILE 34 -3.452 0.334 -3.578 272 2HD1 ILE 34 2HD1 ILE 34 -1.715 0.545 -3.308 273 3HD1 ILE 34 3HD1 ILE 34 -2.842 0.680 -1.945 274 H LYS 35 HN LYS 35 -1.726 5.215 -3.284 275 HA LYS 35 HA LYS 35 -2.338 6.001 -6.084 276 1HB LYS 35 2HB LYS 35 -0.517 7.550 -4.189 277 2HB LYS 35 3HB LYS 35 -1.062 8.029 -5.789 278 1HG LYS 35 2HG LYS 35 -2.791 7.811 -3.272 279 2HG LYS 35 3HG LYS 35 -2.081 9.289 -3.880 280 1HD LYS 35 2HD LYS 35 -3.647 7.849 -5.948 281 2HD LYS 35 3HD LYS 35 -4.607 8.282 -4.532 282 1HE LYS 35 2HE LYS 35 -3.987 10.633 -4.728 283 2HE LYS 35 3HE LYS 35 -2.827 10.273 -6.022 284 1HZ LYS 35 1HZ LYS 35 -5.736 9.870 -6.223 285 2HZ LYS 35 2HZ LYS 35 -4.901 11.139 -6.862 286 3HZ LYS 35 3HZ LYS 35 -4.634 9.613 -7.416 287 H VAL 36 HN VAL 36 -0.994 4.625 -7.290 288 HA VAL 36 HA VAL 36 1.636 3.806 -6.097 289 HB VAL 36 HB VAL 36 -0.107 2.384 -8.127 290 1HG1 VAL 36 1HG1 VAL 36 2.481 1.493 -6.761 291 2HG1 VAL 36 2HG1 VAL 36 1.502 0.543 -7.899 292 3HG1 VAL 36 3HG1 VAL 36 2.369 1.994 -8.444 293 1HG2 VAL 36 1HG2 VAL 36 0.578 1.602 -5.262 294 2HG2 VAL 36 2HG2 VAL 36 -0.968 2.293 -5.765 295 3HG2 VAL 36 3HG2 VAL 36 -0.464 0.716 -6.391 296 H SER 37 HN SER 37 3.227 5.091 -6.866 297 HA SER 37 HA SER 37 2.988 6.187 -9.634 298 1HB SER 37 2HB SER 37 3.246 7.757 -7.754 299 2HB SER 37 3HB SER 37 4.792 6.988 -7.348 300 HG SER 37 HG SER 37 4.882 8.897 -8.778 301 H LEU 38 HN LEU 38 3.582 4.184 -10.728 302 HA LEU 38 HA LEU 38 5.675 2.546 -10.066 303 1HB LEU 38 2HB LEU 38 3.798 2.588 -12.014 304 2HB LEU 38 3HB LEU 38 5.142 3.147 -12.985 305 HG LEU 38 HG LEU 38 4.714 0.812 -13.102 306 1HD1 LEU 38 1HD1 LEU 38 7.385 1.174 -11.659 307 2HD1 LEU 38 2HD1 LEU 38 6.981 -0.046 -12.866 308 3HD1 LEU 38 3HD1 LEU 38 7.093 1.658 -13.342 309 1HD2 LEU 38 1HD2 LEU 38 3.890 0.419 -10.761 310 2HD2 LEU 38 2HD2 LEU 38 4.981 -0.813 -11.406 311 3HD2 LEU 38 3HD2 LEU 38 5.585 0.356 -10.230 312 H ASP 39 HN ASP 39 5.793 5.531 -12.092 313 HA ASP 39 HA ASP 39 8.361 5.872 -12.834 314 1HB ASP 39 2HB ASP 39 6.802 7.897 -11.154 315 2HB ASP 39 3HB ASP 39 8.041 8.230 -12.346 316 H ASN 40 HN ASN 40 7.049 6.408 -9.563 317 HA ASN 40 HA ASN 40 9.615 7.232 -8.588 318 1HB ASN 40 2HB ASN 40 7.214 8.089 -7.933 319 2HB ASN 40 3HB ASN 40 7.258 6.773 -6.764 320 1HD2 ASN 40 2HD2 ASN 40 9.675 6.752 -5.617 321 2HD2 ASN 40 1HD2 ASN 40 10.053 8.332 -4.940 322 H GLN 41 HN GLN 41 7.974 4.280 -8.989 323 HA GLN 41 HA GLN 41 8.164 2.161 -8.367 324 1HB GLN 41 2HB GLN 41 10.808 2.863 -7.030 325 2HB GLN 41 3HB GLN 41 10.285 1.297 -7.688 326 1HG GLN 41 2HG GLN 41 10.064 2.360 -9.917 327 2HG GLN 41 3HG GLN 41 10.681 3.869 -9.238 328 1HE2 GLN 41 2HE2 GLN 41 12.235 3.549 -11.099 329 2HE2 GLN 41 1HE2 GLN 41 13.706 2.665 -10.717 330 H GLU 42 HN GLU 42 7.252 4.369 -6.561 331 HA GLU 42 HA GLU 42 6.947 2.882 -4.006 332 1HB GLU 42 2HB GLU 42 8.565 5.182 -4.324 333 2HB GLU 42 3HB GLU 42 7.052 5.820 -3.703 334 1HG GLU 42 2HG GLU 42 7.137 4.121 -1.847 335 2HG GLU 42 3HG GLU 42 8.731 3.604 -2.428 336 H ALA 43 HN ALA 43 5.077 3.455 -2.816 337 HA ALA 43 HA ALA 43 2.893 4.792 -4.357 338 1HB ALA 43 1HB ALA 43 2.754 2.417 -4.764 339 2HB ALA 43 2HB ALA 43 2.905 2.076 -3.058 340 3HB ALA 43 3HB ALA 43 1.446 2.914 -3.650 341 H THR 44 HN THR 44 1.139 5.497 -2.934 342 HA THR 44 HA THR 44 1.854 5.949 -0.092 343 HB THR 44 HB THR 44 0.683 7.788 -2.227 344 HG1 THR 44 1HG THR 44 2.796 8.287 -0.444 345 1HG2 THR 44 1HG2 THR 44 0.793 8.122 0.786 346 2HG2 THR 44 2HG2 THR 44 0.505 9.456 -0.362 347 3HG2 THR 44 3HG2 THR 44 -0.653 8.120 -0.250 348 H ILE 45 HN ILE 45 0.409 4.581 0.951 349 HA ILE 45 HA ILE 45 -2.349 4.404 -0.074 350 HB ILE 45 HB ILE 45 -1.265 2.758 2.171 351 1HG1 ILE 45 2HG1 ILE 45 -0.719 2.349 -0.779 352 2HG1 ILE 45 3HG1 ILE 45 0.453 2.480 0.554 353 1HG2 ILE 45 1HG2 ILE 45 -2.967 1.142 1.256 354 2HG2 ILE 45 2HG2 ILE 45 -3.722 2.646 1.638 355 3HG2 ILE 45 3HG2 ILE 45 -3.317 2.274 -0.043 356 1HD1 ILE 45 1HD1 ILE 45 -1.450 0.237 -0.006 357 2HD1 ILE 45 2HD1 ILE 45 0.304 0.176 0.138 358 3HD1 ILE 45 3HD1 ILE 45 -0.655 0.508 1.584 359 H VAL 46 HN VAL 46 -4.044 4.458 1.840 360 HA VAL 46 HA VAL 46 -3.136 5.949 4.148 361 HB VAL 46 HB VAL 46 -3.758 7.602 2.419 362 1HG1 VAL 46 1HG1 VAL 46 -6.485 6.630 3.048 363 2HG1 VAL 46 2HG1 VAL 46 -6.087 8.078 2.080 364 3HG1 VAL 46 3HG1 VAL 46 -5.561 6.470 1.521 365 1HG2 VAL 46 1HG2 VAL 46 -5.128 8.969 4.073 366 2HG2 VAL 46 2HG2 VAL 46 -5.135 7.526 5.119 367 3HG2 VAL 46 3HG2 VAL 46 -3.611 8.327 4.704 368 H TYR 47 HN TYR 47 -3.914 4.915 5.945 369 HA TYR 47 HA TYR 47 -6.462 3.529 5.976 370 1HB TYR 47 2HB TYR 47 -5.530 1.257 6.253 371 2HB TYR 47 3HB TYR 47 -5.157 1.912 4.672 372 HD1 TYR 47 1HD TYR 47 -2.903 2.420 3.987 373 HD2 TYR 47 2HD TYR 47 -3.721 0.912 7.941 374 HE1 TYR 47 1HE TYR 47 -0.636 1.469 4.099 375 HE2 TYR 47 2HE TYR 47 -1.363 0.214 8.143 376 HH TYR 47 HH TYR 47 0.265 -0.783 6.738 377 H GLN 48 HN GLN 48 -6.473 2.056 8.120 378 HA GLN 48 HA GLN 48 -4.724 3.206 10.223 379 1HB GLN 48 2HB GLN 48 -7.724 3.224 9.942 380 2HB GLN 48 3HB GLN 48 -7.150 2.728 11.510 381 1HG GLN 48 2HG GLN 48 -5.815 5.185 10.469 382 2HG GLN 48 3HG GLN 48 -7.566 5.301 10.626 383 1HE2 GLN 48 2HE2 GLN 48 -5.247 6.564 12.242 384 2HE2 GLN 48 1HE2 GLN 48 -5.708 6.232 13.898 385 HA PRO 49 HA PRO 49 -4.428 -0.966 11.768 386 1HB PRO 49 2HB PRO 49 -3.477 -0.484 14.273 387 2HB PRO 49 3HB PRO 49 -2.479 -0.266 12.823 388 1HG PRO 49 2HG PRO 49 -4.004 1.858 14.347 389 2HG PRO 49 3HG PRO 49 -2.306 1.912 13.796 390 1HD PRO 49 2HD PRO 49 -4.344 3.076 12.414 391 2HD PRO 49 3HD PRO 49 -2.952 2.328 11.573 392 H HIS 50 HN HIS 50 -6.823 -0.737 11.479 393 HA HIS 50 HA HIS 50 -8.114 -1.366 14.078 394 1HB HIS 50 2HB HIS 50 -8.894 0.901 12.277 395 2HB HIS 50 3HB HIS 50 -10.206 -0.180 12.747 396 HD1 HIS 50 1HD HIS 50 -7.313 1.049 15.016 397 HD2 HIS 50 2HD HIS 50 -11.505 0.920 14.660 398 HE1 HIS 50 1HE HIS 50 -8.270 2.006 17.191 399 H LEU 51 HN LEU 51 -8.861 -1.102 10.558 400 HA LEU 51 HA LEU 51 -10.194 -3.721 10.699 401 1HB LEU 51 2HB LEU 51 -9.842 -1.664 8.540 402 2HB LEU 51 3HB LEU 51 -10.605 -3.232 8.240 403 HG LEU 51 HG LEU 51 -11.577 -1.384 10.441 404 1HD1 LEU 51 1HD1 LEU 51 -12.499 -1.504 7.531 405 2HD1 LEU 51 2HD1 LEU 51 -13.326 -0.619 8.831 406 3HD1 LEU 51 3HD1 LEU 51 -11.701 -0.129 8.330 407 1HD2 LEU 51 1HD2 LEU 51 -12.905 -3.665 8.908 408 2HD2 LEU 51 2HD2 LEU 51 -12.390 -3.706 10.605 409 3HD2 LEU 51 3HD2 LEU 51 -13.705 -2.637 10.112 410 H ILE 52 HN ILE 52 -6.969 -2.456 9.846 411 HA ILE 52 HA ILE 52 -6.303 -5.102 8.733 412 HB ILE 52 HB ILE 52 -6.550 -3.285 7.068 413 1HG1 ILE 52 2HG1 ILE 52 -4.458 -3.708 5.949 414 2HG1 ILE 52 3HG1 ILE 52 -3.710 -4.368 7.417 415 1HG2 ILE 52 1HG2 ILE 52 -4.129 -2.119 8.448 416 2HG2 ILE 52 2HG2 ILE 52 -4.891 -1.533 6.950 417 3HG2 ILE 52 3HG2 ILE 52 -5.784 -1.467 8.478 418 1HD1 ILE 52 1HD1 ILE 52 -6.281 -5.447 6.228 419 2HD1 ILE 52 2HD1 ILE 52 -4.690 -5.962 5.612 420 3HD1 ILE 52 3HD1 ILE 52 -5.138 -6.289 7.308 421 H SER 53 HN SER 53 -4.396 -6.053 9.459 422 HA SER 53 HA SER 53 -3.461 -5.119 11.994 423 1HB SER 53 2HB SER 53 -2.382 -7.207 10.225 424 2HB SER 53 3HB SER 53 -1.980 -7.020 11.943 425 HG SER 53 HG SER 53 -4.337 -7.948 10.750 426 H VAL 54 HN VAL 54 -2.936 -3.261 9.922 427 HA VAL 54 HA VAL 54 -1.523 -1.710 9.246 428 HB VAL 54 HB VAL 54 -0.793 -2.240 11.867 429 1HG1 VAL 54 1HG1 VAL 54 1.700 -1.867 10.173 430 2HG1 VAL 54 2HG1 VAL 54 1.615 -1.716 11.939 431 3HG1 VAL 54 3HG1 VAL 54 1.339 -3.292 11.185 432 1HG2 VAL 54 1HG2 VAL 54 -0.019 0.082 11.794 433 2HG2 VAL 54 2HG2 VAL 54 0.081 -0.022 10.023 434 3HG2 VAL 54 3HG2 VAL 54 -1.497 -0.106 10.822 435 H GLU 55 HN GLU 55 0.327 -4.608 9.771 436 HA GLU 55 HA GLU 55 2.070 -4.233 7.497 437 1HB GLU 55 2HB GLU 55 2.081 -5.664 9.978 438 2HB GLU 55 3HB GLU 55 2.011 -6.883 8.718 439 1HG GLU 55 2HG GLU 55 4.321 -6.491 9.137 440 2HG GLU 55 3HG GLU 55 3.993 -5.623 7.630 441 H GLU 56 HN GLU 56 -0.746 -6.327 8.356 442 HA GLU 56 HA GLU 56 -0.706 -8.206 6.318 443 1HB GLU 56 2HB GLU 56 -2.893 -6.724 7.784 444 2HB GLU 56 3HB GLU 56 -3.322 -7.635 6.334 445 1HG GLU 56 2HG GLU 56 -2.410 -9.675 7.216 446 2HG GLU 56 3HG GLU 56 -2.033 -8.871 8.754 447 H MET 57 HN MET 57 -2.225 -5.018 6.173 448 HA MET 57 HA MET 57 -3.134 -4.604 3.795 449 1HB MET 57 2HB MET 57 -2.288 -3.060 5.892 450 2HB MET 57 3HB MET 57 -1.077 -2.606 4.756 451 1HG MET 57 2HG MET 57 -4.011 -2.555 3.999 452 2HG MET 57 3HG MET 57 -3.355 -1.356 5.074 453 1HE MET 57 1HE MET 57 -2.800 -1.463 0.583 454 2HE MET 57 2HE MET 57 -1.812 -2.675 1.383 455 3HE MET 57 3HE MET 57 -3.595 -2.702 1.566 456 H LYS 58 HN LYS 58 0.403 -4.475 4.423 457 HA LYS 58 HA LYS 58 0.976 -4.258 1.543 458 1HB LYS 58 2HB LYS 58 2.314 -3.334 3.937 459 2HB LYS 58 3HB LYS 58 3.302 -4.602 3.265 460 1HG LYS 58 2HG LYS 58 3.967 -2.501 2.243 461 2HG LYS 58 3HG LYS 58 3.250 -3.553 1.035 462 1HD LYS 58 2HD LYS 58 2.514 -1.312 0.747 463 2HD LYS 58 3HD LYS 58 1.093 -2.223 1.121 464 1HE LYS 58 2HE LYS 58 2.660 -0.735 3.258 465 2HE LYS 58 3HE LYS 58 1.503 0.090 2.210 466 1HZ LYS 58 1HZ LYS 58 0.763 -2.218 3.854 467 2HZ LYS 58 2HZ LYS 58 0.617 -0.685 4.397 468 3HZ LYS 58 3HZ LYS 58 -0.262 -1.182 3.101 469 H LYS 59 HN LYS 59 1.436 -6.550 4.217 470 HA LYS 59 HA LYS 59 3.041 -8.299 2.652 471 1HB LYS 59 2HB LYS 59 1.512 -8.545 5.222 472 2HB LYS 59 3HB LYS 59 2.078 -10.015 4.419 473 1HG LYS 59 2HG LYS 59 3.714 -9.202 6.040 474 2HG LYS 59 3HG LYS 59 4.356 -9.284 4.398 475 1HD LYS 59 2HD LYS 59 4.147 -6.771 4.187 476 2HD LYS 59 3HD LYS 59 3.392 -6.742 5.780 477 1HE LYS 59 2HE LYS 59 5.653 -6.131 6.172 478 2HE LYS 59 3HE LYS 59 5.575 -7.825 6.676 479 1HZ LYS 59 1HZ LYS 59 6.549 -6.758 4.095 480 2HZ LYS 59 2HZ LYS 59 7.508 -7.442 5.268 481 3HZ LYS 59 3HZ LYS 59 6.424 -8.299 4.332 482 H GLN 60 HN GLN 60 -0.381 -7.685 2.436 483 HA GLN 60 HA GLN 60 -1.074 -10.129 1.107 484 1HB GLN 60 2HB GLN 60 -3.104 -9.269 0.876 485 2HB GLN 60 3HB GLN 60 -2.550 -8.056 2.028 486 1HG GLN 60 2HG GLN 60 -1.892 -6.624 0.056 487 2HG GLN 60 3HG GLN 60 -2.596 -7.847 -1.017 488 1HE2 GLN 60 2HE2 GLN 60 -3.219 -5.467 1.493 489 2HE2 GLN 60 1HE2 GLN 60 -4.939 -5.251 1.140 490 H ILE 61 HN ILE 61 0.387 -7.089 0.064 491 HA ILE 61 HA ILE 61 0.197 -7.607 -2.768 492 HB ILE 61 HB ILE 61 1.799 -5.645 -1.159 493 1HG1 ILE 61 2HG1 ILE 61 0.297 -4.252 -3.051 494 2HG1 ILE 61 3HG1 ILE 61 -0.761 -5.625 -2.715 495 1HG2 ILE 61 1HG2 ILE 61 2.537 -4.648 -3.319 496 2HG2 ILE 61 2HG2 ILE 61 3.194 -6.272 -3.134 497 3HG2 ILE 61 3HG2 ILE 61 1.799 -6.005 -4.197 498 1HD1 ILE 61 1HD1 ILE 61 0.425 -3.637 -0.751 499 2HD1 ILE 61 2HD1 ILE 61 -1.294 -3.882 -1.145 500 3HD1 ILE 61 3HD1 ILE 61 -0.385 -5.142 -0.272 501 H GLU 62 HN GLU 62 2.652 -7.967 -0.204 502 HA GLU 62 HA GLU 62 4.818 -8.929 -1.779 503 1HB GLU 62 2HB GLU 62 4.096 -9.604 1.104 504 2HB GLU 62 3HB GLU 62 5.660 -9.853 0.332 505 1HG GLU 62 2HG GLU 62 5.935 -7.457 -0.042 506 2HG GLU 62 3HG GLU 62 4.339 -7.102 0.634 507 H ALA 63 HN ALA 63 2.197 -10.590 -0.021 508 HA ALA 63 HA ALA 63 2.755 -13.237 -0.747 509 1HB ALA 63 1HB ALA 63 0.136 -11.894 -0.013 510 2HB ALA 63 2HB ALA 63 0.427 -13.649 -0.008 511 3HB ALA 63 3HB ALA 63 1.322 -12.588 1.104 512 H MET 64 HN MET 64 1.283 -10.720 -2.823 513 HA MET 64 HA MET 64 0.055 -12.594 -4.653 514 1HB MET 64 2HB MET 64 1.256 -9.859 -5.268 515 2HB MET 64 3HB MET 64 0.168 -10.801 -6.279 516 1HG MET 64 2HG MET 64 -0.512 -9.614 -3.595 517 2HG MET 64 3HG MET 64 -1.016 -8.982 -5.148 518 1HE MET 64 1HE MET 64 -3.382 -8.832 -3.849 519 2HE MET 64 2HE MET 64 -4.262 -10.275 -3.269 520 3HE MET 64 3HE MET 64 -2.776 -9.756 -2.449 521 H GLY 65 HN GLY 65 3.350 -11.582 -3.937 522 1HA GLY 65 1HA GLY 65 4.984 -13.328 -4.629 523 2HA GLY 65 2HA GLY 65 4.424 -13.094 -6.293 524 H PHE 66 HN PHE 66 4.025 -10.141 -5.847 525 HA PHE 66 HA PHE 66 6.626 -9.460 -6.849 526 1HB PHE 66 2HB PHE 66 4.348 -7.604 -6.102 527 2HB PHE 66 3HB PHE 66 5.712 -7.220 -7.149 528 HD1 PHE 66 1HD PHE 66 2.349 -7.774 -7.358 529 HD2 PHE 66 2HD PHE 66 6.001 -9.375 -9.021 530 HE1 PHE 66 1HE PHE 66 1.079 -8.744 -9.251 531 HE2 PHE 66 2HE PHE 66 4.706 -10.506 -10.774 532 HZ PHE 66 HZ PHE 66 2.235 -10.190 -10.916 533 HA PRO 67 HA PRO 67 8.177 -8.566 -2.723 534 1HB PRO 67 2HB PRO 67 10.576 -7.352 -3.328 535 2HB PRO 67 3HB PRO 67 10.297 -9.107 -3.516 536 1HG PRO 67 2HG PRO 67 10.110 -6.973 -5.652 537 2HG PRO 67 3HG PRO 67 10.980 -8.530 -5.741 538 1HD PRO 67 2HD PRO 67 8.493 -8.203 -6.783 539 2HD PRO 67 3HD PRO 67 8.938 -9.738 -5.972 540 H ALA 68 HN ALA 68 7.093 -7.065 -1.612 541 HA ALA 68 HA ALA 68 7.367 -4.200 -2.395 542 1HB ALA 68 1HB ALA 68 5.140 -5.009 -2.920 543 2HB ALA 68 2HB ALA 68 4.951 -5.679 -1.288 544 3HB ALA 68 3HB ALA 68 5.056 -3.914 -1.521 545 H PHE 69 HN PHE 69 6.804 -2.856 -0.383 546 HA PHE 69 HA PHE 69 7.705 -4.062 2.136 547 1HB PHE 69 2HB PHE 69 9.623 -2.992 0.318 548 2HB PHE 69 3HB PHE 69 9.441 -1.766 1.551 549 HD1 PHE 69 1HD PHE 69 9.551 -2.599 4.071 550 HD2 PHE 69 2HD PHE 69 11.051 -4.834 0.694 551 HE1 PHE 69 1HE PHE 69 11.055 -3.868 5.571 552 HE2 PHE 69 2HE PHE 69 12.610 -6.039 2.191 553 HZ PHE 69 HZ PHE 69 12.612 -5.568 4.634 554 H VAL 70 HN VAL 70 6.850 -3.112 3.818 555 HA VAL 70 HA VAL 70 5.422 -0.565 3.584 556 HB VAL 70 HB VAL 70 4.015 -1.950 4.606 557 1HG1 VAL 70 1HG1 VAL 70 5.326 -3.866 4.821 558 2HG1 VAL 70 2HG1 VAL 70 6.354 -3.114 6.077 559 3HG1 VAL 70 3HG1 VAL 70 4.650 -3.527 6.423 560 1HG2 VAL 70 1HG2 VAL 70 3.737 -1.309 6.895 561 2HG2 VAL 70 2HG2 VAL 70 5.435 -0.838 7.048 562 3HG2 VAL 70 3HG2 VAL 70 4.337 0.097 6.004 563 H LYS 71 HN LYS 71 6.184 1.305 4.488 564 HA LYS 71 HA LYS 71 8.808 1.332 5.839 565 1HB LYS 71 2HB LYS 71 7.000 3.594 5.002 566 2HB LYS 71 3HB LYS 71 8.559 3.753 5.822 567 1HG LYS 71 2HG LYS 71 9.542 2.271 3.894 568 2HG LYS 71 3HG LYS 71 7.975 2.465 3.123 569 1HD LYS 71 2HD LYS 71 9.089 4.134 2.094 570 2HD LYS 71 3HD LYS 71 8.383 5.033 3.436 571 1HE LYS 71 2HE LYS 71 11.247 3.925 3.241 572 2HE LYS 71 3HE LYS 71 10.783 5.611 2.990 573 1HZ LYS 71 1HZ LYS 71 10.552 4.124 5.516 574 2HZ LYS 71 2HZ LYS 71 11.657 5.288 5.172 575 3HZ LYS 71 3HZ LYS 71 10.065 5.682 5.293 576 H LYS 72 HN LYS 72 6.390 3.616 7.047 577 HA LYS 72 HA LYS 72 5.715 2.037 9.393 578 1HB LYS 72 2HB LYS 72 7.455 4.546 9.599 579 2HB LYS 72 3HB LYS 72 6.418 3.951 10.898 580 1HG LYS 72 2HG LYS 72 7.680 1.737 10.783 581 2HG LYS 72 3HG LYS 72 8.865 2.576 9.759 582 1HD LYS 72 2HD LYS 72 9.059 4.353 11.551 583 2HD LYS 72 3HD LYS 72 7.934 3.417 12.554 584 1HE LYS 72 2HE LYS 72 9.558 1.494 12.521 585 2HE LYS 72 3HE LYS 72 10.700 2.511 11.622 586 1HZ LYS 72 1HZ LYS 72 9.649 3.065 14.325 587 2HZ LYS 72 2HZ LYS 72 11.164 2.534 13.967 588 3HZ LYS 72 3HZ LYS 72 10.688 4.037 13.500 589 H ILE 73 HN ILE 73 3.789 2.785 10.269 590 HA ILE 73 HA ILE 73 2.490 5.177 9.169 591 HB ILE 73 HB ILE 73 1.759 3.566 7.785 592 1HG1 ILE 73 2HG1 ILE 73 0.029 4.891 8.867 593 2HG1 ILE 73 3HG1 ILE 73 -0.426 3.510 7.869 594 1HG2 ILE 73 1HG2 ILE 73 2.684 1.610 8.608 595 2HG2 ILE 73 2HG2 ILE 73 1.616 1.621 10.025 596 3HG2 ILE 73 3HG2 ILE 73 0.957 1.333 8.384 597 1HD1 ILE 73 1HD1 ILE 73 -0.439 3.501 10.900 598 2HD1 ILE 73 2HD1 ILE 73 -1.840 3.577 9.811 599 3HD1 ILE 73 3HD1 ILE 73 -0.803 2.140 9.818 600 H GLU 74 HN GLU 74 1.491 6.287 11.018 601 HA GLU 74 HA GLU 74 0.366 4.722 13.145 602 1HB GLU 74 2HB GLU 74 1.747 5.976 14.938 603 2HB GLU 74 3HB GLU 74 2.646 4.731 14.064 604 1HG GLU 74 2HG GLU 74 3.756 6.389 12.677 605 2HG GLU 74 3HG GLU 74 2.716 7.684 13.297 606 H GLY 75 HN GLY 75 -0.835 6.074 14.712 607 1HA GLY 75 1HA GLY 75 -1.179 8.859 14.338 608 2HA GLY 75 2HA GLY 75 -2.464 7.968 13.484 609 H ARG 76 HN ARG 76 -3.657 9.209 15.240 610 HA ARG 76 HA ARG 76 -3.817 7.907 17.875 611 1HB ARG 76 2HB ARG 76 -5.727 9.333 18.233 612 2HB ARG 76 3HB ARG 76 -4.317 10.295 17.806 613 1HG ARG 76 2HG ARG 76 -6.484 9.516 15.778 614 2HG ARG 76 3HG ARG 76 -6.626 10.902 16.836 615 1HD ARG 76 2HD ARG 76 -4.126 11.401 15.747 616 2HD ARG 76 3HD ARG 76 -4.892 10.494 14.439 617 HE ARG 76 HE ARG 76 -6.141 12.286 13.911 618 1HH1 ARG 76 1HH2 ARG 76 -5.185 12.591 17.267 619 2HH1 ARG 76 2HH2 ARG 76 -5.767 14.214 17.493 620 1HH2 ARG 76 1HH1 ARG 76 -6.963 14.453 14.131 621 2HH2 ARG 76 2HH1 ARG 76 -6.835 15.285 15.645 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -6.949 9.424 13.098 2 2H GLY 1 2H GLY 1 -8.302 9.114 14.004 3 3H GLY 1 3H GLY 1 -7.242 7.936 13.659 4 1HA GLY 1 1HA GLY 1 -9.113 7.667 12.186 5 2HA GLY 1 2HA GLY 1 -8.934 9.366 11.688 6 H GLU 2 HN GLU 2 -8.882 8.037 9.524 7 HA GLU 2 HA GLU 2 -6.908 6.340 8.681 8 1HB GLU 2 2HB GLU 2 -7.462 7.048 6.453 9 2HB GLU 2 3HB GLU 2 -8.910 6.939 7.441 10 1HG GLU 2 2HG GLU 2 -8.809 9.460 7.770 11 2HG GLU 2 3HG GLU 2 -7.469 9.494 6.610 12 H VAL 3 HN VAL 3 -4.757 6.430 8.076 13 HA VAL 3 HA VAL 3 -3.424 9.071 8.107 14 HB VAL 3 HB VAL 3 -3.311 7.619 10.296 15 1HG1 VAL 3 1HG1 VAL 3 -1.028 6.559 8.660 16 2HG1 VAL 3 2HG1 VAL 3 -1.433 6.141 10.342 17 3HG1 VAL 3 3HG1 VAL 3 -2.514 5.642 9.021 18 1HG2 VAL 3 1HG2 VAL 3 -2.177 9.813 9.842 19 2HG2 VAL 3 2HG2 VAL 3 -1.108 8.700 10.686 20 3HG2 VAL 3 3HG2 VAL 3 -0.897 8.949 8.953 21 H VAL 4 HN VAL 4 -1.640 9.302 6.836 22 HA VAL 4 HA VAL 4 -1.624 7.681 4.470 23 HB VAL 4 HB VAL 4 -0.119 10.154 5.418 24 1HG1 VAL 4 1HG1 VAL 4 0.562 10.359 3.015 25 2HG1 VAL 4 2HG1 VAL 4 1.329 9.014 3.874 26 3HG1 VAL 4 3HG1 VAL 4 -0.037 8.695 2.770 27 1HG2 VAL 4 1HG2 VAL 4 -2.323 9.745 3.338 28 2HG2 VAL 4 2HG2 VAL 4 -2.547 10.484 4.937 29 3HG2 VAL 4 3HG2 VAL 4 -1.535 11.286 3.729 30 H LEU 5 HN LEU 5 -0.023 6.309 3.845 31 HA LEU 5 HA LEU 5 2.327 5.742 5.591 32 1HB LEU 5 2HB LEU 5 0.676 4.087 6.064 33 2HB LEU 5 3HB LEU 5 0.190 3.967 4.393 34 HG LEU 5 HG LEU 5 1.438 2.008 5.356 35 1HD1 LEU 5 1HD1 LEU 5 1.033 2.410 2.923 36 2HD1 LEU 5 2HD1 LEU 5 2.671 3.034 2.794 37 3HD1 LEU 5 3HD1 LEU 5 2.427 1.389 3.340 38 1HD2 LEU 5 1HD2 LEU 5 3.363 2.362 6.418 39 2HD2 LEU 5 2HD2 LEU 5 4.068 2.379 4.813 40 3HD2 LEU 5 3HD2 LEU 5 3.678 3.900 5.622 41 H LYS 6 HN LYS 6 4.164 5.299 4.346 42 HA LYS 6 HA LYS 6 3.886 5.447 1.393 43 1HB LYS 6 2HB LYS 6 5.043 7.322 2.576 44 2HB LYS 6 3HB LYS 6 6.320 6.181 3.039 45 1HG LYS 6 2HG LYS 6 7.240 6.266 0.963 46 2HG LYS 6 3HG LYS 6 5.700 5.928 0.193 47 1HD LYS 6 2HD LYS 6 6.238 7.916 -0.731 48 2HD LYS 6 3HD LYS 6 5.077 8.402 0.490 49 1HE LYS 6 2HE LYS 6 8.145 8.491 0.747 50 2HE LYS 6 3HE LYS 6 7.149 9.871 0.288 51 1HZ LYS 6 1HZ LYS 6 6.946 8.446 2.847 52 2HZ LYS 6 2HZ LYS 6 7.730 9.878 2.619 53 3HZ LYS 6 3HZ LYS 6 6.098 9.792 2.420 54 H MET 7 HN MET 7 4.428 3.534 0.337 55 HA MET 7 HA MET 7 6.039 1.470 1.775 56 1HB MET 7 2HB MET 7 4.731 -0.245 0.795 57 2HB MET 7 3HB MET 7 3.624 0.874 1.575 58 1HG MET 7 2HG MET 7 2.937 1.770 -0.505 59 2HG MET 7 3HG MET 7 4.226 0.956 -1.408 60 1HE MET 7 1HE MET 7 3.020 -2.800 -1.288 61 2HE MET 7 2HE MET 7 3.827 -1.794 -2.481 62 3HE MET 7 3HE MET 7 4.430 -1.821 -0.808 63 H LYS 8 HN LYS 8 7.271 0.101 0.414 64 HA LYS 8 HA LYS 8 8.229 1.413 -2.078 65 1HB LYS 8 2HB LYS 8 9.559 0.079 0.123 66 2HB LYS 8 3HB LYS 8 9.789 -0.900 -1.321 67 1HG LYS 8 2HG LYS 8 10.456 2.049 -0.979 68 2HG LYS 8 3HG LYS 8 11.589 0.676 -1.026 69 1HD LYS 8 2HD LYS 8 10.325 0.252 -3.401 70 2HD LYS 8 3HD LYS 8 10.095 1.998 -3.289 71 1HE LYS 8 2HE LYS 8 12.765 0.519 -3.151 72 2HE LYS 8 3HE LYS 8 12.096 1.298 -4.592 73 1HZ LYS 8 1HZ LYS 8 12.822 2.690 -2.120 74 2HZ LYS 8 2HZ LYS 8 13.681 2.658 -3.527 75 3HZ LYS 8 3HZ LYS 8 12.206 3.388 -3.487 76 H VAL 9 HN VAL 9 7.838 0.408 -4.025 77 HA VAL 9 HA VAL 9 6.356 -2.189 -3.965 78 HB VAL 9 HB VAL 9 5.995 -0.052 -6.089 79 1HG1 VAL 9 1HG1 VAL 9 3.880 -1.221 -6.404 80 2HG1 VAL 9 2HG1 VAL 9 5.198 -2.408 -6.416 81 3HG1 VAL 9 3HG1 VAL 9 4.173 -2.238 -4.977 82 1HG2 VAL 9 1HG2 VAL 9 5.396 1.269 -4.268 83 2HG2 VAL 9 2HG2 VAL 9 3.866 0.509 -4.756 84 3HG2 VAL 9 3HG2 VAL 9 4.750 -0.096 -3.351 85 H GLU 10 HN GLU 10 8.777 -2.868 -3.973 86 HA GLU 10 HA GLU 10 10.263 -2.379 -6.380 87 1HB GLU 10 2HB GLU 10 10.613 -4.529 -4.285 88 2HB GLU 10 3HB GLU 10 11.792 -4.122 -5.538 89 1HG GLU 10 2HG GLU 10 10.827 -2.109 -3.451 90 2HG GLU 10 3HG GLU 10 12.237 -3.147 -3.292 91 H GLY 11 HN GLY 11 11.051 -4.129 -7.816 92 1HA GLY 11 1HA GLY 11 10.799 -5.953 -9.184 93 2HA GLY 11 2HA GLY 11 9.465 -6.521 -8.180 94 H MET 12 HN MET 12 7.643 -4.356 -8.441 95 HA MET 12 HA MET 12 6.406 -4.924 -10.944 96 1HB MET 12 2HB MET 12 5.984 -2.572 -9.054 97 2HB MET 12 3HB MET 12 4.952 -2.980 -10.435 98 1HG MET 12 2HG MET 12 4.579 -5.250 -9.410 99 2HG MET 12 3HG MET 12 5.456 -4.680 -7.978 100 1HE MET 12 1HE MET 12 2.646 -5.955 -7.670 101 2HE MET 12 2HE MET 12 3.618 -5.233 -6.354 102 3HE MET 12 3HE MET 12 1.920 -4.776 -6.549 103 H THR 13 HN THR 13 7.263 -4.438 -12.869 104 HA THR 13 HA THR 13 8.503 -1.768 -13.308 105 HB THR 13 HB THR 13 10.153 -3.485 -13.448 106 HG1 THR 13 1HG THR 13 9.514 -2.649 -16.076 107 1HG2 THR 13 1HG2 THR 13 8.413 -4.715 -15.618 108 2HG2 THR 13 2HG2 THR 13 10.079 -5.195 -15.219 109 3HG2 THR 13 3HG2 THR 13 8.786 -5.419 -14.029 110 H CYS 14 HN CYS 14 7.923 -0.692 -15.153 111 HA CYS 14 HA CYS 14 6.549 0.195 -16.666 112 1HB CYS 14 2HB CYS 14 6.265 -2.717 -17.402 113 2HB CYS 14 3HB CYS 14 5.254 -1.505 -18.195 114 HG CYS 14 HG CYS 14 7.259 -2.020 -19.716 115 H HIS 15 HN HIS 15 4.311 0.592 -17.378 116 HA HIS 15 HA HIS 15 2.458 0.464 -15.105 117 1HB HIS 15 2HB HIS 15 2.596 1.955 -17.698 118 2HB HIS 15 3HB HIS 15 0.986 1.569 -17.095 119 HD1 HIS 15 1HD HIS 15 3.619 4.127 -16.489 120 HD2 HIS 15 2HD HIS 15 0.476 2.231 -14.422 121 HE1 HIS 15 1HE HIS 15 3.109 5.568 -14.446 122 H SER 16 HN SER 16 2.761 -1.834 -15.166 123 HA SER 16 HA SER 16 0.733 -3.278 -16.857 124 1HB SER 16 2HB SER 16 3.329 -4.126 -15.494 125 2HB SER 16 3HB SER 16 2.137 -5.276 -16.159 126 HG SER 16 HG SER 16 3.660 -4.836 -17.745 127 H CYS 17 HN CYS 17 2.310 -3.205 -13.644 128 HA CYS 17 HA CYS 17 0.039 -4.647 -12.420 129 1HB CYS 17 2HB CYS 17 2.868 -3.950 -11.570 130 2HB CYS 17 3HB CYS 17 1.650 -4.490 -10.401 131 HG CYS 17 HG CYS 17 3.154 -6.476 -11.043 132 H THR 18 HN THR 18 1.691 -2.410 -10.429 133 HA THR 18 HA THR 18 0.655 -0.994 -8.944 134 HB THR 18 HB THR 18 0.857 1.273 -9.884 135 HG1 THR 18 1HG THR 18 1.366 1.506 -12.069 136 1HG2 THR 18 1HG2 THR 18 3.106 -0.439 -11.023 137 2HG2 THR 18 2HG2 THR 18 3.178 1.153 -10.226 138 3HG2 THR 18 3HG2 THR 18 2.863 -0.294 -9.273 139 H SER 19 HN SER 19 -0.997 0.485 -11.678 140 HA SER 19 HA SER 19 -3.297 1.116 -10.263 141 1HB SER 19 2HB SER 19 -2.729 2.039 -12.473 142 2HB SER 19 3HB SER 19 -3.106 0.472 -13.235 143 HG SER 19 HG SER 19 -4.809 2.143 -13.247 144 H THR 20 HN THR 20 -2.780 -1.954 -11.855 145 HA THR 20 HA THR 20 -5.278 -3.151 -11.303 146 HB THR 20 HB THR 20 -2.402 -4.194 -11.292 147 HG1 THR 20 1HG THR 20 -2.726 -4.297 -13.366 148 1HG2 THR 20 1HG2 THR 20 -5.033 -5.643 -11.085 149 2HG2 THR 20 2HG2 THR 20 -3.504 -6.431 -11.589 150 3HG2 THR 20 3HG2 THR 20 -3.644 -5.708 -9.970 151 H ILE 21 HN ILE 21 -2.327 -2.974 -9.221 152 HA ILE 21 HA ILE 21 -3.546 -4.204 -6.939 153 HB ILE 21 HB ILE 21 -0.993 -2.644 -7.492 154 1HG1 ILE 21 2HG1 ILE 21 -0.231 -4.908 -6.358 155 2HG1 ILE 21 3HG1 ILE 21 -1.787 -5.504 -6.881 156 1HG2 ILE 21 1HG2 ILE 21 -1.822 -3.553 -4.752 157 2HG2 ILE 21 2HG2 ILE 21 -0.242 -2.907 -5.276 158 3HG2 ILE 21 3HG2 ILE 21 -1.650 -1.856 -5.294 159 1HD1 ILE 21 1HD1 ILE 21 0.300 -4.162 -8.638 160 2HD1 ILE 21 2HD1 ILE 21 0.067 -5.920 -8.508 161 3HD1 ILE 21 3HD1 ILE 21 -1.203 -4.913 -9.228 162 H GLU 22 HN GLU 22 -3.143 -0.758 -7.980 163 HA GLU 22 HA GLU 22 -4.043 0.392 -5.607 164 1HB GLU 22 2HB GLU 22 -4.576 1.417 -8.437 165 2HB GLU 22 3HB GLU 22 -4.662 2.348 -6.957 166 1HG GLU 22 2HG GLU 22 -2.234 1.828 -6.544 167 2HG GLU 22 3HG GLU 22 -2.156 1.072 -8.118 168 H GLY 23 HN GLY 23 -5.966 -0.077 -8.477 169 1HA GLY 23 1HA GLY 23 -8.574 0.263 -7.622 170 2HA GLY 23 2HA GLY 23 -8.102 -0.894 -8.881 171 H LYS 24 HN LYS 24 -6.828 -2.934 -7.640 172 HA LYS 24 HA LYS 24 -8.910 -4.404 -6.407 173 1HB LYS 24 2HB LYS 24 -6.953 -5.434 -7.511 174 2HB LYS 24 3HB LYS 24 -5.902 -4.789 -6.238 175 1HG LYS 24 2HG LYS 24 -7.228 -6.138 -4.555 176 2HG LYS 24 3HG LYS 24 -8.114 -6.870 -5.904 177 1HD LYS 24 2HD LYS 24 -6.256 -8.144 -6.573 178 2HD LYS 24 3HD LYS 24 -5.116 -6.904 -6.065 179 1HE LYS 24 2HE LYS 24 -4.783 -8.759 -4.601 180 2HE LYS 24 3HE LYS 24 -5.485 -7.435 -3.677 181 1HZ LYS 24 1HZ LYS 24 -6.906 -9.815 -4.687 182 2HZ LYS 24 2HZ LYS 24 -6.502 -9.499 -3.127 183 3HZ LYS 24 3HZ LYS 24 -7.629 -8.571 -3.883 184 H ILE 25 HN ILE 25 -6.073 -2.759 -4.883 185 HA ILE 25 HA ILE 25 -6.684 -3.576 -2.272 186 HB ILE 25 HB ILE 25 -4.931 -1.476 -3.505 187 1HG1 ILE 25 2HG1 ILE 25 -4.186 -3.773 -3.850 188 2HG1 ILE 25 3HG1 ILE 25 -3.077 -2.779 -2.900 189 1HG2 ILE 25 1HG2 ILE 25 -5.217 -1.928 -0.564 190 2HG2 ILE 25 2HG2 ILE 25 -3.843 -1.111 -1.356 191 3HG2 ILE 25 3HG2 ILE 25 -5.459 -0.435 -1.507 192 1HD1 ILE 25 1HD1 ILE 25 -5.008 -4.895 -1.939 193 2HD1 ILE 25 2HD1 ILE 25 -3.238 -4.976 -1.933 194 3HD1 ILE 25 3HD1 ILE 25 -4.074 -3.831 -0.854 195 H GLY 26 HN GLY 26 -7.797 -0.858 -4.218 196 1HA GLY 26 1HA GLY 26 -9.091 0.720 -2.323 197 2HA GLY 26 2HA GLY 26 -9.693 0.376 -3.951 198 H LYS 27 HN LYS 27 -9.879 -2.714 -3.001 199 HA LYS 27 HA LYS 27 -12.608 -2.425 -1.921 200 1HB LYS 27 2HB LYS 27 -11.041 -4.545 -3.327 201 2HB LYS 27 3HB LYS 27 -12.340 -5.013 -2.269 202 1HG LYS 27 2HG LYS 27 -12.782 -2.831 -4.338 203 2HG LYS 27 3HG LYS 27 -12.776 -4.535 -4.780 204 1HD LYS 27 2HD LYS 27 -14.542 -4.943 -2.956 205 2HD LYS 27 3HD LYS 27 -14.619 -3.196 -2.748 206 1HE LYS 27 2HE LYS 27 -16.452 -3.835 -4.147 207 2HE LYS 27 3HE LYS 27 -15.298 -2.954 -5.157 208 1HZ LYS 27 1HZ LYS 27 -15.583 -5.893 -5.020 209 2HZ LYS 27 2HZ LYS 27 -16.144 -4.930 -6.227 210 3HZ LYS 27 3HZ LYS 27 -14.527 -5.084 -5.990 211 H LEU 28 HN LEU 28 -9.301 -2.923 -0.729 212 HA LEU 28 HA LEU 28 -9.879 -4.928 1.092 213 1HB LEU 28 2HB LEU 28 -7.754 -2.777 1.099 214 2HB LEU 28 3HB LEU 28 -7.811 -4.127 2.216 215 HG LEU 28 HG LEU 28 -6.464 -4.034 -0.204 216 1HD1 LEU 28 1HD1 LEU 28 -5.837 -6.295 0.423 217 2HD1 LEU 28 2HD1 LEU 28 -5.863 -5.212 1.832 218 3HD1 LEU 28 3HD1 LEU 28 -7.219 -6.345 1.562 219 1HD2 LEU 28 1HD2 LEU 28 -8.508 -4.744 -1.471 220 2HD2 LEU 28 2HD2 LEU 28 -7.311 -6.038 -1.411 221 3HD2 LEU 28 3HD2 LEU 28 -8.712 -6.091 -0.326 222 H GLN 29 HN GLN 29 -10.481 -4.962 3.105 223 HA GLN 29 HA GLN 29 -11.944 -2.887 4.358 224 1HB GLN 29 2HB GLN 29 -12.065 -4.334 6.273 225 2HB GLN 29 3HB GLN 29 -12.355 -5.201 4.764 226 1HG GLN 29 2HG GLN 29 -9.655 -5.561 5.025 227 2HG GLN 29 3HG GLN 29 -10.127 -5.440 6.719 228 1HE2 GLN 29 2HE2 GLN 29 -10.003 -7.495 3.924 229 2HE2 GLN 29 1HE2 GLN 29 -10.946 -8.814 4.592 230 H GLY 30 HN GLY 30 -11.057 -0.972 4.907 231 1HA GLY 30 1HA GLY 30 -10.011 0.089 6.841 232 2HA GLY 30 2HA GLY 30 -8.598 -0.965 6.640 233 H VAL 31 HN VAL 31 -9.058 -0.483 3.504 234 HA VAL 31 HA VAL 31 -7.192 1.770 3.496 235 HB VAL 31 HB VAL 31 -8.202 -0.334 1.584 236 1HG1 VAL 31 1HG1 VAL 31 -6.824 2.231 0.712 237 2HG1 VAL 31 2HG1 VAL 31 -6.967 0.755 -0.272 238 3HG1 VAL 31 3HG1 VAL 31 -8.426 1.615 0.212 239 1HG2 VAL 31 1HG2 VAL 31 -6.186 -0.699 3.031 240 2HG2 VAL 31 2HG2 VAL 31 -5.790 -0.727 1.305 241 3HG2 VAL 31 3HG2 VAL 31 -5.413 0.709 2.272 242 H GLN 32 HN GLN 32 -7.695 3.778 3.024 243 HA GLN 32 HA GLN 32 -10.447 4.491 2.185 244 1HB GLN 32 2HB GLN 32 -8.449 5.689 3.881 245 2HB GLN 32 3HB GLN 32 -9.135 6.859 2.743 246 1HG GLN 32 2HG GLN 32 -10.884 4.999 4.403 247 2HG GLN 32 3HG GLN 32 -10.250 6.499 5.064 248 1HE2 GLN 32 2HE2 GLN 32 -11.503 8.310 4.808 249 2HE2 GLN 32 1HE2 GLN 32 -12.762 8.475 3.583 250 H ARG 33 HN ARG 33 -6.933 5.115 1.302 251 HA ARG 33 HA ARG 33 -7.800 5.139 -1.492 252 1HB ARG 33 2HB ARG 33 -7.844 7.545 -0.114 253 2HB ARG 33 3HB ARG 33 -6.212 7.577 -0.783 254 1HG ARG 33 2HG ARG 33 -7.069 7.428 -3.045 255 2HG ARG 33 3HG ARG 33 -8.688 6.980 -2.457 256 1HD ARG 33 2HD ARG 33 -8.912 9.141 -1.325 257 2HD ARG 33 3HD ARG 33 -7.350 9.677 -1.989 258 HE ARG 33 HE ARG 33 -8.798 8.869 -4.202 259 1HH1 ARG 33 1HH2 ARG 33 -9.372 11.184 -1.601 260 2HH1 ARG 33 2HH2 ARG 33 -10.493 12.162 -2.491 261 1HH2 ARG 33 1HH1 ARG 33 -10.291 10.147 -5.427 262 2HH2 ARG 33 2HH1 ARG 33 -11.008 11.563 -4.731 263 H ILE 34 HN ILE 34 -5.941 5.379 -2.984 264 HA ILE 34 HA ILE 34 -3.332 4.599 -1.913 265 HB ILE 34 HB ILE 34 -4.445 2.495 -2.103 266 1HG1 ILE 34 2HG1 ILE 34 -2.847 2.572 -4.632 267 2HG1 ILE 34 3HG1 ILE 34 -2.035 2.976 -3.129 268 1HG2 ILE 34 1HG2 ILE 34 -5.163 3.214 -4.998 269 2HG2 ILE 34 2HG2 ILE 34 -5.384 1.639 -4.271 270 3HG2 ILE 34 3HG2 ILE 34 -6.300 3.008 -3.658 271 1HD1 ILE 34 1HD1 ILE 34 -3.595 0.388 -3.491 272 2HD1 ILE 34 2HD1 ILE 34 -1.846 0.542 -3.731 273 3HD1 ILE 34 3HD1 ILE 34 -2.564 0.826 -2.137 274 H LYS 35 HN LYS 35 -1.714 5.406 -3.104 275 HA LYS 35 HA LYS 35 -2.125 6.136 -5.966 276 1HB LYS 35 2HB LYS 35 -0.804 7.842 -3.803 277 2HB LYS 35 3HB LYS 35 -0.477 7.995 -5.525 278 1HG LYS 35 2HG LYS 35 -1.956 9.659 -5.183 279 2HG LYS 35 3HG LYS 35 -2.969 8.401 -5.884 280 1HD LYS 35 2HD LYS 35 -4.101 7.990 -3.881 281 2HD LYS 35 3HD LYS 35 -2.809 8.601 -2.851 282 1HE LYS 35 2HE LYS 35 -4.480 10.348 -4.733 283 2HE LYS 35 3HE LYS 35 -4.933 10.035 -3.052 284 1HZ LYS 35 1HZ LYS 35 -2.396 11.293 -3.859 285 2HZ LYS 35 2HZ LYS 35 -3.720 12.101 -3.322 286 3HZ LYS 35 3HZ LYS 35 -2.931 11.064 -2.321 287 H VAL 36 HN VAL 36 -0.903 4.429 -6.793 288 HA VAL 36 HA VAL 36 1.808 3.907 -5.632 289 HB VAL 36 HB VAL 36 0.126 2.284 -7.565 290 1HG1 VAL 36 1HG1 VAL 36 2.926 1.813 -6.468 291 2HG1 VAL 36 2HG1 VAL 36 1.937 0.554 -7.240 292 3HG1 VAL 36 3HG1 VAL 36 2.452 1.982 -8.157 293 1HG2 VAL 36 1HG2 VAL 36 -0.181 0.688 -5.849 294 2HG2 VAL 36 2HG2 VAL 36 1.068 1.384 -4.822 295 3HG2 VAL 36 3HG2 VAL 36 -0.468 2.237 -5.030 296 H SER 37 HN SER 37 3.631 4.754 -6.647 297 HA SER 37 HA SER 37 3.331 5.721 -9.427 298 1HB SER 37 2HB SER 37 4.687 6.599 -6.877 299 2HB SER 37 3HB SER 37 5.383 6.952 -8.432 300 HG SER 37 HG SER 37 3.963 8.627 -7.869 301 H LEU 38 HN LEU 38 3.922 3.734 -10.504 302 HA LEU 38 HA LEU 38 6.073 2.037 -10.041 303 1HB LEU 38 2HB LEU 38 4.620 1.470 -11.755 304 2HB LEU 38 3HB LEU 38 4.533 3.097 -12.410 305 HG LEU 38 HG LEU 38 5.411 1.438 -13.799 306 1HD1 LEU 38 1HD1 LEU 38 7.688 3.376 -13.423 307 2HD1 LEU 38 2HD1 LEU 38 7.051 2.654 -14.903 308 3HD1 LEU 38 3HD1 LEU 38 6.082 3.857 -14.034 309 1HD2 LEU 38 1HD2 LEU 38 6.626 -0.052 -12.350 310 2HD2 LEU 38 2HD2 LEU 38 7.780 0.588 -13.541 311 3HD2 LEU 38 3HD2 LEU 38 7.785 1.211 -11.894 312 H ASP 39 HN ASP 39 6.053 5.221 -11.780 313 HA ASP 39 HA ASP 39 8.621 5.600 -12.470 314 1HB ASP 39 2HB ASP 39 6.926 7.649 -10.960 315 2HB ASP 39 3HB ASP 39 8.235 7.973 -12.076 316 H ASN 40 HN ASN 40 7.288 6.416 -9.272 317 HA ASN 40 HA ASN 40 9.881 7.233 -8.397 318 1HB ASN 40 2HB ASN 40 7.292 7.912 -7.597 319 2HB ASN 40 3HB ASN 40 7.907 7.034 -6.205 320 1HD2 ASN 40 2HD2 ASN 40 7.488 10.086 -7.197 321 2HD2 ASN 40 1HD2 ASN 40 8.940 10.822 -6.545 322 H GLN 41 HN GLN 41 8.139 4.308 -8.459 323 HA GLN 41 HA GLN 41 8.476 2.221 -7.809 324 1HB GLN 41 2HB GLN 41 11.030 2.952 -6.341 325 2HB GLN 41 3HB GLN 41 10.557 1.409 -7.076 326 1HG GLN 41 2HG GLN 41 10.444 2.707 -9.288 327 2HG GLN 41 3HG GLN 41 11.282 4.006 -8.440 328 1HE2 GLN 41 2HE2 GLN 41 11.788 1.233 -10.312 329 2HE2 GLN 41 1HE2 GLN 41 13.476 0.977 -9.897 330 H GLU 42 HN GLU 42 7.643 4.615 -6.025 331 HA GLU 42 HA GLU 42 7.254 3.149 -3.469 332 1HB GLU 42 2HB GLU 42 8.806 5.405 -3.772 333 2HB GLU 42 3HB GLU 42 7.246 6.150 -3.438 334 1HG GLU 42 2HG GLU 42 7.042 4.857 -1.362 335 2HG GLU 42 3HG GLU 42 8.534 3.970 -1.717 336 H ALA 43 HN ALA 43 5.260 3.703 -2.334 337 HA ALA 43 HA ALA 43 3.119 4.937 -3.998 338 1HB ALA 43 1HB ALA 43 1.587 3.128 -3.444 339 2HB ALA 43 2HB ALA 43 2.994 2.530 -4.371 340 3HB ALA 43 3HB ALA 43 2.881 2.231 -2.645 341 H THR 44 HN THR 44 1.299 5.661 -2.702 342 HA THR 44 HA THR 44 1.918 6.164 0.139 343 HB THR 44 HB THR 44 0.824 7.953 -2.068 344 HG1 THR 44 1HG THR 44 2.732 9.038 -1.771 345 1HG2 THR 44 1HG2 THR 44 1.282 8.496 0.882 346 2HG2 THR 44 2HG2 THR 44 0.789 9.709 -0.329 347 3HG2 THR 44 3HG2 THR 44 -0.307 8.372 0.082 348 H ILE 45 HN ILE 45 0.297 5.147 1.306 349 HA ILE 45 HA ILE 45 -2.352 4.744 0.012 350 HB ILE 45 HB ILE 45 -1.018 2.835 1.904 351 1HG1 ILE 45 2HG1 ILE 45 -1.565 2.497 -1.045 352 2HG1 ILE 45 3HG1 ILE 45 0.004 3.109 -0.536 353 1HG2 ILE 45 1HG2 ILE 45 -3.502 2.693 1.988 354 2HG2 ILE 45 2HG2 ILE 45 -3.578 2.765 0.218 355 3HG2 ILE 45 3HG2 ILE 45 -2.933 1.362 1.008 356 1HD1 ILE 45 1HD1 ILE 45 -1.066 0.502 0.472 357 2HD1 ILE 45 2HD1 ILE 45 0.001 0.730 -0.918 358 3HD1 ILE 45 3HD1 ILE 45 0.533 1.243 0.718 359 H VAL 46 HN VAL 46 -4.188 4.669 1.754 360 HA VAL 46 HA VAL 46 -3.455 6.117 4.205 361 HB VAL 46 HB VAL 46 -3.988 7.788 2.629 362 1HG1 VAL 46 1HG1 VAL 46 -6.224 8.173 1.882 363 2HG1 VAL 46 2HG1 VAL 46 -5.496 6.654 1.303 364 3HG1 VAL 46 3HG1 VAL 46 -6.707 6.624 2.625 365 1HG2 VAL 46 1HG2 VAL 46 -4.450 8.116 5.100 366 2HG2 VAL 46 2HG2 VAL 46 -5.526 9.053 4.056 367 3HG2 VAL 46 3HG2 VAL 46 -6.106 7.554 4.799 368 H TYR 47 HN TYR 47 -4.165 5.038 5.950 369 HA TYR 47 HA TYR 47 -6.704 3.646 6.014 370 1HB TYR 47 2HB TYR 47 -5.835 1.370 6.242 371 2HB TYR 47 3HB TYR 47 -5.387 2.036 4.682 372 HD1 TYR 47 1HD TYR 47 -3.082 2.765 4.214 373 HD2 TYR 47 2HD TYR 47 -4.101 0.947 7.980 374 HE1 TYR 47 1HE TYR 47 -0.779 1.979 4.458 375 HE2 TYR 47 2HE TYR 47 -1.739 0.329 8.304 376 HH TYR 47 HH TYR 47 0.015 -0.573 6.873 377 H GLN 48 HN GLN 48 -6.630 2.093 8.094 378 HA GLN 48 HA GLN 48 -5.040 3.357 10.279 379 1HB GLN 48 2HB GLN 48 -8.018 2.970 9.901 380 2HB GLN 48 3HB GLN 48 -7.419 2.556 11.489 381 1HG GLN 48 2HG GLN 48 -6.419 5.152 10.431 382 2HG GLN 48 3HG GLN 48 -8.170 5.059 10.675 383 1HE2 GLN 48 2HE2 GLN 48 -5.704 6.369 12.138 384 2HE2 GLN 48 1HE2 GLN 48 -6.121 6.058 13.826 385 HA PRO 49 HA PRO 49 -4.215 -0.806 11.664 386 1HB PRO 49 2HB PRO 49 -3.328 -0.297 14.186 387 2HB PRO 49 3HB PRO 49 -2.392 0.196 12.766 388 1HG PRO 49 2HG PRO 49 -4.285 1.919 14.369 389 2HG PRO 49 3HG PRO 49 -2.600 2.284 13.892 390 1HD PRO 49 2HD PRO 49 -4.732 3.183 12.478 391 2HD PRO 49 3HD PRO 49 -3.229 2.676 11.651 392 H HIS 50 HN HIS 50 -6.704 -0.798 11.385 393 HA HIS 50 HA HIS 50 -7.834 -1.801 13.930 394 1HB HIS 50 2HB HIS 50 -8.798 0.671 12.567 395 2HB HIS 50 3HB HIS 50 -10.052 -0.539 12.831 396 HD1 HIS 50 1HD HIS 50 -7.201 0.348 15.292 397 HD2 HIS 50 2HD HIS 50 -11.387 0.209 14.897 398 HE1 HIS 50 1HE HIS 50 -8.179 0.865 17.604 399 H LEU 51 HN LEU 51 -8.822 -1.130 10.521 400 HA LEU 51 HA LEU 51 -10.091 -3.778 10.404 401 1HB LEU 51 2HB LEU 51 -9.790 -1.447 8.528 402 2HB LEU 51 3HB LEU 51 -10.443 -2.993 7.961 403 HG LEU 51 HG LEU 51 -11.633 -1.572 10.360 404 1HD1 LEU 51 1HD1 LEU 51 -12.367 -1.175 7.433 405 2HD1 LEU 51 2HD1 LEU 51 -13.328 -0.618 8.819 406 3HD1 LEU 51 3HD1 LEU 51 -11.710 0.047 8.548 407 1HD2 LEU 51 1HD2 LEU 51 -12.268 -3.983 9.934 408 2HD2 LEU 51 2HD2 LEU 51 -13.633 -2.873 9.762 409 3HD2 LEU 51 3HD2 LEU 51 -12.828 -3.512 8.320 410 H ILE 52 HN ILE 52 -6.906 -2.392 9.668 411 HA ILE 52 HA ILE 52 -6.202 -4.962 8.420 412 HB ILE 52 HB ILE 52 -6.453 -2.989 6.871 413 1HG1 ILE 52 2HG1 ILE 52 -4.473 -3.515 5.591 414 2HG1 ILE 52 3HG1 ILE 52 -3.681 -4.280 6.983 415 1HG2 ILE 52 1HG2 ILE 52 -4.686 -1.365 6.793 416 2HG2 ILE 52 2HG2 ILE 52 -5.440 -1.371 8.403 417 3HG2 ILE 52 3HG2 ILE 52 -3.857 -2.139 8.165 418 1HD1 ILE 52 1HD1 ILE 52 -6.372 -5.216 5.940 419 2HD1 ILE 52 2HD1 ILE 52 -4.850 -5.779 5.209 420 3HD1 ILE 52 3HD1 ILE 52 -5.183 -6.111 6.925 421 H SER 53 HN SER 53 -4.251 -5.894 9.055 422 HA SER 53 HA SER 53 -3.399 -5.155 11.691 423 1HB SER 53 2HB SER 53 -2.229 -7.194 9.911 424 2HB SER 53 3HB SER 53 -2.200 -7.146 11.678 425 HG SER 53 HG SER 53 -3.864 -8.565 10.993 426 H VAL 54 HN VAL 54 -2.807 -3.293 9.632 427 HA VAL 54 HA VAL 54 -1.363 -1.677 9.207 428 HB VAL 54 HB VAL 54 -0.647 -2.532 11.775 429 1HG1 VAL 54 1HG1 VAL 54 1.489 -3.486 10.994 430 2HG1 VAL 54 2HG1 VAL 54 1.835 -1.971 10.112 431 3HG1 VAL 54 3HG1 VAL 54 1.763 -1.984 11.887 432 1HG2 VAL 54 1HG2 VAL 54 0.223 -0.132 10.196 433 2HG2 VAL 54 2HG2 VAL 54 -1.367 -0.310 10.944 434 3HG2 VAL 54 3HG2 VAL 54 0.089 -0.211 11.970 435 H GLU 55 HN GLU 55 0.462 -4.634 9.502 436 HA GLU 55 HA GLU 55 2.173 -4.052 7.223 437 1HB GLU 55 2HB GLU 55 2.301 -5.672 9.568 438 2HB GLU 55 3HB GLU 55 2.144 -6.794 8.229 439 1HG GLU 55 2HG GLU 55 4.019 -5.426 7.063 440 2HG GLU 55 3HG GLU 55 4.227 -4.592 8.620 441 H GLU 56 HN GLU 56 -0.590 -6.130 8.085 442 HA GLU 56 HA GLU 56 -0.658 -8.003 6.128 443 1HB GLU 56 2HB GLU 56 -2.729 -6.553 7.705 444 2HB GLU 56 3HB GLU 56 -3.326 -7.173 6.169 445 1HG GLU 56 2HG GLU 56 -1.892 -8.908 8.174 446 2HG GLU 56 3HG GLU 56 -3.650 -8.809 7.967 447 H MET 57 HN MET 57 -2.055 -4.783 5.791 448 HA MET 57 HA MET 57 -2.963 -4.562 3.311 449 1HB MET 57 2HB MET 57 -2.149 -2.859 5.362 450 2HB MET 57 3HB MET 57 -1.015 -2.431 4.127 451 1HG MET 57 2HG MET 57 -3.953 -2.585 3.456 452 2HG MET 57 3HG MET 57 -3.388 -1.290 4.491 453 1HE MET 57 1HE MET 57 -1.253 -2.528 1.215 454 2HE MET 57 2HE MET 57 -2.990 -2.893 0.991 455 3HE MET 57 3HE MET 57 -2.196 -1.593 0.071 456 H LYS 58 HN LYS 58 0.617 -4.371 4.054 457 HA LYS 58 HA LYS 58 1.297 -4.154 1.225 458 1HB LYS 58 2HB LYS 58 2.577 -3.790 3.909 459 2HB LYS 58 3HB LYS 58 3.544 -4.632 2.758 460 1HG LYS 58 2HG LYS 58 3.925 -2.163 2.588 461 2HG LYS 58 3HG LYS 58 3.294 -2.841 1.101 462 1HD LYS 58 2HD LYS 58 2.181 -0.726 1.667 463 2HD LYS 58 3HD LYS 58 1.025 -2.036 1.612 464 1HE LYS 58 2HE LYS 58 1.174 -2.131 4.169 465 2HE LYS 58 3HE LYS 58 2.274 -0.767 4.092 466 1HZ LYS 58 1HZ LYS 58 -0.527 -0.772 3.130 467 2HZ LYS 58 2HZ LYS 58 0.065 -0.102 4.513 468 3HZ LYS 58 3HZ LYS 58 0.506 0.498 3.042 469 H LYS 59 HN LYS 59 1.322 -6.600 3.835 470 HA LYS 59 HA LYS 59 2.772 -8.530 2.305 471 1HB LYS 59 2HB LYS 59 0.723 -9.024 4.482 472 2HB LYS 59 3HB LYS 59 1.922 -10.161 3.862 473 1HG LYS 59 2HG LYS 59 2.442 -7.633 5.480 474 2HG LYS 59 3HG LYS 59 2.820 -9.301 5.883 475 1HD LYS 59 2HD LYS 59 4.402 -9.282 3.835 476 2HD LYS 59 3HD LYS 59 4.169 -7.518 3.776 477 1HE LYS 59 2HE LYS 59 5.102 -7.204 5.930 478 2HE LYS 59 3HE LYS 59 5.150 -8.941 6.285 479 1HZ LYS 59 1HZ LYS 59 6.601 -7.809 3.996 480 2HZ LYS 59 2HZ LYS 59 7.272 -7.856 5.521 481 3HZ LYS 59 3HZ LYS 59 6.831 -9.234 4.723 482 H GLN 60 HN GLN 60 -0.604 -7.521 2.043 483 HA GLN 60 HA GLN 60 -1.494 -9.750 0.497 484 1HB GLN 60 2HB GLN 60 -2.402 -6.869 0.326 485 2HB GLN 60 3HB GLN 60 -3.259 -8.309 -0.190 486 1HG GLN 60 2HG GLN 60 -2.493 -8.665 2.557 487 2HG GLN 60 3HG GLN 60 -3.174 -7.043 2.410 488 1HE2 GLN 60 2HE2 GLN 60 -4.310 -9.128 4.022 489 2HE2 GLN 60 1HE2 GLN 60 -5.889 -9.469 3.328 490 H ILE 61 HN ILE 61 0.106 -6.723 -0.226 491 HA ILE 61 HA ILE 61 0.210 -7.076 -3.145 492 HB ILE 61 HB ILE 61 1.713 -5.235 -1.284 493 1HG1 ILE 61 2HG1 ILE 61 0.528 -3.665 -3.137 494 2HG1 ILE 61 3HG1 ILE 61 -0.604 -5.007 -3.223 495 1HG2 ILE 61 1HG2 ILE 61 3.256 -5.853 -3.147 496 2HG2 ILE 61 2HG2 ILE 61 1.964 -5.510 -4.310 497 3HG2 ILE 61 3HG2 ILE 61 2.674 -4.204 -3.334 498 1HD1 ILE 61 1HD1 ILE 61 0.234 -3.525 -0.697 499 2HD1 ILE 61 2HD1 ILE 61 -1.249 -3.216 -1.612 500 3HD1 ILE 61 3HD1 ILE 61 -1.026 -4.791 -0.824 501 H GLU 62 HN GLU 62 2.519 -7.784 -0.457 502 HA GLU 62 HA GLU 62 4.676 -8.652 -2.065 503 1HB GLU 62 2HB GLU 62 3.869 -9.747 0.648 504 2HB GLU 62 3HB GLU 62 5.412 -9.928 -0.196 505 1HG GLU 62 2HG GLU 62 5.135 -7.241 -0.394 506 2HG GLU 62 3HG GLU 62 4.293 -7.468 1.124 507 H ALA 63 HN ALA 63 1.910 -10.392 -0.680 508 HA ALA 63 HA ALA 63 2.328 -12.952 -1.689 509 1HB ALA 63 1HB ALA 63 0.797 -12.380 0.126 510 2HB ALA 63 2HB ALA 63 -0.253 -11.509 -1.004 511 3HB ALA 63 3HB ALA 63 -0.069 -13.273 -1.146 512 H MET 64 HN MET 64 1.261 -10.135 -3.554 513 HA MET 64 HA MET 64 -0.085 -11.610 -5.648 514 1HB MET 64 2HB MET 64 1.457 -8.986 -5.822 515 2HB MET 64 3HB MET 64 0.349 -9.633 -7.024 516 1HG MET 64 2HG MET 64 -0.471 -8.971 -4.197 517 2HG MET 64 3HG MET 64 -0.628 -7.834 -5.518 518 1HE MET 64 1HE MET 64 -1.931 -8.785 -7.847 519 2HE MET 64 2HE MET 64 -3.658 -8.988 -7.458 520 3HE MET 64 3HE MET 64 -2.768 -7.587 -6.829 521 H GLY 65 HN GLY 65 3.259 -11.031 -4.710 522 1HA GLY 65 1HA GLY 65 4.659 -12.985 -5.537 523 2HA GLY 65 2HA GLY 65 4.283 -12.416 -7.173 524 H PHE 66 HN PHE 66 4.300 -9.567 -6.268 525 HA PHE 66 HA PHE 66 7.111 -9.107 -6.884 526 1HB PHE 66 2HB PHE 66 4.768 -7.253 -6.405 527 2HB PHE 66 3HB PHE 66 6.389 -6.717 -6.828 528 HD1 PHE 66 1HD PHE 66 3.332 -8.371 -8.114 529 HD2 PHE 66 2HD PHE 66 7.439 -7.435 -8.978 530 HE1 PHE 66 1HE PHE 66 2.985 -8.992 -10.477 531 HE2 PHE 66 2HE PHE 66 7.071 -7.940 -11.356 532 HZ PHE 66 HZ PHE 66 4.827 -8.709 -12.135 533 HA PRO 67 HA PRO 67 7.746 -8.920 -2.343 534 1HB PRO 67 2HB PRO 67 10.405 -8.252 -2.282 535 2HB PRO 67 3HB PRO 67 9.828 -9.896 -2.685 536 1HG PRO 67 2HG PRO 67 10.611 -7.695 -4.613 537 2HG PRO 67 3HG PRO 67 11.141 -9.401 -4.633 538 1HD PRO 67 2HD PRO 67 9.110 -8.494 -6.183 539 2HD PRO 67 3HD PRO 67 9.023 -10.126 -5.450 540 H ALA 68 HN ALA 68 7.110 -7.186 -1.154 541 HA ALA 68 HA ALA 68 7.693 -4.424 -2.242 542 1HB ALA 68 1HB ALA 68 5.254 -5.097 -0.593 543 2HB ALA 68 2HB ALA 68 5.572 -3.703 -1.635 544 3HB ALA 68 3HB ALA 68 5.289 -5.286 -2.366 545 H PHE 69 HN PHE 69 6.921 -2.926 -0.068 546 HA PHE 69 HA PHE 69 7.952 -4.050 2.395 547 1HB PHE 69 2HB PHE 69 9.943 -3.083 0.709 548 2HB PHE 69 3HB PHE 69 9.582 -1.668 1.677 549 HD1 PHE 69 1HD PHE 69 10.850 -5.134 1.674 550 HD2 PHE 69 2HD PHE 69 10.017 -1.696 4.147 551 HE1 PHE 69 1HE PHE 69 12.243 -6.092 3.479 552 HE2 PHE 69 2HE PHE 69 11.368 -2.684 5.968 553 HZ PHE 69 HZ PHE 69 12.516 -4.867 5.629 554 H VAL 70 HN VAL 70 7.347 -2.950 4.175 555 HA VAL 70 HA VAL 70 5.686 -0.525 3.814 556 HB VAL 70 HB VAL 70 4.435 -2.292 4.720 557 1HG1 VAL 70 1HG1 VAL 70 6.505 -2.331 6.896 558 2HG1 VAL 70 2HG1 VAL 70 4.962 -3.215 6.906 559 3HG1 VAL 70 3HG1 VAL 70 6.193 -3.595 5.679 560 1HG2 VAL 70 1HG2 VAL 70 4.004 0.041 5.487 561 2HG2 VAL 70 2HG2 VAL 70 3.560 -1.207 6.666 562 3HG2 VAL 70 3HG2 VAL 70 5.046 -0.262 6.897 563 H LYS 71 HN LYS 71 6.509 1.397 4.579 564 HA LYS 71 HA LYS 71 9.107 1.369 5.978 565 1HB LYS 71 2HB LYS 71 7.382 3.707 5.116 566 2HB LYS 71 3HB LYS 71 8.960 3.782 5.894 567 1HG LYS 71 2HG LYS 71 9.696 2.166 3.872 568 2HG LYS 71 3HG LYS 71 8.227 2.797 3.125 569 1HD LYS 71 2HD LYS 71 9.916 4.293 2.404 570 2HD LYS 71 3HD LYS 71 9.093 5.131 3.726 571 1HE LYS 71 2HE LYS 71 11.068 3.785 5.140 572 2HE LYS 71 3HE LYS 71 11.869 3.941 3.580 573 1HZ LYS 71 1HZ LYS 71 10.778 6.144 5.205 574 2HZ LYS 71 2HZ LYS 71 12.364 5.762 5.031 575 3HZ LYS 71 3HZ LYS 71 11.517 6.327 3.738 576 H LYS 72 HN LYS 72 6.295 3.433 6.858 577 HA LYS 72 HA LYS 72 6.024 2.246 9.495 578 1HB LYS 72 2HB LYS 72 7.569 4.811 9.004 579 2HB LYS 72 3HB LYS 72 6.380 4.821 10.280 580 1HG LYS 72 2HG LYS 72 7.619 2.563 11.056 581 2HG LYS 72 3HG LYS 72 8.931 3.223 10.080 582 1HD LYS 72 2HD LYS 72 9.322 4.068 12.287 583 2HD LYS 72 3HD LYS 72 8.563 5.426 11.429 584 1HE LYS 72 2HE LYS 72 6.299 4.378 12.343 585 2HE LYS 72 3HE LYS 72 7.325 3.463 13.437 586 1HZ LYS 72 1HZ LYS 72 7.193 6.407 13.272 587 2HZ LYS 72 2HZ LYS 72 6.347 5.470 14.290 588 3HZ LYS 72 3HZ LYS 72 7.994 5.523 14.429 589 H ILE 73 HN ILE 73 3.967 2.723 10.316 590 HA ILE 73 HA ILE 73 2.434 4.926 9.251 591 HB ILE 73 HB ILE 73 1.861 3.338 7.721 592 1HG1 ILE 73 2HG1 ILE 73 0.117 4.608 8.824 593 2HG1 ILE 73 3HG1 ILE 73 -0.339 3.236 7.794 594 1HG2 ILE 73 1HG2 ILE 73 1.095 1.036 8.280 595 2HG2 ILE 73 2HG2 ILE 73 2.821 1.382 8.468 596 3HG2 ILE 73 3HG2 ILE 73 1.796 1.314 9.898 597 1HD1 ILE 73 1HD1 ILE 73 -0.483 3.293 10.806 598 2HD1 ILE 73 2HD1 ILE 73 -1.798 3.173 9.624 599 3HD1 ILE 73 3HD1 ILE 73 -0.631 1.849 9.783 600 H GLU 74 HN GLU 74 1.585 5.900 11.062 601 HA GLU 74 HA GLU 74 0.270 4.303 13.091 602 1HB GLU 74 2HB GLU 74 2.539 6.327 13.664 603 2HB GLU 74 3HB GLU 74 1.324 5.935 14.865 604 1HG GLU 74 2HG GLU 74 2.526 4.241 15.616 605 2HG GLU 74 3HG GLU 74 2.397 3.419 14.070 606 H GLY 75 HN GLY 75 -1.428 5.474 13.911 607 1HA GLY 75 1HA GLY 75 -1.911 8.211 12.774 608 2HA GLY 75 2HA GLY 75 -3.129 6.926 12.786 609 H ARG 76 HN ARG 76 -4.603 7.568 14.274 610 HA ARG 76 HA ARG 76 -4.269 7.434 16.988 611 1HB ARG 76 2HB ARG 76 -4.717 9.745 17.656 612 2HB ARG 76 3HB ARG 76 -3.131 9.630 16.877 613 1HG ARG 76 2HG ARG 76 -4.056 10.578 14.783 614 2HG ARG 76 3HG ARG 76 -5.681 10.535 15.472 615 1HD ARG 76 2HD ARG 76 -5.235 12.711 15.775 616 2HD ARG 76 3HD ARG 76 -4.748 12.110 17.344 617 HE ARG 76 HE ARG 76 -3.135 13.241 15.151 618 1HH1 ARG 76 1HH2 ARG 76 -2.907 11.340 18.100 619 2HH1 ARG 76 2HH2 ARG 76 -1.286 11.826 18.493 620 1HH2 ARG 76 1HH1 ARG 76 -1.004 13.940 15.631 621 2HH2 ARG 76 2HH1 ARG 76 -0.175 13.341 17.030 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -6.325 7.892 12.946 2 2H GLY 1 2H GLY 1 -7.064 6.690 13.824 3 3H GLY 1 3H GLY 1 -6.086 6.329 12.541 4 1HA GLY 1 1HA GLY 1 -8.335 6.113 11.788 5 2HA GLY 1 2HA GLY 1 -8.669 7.734 12.421 6 H GLU 2 HN GLU 2 -8.453 6.463 9.539 7 HA GLU 2 HA GLU 2 -7.356 6.800 7.545 8 1HB GLU 2 2HB GLU 2 -8.549 9.516 8.220 9 2HB GLU 2 3HB GLU 2 -8.194 8.876 6.609 10 1HG GLU 2 2HG GLU 2 -9.699 6.868 7.232 11 2HG GLU 2 3HG GLU 2 -10.233 7.825 8.627 12 H VAL 3 HN VAL 3 -5.145 6.458 8.287 13 HA VAL 3 HA VAL 3 -3.490 8.902 8.549 14 HB VAL 3 HB VAL 3 -2.982 6.035 9.379 15 1HG1 VAL 3 1HG1 VAL 3 -1.431 8.623 9.706 16 2HG1 VAL 3 2HG1 VAL 3 -1.228 7.284 10.837 17 3HG1 VAL 3 3HG1 VAL 3 -0.878 7.030 9.114 18 1HG2 VAL 3 1HG2 VAL 3 -3.272 6.807 11.724 19 2HG2 VAL 3 2HG2 VAL 3 -3.905 8.354 11.103 20 3HG2 VAL 3 3HG2 VAL 3 -4.752 6.812 10.777 21 H VAL 4 HN VAL 4 -1.738 9.078 7.205 22 HA VAL 4 HA VAL 4 -1.678 7.475 4.787 23 HB VAL 4 HB VAL 4 -1.266 10.110 5.270 24 1HG1 VAL 4 1HG1 VAL 4 0.959 9.674 6.272 25 2HG1 VAL 4 2HG1 VAL 4 1.447 8.874 4.749 26 3HG1 VAL 4 3HG1 VAL 4 1.061 10.611 4.764 27 1HG2 VAL 4 1HG2 VAL 4 -0.303 8.379 2.983 28 2HG2 VAL 4 2HG2 VAL 4 -1.908 9.122 3.172 29 3HG2 VAL 4 3HG2 VAL 4 -0.483 10.151 2.917 30 H LEU 5 HN LEU 5 -0.318 5.903 4.241 31 HA LEU 5 HA LEU 5 2.115 5.346 5.875 32 1HB LEU 5 2HB LEU 5 0.822 3.561 6.503 33 2HB LEU 5 3HB LEU 5 -0.171 3.603 5.059 34 HG LEU 5 HG LEU 5 1.049 1.575 5.237 35 1HD1 LEU 5 1HD1 LEU 5 1.470 1.195 3.107 36 2HD1 LEU 5 2HD1 LEU 5 0.574 2.716 2.969 37 3HD1 LEU 5 3HD1 LEU 5 2.338 2.707 2.824 38 1HD2 LEU 5 1HD2 LEU 5 2.928 1.897 6.405 39 2HD2 LEU 5 2HD2 LEU 5 3.482 1.397 4.799 40 3HD2 LEU 5 3HD2 LEU 5 3.603 3.101 5.282 41 H LYS 6 HN LYS 6 3.914 4.990 4.593 42 HA LYS 6 HA LYS 6 3.631 5.262 1.646 43 1HB LYS 6 2HB LYS 6 4.798 7.060 2.882 44 2HB LYS 6 3HB LYS 6 6.119 5.914 3.173 45 1HG LYS 6 2HG LYS 6 6.814 5.941 0.998 46 2HG LYS 6 3HG LYS 6 5.180 6.010 0.320 47 1HD LYS 6 2HD LYS 6 4.922 8.356 0.841 48 2HD LYS 6 3HD LYS 6 6.373 8.292 1.832 49 1HE LYS 6 2HE LYS 6 7.108 9.382 -0.139 50 2HE LYS 6 3HE LYS 6 7.684 7.722 -0.327 51 1HZ LYS 6 1HZ LYS 6 5.266 8.895 -1.554 52 2HZ LYS 6 2HZ LYS 6 6.663 8.497 -2.325 53 3HZ LYS 6 3HZ LYS 6 5.704 7.316 -1.700 54 H MET 7 HN MET 7 4.124 3.338 0.621 55 HA MET 7 HA MET 7 5.758 1.292 2.042 56 1HB MET 7 2HB MET 7 4.480 -0.422 1.126 57 2HB MET 7 3HB MET 7 3.320 0.665 1.864 58 1HG MET 7 2HG MET 7 2.752 1.583 -0.345 59 2HG MET 7 3HG MET 7 4.025 0.591 -1.094 60 1HE MET 7 1HE MET 7 4.126 -1.994 -0.948 61 2HE MET 7 2HE MET 7 3.345 -2.229 0.633 62 3HE MET 7 3HE MET 7 2.675 -3.009 -0.808 63 H LYS 8 HN LYS 8 6.665 -0.241 0.497 64 HA LYS 8 HA LYS 8 7.790 1.010 -1.951 65 1HB LYS 8 2HB LYS 8 8.999 -0.214 0.436 66 2HB LYS 8 3HB LYS 8 9.450 -1.119 -1.003 67 1HG LYS 8 2HG LYS 8 9.782 1.896 -0.636 68 2HG LYS 8 3HG LYS 8 11.037 0.646 -0.377 69 1HD LYS 8 2HD LYS 8 10.379 -0.059 -2.823 70 2HD LYS 8 3HD LYS 8 9.784 1.601 -2.958 71 1HE LYS 8 2HE LYS 8 11.995 2.481 -2.398 72 2HE LYS 8 3HE LYS 8 12.621 0.836 -2.107 73 1HZ LYS 8 1HZ LYS 8 11.629 1.752 -4.718 74 2HZ LYS 8 2HZ LYS 8 13.220 1.677 -4.271 75 3HZ LYS 8 3HZ LYS 8 12.368 0.306 -4.348 76 H VAL 9 HN VAL 9 7.482 -0.198 -3.763 77 HA VAL 9 HA VAL 9 6.116 -2.853 -3.594 78 HB VAL 9 HB VAL 9 5.613 -0.630 -5.627 79 1HG1 VAL 9 1HG1 VAL 9 3.576 -1.920 -6.118 80 2HG1 VAL 9 2HG1 VAL 9 4.990 -2.957 -6.333 81 3HG1 VAL 9 3HG1 VAL 9 3.999 -3.111 -4.871 82 1HG2 VAL 9 1HG2 VAL 9 4.879 0.290 -3.517 83 2HG2 VAL 9 2HG2 VAL 9 3.459 -0.253 -4.413 84 3HG2 VAL 9 3HG2 VAL 9 4.078 -1.240 -3.084 85 H GLU 10 HN GLU 10 8.645 -3.331 -3.675 86 HA GLU 10 HA GLU 10 9.940 -2.523 -6.102 87 1HB GLU 10 2HB GLU 10 10.932 -4.576 -4.091 88 2HB GLU 10 3HB GLU 10 11.858 -3.714 -5.332 89 1HG GLU 10 2HG GLU 10 10.701 -1.606 -4.165 90 2HG GLU 10 3HG GLU 10 10.732 -2.675 -2.738 91 H GLY 11 HN GLY 11 10.542 -3.617 -7.892 92 1HA GLY 11 1HA GLY 11 10.894 -5.829 -8.976 93 2HA GLY 11 2HA GLY 11 9.306 -6.326 -8.380 94 H MET 12 HN MET 12 7.839 -3.932 -8.810 95 HA MET 12 HA MET 12 7.409 -4.277 -11.677 96 1HB MET 12 2HB MET 12 5.920 -2.763 -9.507 97 2HB MET 12 3HB MET 12 5.470 -2.673 -11.210 98 1HG MET 12 2HG MET 12 5.563 -5.202 -9.516 99 2HG MET 12 3HG MET 12 4.138 -4.330 -10.036 100 1HE MET 12 1HE MET 12 4.325 -3.711 -12.970 101 2HE MET 12 2HE MET 12 6.002 -4.104 -13.355 102 3HE MET 12 3HE MET 12 4.696 -5.051 -14.074 103 H THR 13 HN THR 13 8.855 -3.284 -12.930 104 HA THR 13 HA THR 13 9.433 -0.384 -12.516 105 HB THR 13 HB THR 13 11.457 -0.943 -13.850 106 HG1 THR 13 1HG THR 13 11.851 -3.246 -14.077 107 1HG2 THR 13 1HG2 THR 13 11.112 -2.801 -11.440 108 2HG2 THR 13 2HG2 THR 13 12.625 -2.116 -12.055 109 3HG2 THR 13 3HG2 THR 13 11.410 -1.059 -11.312 110 H CYS 14 HN CYS 14 9.172 -2.769 -15.176 111 HA CYS 14 HA CYS 14 8.659 -0.933 -17.220 112 1HB CYS 14 2HB CYS 14 7.896 -2.738 -18.580 113 2HB CYS 14 3HB CYS 14 9.196 -3.367 -17.550 114 HG CYS 14 HG CYS 14 7.360 -5.180 -17.872 115 H HIS 15 HN HIS 15 6.918 0.171 -17.981 116 HA HIS 15 HA HIS 15 4.987 0.847 -16.132 117 1HB HIS 15 2HB HIS 15 3.960 2.208 -17.943 118 2HB HIS 15 3HB HIS 15 5.698 2.414 -17.761 119 HD1 HIS 15 1HD HIS 15 6.994 2.323 -19.984 120 HD2 HIS 15 2HD HIS 15 3.278 0.352 -20.084 121 HE1 HIS 15 1HE HIS 15 6.643 1.528 -22.388 122 H SER 16 HN SER 16 2.599 0.940 -16.500 123 HA SER 16 HA SER 16 0.533 0.063 -16.850 124 1HB SER 16 2HB SER 16 1.536 -0.809 -19.004 125 2HB SER 16 3HB SER 16 1.734 -2.355 -18.145 126 HG SER 16 HG SER 16 -0.274 -2.385 -19.168 127 H CYS 17 HN CYS 17 0.501 -0.144 -14.523 128 HA CYS 17 HA CYS 17 -0.015 -2.821 -13.657 129 1HB CYS 17 2HB CYS 17 2.462 -2.900 -13.643 130 2HB CYS 17 3HB CYS 17 2.515 -1.620 -12.428 131 HG CYS 17 HG CYS 17 2.839 -4.128 -11.502 132 H THR 18 HN THR 18 1.188 -1.126 -10.996 133 HA THR 18 HA THR 18 0.064 -0.193 -9.235 134 HB THR 18 HB THR 18 -0.150 2.255 -9.675 135 HG1 THR 18 1HG THR 18 0.513 1.567 -12.354 136 1HG2 THR 18 1HG2 THR 18 2.259 1.292 -11.191 137 2HG2 THR 18 2HG2 THR 18 2.128 2.553 -9.951 138 3HG2 THR 18 3HG2 THR 18 2.112 0.827 -9.511 139 H SER 19 HN SER 19 -1.873 1.641 -11.496 140 HA SER 19 HA SER 19 -4.189 1.691 -10.172 141 1HB SER 19 2HB SER 19 -3.712 2.800 -12.314 142 2HB SER 19 3HB SER 19 -4.002 1.271 -13.177 143 HG SER 19 HG SER 19 -5.806 2.860 -12.968 144 H THR 20 HN THR 20 -3.257 -1.122 -12.076 145 HA THR 20 HA THR 20 -5.600 -2.692 -11.653 146 HB THR 20 HB THR 20 -2.915 -3.045 -12.719 147 HG1 THR 20 1HG THR 20 -4.043 -4.433 -14.017 148 1HG2 THR 20 1HG2 THR 20 -3.914 -5.415 -11.110 149 2HG2 THR 20 2HG2 THR 20 -2.691 -5.470 -12.398 150 3HG2 THR 20 3HG2 THR 20 -2.358 -4.554 -10.931 151 H ILE 21 HN ILE 21 -2.586 -2.519 -9.658 152 HA ILE 21 HA ILE 21 -3.570 -4.133 -7.492 153 HB ILE 21 HB ILE 21 -1.322 -2.132 -7.900 154 1HG1 ILE 21 2HG1 ILE 21 -0.556 -4.736 -6.952 155 2HG1 ILE 21 3HG1 ILE 21 -1.657 -4.964 -8.307 156 1HG2 ILE 21 1HG2 ILE 21 -0.405 -2.595 -5.766 157 2HG2 ILE 21 2HG2 ILE 21 -1.944 -1.756 -5.614 158 3HG2 ILE 21 3HG2 ILE 21 -1.857 -3.514 -5.286 159 1HD1 ILE 21 1HD1 ILE 21 0.835 -3.218 -8.326 160 2HD1 ILE 21 2HD1 ILE 21 0.626 -4.806 -9.105 161 3HD1 ILE 21 3HD1 ILE 21 -0.333 -3.406 -9.659 162 H GLU 22 HN GLU 22 -3.620 -0.548 -8.181 163 HA GLU 22 HA GLU 22 -4.411 0.158 -5.618 164 1HB GLU 22 2HB GLU 22 -5.022 1.478 -8.292 165 2HB GLU 22 3HB GLU 22 -5.267 2.262 -6.766 166 1HG GLU 22 2HG GLU 22 -2.851 1.893 -6.193 167 2HG GLU 22 3HG GLU 22 -2.568 1.206 -7.775 168 H GLY 23 HN GLY 23 -6.426 -0.071 -8.424 169 1HA GLY 23 1HA GLY 23 -9.038 -0.053 -7.538 170 2HA GLY 23 2HA GLY 23 -8.470 -1.123 -8.832 171 H LYS 24 HN LYS 24 -7.022 -3.086 -7.699 172 HA LYS 24 HA LYS 24 -8.955 -4.743 -6.432 173 1HB LYS 24 2HB LYS 24 -7.008 -5.616 -7.655 174 2HB LYS 24 3HB LYS 24 -5.914 -4.966 -6.427 175 1HG LYS 24 2HG LYS 24 -6.961 -6.432 -4.709 176 2HG LYS 24 3HG LYS 24 -8.061 -7.079 -5.942 177 1HD LYS 24 2HD LYS 24 -6.201 -7.985 -7.215 178 2HD LYS 24 3HD LYS 24 -5.016 -7.220 -6.151 179 1HE LYS 24 2HE LYS 24 -7.055 -9.283 -5.162 180 2HE LYS 24 3HE LYS 24 -5.474 -9.739 -5.802 181 1HZ LYS 24 1HZ LYS 24 -5.878 -7.991 -3.466 182 2HZ LYS 24 2HZ LYS 24 -5.412 -9.566 -3.431 183 3HZ LYS 24 3HZ LYS 24 -4.424 -8.440 -4.111 184 H ILE 25 HN ILE 25 -6.167 -2.973 -5.028 185 HA ILE 25 HA ILE 25 -6.528 -3.851 -2.385 186 HB ILE 25 HB ILE 25 -5.037 -1.600 -3.722 187 1HG1 ILE 25 2HG1 ILE 25 -4.194 -3.818 -4.208 188 2HG1 ILE 25 3HG1 ILE 25 -3.060 -2.762 -3.358 189 1HG2 ILE 25 1HG2 ILE 25 -5.404 -2.016 -0.822 190 2HG2 ILE 25 2HG2 ILE 25 -3.820 -1.466 -1.428 191 3HG2 ILE 25 3HG2 ILE 25 -5.298 -0.536 -1.770 192 1HD1 ILE 25 1HD1 ILE 25 -4.731 -4.962 -2.117 193 2HD1 ILE 25 2HD1 ILE 25 -3.012 -5.065 -2.544 194 3HD1 ILE 25 3HD1 ILE 25 -3.542 -3.920 -1.298 195 H GLY 26 HN GLY 26 -8.020 -1.231 -4.203 196 1HA GLY 26 1HA GLY 26 -9.236 0.251 -2.190 197 2HA GLY 26 2HA GLY 26 -9.943 -0.104 -3.772 198 H LYS 27 HN LYS 27 -9.871 -3.215 -2.823 199 HA LYS 27 HA LYS 27 -12.524 -3.050 -1.523 200 1HB LYS 27 2HB LYS 27 -10.985 -5.081 -3.125 201 2HB LYS 27 3HB LYS 27 -12.143 -5.643 -1.935 202 1HG LYS 27 2HG LYS 27 -13.925 -4.339 -2.927 203 2HG LYS 27 3HG LYS 27 -12.809 -3.598 -4.089 204 1HD LYS 27 2HD LYS 27 -12.429 -5.632 -5.244 205 2HD LYS 27 3HD LYS 27 -13.146 -6.630 -3.978 206 1HE LYS 27 2HE LYS 27 -14.720 -4.597 -5.645 207 2HE LYS 27 3HE LYS 27 -14.564 -6.305 -6.074 208 1HZ LYS 27 1HZ LYS 27 -15.769 -5.318 -3.575 209 2HZ LYS 27 2HZ LYS 27 -16.587 -5.884 -4.882 210 3HZ LYS 27 3HZ LYS 27 -15.623 -6.895 -4.019 211 H LEU 28 HN LEU 28 -9.182 -3.257 -0.533 212 HA LEU 28 HA LEU 28 -9.520 -5.292 1.335 213 1HB LEU 28 2HB LEU 28 -7.532 -3.014 1.193 214 2HB LEU 28 3HB LEU 28 -7.435 -4.373 2.299 215 HG LEU 28 HG LEU 28 -6.240 -4.217 -0.194 216 1HD1 LEU 28 1HD1 LEU 28 -5.501 -6.466 0.374 217 2HD1 LEU 28 2HD1 LEU 28 -5.549 -5.471 1.842 218 3HD1 LEU 28 3HD1 LEU 28 -6.865 -6.622 1.523 219 1HD2 LEU 28 1HD2 LEU 28 -8.444 -6.309 -0.237 220 2HD2 LEU 28 2HD2 LEU 28 -8.290 -4.956 -1.388 221 3HD2 LEU 28 3HD2 LEU 28 -7.081 -6.238 -1.369 222 H GLN 29 HN GLN 29 -9.977 -5.326 3.406 223 HA GLN 29 HA GLN 29 -11.654 -3.351 4.549 224 1HB GLN 29 2HB GLN 29 -11.649 -4.683 6.560 225 2HB GLN 29 3HB GLN 29 -11.898 -5.635 5.096 226 1HG GLN 29 2HG GLN 29 -9.116 -5.663 5.452 227 2HG GLN 29 3HG GLN 29 -9.751 -5.769 7.092 228 1HE2 GLN 29 2HE2 GLN 29 -8.762 -7.623 4.488 229 2HE2 GLN 29 1HE2 GLN 29 -9.733 -9.053 4.789 230 H GLY 30 HN GLY 30 -11.043 -1.347 5.115 231 1HA GLY 30 1HA GLY 30 -10.146 -0.073 6.969 232 2HA GLY 30 2HA GLY 30 -8.655 -1.026 6.912 233 H VAL 31 HN VAL 31 -9.075 -0.708 3.693 234 HA VAL 31 HA VAL 31 -7.269 1.578 3.623 235 HB VAL 31 HB VAL 31 -8.352 -0.530 1.714 236 1HG1 VAL 31 1HG1 VAL 31 -6.983 0.472 -0.086 237 2HG1 VAL 31 2HG1 VAL 31 -8.410 1.414 0.359 238 3HG1 VAL 31 3HG1 VAL 31 -6.793 1.938 0.912 239 1HG2 VAL 31 1HG2 VAL 31 -6.428 -1.103 3.178 240 2HG2 VAL 31 2HG2 VAL 31 -5.960 -1.055 1.468 241 3HG2 VAL 31 3HG2 VAL 31 -5.533 0.294 2.541 242 H GLN 32 HN GLN 32 -7.809 3.568 3.162 243 HA GLN 32 HA GLN 32 -10.602 4.229 2.414 244 1HB GLN 32 2HB GLN 32 -8.652 5.383 4.161 245 2HB GLN 32 3HB GLN 32 -9.183 6.588 2.973 246 1HG GLN 32 2HG GLN 32 -11.095 4.862 4.598 247 2HG GLN 32 3HG GLN 32 -10.486 6.425 5.130 248 1HE2 GLN 32 2HE2 GLN 32 -12.979 6.797 5.111 249 2HE2 GLN 32 1HE2 GLN 32 -13.641 7.385 3.599 250 H ARG 33 HN ARG 33 -7.136 4.967 1.470 251 HA ARG 33 HA ARG 33 -8.044 4.814 -1.276 252 1HB ARG 33 2HB ARG 33 -8.343 7.302 -0.273 253 2HB ARG 33 3HB ARG 33 -6.625 7.417 -0.614 254 1HG ARG 33 2HG ARG 33 -6.970 7.562 -2.878 255 2HG ARG 33 3HG ARG 33 -8.140 6.247 -2.874 256 1HD ARG 33 2HD ARG 33 -9.527 7.950 -3.516 257 2HD ARG 33 3HD ARG 33 -9.820 7.880 -1.802 258 HE ARG 33 HE ARG 33 -8.940 9.981 -1.533 259 1HH1 ARG 33 1HH2 ARG 33 -7.928 8.723 -4.655 260 2HH1 ARG 33 2HH2 ARG 33 -7.575 10.260 -5.379 261 1HH2 ARG 33 1HH1 ARG 33 -8.473 12.086 -2.439 262 2HH2 ARG 33 2HH1 ARG 33 -7.851 12.221 -4.050 263 H ILE 34 HN ILE 34 -6.134 5.292 -2.812 264 HA ILE 34 HA ILE 34 -3.556 4.549 -1.672 265 HB ILE 34 HB ILE 34 -4.736 2.426 -2.038 266 1HG1 ILE 34 2HG1 ILE 34 -2.659 2.730 -4.195 267 2HG1 ILE 34 3HG1 ILE 34 -2.221 2.884 -2.497 268 1HG2 ILE 34 1HG2 ILE 34 -4.942 3.298 -4.953 269 2HG2 ILE 34 2HG2 ILE 34 -5.352 1.681 -4.378 270 3HG2 ILE 34 3HG2 ILE 34 -6.302 3.058 -3.851 271 1HD1 ILE 34 1HD1 ILE 34 -3.447 0.397 -3.739 272 2HD1 ILE 34 2HD1 ILE 34 -1.790 0.601 -3.156 273 3HD1 ILE 34 3HD1 ILE 34 -3.144 0.637 -2.019 274 H LYS 35 HN LYS 35 -1.819 5.082 -2.974 275 HA LYS 35 HA LYS 35 -2.190 6.120 -5.713 276 1HB LYS 35 2HB LYS 35 -0.822 7.649 -3.473 277 2HB LYS 35 3HB LYS 35 -0.558 7.914 -5.189 278 1HG LYS 35 2HG LYS 35 -2.110 9.459 -5.042 279 2HG LYS 35 3HG LYS 35 -3.271 8.134 -5.167 280 1HD LYS 35 2HD LYS 35 -3.592 8.104 -2.758 281 2HD LYS 35 3HD LYS 35 -2.174 9.140 -2.499 282 1HE LYS 35 2HE LYS 35 -3.328 10.984 -3.781 283 2HE LYS 35 3HE LYS 35 -4.786 9.980 -3.833 284 1HZ LYS 35 1HZ LYS 35 -3.418 10.931 -1.391 285 2HZ LYS 35 2HZ LYS 35 -4.779 11.583 -2.021 286 3HZ LYS 35 3HZ LYS 35 -4.806 10.050 -1.417 287 H VAL 36 HN VAL 36 -1.082 4.284 -6.492 288 HA VAL 36 HA VAL 36 1.634 3.658 -5.390 289 HB VAL 36 HB VAL 36 -0.147 2.133 -7.297 290 1HG1 VAL 36 1HG1 VAL 36 2.392 1.782 -7.614 291 2HG1 VAL 36 2HG1 VAL 36 2.427 1.127 -5.999 292 3HG1 VAL 36 3HG1 VAL 36 1.443 0.328 -7.223 293 1HG2 VAL 36 1HG2 VAL 36 -0.749 0.713 -5.564 294 2HG2 VAL 36 2HG2 VAL 36 0.682 1.070 -4.591 295 3HG2 VAL 36 3HG2 VAL 36 -0.620 2.244 -4.672 296 H SER 37 HN SER 37 3.472 4.308 -6.485 297 HA SER 37 HA SER 37 3.064 5.604 -9.135 298 1HB SER 37 2HB SER 37 3.936 6.907 -7.181 299 2HB SER 37 3HB SER 37 5.397 5.898 -7.253 300 HG SER 37 HG SER 37 5.571 7.844 -8.501 301 H LEU 38 HN LEU 38 3.479 4.284 -10.778 302 HA LEU 38 HA LEU 38 5.226 1.987 -10.732 303 1HB LEU 38 2HB LEU 38 3.220 2.964 -12.434 304 2HB LEU 38 3HB LEU 38 4.670 3.247 -13.371 305 HG LEU 38 HG LEU 38 3.838 0.470 -12.296 306 1HD1 LEU 38 1HD1 LEU 38 2.221 1.283 -13.781 307 2HD1 LEU 38 2HD1 LEU 38 3.465 1.818 -14.923 308 3HD1 LEU 38 3HD1 LEU 38 3.270 0.067 -14.529 309 1HD2 LEU 38 1HD2 LEU 38 5.496 -0.284 -13.907 310 2HD2 LEU 38 2HD2 LEU 38 6.119 1.377 -14.055 311 3HD2 LEU 38 3HD2 LEU 38 6.197 0.472 -12.508 312 H ASP 39 HN ASP 39 7.244 1.914 -12.081 313 HA ASP 39 HA ASP 39 9.317 2.426 -12.602 314 1HB ASP 39 2HB ASP 39 8.409 5.310 -12.561 315 2HB ASP 39 3HB ASP 39 10.012 4.756 -12.978 316 H ASN 40 HN ASN 40 8.056 4.886 -10.381 317 HA ASN 40 HA ASN 40 10.417 5.212 -9.046 318 1HB ASN 40 2HB ASN 40 8.284 6.674 -9.093 319 2HB ASN 40 3HB ASN 40 7.735 5.704 -7.729 320 1HD2 ASN 40 2HD2 ASN 40 10.399 5.504 -6.364 321 2HD2 ASN 40 1HD2 ASN 40 10.740 7.144 -5.835 322 H GLN 41 HN GLN 41 7.882 2.924 -8.615 323 HA GLN 41 HA GLN 41 7.498 1.050 -7.399 324 1HB GLN 41 2HB GLN 41 10.300 1.218 -6.235 325 2HB GLN 41 3HB GLN 41 9.246 -0.200 -6.385 326 1HG GLN 41 2HG GLN 41 9.286 0.202 -8.877 327 2HG GLN 41 3HG GLN 41 10.532 1.416 -8.560 328 1HE2 GLN 41 2HE2 GLN 41 12.618 0.746 -7.707 329 2HE2 GLN 41 1HE2 GLN 41 13.115 -0.937 -7.679 330 H GLU 42 HN GLU 42 7.421 3.783 -6.356 331 HA GLU 42 HA GLU 42 7.316 3.291 -3.376 332 1HB GLU 42 2HB GLU 42 8.744 5.228 -4.527 333 2HB GLU 42 3HB GLU 42 7.183 6.047 -4.557 334 1HG GLU 42 2HG GLU 42 8.157 6.750 -2.558 335 2HG GLU 42 3HG GLU 42 7.084 5.447 -1.993 336 H ALA 43 HN ALA 43 5.309 3.519 -2.292 337 HA ALA 43 HA ALA 43 3.009 4.595 -3.863 338 1HB ALA 43 1HB ALA 43 3.056 2.204 -4.281 339 2HB ALA 43 2HB ALA 43 3.095 1.864 -2.561 340 3HB ALA 43 3HB ALA 43 1.662 2.641 -3.249 341 H THR 44 HN THR 44 1.164 5.184 -2.502 342 HA THR 44 HA THR 44 1.799 5.549 0.352 343 HB THR 44 HB THR 44 0.634 7.474 -1.705 344 HG1 THR 44 1HG THR 44 2.453 8.676 -1.297 345 1HG2 THR 44 1HG2 THR 44 1.126 7.762 1.270 346 2HG2 THR 44 2HG2 THR 44 0.611 9.086 0.187 347 3HG2 THR 44 3HG2 THR 44 -0.458 7.696 0.456 348 H ILE 45 HN ILE 45 0.094 4.697 1.546 349 HA ILE 45 HA ILE 45 -2.519 4.320 0.180 350 HB ILE 45 HB ILE 45 -1.462 2.536 2.311 351 1HG1 ILE 45 2HG1 ILE 45 -1.894 1.750 -0.557 352 2HG1 ILE 45 3HG1 ILE 45 -0.352 2.489 -0.202 353 1HG2 ILE 45 1HG2 ILE 45 -3.863 2.320 0.421 354 2HG2 ILE 45 2HG2 ILE 45 -3.379 1.123 1.621 355 3HG2 ILE 45 3HG2 ILE 45 -3.978 2.690 2.140 356 1HD1 ILE 45 1HD1 ILE 45 -1.255 0.308 1.599 357 2HD1 ILE 45 2HD1 ILE 45 -0.614 -0.084 -0.018 358 3HD1 ILE 45 3HD1 ILE 45 0.366 0.850 1.146 359 H VAL 46 HN VAL 46 -4.371 4.774 1.703 360 HA VAL 46 HA VAL 46 -3.602 6.075 4.238 361 HB VAL 46 HB VAL 46 -4.232 7.750 2.613 362 1HG1 VAL 46 1HG1 VAL 46 -5.864 6.561 1.476 363 2HG1 VAL 46 2HG1 VAL 46 -6.929 6.566 2.916 364 3HG1 VAL 46 3HG1 VAL 46 -6.541 8.095 2.080 365 1HG2 VAL 46 1HG2 VAL 46 -5.749 8.959 4.211 366 2HG2 VAL 46 2HG2 VAL 46 -5.946 7.450 5.127 367 3HG2 VAL 46 3HG2 VAL 46 -4.354 8.237 5.018 368 H TYR 47 HN TYR 47 -4.312 4.964 5.927 369 HA TYR 47 HA TYR 47 -6.817 3.509 5.948 370 1HB TYR 47 2HB TYR 47 -5.870 1.283 6.322 371 2HB TYR 47 3HB TYR 47 -5.422 1.885 4.740 372 HD1 TYR 47 1HD TYR 47 -3.167 2.109 4.086 373 HD2 TYR 47 2HD TYR 47 -4.085 1.297 8.217 374 HE1 TYR 47 1HE TYR 47 -0.954 1.072 4.383 375 HE2 TYR 47 2HE TYR 47 -1.769 0.573 8.567 376 HH TYR 47 HH TYR 47 -0.006 -0.643 7.311 377 H GLN 48 HN GLN 48 -6.773 2.098 8.212 378 HA GLN 48 HA GLN 48 -5.104 3.453 10.169 379 1HB GLN 48 2HB GLN 48 -7.334 3.355 11.548 380 2HB GLN 48 3HB GLN 48 -6.935 4.761 10.518 381 1HG GLN 48 2HG GLN 48 -8.347 3.932 8.784 382 2HG GLN 48 3HG GLN 48 -8.604 2.399 9.651 383 1HE2 GLN 48 2HE2 GLN 48 -10.281 5.118 8.816 384 2HE2 GLN 48 1HE2 GLN 48 -11.246 5.323 10.259 385 HA PRO 49 HA PRO 49 -4.612 -0.579 11.690 386 1HB PRO 49 2HB PRO 49 -3.513 -0.203 14.113 387 2HB PRO 49 3HB PRO 49 -2.759 0.496 12.655 388 1HG PRO 49 2HG PRO 49 -4.585 1.913 14.614 389 2HG PRO 49 3HG PRO 49 -2.995 2.453 14.000 390 1HD PRO 49 2HD PRO 49 -5.400 3.237 12.891 391 2HD PRO 49 3HD PRO 49 -3.888 3.093 11.966 392 H HIS 50 HN HIS 50 -7.104 -0.450 11.532 393 HA HIS 50 HA HIS 50 -8.302 -1.298 14.146 394 1HB HIS 50 2HB HIS 50 -9.099 0.953 12.423 395 2HB HIS 50 3HB HIS 50 -10.383 -0.249 12.508 396 HD1 HIS 50 1HD HIS 50 -8.425 2.093 14.828 397 HD2 HIS 50 2HD HIS 50 -11.652 -0.605 14.814 398 HE1 HIS 50 1HE HIS 50 -9.663 2.416 17.045 399 H LEU 51 HN LEU 51 -8.973 -1.143 10.630 400 HA LEU 51 HA LEU 51 -10.031 -3.896 10.699 401 1HB LEU 51 2HB LEU 51 -9.902 -1.678 8.680 402 2HB LEU 51 3HB LEU 51 -10.392 -3.308 8.203 403 HG LEU 51 HG LEU 51 -11.725 -1.799 10.488 404 1HD1 LEU 51 1HD1 LEU 51 -13.506 -1.207 8.884 405 2HD1 LEU 51 2HD1 LEU 51 -11.953 -0.454 8.486 406 3HD1 LEU 51 3HD1 LEU 51 -12.519 -1.863 7.554 407 1HD2 LEU 51 1HD2 LEU 51 -12.770 -3.772 10.786 408 2HD2 LEU 51 2HD2 LEU 51 -13.512 -3.587 9.189 409 3HD2 LEU 51 3HD2 LEU 51 -12.000 -4.486 9.361 410 H ILE 52 HN ILE 52 -6.908 -2.342 9.951 411 HA ILE 52 HA ILE 52 -6.058 -4.846 8.649 412 HB ILE 52 HB ILE 52 -6.314 -2.848 7.164 413 1HG1 ILE 52 2HG1 ILE 52 -4.147 -3.148 6.091 414 2HG1 ILE 52 3HG1 ILE 52 -3.524 -4.074 7.451 415 1HG2 ILE 52 1HG2 ILE 52 -3.836 -1.874 8.588 416 2HG2 ILE 52 2HG2 ILE 52 -4.751 -1.086 7.275 417 3HG2 ILE 52 3HG2 ILE 52 -5.471 -1.258 8.891 418 1HD1 ILE 52 1HD1 ILE 52 -6.098 -4.834 6.019 419 2HD1 ILE 52 2HD1 ILE 52 -4.512 -5.350 5.399 420 3HD1 ILE 52 3HD1 ILE 52 -5.050 -5.872 7.014 421 H SER 53 HN SER 53 -4.128 -5.722 9.273 422 HA SER 53 HA SER 53 -3.285 -5.017 11.944 423 1HB SER 53 2HB SER 53 -2.339 -7.107 10.081 424 2HB SER 53 3HB SER 53 -1.940 -7.035 11.808 425 HG SER 53 HG SER 53 -4.218 -7.955 10.596 426 H VAL 54 HN VAL 54 -2.640 -3.167 9.856 427 HA VAL 54 HA VAL 54 -1.169 -1.603 9.357 428 HB VAL 54 HB VAL 54 -0.500 -2.314 11.976 429 1HG1 VAL 54 1HG1 VAL 54 2.008 -1.901 10.318 430 2HG1 VAL 54 2HG1 VAL 54 1.903 -1.789 12.093 431 3HG1 VAL 54 3HG1 VAL 54 1.636 -3.345 11.305 432 1HG2 VAL 54 1HG2 VAL 54 0.312 0.001 12.033 433 2HG2 VAL 54 2HG2 VAL 54 0.414 -0.002 10.256 434 3HG2 VAL 54 3HG2 VAL 54 -1.167 -0.145 11.065 435 H GLU 55 HN GLU 55 0.662 -4.550 9.871 436 HA GLU 55 HA GLU 55 2.468 -4.069 7.658 437 1HB GLU 55 2HB GLU 55 2.857 -5.351 9.870 438 2HB GLU 55 3HB GLU 55 1.972 -6.647 9.058 439 1HG GLU 55 2HG GLU 55 4.334 -7.005 8.828 440 2HG GLU 55 3HG GLU 55 3.677 -6.606 7.226 441 H GLU 56 HN GLU 56 -0.467 -5.998 8.335 442 HA GLU 56 HA GLU 56 -0.531 -7.819 6.301 443 1HB GLU 56 2HB GLU 56 -2.628 -6.321 7.814 444 2HB GLU 56 3HB GLU 56 -3.124 -6.934 6.238 445 1HG GLU 56 2HG GLU 56 -2.390 -9.181 6.764 446 2HG GLU 56 3HG GLU 56 -2.014 -8.678 8.428 447 H MET 57 HN MET 57 -1.690 -4.429 6.035 448 HA MET 57 HA MET 57 -2.703 -4.394 3.603 449 1HB MET 57 2HB MET 57 -1.888 -2.529 5.508 450 2HB MET 57 3HB MET 57 -0.917 -2.063 4.113 451 1HG MET 57 2HG MET 57 -3.952 -2.470 4.107 452 2HG MET 57 3HG MET 57 -3.082 -0.985 4.349 453 1HE MET 57 1HE MET 57 -4.875 -3.260 2.120 454 2HE MET 57 2HE MET 57 -4.200 -3.060 0.507 455 3HE MET 57 3HE MET 57 -3.351 -4.065 1.641 456 H LYS 58 HN LYS 58 0.789 -4.029 4.328 457 HA LYS 58 HA LYS 58 1.599 -3.874 1.546 458 1HB LYS 58 2HB LYS 58 2.872 -2.839 3.274 459 2HB LYS 58 3HB LYS 58 3.122 -4.369 4.130 460 1HG LYS 58 2HG LYS 58 3.979 -4.279 1.258 461 2HG LYS 58 3HG LYS 58 4.892 -3.250 2.343 462 1HD LYS 58 2HD LYS 58 4.423 -6.215 2.748 463 2HD LYS 58 3HD LYS 58 5.840 -5.554 1.956 464 1HE LYS 58 2HE LYS 58 6.195 -4.283 4.268 465 2HE LYS 58 3HE LYS 58 5.008 -5.452 4.854 466 1HZ LYS 58 1HZ LYS 58 7.666 -5.959 3.706 467 2HZ LYS 58 2HZ LYS 58 7.091 -6.307 5.226 468 3HZ LYS 58 3HZ LYS 58 6.558 -7.134 3.858 469 H LYS 59 HN LYS 59 1.433 -6.463 4.030 470 HA LYS 59 HA LYS 59 2.750 -8.485 2.516 471 1HB LYS 59 2HB LYS 59 0.534 -8.858 4.536 472 2HB LYS 59 3HB LYS 59 1.674 -10.070 3.992 473 1HG LYS 59 2HG LYS 59 2.277 -7.570 5.616 474 2HG LYS 59 3HG LYS 59 2.360 -9.219 6.174 475 1HD LYS 59 2HD LYS 59 4.205 -7.917 4.090 476 2HD LYS 59 3HD LYS 59 4.589 -8.183 5.771 477 1HE LYS 59 2HE LYS 59 4.177 -10.685 5.474 478 2HE LYS 59 3HE LYS 59 3.906 -10.397 3.747 479 1HZ LYS 59 1HZ LYS 59 6.432 -9.943 5.167 480 2HZ LYS 59 2HZ LYS 59 6.098 -11.136 4.079 481 3HZ LYS 59 3HZ LYS 59 6.132 -9.569 3.590 482 H GLN 60 HN GLN 60 -0.596 -7.296 2.292 483 HA GLN 60 HA GLN 60 -1.626 -9.423 0.690 484 1HB GLN 60 2HB GLN 60 -2.383 -6.496 0.728 485 2HB GLN 60 3HB GLN 60 -3.356 -7.815 0.119 486 1HG GLN 60 2HG GLN 60 -2.477 -8.310 2.885 487 2HG GLN 60 3HG GLN 60 -3.252 -6.731 2.735 488 1HE2 GLN 60 2HE2 GLN 60 -4.615 -8.242 4.461 489 2HE2 GLN 60 1HE2 GLN 60 -5.956 -9.034 3.697 490 H ILE 61 HN ILE 61 -0.029 -6.376 0.002 491 HA ILE 61 HA ILE 61 0.055 -6.687 -2.909 492 HB ILE 61 HB ILE 61 1.619 -4.948 -1.035 493 1HG1 ILE 61 2HG1 ILE 61 0.492 -3.282 -2.829 494 2HG1 ILE 61 3HG1 ILE 61 -0.658 -4.588 -3.021 495 1HG2 ILE 61 1HG2 ILE 61 3.148 -5.552 -2.915 496 2HG2 ILE 61 2HG2 ILE 61 1.873 -5.118 -4.071 497 3HG2 ILE 61 3HG2 ILE 61 2.610 -3.882 -3.029 498 1HD1 ILE 61 1HD1 ILE 61 0.122 -3.291 -0.377 499 2HD1 ILE 61 2HD1 ILE 61 -1.295 -2.834 -1.341 500 3HD1 ILE 61 3HD1 ILE 61 -1.200 -4.465 -0.641 501 H GLU 62 HN GLU 62 2.372 -7.646 -0.280 502 HA GLU 62 HA GLU 62 4.455 -8.514 -1.963 503 1HB GLU 62 2HB GLU 62 3.638 -9.824 0.649 504 2HB GLU 62 3HB GLU 62 5.131 -10.060 -0.271 505 1HG GLU 62 2HG GLU 62 5.280 -7.455 -0.201 506 2HG GLU 62 3HG GLU 62 4.211 -7.585 1.170 507 H ALA 63 HN ALA 63 1.658 -10.214 -0.665 508 HA ALA 63 HA ALA 63 1.909 -12.711 -1.843 509 1HB ALA 63 1HB ALA 63 -0.458 -12.977 -1.216 510 2HB ALA 63 2HB ALA 63 0.455 -12.130 0.056 511 3HB ALA 63 3HB ALA 63 -0.604 -11.215 -1.029 512 H MET 64 HN MET 64 0.946 -9.747 -3.505 513 HA MET 64 HA MET 64 -0.547 -11.012 -5.638 514 1HB MET 64 2HB MET 64 1.164 -8.485 -5.640 515 2HB MET 64 3HB MET 64 0.100 -8.991 -6.935 516 1HG MET 64 2HG MET 64 -0.820 -8.421 -4.102 517 2HG MET 64 3HG MET 64 -0.916 -7.264 -5.423 518 1HE MET 64 1HE MET 64 -1.946 -8.945 -7.902 519 2HE MET 64 2HE MET 64 -3.690 -8.730 -7.699 520 3HE MET 64 3HE MET 64 -2.587 -7.370 -7.378 521 H GLY 65 HN GLY 65 2.836 -10.688 -4.802 522 1HA GLY 65 1HA GLY 65 4.233 -12.553 -5.527 523 2HA GLY 65 2HA GLY 65 3.609 -12.378 -7.172 524 H PHE 66 HN PHE 66 4.687 -9.836 -4.860 525 HA PHE 66 HA PHE 66 7.057 -9.244 -6.521 526 1HB PHE 66 2HB PHE 66 4.841 -7.242 -5.926 527 2HB PHE 66 3HB PHE 66 6.421 -6.818 -6.561 528 HD1 PHE 66 1HD PHE 66 3.075 -7.743 -7.459 529 HD2 PHE 66 2HD PHE 66 7.173 -8.091 -8.759 530 HE1 PHE 66 1HE PHE 66 2.306 -8.392 -9.726 531 HE2 PHE 66 2HE PHE 66 6.400 -8.846 -10.981 532 HZ PHE 66 HZ PHE 66 3.966 -9.019 -11.467 533 HA PRO 67 HA PRO 67 8.126 -8.959 -2.163 534 1HB PRO 67 2HB PRO 67 10.739 -8.138 -2.306 535 2HB PRO 67 3HB PRO 67 10.216 -9.783 -2.772 536 1HG PRO 67 2HG PRO 67 10.676 -7.409 -4.603 537 2HG PRO 67 3HG PRO 67 11.309 -9.070 -4.790 538 1HD PRO 67 2HD PRO 67 9.071 -8.215 -6.081 539 2HD PRO 67 3HD PRO 67 9.172 -9.888 -5.447 540 H ALA 68 HN ALA 68 7.051 -7.325 -1.074 541 HA ALA 68 HA ALA 68 7.589 -4.509 -1.925 542 1HB ALA 68 1HB ALA 68 5.264 -5.675 -2.156 543 2HB ALA 68 2HB ALA 68 5.134 -5.360 -0.413 544 3HB ALA 68 3HB ALA 68 5.360 -4.025 -1.536 545 H PHE 69 HN PHE 69 6.795 -3.117 0.225 546 HA PHE 69 HA PHE 69 7.880 -4.200 2.605 547 1HB PHE 69 2HB PHE 69 9.924 -3.607 0.962 548 2HB PHE 69 3HB PHE 69 9.677 -1.996 1.600 549 HD1 PHE 69 1HD PHE 69 10.621 -5.479 2.352 550 HD2 PHE 69 2HD PHE 69 10.213 -1.498 3.975 551 HE1 PHE 69 1HE PHE 69 11.903 -6.156 4.356 552 HE2 PHE 69 2HE PHE 69 11.378 -2.215 6.026 553 HZ PHE 69 HZ PHE 69 12.245 -4.542 6.227 554 H VAL 70 HN VAL 70 7.985 -2.567 4.414 555 HA VAL 70 HA VAL 70 5.934 -0.416 4.045 556 HB VAL 70 HB VAL 70 6.602 -2.378 6.254 557 1HG1 VAL 70 1HG1 VAL 70 6.587 -0.235 7.465 558 2HG1 VAL 70 2HG1 VAL 70 5.039 0.186 6.679 559 3HG1 VAL 70 3HG1 VAL 70 5.137 -1.202 7.786 560 1HG2 VAL 70 1HG2 VAL 70 3.928 -1.336 5.203 561 2HG2 VAL 70 2HG2 VAL 70 4.772 -2.732 4.546 562 3HG2 VAL 70 3HG2 VAL 70 4.212 -2.765 6.223 563 H LYS 71 HN LYS 71 6.830 1.576 4.038 564 HA LYS 71 HA LYS 71 9.463 2.015 5.406 565 1HB LYS 71 2HB LYS 71 7.974 3.602 3.292 566 2HB LYS 71 3HB LYS 71 9.213 4.311 4.330 567 1HG LYS 71 2HG LYS 71 10.836 2.577 3.577 568 2HG LYS 71 3HG LYS 71 9.612 1.962 2.441 569 1HD LYS 71 2HD LYS 71 9.492 4.119 1.319 570 2HD LYS 71 3HD LYS 71 10.527 4.884 2.536 571 1HE LYS 71 2HE LYS 71 12.469 3.606 1.822 572 2HE LYS 71 3HE LYS 71 11.485 2.643 0.720 573 1HZ LYS 71 1HZ LYS 71 11.997 5.530 0.479 574 2HZ LYS 71 2HZ LYS 71 12.550 4.349 -0.527 575 3HZ LYS 71 3HZ LYS 71 10.944 4.725 -0.457 576 H LYS 72 HN LYS 72 6.347 3.793 5.061 577 HA LYS 72 HA LYS 72 6.868 5.002 7.735 578 1HB LYS 72 2HB LYS 72 5.919 6.095 5.382 579 2HB LYS 72 3HB LYS 72 4.424 5.856 6.298 580 1HG LYS 72 2HG LYS 72 5.185 7.269 8.066 581 2HG LYS 72 3HG LYS 72 6.869 7.212 7.497 582 1HD LYS 72 2HD LYS 72 6.321 8.437 5.480 583 2HD LYS 72 3HD LYS 72 4.593 8.461 5.907 584 1HE LYS 72 2HE LYS 72 5.025 9.839 7.870 585 2HE LYS 72 3HE LYS 72 6.778 9.672 7.678 586 1HZ LYS 72 1HZ LYS 72 5.013 11.058 5.770 587 2HZ LYS 72 2HZ LYS 72 5.968 11.783 6.894 588 3HZ LYS 72 3HZ LYS 72 6.655 10.934 5.668 589 H ILE 73 HN ILE 73 4.543 5.261 9.066 590 HA ILE 73 HA ILE 73 2.840 3.003 8.873 591 HB ILE 73 HB ILE 73 5.127 2.245 9.909 592 1HG1 ILE 73 2HG1 ILE 73 2.713 1.533 11.542 593 2HG1 ILE 73 3HG1 ILE 73 2.865 1.053 9.841 594 1HG2 ILE 73 1HG2 ILE 73 5.406 2.654 12.256 595 2HG2 ILE 73 2HG2 ILE 73 5.202 4.210 11.422 596 3HG2 ILE 73 3HG2 ILE 73 3.847 3.506 12.333 597 1HD1 ILE 73 1HD1 ILE 73 4.974 0.414 11.950 598 2HD1 ILE 73 2HD1 ILE 73 3.770 -0.722 11.333 599 3HD1 ILE 73 3HD1 ILE 73 4.991 -0.067 10.239 600 H GLU 74 HN GLU 74 1.082 3.244 10.685 601 HA GLU 74 HA GLU 74 0.399 5.933 10.901 602 1HB GLU 74 2HB GLU 74 -0.657 3.602 12.511 603 2HB GLU 74 3HB GLU 74 -1.365 5.220 12.444 604 1HG GLU 74 2HG GLU 74 -2.579 4.349 10.736 605 2HG GLU 74 3HG GLU 74 -1.155 4.732 9.755 606 H GLY 75 HN GLY 75 0.354 7.418 12.595 607 1HA GLY 75 1HA GLY 75 2.250 6.979 14.869 608 2HA GLY 75 2HA GLY 75 1.834 8.519 14.117 609 H ARG 76 HN ARG 76 0.036 5.756 15.532 610 HA ARG 76 HA ARG 76 -1.284 5.560 17.316 611 1HB ARG 76 2HB ARG 76 0.523 7.290 18.214 612 2HB ARG 76 3HB ARG 76 -0.826 8.411 18.204 613 1HG ARG 76 2HG ARG 76 -1.738 6.000 19.501 614 2HG ARG 76 3HG ARG 76 -0.092 6.284 20.083 615 1HD ARG 76 2HD ARG 76 -1.688 7.379 21.551 616 2HD ARG 76 3HD ARG 76 -0.758 8.633 20.685 617 HE ARG 76 HE ARG 76 -2.907 8.116 19.040 618 1HH1 ARG 76 1HH2 ARG 76 -2.633 9.297 22.340 619 2HH1 ARG 76 2HH2 ARG 76 -4.211 10.032 22.377 620 1HH2 ARG 76 1HH1 ARG 76 -4.881 9.006 18.999 621 2HH2 ARG 76 2HH1 ARG 76 -5.577 9.869 20.356 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -11.543 7.047 10.588 2 2H GLY 1 2H GLY 1 -11.856 8.366 11.562 3 3H GLY 1 3H GLY 1 -11.105 8.538 10.083 4 1HA GLY 1 1HA GLY 1 -9.406 8.660 11.730 5 2HA GLY 1 2HA GLY 1 -10.012 7.140 12.433 6 H GLU 2 HN GLU 2 -7.493 8.156 10.623 7 HA GLU 2 HA GLU 2 -6.951 5.856 9.047 8 1HB GLU 2 2HB GLU 2 -7.423 6.989 6.857 9 2HB GLU 2 3HB GLU 2 -8.883 6.576 7.723 10 1HG GLU 2 2HG GLU 2 -8.937 9.008 8.590 11 2HG GLU 2 3HG GLU 2 -7.611 9.333 7.466 12 H VAL 3 HN VAL 3 -4.841 6.195 8.077 13 HA VAL 3 HA VAL 3 -3.583 8.843 8.335 14 HB VAL 3 HB VAL 3 -2.359 6.341 9.542 15 1HG1 VAL 3 1HG1 VAL 3 -0.735 7.941 10.515 16 2HG1 VAL 3 2HG1 VAL 3 -0.720 8.044 8.771 17 3HG1 VAL 3 3HG1 VAL 3 -1.568 9.286 9.721 18 1HG2 VAL 3 1HG2 VAL 3 -4.220 6.924 11.017 19 2HG2 VAL 3 2HG2 VAL 3 -2.716 7.403 11.784 20 3HG2 VAL 3 3HG2 VAL 3 -3.720 8.636 11.017 21 H VAL 4 HN VAL 4 -1.768 9.040 6.938 22 HA VAL 4 HA VAL 4 -1.790 7.284 4.627 23 HB VAL 4 HB VAL 4 -0.533 9.956 5.345 24 1HG1 VAL 4 1HG1 VAL 4 -0.151 8.233 2.895 25 2HG1 VAL 4 2HG1 VAL 4 0.163 9.991 2.904 26 3HG1 VAL 4 3HG1 VAL 4 1.101 8.921 3.957 27 1HG2 VAL 4 1HG2 VAL 4 -2.552 9.169 3.199 28 2HG2 VAL 4 2HG2 VAL 4 -2.989 9.895 4.763 29 3HG2 VAL 4 3HG2 VAL 4 -2.014 10.809 3.601 30 H LEU 5 HN LEU 5 -0.216 5.752 4.210 31 HA LEU 5 HA LEU 5 2.397 5.893 5.591 32 1HB LEU 5 2HB LEU 5 2.361 3.924 6.292 33 2HB LEU 5 3HB LEU 5 0.655 4.195 6.449 34 HG LEU 5 HG LEU 5 1.038 2.005 5.684 35 1HD1 LEU 5 1HD1 LEU 5 0.177 3.648 3.278 36 2HD1 LEU 5 2HD1 LEU 5 -0.224 1.952 3.591 37 3HD1 LEU 5 3HD1 LEU 5 -0.869 3.242 4.645 38 1HD2 LEU 5 1HD2 LEU 5 3.324 2.804 4.609 39 2HD2 LEU 5 2HD2 LEU 5 2.517 1.287 4.142 40 3HD2 LEU 5 3HD2 LEU 5 2.368 2.726 3.114 41 H LYS 6 HN LYS 6 4.128 4.901 4.340 42 HA LYS 6 HA LYS 6 3.672 5.030 1.410 43 1HB LYS 6 2HB LYS 6 4.854 7.040 2.203 44 2HB LYS 6 3HB LYS 6 6.190 6.018 2.771 45 1HG LYS 6 2HG LYS 6 6.885 5.476 0.626 46 2HG LYS 6 3HG LYS 6 5.256 5.454 -0.007 47 1HD LYS 6 2HD LYS 6 5.985 7.189 -1.114 48 2HD LYS 6 3HD LYS 6 5.241 8.035 0.226 49 1HE LYS 6 2HE LYS 6 7.396 8.406 1.313 50 2HE LYS 6 3HE LYS 6 8.222 7.331 0.177 51 1HZ LYS 6 1HZ LYS 6 6.964 9.878 -0.570 52 2HZ LYS 6 2HZ LYS 6 8.580 9.608 -0.388 53 3HZ LYS 6 3HZ LYS 6 7.753 8.844 -1.582 54 H MET 7 HN MET 7 4.150 3.113 0.477 55 HA MET 7 HA MET 7 5.900 1.200 1.887 56 1HB MET 7 2HB MET 7 4.449 -0.556 1.534 57 2HB MET 7 3HB MET 7 3.515 0.748 2.212 58 1HG MET 7 2HG MET 7 2.096 0.218 0.625 59 2HG MET 7 3HG MET 7 3.123 1.197 -0.435 60 1HE MET 7 1HE MET 7 0.974 -1.158 -1.328 61 2HE MET 7 2HE MET 7 1.886 -0.187 -2.501 62 3HE MET 7 3HE MET 7 1.919 -1.949 -2.611 63 H LYS 8 HN LYS 8 7.094 -0.137 0.629 64 HA LYS 8 HA LYS 8 7.984 0.973 -1.940 65 1HB LYS 8 2HB LYS 8 9.211 -0.238 0.397 66 2HB LYS 8 3HB LYS 8 9.559 -1.272 -0.979 67 1HG LYS 8 2HG LYS 8 10.048 1.740 -0.917 68 2HG LYS 8 3HG LYS 8 11.258 0.506 -0.488 69 1HD LYS 8 2HD LYS 8 10.987 -0.544 -2.678 70 2HD LYS 8 3HD LYS 8 9.910 0.737 -3.214 71 1HE LYS 8 2HE LYS 8 12.779 1.171 -2.297 72 2HE LYS 8 3HE LYS 8 12.334 0.866 -3.974 73 1HZ LYS 8 1HZ LYS 8 11.086 3.102 -2.518 74 2HZ LYS 8 2HZ LYS 8 12.531 3.271 -3.308 75 3HZ LYS 8 3HZ LYS 8 11.152 2.865 -4.106 76 H VAL 9 HN VAL 9 7.681 -0.123 -3.804 77 HA VAL 9 HA VAL 9 6.307 -2.774 -3.839 78 HB VAL 9 HB VAL 9 5.936 -0.412 -5.751 79 1HG1 VAL 9 1HG1 VAL 9 4.275 -2.936 -5.284 80 2HG1 VAL 9 2HG1 VAL 9 3.940 -1.655 -6.465 81 3HG1 VAL 9 3HG1 VAL 9 5.360 -2.684 -6.661 82 1HG2 VAL 9 1HG2 VAL 9 4.221 -1.259 -3.421 83 2HG2 VAL 9 2HG2 VAL 9 5.057 0.307 -3.587 84 3HG2 VAL 9 3HG2 VAL 9 3.723 -0.108 -4.674 85 H GLU 10 HN GLU 10 8.801 -3.356 -3.882 86 HA GLU 10 HA GLU 10 10.168 -2.582 -6.326 87 1HB GLU 10 2HB GLU 10 10.989 -4.781 -4.386 88 2HB GLU 10 3HB GLU 10 11.970 -3.975 -5.620 89 1HG GLU 10 2HG GLU 10 11.218 -1.775 -4.428 90 2HG GLU 10 3HG GLU 10 10.876 -2.843 -3.032 91 H GLY 11 HN GLY 11 10.786 -3.918 -8.075 92 1HA GLY 11 1HA GLY 11 10.805 -5.920 -9.307 93 2HA GLY 11 2HA GLY 11 9.471 -6.566 -8.358 94 H MET 12 HN MET 12 7.627 -4.332 -8.648 95 HA MET 12 HA MET 12 6.553 -4.908 -11.273 96 1HB MET 12 2HB MET 12 5.868 -2.671 -9.323 97 2HB MET 12 3HB MET 12 4.953 -3.092 -10.781 98 1HG MET 12 2HG MET 12 4.529 -5.362 -9.865 99 2HG MET 12 3HG MET 12 5.429 -4.923 -8.405 100 1HE MET 12 1HE MET 12 2.563 -6.146 -8.053 101 2HE MET 12 2HE MET 12 3.705 -5.584 -6.797 102 3HE MET 12 3HE MET 12 2.017 -5.052 -6.765 103 H THR 13 HN THR 13 7.019 -3.920 -13.209 104 HA THR 13 HA THR 13 8.519 -1.370 -13.230 105 HB THR 13 HB THR 13 10.204 -3.053 -13.365 106 HG1 THR 13 1HG THR 13 9.767 -2.032 -15.975 107 1HG2 THR 13 1HG2 THR 13 8.678 -4.134 -15.765 108 2HG2 THR 13 2HG2 THR 13 10.299 -4.646 -15.238 109 3HG2 THR 13 3HG2 THR 13 8.894 -4.945 -14.197 110 H CYS 14 HN CYS 14 8.173 -0.154 -15.049 111 HA CYS 14 HA CYS 14 7.047 0.830 -16.683 112 1HB CYS 14 2HB CYS 14 6.151 -1.941 -17.505 113 2HB CYS 14 3HB CYS 14 5.733 -0.458 -18.368 114 HG CYS 14 HG CYS 14 7.668 -1.660 -19.603 115 H HIS 15 HN HIS 15 5.207 1.987 -16.882 116 HA HIS 15 HA HIS 15 3.201 1.867 -14.850 117 1HB HIS 15 2HB HIS 15 3.754 3.969 -15.789 118 2HB HIS 15 3HB HIS 15 3.494 3.397 -17.441 119 HD1 HIS 15 1HD HIS 15 1.098 3.547 -18.396 120 HD2 HIS 15 2HD HIS 15 1.326 4.076 -14.238 121 HE1 HIS 15 1HE HIS 15 -1.249 4.183 -17.619 122 H SER 16 HN SER 16 2.621 -0.326 -15.006 123 HA SER 16 HA SER 16 0.135 -0.692 -16.595 124 1HB SER 16 2HB SER 16 2.480 -2.647 -16.506 125 2HB SER 16 3HB SER 16 0.832 -3.083 -17.026 126 HG SER 16 HG SER 16 2.157 -2.505 -18.804 127 H CYS 17 HN CYS 17 2.337 -2.353 -14.262 128 HA CYS 17 HA CYS 17 0.074 -3.403 -12.730 129 1HB CYS 17 2HB CYS 17 3.089 -3.579 -12.425 130 2HB CYS 17 3HB CYS 17 1.954 -4.193 -11.203 131 HG CYS 17 HG CYS 17 2.783 -6.175 -12.623 132 H THR 18 HN THR 18 -0.715 -1.093 -12.619 133 HA THR 18 HA THR 18 -0.049 -0.028 -9.886 134 HB THR 18 HB THR 18 -0.714 2.231 -10.922 135 HG1 THR 18 1HG THR 18 -0.547 2.315 -13.237 136 1HG2 THR 18 1HG2 THR 18 1.768 0.942 -12.144 137 2HG2 THR 18 2HG2 THR 18 1.434 2.684 -12.038 138 3HG2 THR 18 3HG2 THR 18 1.646 1.741 -10.557 139 H SER 19 HN SER 19 -2.436 0.666 -12.415 140 HA SER 19 HA SER 19 -4.386 1.172 -10.544 141 1HB SER 19 2HB SER 19 -4.369 1.842 -13.012 142 2HB SER 19 3HB SER 19 -5.038 0.235 -13.381 143 HG SER 19 HG SER 19 -6.563 2.063 -13.047 144 H THR 20 HN THR 20 -3.879 -1.970 -12.029 145 HA THR 20 HA THR 20 -6.004 -3.337 -10.784 146 HB THR 20 HB THR 20 -3.161 -4.050 -11.598 147 HG1 THR 20 1HG THR 20 -4.423 -5.351 -13.045 148 1HG2 THR 20 1HG2 THR 20 -5.127 -5.849 -10.165 149 2HG2 THR 20 2HG2 THR 20 -3.746 -6.443 -11.131 150 3HG2 THR 20 3HG2 THR 20 -3.456 -5.446 -9.698 151 H ILE 21 HN ILE 21 -2.791 -2.492 -9.420 152 HA ILE 21 HA ILE 21 -3.259 -3.791 -6.892 153 HB ILE 21 HB ILE 21 -1.226 -1.821 -8.009 154 1HG1 ILE 21 2HG1 ILE 21 0.217 -3.811 -7.100 155 2HG1 ILE 21 3HG1 ILE 21 -1.266 -4.750 -7.250 156 1HG2 ILE 21 1HG2 ILE 21 -1.590 -1.144 -5.673 157 2HG2 ILE 21 2HG2 ILE 21 -1.116 -2.792 -5.173 158 3HG2 ILE 21 3HG2 ILE 21 0.013 -1.742 -6.091 159 1HD1 ILE 21 1HD1 ILE 21 0.185 -3.163 -9.398 160 2HD1 ILE 21 2HD1 ILE 21 0.160 -4.928 -9.252 161 3HD1 ILE 21 3HD1 ILE 21 -1.318 -4.060 -9.700 162 H GLU 22 HN GLU 22 -3.572 -0.424 -8.107 163 HA GLU 22 HA GLU 22 -4.366 0.776 -5.732 164 1HB GLU 22 2HB GLU 22 -5.273 1.511 -8.552 165 2HB GLU 22 3HB GLU 22 -5.430 2.502 -7.128 166 1HG GLU 22 2HG GLU 22 -2.823 2.136 -6.895 167 2HG GLU 22 3HG GLU 22 -2.907 1.730 -8.602 168 H GLY 23 HN GLY 23 -6.483 -0.142 -8.317 169 1HA GLY 23 1HA GLY 23 -9.000 -0.049 -7.165 170 2HA GLY 23 2HA GLY 23 -8.553 -1.169 -8.463 171 H LYS 24 HN LYS 24 -6.737 -2.897 -7.050 172 HA LYS 24 HA LYS 24 -8.648 -4.584 -5.700 173 1HB LYS 24 2HB LYS 24 -6.735 -5.433 -7.024 174 2HB LYS 24 3HB LYS 24 -5.623 -4.797 -5.815 175 1HG LYS 24 2HG LYS 24 -7.466 -6.379 -4.336 176 2HG LYS 24 3HG LYS 24 -7.228 -7.268 -5.847 177 1HD LYS 24 2HD LYS 24 -4.758 -7.120 -5.543 178 2HD LYS 24 3HD LYS 24 -4.994 -6.279 -4.014 179 1HE LYS 24 2HE LYS 24 -5.965 -9.115 -4.583 180 2HE LYS 24 3HE LYS 24 -4.441 -8.701 -3.784 181 1HZ LYS 24 1HZ LYS 24 -7.110 -8.027 -2.746 182 2HZ LYS 24 2HZ LYS 24 -6.097 -9.188 -2.173 183 3HZ LYS 24 3HZ LYS 24 -5.679 -7.605 -2.047 184 H ILE 25 HN ILE 25 -5.653 -2.911 -4.459 185 HA ILE 25 HA ILE 25 -6.060 -3.435 -1.716 186 HB ILE 25 HB ILE 25 -4.745 -1.232 -3.382 187 1HG1 ILE 25 2HG1 ILE 25 -2.731 -2.251 -3.214 188 2HG1 ILE 25 3HG1 ILE 25 -3.065 -2.929 -1.604 189 1HG2 ILE 25 1HG2 ILE 25 -5.088 -0.087 -1.433 190 2HG2 ILE 25 2HG2 ILE 25 -4.718 -1.541 -0.423 191 3HG2 ILE 25 3HG2 ILE 25 -3.433 -0.701 -1.313 192 1HD1 ILE 25 1HD1 ILE 25 -3.929 -4.104 -4.237 193 2HD1 ILE 25 2HD1 ILE 25 -2.720 -4.713 -3.092 194 3HD1 ILE 25 3HD1 ILE 25 -4.426 -4.652 -2.610 195 H GLY 26 HN GLY 26 -7.269 -0.805 -3.748 196 1HA GLY 26 1HA GLY 26 -8.444 0.849 -1.854 197 2HA GLY 26 2HA GLY 26 -9.002 0.622 -3.514 198 H LYS 27 HN LYS 27 -9.533 -2.452 -2.726 199 HA LYS 27 HA LYS 27 -12.243 -1.913 -1.677 200 1HB LYS 27 2HB LYS 27 -10.914 -4.127 -3.245 201 2HB LYS 27 3HB LYS 27 -12.399 -4.382 -2.349 202 1HG LYS 27 2HG LYS 27 -13.464 -2.476 -3.569 203 2HG LYS 27 3HG LYS 27 -11.972 -2.251 -4.478 204 1HD LYS 27 2HD LYS 27 -12.589 -5.012 -4.809 205 2HD LYS 27 3HD LYS 27 -14.168 -4.238 -4.768 206 1HE LYS 27 2HE LYS 27 -13.479 -4.336 -7.070 207 2HE LYS 27 3HE LYS 27 -13.399 -2.640 -6.567 208 1HZ LYS 27 1HZ LYS 27 -11.118 -4.508 -6.756 209 2HZ LYS 27 2HZ LYS 27 -11.453 -3.285 -7.801 210 3HZ LYS 27 3HZ LYS 27 -10.991 -2.950 -6.262 211 H LEU 28 HN LEU 28 -9.018 -3.012 -0.563 212 HA LEU 28 HA LEU 28 -9.959 -4.930 1.160 213 1HB LEU 28 2HB LEU 28 -7.552 -3.166 1.245 214 2HB LEU 28 3HB LEU 28 -7.874 -4.412 2.425 215 HG LEU 28 HG LEU 28 -6.533 -4.707 -0.034 216 1HD1 LEU 28 1HD1 LEU 28 -6.355 -7.060 0.884 217 2HD1 LEU 28 2HD1 LEU 28 -6.071 -5.791 2.104 218 3HD1 LEU 28 3HD1 LEU 28 -7.644 -6.628 2.023 219 1HD2 LEU 28 1HD2 LEU 28 -7.636 -6.573 -1.096 220 2HD2 LEU 28 2HD2 LEU 28 -9.012 -6.442 0.008 221 3HD2 LEU 28 3HD2 LEU 28 -8.672 -5.150 -1.178 222 H GLN 29 HN GLN 29 -10.717 -4.920 3.078 223 HA GLN 29 HA GLN 29 -12.057 -2.836 4.355 224 1HB GLN 29 2HB GLN 29 -12.282 -4.366 6.225 225 2HB GLN 29 3HB GLN 29 -12.531 -5.161 4.670 226 1HG GLN 29 2HG GLN 29 -9.935 -5.718 4.887 227 2HG GLN 29 3HG GLN 29 -10.223 -5.378 6.593 228 1HE2 GLN 29 2HE2 GLN 29 -10.029 -7.454 7.460 229 2HE2 GLN 29 1HE2 GLN 29 -11.025 -8.806 6.940 230 H GLY 30 HN GLY 30 -11.066 -0.954 4.864 231 1HA GLY 30 1HA GLY 30 -10.022 0.008 6.920 232 2HA GLY 30 2HA GLY 30 -8.622 -1.033 6.619 233 H VAL 31 HN VAL 31 -9.005 -0.540 3.530 234 HA VAL 31 HA VAL 31 -7.210 1.751 3.572 235 HB VAL 31 HB VAL 31 -8.192 -0.293 1.570 236 1HG1 VAL 31 1HG1 VAL 31 -6.531 2.188 1.022 237 2HG1 VAL 31 2HG1 VAL 31 -6.673 0.788 -0.071 238 3HG1 VAL 31 3HG1 VAL 31 -8.113 1.735 0.322 239 1HG2 VAL 31 1HG2 VAL 31 -5.402 0.464 2.574 240 2HG2 VAL 31 2HG2 VAL 31 -6.363 -0.897 3.193 241 3HG2 VAL 31 3HG2 VAL 31 -5.814 -0.895 1.511 242 H GLN 32 HN GLN 32 -7.678 3.735 2.936 243 HA GLN 32 HA GLN 32 -10.449 4.413 2.143 244 1HB GLN 32 2HB GLN 32 -8.520 5.582 3.912 245 2HB GLN 32 3HB GLN 32 -9.077 6.787 2.731 246 1HG GLN 32 2HG GLN 32 -10.858 5.025 4.464 247 2HG GLN 32 3HG GLN 32 -10.344 6.654 4.884 248 1HE2 GLN 32 2HE2 GLN 32 -12.520 4.801 2.789 249 2HE2 GLN 32 1HE2 GLN 32 -13.338 6.210 2.132 250 H ARG 33 HN ARG 33 -6.976 4.974 1.188 251 HA ARG 33 HA ARG 33 -7.857 5.085 -1.579 252 1HB ARG 33 2HB ARG 33 -8.209 7.428 -0.507 253 2HB ARG 33 3HB ARG 33 -6.463 7.551 -0.439 254 1HG ARG 33 2HG ARG 33 -6.292 8.000 -2.651 255 2HG ARG 33 3HG ARG 33 -7.420 6.732 -3.129 256 1HD ARG 33 2HD ARG 33 -8.321 9.377 -1.932 257 2HD ARG 33 3HD ARG 33 -8.251 9.011 -3.678 258 HE ARG 33 HE ARG 33 -9.694 6.949 -2.330 259 1HH1 ARG 33 1HH2 ARG 33 -10.107 10.379 -2.989 260 2HH1 ARG 33 2HH2 ARG 33 -11.805 10.284 -3.327 261 1HH2 ARG 33 1HH1 ARG 33 -11.925 6.748 -2.864 262 2HH2 ARG 33 2HH1 ARG 33 -12.868 8.151 -3.250 263 H ILE 34 HN ILE 34 -5.959 5.291 -3.076 264 HA ILE 34 HA ILE 34 -3.343 4.635 -1.956 265 HB ILE 34 HB ILE 34 -4.256 2.472 -2.120 266 1HG1 ILE 34 2HG1 ILE 34 -2.858 2.752 -4.787 267 2HG1 ILE 34 3HG1 ILE 34 -1.973 3.063 -3.301 268 1HG2 ILE 34 1HG2 ILE 34 -5.221 2.932 -4.984 269 2HG2 ILE 34 2HG2 ILE 34 -5.400 1.495 -3.981 270 3HG2 ILE 34 3HG2 ILE 34 -6.273 2.945 -3.558 271 1HD1 ILE 34 1HD1 ILE 34 -3.301 0.406 -3.960 272 2HD1 ILE 34 2HD1 ILE 34 -1.573 0.772 -3.984 273 3HD1 ILE 34 3HD1 ILE 34 -2.466 0.809 -2.473 274 H LYS 35 HN LYS 35 -1.696 5.367 -3.191 275 HA LYS 35 HA LYS 35 -2.134 6.075 -6.053 276 1HB LYS 35 2HB LYS 35 -0.608 7.638 -3.903 277 2HB LYS 35 3HB LYS 35 -0.252 7.750 -5.622 278 1HG LYS 35 2HG LYS 35 -1.517 9.586 -5.253 279 2HG LYS 35 3HG LYS 35 -2.648 8.470 -6.025 280 1HD LYS 35 2HD LYS 35 -3.824 8.108 -3.977 281 2HD LYS 35 3HD LYS 35 -2.494 8.758 -2.991 282 1HE LYS 35 2HE LYS 35 -2.857 11.018 -3.911 283 2HE LYS 35 3HE LYS 35 -4.121 10.408 -4.995 284 1HZ LYS 35 1HZ LYS 35 -4.263 10.386 -2.050 285 2HZ LYS 35 2HZ LYS 35 -4.987 11.486 -3.034 286 3HZ LYS 35 3HZ LYS 35 -5.450 9.911 -3.093 287 H VAL 36 HN VAL 36 -0.830 4.567 -7.143 288 HA VAL 36 HA VAL 36 1.671 3.578 -5.802 289 HB VAL 36 HB VAL 36 0.037 2.429 -8.080 290 1HG1 VAL 36 1HG1 VAL 36 2.452 1.901 -8.392 291 2HG1 VAL 36 2HG1 VAL 36 2.564 1.383 -6.703 292 3HG1 VAL 36 3HG1 VAL 36 1.569 0.467 -7.853 293 1HG2 VAL 36 1HG2 VAL 36 -0.527 0.687 -6.532 294 2HG2 VAL 36 2HG2 VAL 36 0.569 1.330 -5.285 295 3HG2 VAL 36 3HG2 VAL 36 -0.892 2.220 -5.731 296 H SER 37 HN SER 37 3.454 4.803 -6.347 297 HA SER 37 HA SER 37 3.583 5.970 -9.066 298 1HB SER 37 2HB SER 37 4.040 7.298 -6.960 299 2HB SER 37 3HB SER 37 5.568 6.404 -6.846 300 HG SER 37 HG SER 37 5.617 8.430 -8.069 301 H LEU 38 HN LEU 38 3.857 4.117 -10.264 302 HA LEU 38 HA LEU 38 6.066 2.297 -10.049 303 1HB LEU 38 2HB LEU 38 3.907 2.844 -11.885 304 2HB LEU 38 3HB LEU 38 5.380 2.959 -12.817 305 HG LEU 38 HG LEU 38 4.262 0.771 -12.803 306 1HD1 LEU 38 1HD1 LEU 38 7.065 0.587 -11.623 307 2HD1 LEU 38 2HD1 LEU 38 6.239 -0.577 -12.666 308 3HD1 LEU 38 3HD1 LEU 38 6.701 1.010 -13.315 309 1HD2 LEU 38 1HD2 LEU 38 3.646 0.773 -10.316 310 2HD2 LEU 38 2HD2 LEU 38 4.241 -0.743 -11.011 311 3HD2 LEU 38 3HD2 LEU 38 5.305 0.236 -10.001 312 H ASP 39 HN ASP 39 7.838 2.420 -11.879 313 HA ASP 39 HA ASP 39 9.894 3.115 -12.248 314 1HB ASP 39 2HB ASP 39 8.812 5.922 -11.982 315 2HB ASP 39 3HB ASP 39 10.395 5.468 -12.555 316 H ASN 40 HN ASN 40 8.426 5.369 -9.923 317 HA ASN 40 HA ASN 40 10.719 5.716 -8.472 318 1HB ASN 40 2HB ASN 40 8.585 7.118 -8.514 319 2HB ASN 40 3HB ASN 40 7.924 5.990 -7.332 320 1HD2 ASN 40 2HD2 ASN 40 8.971 9.007 -7.449 321 2HD2 ASN 40 1HD2 ASN 40 9.853 9.114 -5.934 322 H GLN 41 HN GLN 41 8.185 3.400 -8.360 323 HA GLN 41 HA GLN 41 7.838 1.336 -7.506 324 1HB GLN 41 2HB GLN 41 10.536 1.432 -6.097 325 2HB GLN 41 3HB GLN 41 9.557 0.013 -6.516 326 1HG GLN 41 2HG GLN 41 9.734 0.752 -8.916 327 2HG GLN 41 3HG GLN 41 10.884 1.969 -8.364 328 1HE2 GLN 41 2HE2 GLN 41 13.049 1.434 -8.178 329 2HE2 GLN 41 1HE2 GLN 41 13.658 -0.215 -8.188 330 H GLU 42 HN GLU 42 7.281 3.807 -6.307 331 HA GLU 42 HA GLU 42 7.114 3.121 -3.362 332 1HB GLU 42 2HB GLU 42 8.783 4.965 -4.218 333 2HB GLU 42 3HB GLU 42 7.328 5.945 -4.366 334 1HG GLU 42 2HG GLU 42 8.010 6.483 -2.235 335 2HG GLU 42 3HG GLU 42 6.903 5.143 -1.864 336 H ALA 43 HN ALA 43 5.085 3.081 -2.512 337 HA ALA 43 HA ALA 43 2.860 4.411 -4.017 338 1HB ALA 43 1HB ALA 43 1.475 2.475 -3.278 339 2HB ALA 43 2HB ALA 43 2.789 2.014 -4.386 340 3HB ALA 43 3HB ALA 43 2.960 1.719 -2.647 341 H THR 44 HN THR 44 1.187 5.279 -2.704 342 HA THR 44 HA THR 44 1.796 5.609 0.175 343 HB THR 44 HB THR 44 1.571 7.677 -1.984 344 HG1 THR 44 1HG THR 44 2.752 7.507 0.589 345 1HG2 THR 44 1HG2 THR 44 0.301 8.051 0.747 346 2HG2 THR 44 2HG2 THR 44 0.805 9.382 -0.315 347 3HG2 THR 44 3HG2 THR 44 -0.465 8.270 -0.841 348 H ILE 45 HN ILE 45 0.150 4.893 1.315 349 HA ILE 45 HA ILE 45 -2.523 4.727 0.041 350 HB ILE 45 HB ILE 45 -1.051 2.638 1.626 351 1HG1 ILE 45 2HG1 ILE 45 -2.146 2.540 -1.169 352 2HG1 ILE 45 3HG1 ILE 45 -0.495 3.075 -0.897 353 1HG2 ILE 45 1HG2 ILE 45 -3.092 1.204 1.092 354 2HG2 ILE 45 2HG2 ILE 45 -3.430 2.492 2.238 355 3HG2 ILE 45 3HG2 ILE 45 -3.905 2.647 0.533 356 1HD1 ILE 45 1HD1 ILE 45 -1.493 0.344 -0.231 357 2HD1 ILE 45 2HD1 ILE 45 -0.293 0.855 -1.439 358 3HD1 ILE 45 3HD1 ILE 45 0.059 1.078 0.289 359 H VAL 46 HN VAL 46 -4.300 4.649 1.742 360 HA VAL 46 HA VAL 46 -3.510 5.834 4.319 361 HB VAL 46 HB VAL 46 -4.197 7.612 2.878 362 1HG1 VAL 46 1HG1 VAL 46 -6.511 7.851 2.214 363 2HG1 VAL 46 2HG1 VAL 46 -5.599 6.523 1.452 364 3HG1 VAL 46 3HG1 VAL 46 -6.755 6.172 2.766 365 1HG2 VAL 46 1HG2 VAL 46 -4.614 7.849 5.314 366 2HG2 VAL 46 2HG2 VAL 46 -5.939 8.580 4.405 367 3HG2 VAL 46 3HG2 VAL 46 -6.148 6.974 5.125 368 H TYR 47 HN TYR 47 -4.283 4.719 6.002 369 HA TYR 47 HA TYR 47 -6.820 3.331 5.878 370 1HB TYR 47 2HB TYR 47 -5.965 1.069 6.362 371 2HB TYR 47 3HB TYR 47 -5.301 1.622 4.838 372 HD1 TYR 47 1HD TYR 47 -4.443 1.280 8.515 373 HD2 TYR 47 2HD TYR 47 -2.992 1.282 4.459 374 HE1 TYR 47 1HE TYR 47 -2.152 1.107 9.345 375 HE2 TYR 47 2HE TYR 47 -0.767 0.564 5.332 376 HH TYR 47 HH TYR 47 0.236 -0.321 7.488 377 H GLN 48 HN GLN 48 -7.170 2.066 8.166 378 HA GLN 48 HA GLN 48 -5.577 3.336 10.254 379 1HB GLN 48 2HB GLN 48 -7.435 4.434 10.820 380 2HB GLN 48 3HB GLN 48 -8.412 3.618 9.612 381 1HG GLN 48 2HG GLN 48 -8.847 1.766 11.100 382 2HG GLN 48 3HG GLN 48 -7.840 2.499 12.353 383 1HE2 GLN 48 2HE2 GLN 48 -11.037 2.170 11.306 384 2HE2 GLN 48 1HE2 GLN 48 -11.708 3.526 12.188 385 HA PRO 49 HA PRO 49 -4.827 -0.692 11.811 386 1HB PRO 49 2HB PRO 49 -4.060 -0.181 14.355 387 2HB PRO 49 3HB PRO 49 -3.117 0.435 12.975 388 1HG PRO 49 2HG PRO 49 -5.259 1.941 14.516 389 2HG PRO 49 3HG PRO 49 -3.582 2.449 14.224 390 1HD PRO 49 2HD PRO 49 -5.585 3.271 12.605 391 2HD PRO 49 3HD PRO 49 -4.014 2.810 11.901 392 H HIS 50 HN HIS 50 -7.207 -1.009 11.434 393 HA HIS 50 HA HIS 50 -8.344 -2.014 13.942 394 1HB HIS 50 2HB HIS 50 -9.152 0.546 13.138 395 2HB HIS 50 3HB HIS 50 -10.432 -0.475 12.486 396 HD1 HIS 50 1HD HIS 50 -8.483 -0.207 15.826 397 HD2 HIS 50 2HD HIS 50 -12.347 -0.797 14.261 398 HE1 HIS 50 1HE HIS 50 -10.086 -0.376 17.837 399 H LEU 51 HN LEU 51 -9.143 -1.361 10.510 400 HA LEU 51 HA LEU 51 -10.426 -4.006 10.307 401 1HB LEU 51 2HB LEU 51 -10.036 -1.714 8.406 402 2HB LEU 51 3HB LEU 51 -10.761 -3.255 7.915 403 HG LEU 51 HG LEU 51 -11.866 -1.696 10.262 404 1HD1 LEU 51 1HD1 LEU 51 -11.897 -0.146 8.362 405 2HD1 LEU 51 2HD1 LEU 51 -12.617 -1.394 7.320 406 3HD1 LEU 51 3HD1 LEU 51 -13.536 -0.723 8.684 407 1HD2 LEU 51 1HD2 LEU 51 -13.941 -2.908 9.694 408 2HD2 LEU 51 2HD2 LEU 51 -13.131 -3.693 8.329 409 3HD2 LEU 51 3HD2 LEU 51 -12.630 -4.055 9.992 410 H ILE 52 HN ILE 52 -7.231 -2.510 9.640 411 HA ILE 52 HA ILE 52 -6.387 -5.041 8.390 412 HB ILE 52 HB ILE 52 -6.713 -3.089 6.858 413 1HG1 ILE 52 2HG1 ILE 52 -4.643 -3.382 5.686 414 2HG1 ILE 52 3HG1 ILE 52 -3.859 -4.158 7.070 415 1HG2 ILE 52 1HG2 ILE 52 -5.928 -1.385 8.449 416 2HG2 ILE 52 2HG2 ILE 52 -4.276 -2.015 8.281 417 3HG2 ILE 52 3HG2 ILE 52 -5.103 -1.306 6.876 418 1HD1 ILE 52 1HD1 ILE 52 -6.431 -5.195 5.819 419 2HD1 ILE 52 2HD1 ILE 52 -4.825 -5.649 5.178 420 3HD1 ILE 52 3HD1 ILE 52 -5.269 -6.066 6.839 421 H SER 53 HN SER 53 -4.434 -5.909 9.074 422 HA SER 53 HA SER 53 -3.624 -5.115 11.712 423 1HB SER 53 2HB SER 53 -3.071 -7.268 9.844 424 2HB SER 53 3HB SER 53 -1.691 -6.925 10.826 425 HG SER 53 HG SER 53 -3.176 -8.457 11.760 426 H VAL 54 HN VAL 54 -3.109 -3.141 9.628 427 HA VAL 54 HA VAL 54 -1.654 -1.452 9.213 428 HB VAL 54 HB VAL 54 -0.876 -2.382 11.783 429 1HG1 VAL 54 1HG1 VAL 54 1.531 -1.647 10.098 430 2HG1 VAL 54 2HG1 VAL 54 1.475 -1.727 11.879 431 3HG1 VAL 54 3HG1 VAL 54 1.254 -3.198 10.940 432 1HG2 VAL 54 1HG2 VAL 54 -1.777 -0.225 11.171 433 2HG2 VAL 54 2HG2 VAL 54 -0.305 -0.105 12.157 434 3HG2 VAL 54 3HG2 VAL 54 -0.218 0.214 10.413 435 H GLU 55 HN GLU 55 0.145 -4.447 9.557 436 HA GLU 55 HA GLU 55 1.917 -3.875 7.326 437 1HB GLU 55 2HB GLU 55 2.525 -4.659 9.642 438 2HB GLU 55 3HB GLU 55 1.745 -6.178 9.199 439 1HG GLU 55 2HG GLU 55 4.198 -6.316 9.046 440 2HG GLU 55 3HG GLU 55 3.458 -6.518 7.468 441 H GLU 56 HN GLU 56 -0.784 -6.069 8.137 442 HA GLU 56 HA GLU 56 -0.734 -8.055 6.203 443 1HB GLU 56 2HB GLU 56 -2.889 -6.450 7.542 444 2HB GLU 56 3HB GLU 56 -3.339 -7.256 6.045 445 1HG GLU 56 2HG GLU 56 -2.653 -9.405 6.833 446 2HG GLU 56 3HG GLU 56 -2.231 -8.739 8.418 447 H MET 57 HN MET 57 -2.088 -4.775 5.852 448 HA MET 57 HA MET 57 -3.016 -4.626 3.410 449 1HB MET 57 2HB MET 57 -2.458 -2.896 5.435 450 2HB MET 57 3HB MET 57 -1.135 -2.475 4.391 451 1HG MET 57 2HG MET 57 -4.059 -2.696 3.561 452 2HG MET 57 3HG MET 57 -3.369 -1.258 4.278 453 1HE MET 57 1HE MET 57 -1.037 -0.569 3.487 454 2HE MET 57 2HE MET 57 -0.285 -1.162 1.990 455 3HE MET 57 3HE MET 57 -1.214 0.356 2.026 456 H LYS 58 HN LYS 58 0.447 -4.114 4.151 457 HA LYS 58 HA LYS 58 1.204 -3.982 1.342 458 1HB LYS 58 2HB LYS 58 2.318 -2.579 2.808 459 2HB LYS 58 3HB LYS 58 2.732 -3.854 3.933 460 1HG LYS 58 2HG LYS 58 3.691 -3.984 1.032 461 2HG LYS 58 3HG LYS 58 4.476 -2.872 2.134 462 1HD LYS 58 2HD LYS 58 4.329 -5.894 2.508 463 2HD LYS 58 3HD LYS 58 5.721 -4.964 2.019 464 1HE LYS 58 2HE LYS 58 5.355 -3.676 4.302 465 2HE LYS 58 3HE LYS 58 4.322 -5.042 4.714 466 1HZ LYS 58 1HZ LYS 58 7.204 -5.062 4.248 467 2HZ LYS 58 2HZ LYS 58 6.292 -5.483 5.561 468 3HZ LYS 58 3HZ LYS 58 6.303 -6.425 4.157 469 H LYS 59 HN LYS 59 1.474 -6.430 3.998 470 HA LYS 59 HA LYS 59 2.929 -8.362 2.541 471 1HB LYS 59 2HB LYS 59 1.076 -8.347 4.872 472 2HB LYS 59 3HB LYS 59 1.178 -9.882 4.008 473 1HG LYS 59 2HG LYS 59 2.799 -9.733 5.799 474 2HG LYS 59 3HG LYS 59 3.558 -9.953 4.204 475 1HD LYS 59 2HD LYS 59 4.220 -7.544 4.165 476 2HD LYS 59 3HD LYS 59 3.247 -7.260 5.567 477 1HE LYS 59 2HE LYS 59 5.569 -7.458 6.335 478 2HE LYS 59 3HE LYS 59 4.712 -8.885 6.893 479 1HZ LYS 59 1HZ LYS 59 6.407 -8.712 4.475 480 2HZ LYS 59 2HZ LYS 59 6.839 -9.478 5.880 481 3HZ LYS 59 3HZ LYS 59 5.640 -10.022 4.862 482 H GLN 60 HN GLN 60 -0.422 -7.373 2.027 483 HA GLN 60 HA GLN 60 -1.131 -9.745 0.579 484 1HB GLN 60 2HB GLN 60 -3.124 -8.789 0.298 485 2HB GLN 60 3HB GLN 60 -2.554 -7.618 1.490 486 1HG GLN 60 2HG GLN 60 -1.721 -6.215 -0.469 487 2HG GLN 60 3HG GLN 60 -2.495 -7.382 -1.543 488 1HE2 GLN 60 2HE2 GLN 60 -2.943 -4.888 0.874 489 2HE2 GLN 60 1HE2 GLN 60 -4.646 -4.576 0.556 490 H ILE 61 HN ILE 61 0.669 -6.826 -0.202 491 HA ILE 61 HA ILE 61 0.668 -7.232 -3.065 492 HB ILE 61 HB ILE 61 2.209 -5.386 -1.284 493 1HG1 ILE 61 2HG1 ILE 61 0.848 -3.906 -3.214 494 2HG1 ILE 61 3HG1 ILE 61 -0.261 -5.254 -2.978 495 1HG2 ILE 61 1HG2 ILE 61 3.115 -4.365 -3.360 496 2HG2 ILE 61 2HG2 ILE 61 3.682 -6.027 -3.204 497 3HG2 ILE 61 3HG2 ILE 61 2.362 -5.655 -4.326 498 1HD1 ILE 61 1HD1 ILE 61 0.883 -3.423 -0.842 499 2HD1 ILE 61 2HD1 ILE 61 -0.810 -3.510 -1.387 500 3HD1 ILE 61 3HD1 ILE 61 -0.066 -4.875 -0.518 501 H GLU 62 HN GLU 62 2.875 -7.908 -0.300 502 HA GLU 62 HA GLU 62 5.078 -8.977 -1.755 503 1HB GLU 62 2HB GLU 62 3.993 -9.987 0.913 504 2HB GLU 62 3HB GLU 62 5.587 -10.283 0.234 505 1HG GLU 62 2HG GLU 62 6.122 -7.872 0.399 506 2HG GLU 62 3HG GLU 62 4.524 -7.562 1.069 507 H ALA 63 HN ALA 63 2.143 -10.468 -0.437 508 HA ALA 63 HA ALA 63 2.471 -13.088 -1.364 509 1HB ALA 63 1HB ALA 63 0.092 -13.317 -0.807 510 2HB ALA 63 2HB ALA 63 0.946 -12.352 0.422 511 3HB ALA 63 3HB ALA 63 -0.075 -11.546 -0.781 512 H MET 64 HN MET 64 1.549 -10.270 -3.316 513 HA MET 64 HA MET 64 0.183 -11.759 -5.386 514 1HB MET 64 2HB MET 64 1.835 -9.216 -5.642 515 2HB MET 64 3HB MET 64 0.702 -9.859 -6.822 516 1HG MET 64 2HG MET 64 -0.083 -9.021 -4.048 517 2HG MET 64 3HG MET 64 -0.148 -7.924 -5.408 518 1HE MET 64 1HE MET 64 -1.516 -9.145 -7.741 519 2HE MET 64 2HE MET 64 -3.245 -8.987 -7.341 520 3HE MET 64 3HE MET 64 -2.119 -7.670 -6.940 521 H GLY 65 HN GLY 65 3.543 -11.351 -4.372 522 1HA GLY 65 1HA GLY 65 4.957 -13.244 -5.228 523 2HA GLY 65 2HA GLY 65 4.560 -12.678 -6.859 524 H PHE 66 HN PHE 66 4.549 -9.813 -5.960 525 HA PHE 66 HA PHE 66 7.350 -9.370 -6.625 526 1HB PHE 66 2HB PHE 66 5.019 -7.488 -6.182 527 2HB PHE 66 3HB PHE 66 6.638 -6.974 -6.631 528 HD1 PHE 66 1HD PHE 66 7.726 -8.038 -8.726 529 HD2 PHE 66 2HD PHE 66 3.505 -8.297 -7.927 530 HE1 PHE 66 1HE PHE 66 7.311 -8.503 -11.105 531 HE2 PHE 66 2HE PHE 66 3.075 -8.679 -10.335 532 HZ PHE 66 HZ PHE 66 4.975 -8.778 -11.941 533 HA PRO 67 HA PRO 67 8.123 -9.020 -2.151 534 1HB PRO 67 2HB PRO 67 10.768 -8.278 -2.174 535 2HB PRO 67 3HB PRO 67 10.197 -9.944 -2.478 536 1HG PRO 67 2HG PRO 67 10.915 -7.837 -4.526 537 2HG PRO 67 3HG PRO 67 11.439 -9.547 -4.483 538 1HD PRO 67 2HD PRO 67 9.370 -8.700 -6.023 539 2HD PRO 67 3HD PRO 67 9.299 -10.297 -5.212 540 H ALA 68 HN ALA 68 7.385 -7.317 -1.014 541 HA ALA 68 HA ALA 68 7.887 -4.524 -1.916 542 1HB ALA 68 1HB ALA 68 5.510 -4.115 -1.131 543 2HB ALA 68 2HB ALA 68 5.655 -5.169 -2.545 544 3HB ALA 68 3HB ALA 68 5.323 -5.867 -0.943 545 H PHE 69 HN PHE 69 7.061 -3.102 0.092 546 HA PHE 69 HA PHE 69 7.902 -4.165 2.643 547 1HB PHE 69 2HB PHE 69 9.988 -3.349 0.962 548 2HB PHE 69 3HB PHE 69 9.721 -1.937 1.965 549 HD1 PHE 69 1HD PHE 69 10.154 -2.043 4.424 550 HD2 PHE 69 2HD PHE 69 10.705 -5.490 1.881 551 HE1 PHE 69 1HE PHE 69 11.265 -3.238 6.278 552 HE2 PHE 69 2HE PHE 69 11.934 -6.623 3.688 553 HZ PHE 69 HZ PHE 69 12.176 -5.528 5.922 554 H VAL 70 HN VAL 70 7.801 -2.508 4.436 555 HA VAL 70 HA VAL 70 6.010 -0.234 3.762 556 HB VAL 70 HB VAL 70 6.139 -2.267 5.938 557 1HG1 VAL 70 1HG1 VAL 70 5.662 0.627 6.648 558 2HG1 VAL 70 2HG1 VAL 70 5.165 -0.767 7.629 559 3HG1 VAL 70 3HG1 VAL 70 6.883 -0.480 7.324 560 1HG2 VAL 70 1HG2 VAL 70 3.782 -1.996 5.879 561 2HG2 VAL 70 2HG2 VAL 70 3.898 -0.366 5.178 562 3HG2 VAL 70 3HG2 VAL 70 4.290 -1.777 4.191 563 H LYS 71 HN LYS 71 6.947 1.701 3.871 564 HA LYS 71 HA LYS 71 9.561 1.982 5.327 565 1HB LYS 71 2HB LYS 71 8.335 3.883 3.302 566 2HB LYS 71 3HB LYS 71 9.865 4.046 4.157 567 1HG LYS 71 2HG LYS 71 10.284 1.584 3.038 568 2HG LYS 71 3HG LYS 71 9.058 2.200 1.932 569 1HD LYS 71 2HD LYS 71 10.891 3.029 0.845 570 2HD LYS 71 3HD LYS 71 10.603 4.387 1.902 571 1HE LYS 71 2HE LYS 71 12.619 2.098 2.261 572 2HE LYS 71 3HE LYS 71 12.996 3.783 1.887 573 1HZ LYS 71 1HZ LYS 71 11.812 2.820 4.408 574 2HZ LYS 71 2HZ LYS 71 13.382 3.258 4.192 575 3HZ LYS 71 3HZ LYS 71 12.190 4.384 4.066 576 H LYS 72 HN LYS 72 6.522 3.824 4.786 577 HA LYS 72 HA LYS 72 6.851 5.035 7.507 578 1HB LYS 72 2HB LYS 72 6.218 6.243 5.051 579 2HB LYS 72 3HB LYS 72 4.657 6.081 5.866 580 1HG LYS 72 2HG LYS 72 5.570 7.220 7.850 581 2HG LYS 72 3HG LYS 72 7.143 7.378 7.030 582 1HD LYS 72 2HD LYS 72 6.076 8.660 5.198 583 2HD LYS 72 3HD LYS 72 4.504 8.547 5.993 584 1HE LYS 72 2HE LYS 72 6.992 9.903 7.164 585 2HE LYS 72 3HE LYS 72 5.688 10.745 6.319 586 1HZ LYS 72 1HZ LYS 72 5.374 9.234 8.832 587 2HZ LYS 72 2HZ LYS 72 5.396 10.867 8.676 588 3HZ LYS 72 3HZ LYS 72 4.163 9.997 8.024 589 H ILE 73 HN ILE 73 4.560 5.301 8.643 590 HA ILE 73 HA ILE 73 2.815 3.029 8.235 591 HB ILE 73 HB ILE 73 4.858 2.211 9.400 592 1HG1 ILE 73 2HG1 ILE 73 2.494 1.961 11.250 593 2HG1 ILE 73 3HG1 ILE 73 2.449 1.273 9.613 594 1HG2 ILE 73 1HG2 ILE 73 5.225 2.864 11.721 595 2HG2 ILE 73 2HG2 ILE 73 5.224 4.305 10.684 596 3HG2 ILE 73 3HG2 ILE 73 3.797 3.921 11.665 597 1HD1 ILE 73 1HD1 ILE 73 4.616 0.651 11.670 598 2HD1 ILE 73 2HD1 ILE 73 3.230 -0.378 11.297 599 3HD1 ILE 73 3HD1 ILE 73 4.446 -0.062 10.049 600 H GLU 74 HN GLU 74 1.175 3.139 10.224 601 HA GLU 74 HA GLU 74 -0.039 5.739 10.014 602 1HB GLU 74 2HB GLU 74 -1.931 4.720 11.010 603 2HB GLU 74 3HB GLU 74 -1.232 3.625 9.835 604 1HG GLU 74 2HG GLU 74 -1.754 2.227 11.628 605 2HG GLU 74 3HG GLU 74 -0.026 2.497 11.871 606 H GLY 75 HN GLY 75 -1.165 6.332 12.379 607 1HA GLY 75 1HA GLY 75 -0.484 6.622 14.722 608 2HA GLY 75 2HA GLY 75 1.130 7.093 14.156 609 H ARG 76 HN ARG 76 -0.007 8.952 15.792 610 HA ARG 76 HA ARG 76 -0.035 11.225 14.163 611 1HB ARG 76 2HB ARG 76 -2.191 12.139 14.818 612 2HB ARG 76 3HB ARG 76 -2.414 10.722 13.800 613 1HG ARG 76 2HG ARG 76 -2.359 9.938 16.641 614 2HG ARG 76 3HG ARG 76 -3.441 11.290 16.426 615 1HD ARG 76 2HD ARG 76 -4.162 9.528 14.302 616 2HD ARG 76 3HD ARG 76 -3.680 8.456 15.598 617 HE ARG 76 HE ARG 76 -5.603 8.969 16.722 618 1HH1 ARG 76 1HH2 ARG 76 -4.852 11.573 14.512 619 2HH1 ARG 76 2HH2 ARG 76 -6.338 12.454 14.710 620 1HH2 ARG 76 1HH1 ARG 76 -7.606 10.115 17.105 621 2HH2 ARG 76 2HH1 ARG 76 -7.936 11.599 16.272 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -5.685 6.971 13.732 2 2H GLY 1 2H GLY 1 -6.952 6.461 14.688 3 3H GLY 1 3H GLY 1 -6.322 5.495 13.485 4 1HA GLY 1 1HA GLY 1 -8.410 6.448 12.791 5 2HA GLY 1 2HA GLY 1 -7.637 8.048 12.944 6 H GLU 2 HN GLU 2 -8.349 7.799 10.459 7 HA GLU 2 HA GLU 2 -6.855 6.154 8.706 8 1HB GLU 2 2HB GLU 2 -8.337 8.779 8.362 9 2HB GLU 2 3HB GLU 2 -7.726 7.825 7.008 10 1HG GLU 2 2HG GLU 2 -9.151 5.959 7.523 11 2HG GLU 2 3HG GLU 2 -9.647 6.635 9.082 12 H VAL 3 HN VAL 3 -4.714 6.293 8.167 13 HA VAL 3 HA VAL 3 -3.296 8.898 8.221 14 HB VAL 3 HB VAL 3 -2.431 6.305 9.569 15 1HG1 VAL 3 1HG1 VAL 3 -0.404 7.670 10.263 16 2HG1 VAL 3 2HG1 VAL 3 -0.437 7.269 8.557 17 3HG1 VAL 3 3HG1 VAL 3 -0.893 8.904 9.106 18 1HG2 VAL 3 1HG2 VAL 3 -2.462 7.538 11.632 19 2HG2 VAL 3 2HG2 VAL 3 -2.771 9.077 10.794 20 3HG2 VAL 3 3HG2 VAL 3 -4.016 7.826 10.886 21 H VAL 4 HN VAL 4 -1.339 8.848 6.949 22 HA VAL 4 HA VAL 4 -1.619 7.382 4.467 23 HB VAL 4 HB VAL 4 0.215 9.615 5.466 24 1HG1 VAL 4 1HG1 VAL 4 -0.311 8.496 2.712 25 2HG1 VAL 4 2HG1 VAL 4 0.591 10.004 3.022 26 3HG1 VAL 4 3HG1 VAL 4 1.234 8.456 3.602 27 1HG2 VAL 4 1HG2 VAL 4 -2.180 9.898 3.610 28 2HG2 VAL 4 2HG2 VAL 4 -2.240 10.282 5.342 29 3HG2 VAL 4 3HG2 VAL 4 -1.161 11.179 4.269 30 H LEU 5 HN LEU 5 -0.414 5.630 3.972 31 HA LEU 5 HA LEU 5 2.095 4.999 5.518 32 1HB LEU 5 2HB LEU 5 0.316 3.393 5.814 33 2HB LEU 5 3HB LEU 5 0.210 3.133 4.070 34 HG LEU 5 HG LEU 5 2.998 2.977 5.114 35 1HD1 LEU 5 1HD1 LEU 5 1.597 2.067 7.012 36 2HD1 LEU 5 2HD1 LEU 5 1.289 0.681 5.917 37 3HD1 LEU 5 3HD1 LEU 5 2.938 1.088 6.392 38 1HD2 LEU 5 1HD2 LEU 5 3.051 0.949 3.794 39 2HD2 LEU 5 2HD2 LEU 5 1.298 1.019 3.514 40 3HD2 LEU 5 3HD2 LEU 5 2.358 2.265 2.824 41 H LYS 6 HN LYS 6 3.960 4.593 4.229 42 HA LYS 6 HA LYS 6 3.774 4.759 1.257 43 1HB LYS 6 2HB LYS 6 5.264 6.491 2.972 44 2HB LYS 6 3HB LYS 6 6.359 5.409 2.115 45 1HG LYS 6 2HG LYS 6 4.579 6.181 0.083 46 2HG LYS 6 3HG LYS 6 4.585 7.610 1.147 47 1HD LYS 6 2HD LYS 6 7.279 6.670 0.731 48 2HD LYS 6 3HD LYS 6 6.445 6.546 -0.796 49 1HE LYS 6 2HE LYS 6 6.504 9.114 0.841 50 2HE LYS 6 3HE LYS 6 7.666 8.735 -0.437 51 1HZ LYS 6 1HZ LYS 6 4.748 8.858 -0.898 52 2HZ LYS 6 2HZ LYS 6 5.816 10.074 -1.228 53 3HZ LYS 6 3HZ LYS 6 5.925 8.639 -2.017 54 H MET 7 HN MET 7 4.343 2.913 0.308 55 HA MET 7 HA MET 7 6.113 1.015 1.734 56 1HB MET 7 2HB MET 7 4.763 -0.790 0.771 57 2HB MET 7 3HB MET 7 3.912 0.106 2.019 58 1HG MET 7 2HG MET 7 2.430 1.122 0.516 59 2HG MET 7 3HG MET 7 3.498 0.889 -0.847 60 1HE MET 7 1HE MET 7 4.288 -1.441 -1.615 61 2HE MET 7 2HE MET 7 4.015 -2.567 -0.289 62 3HE MET 7 3HE MET 7 3.137 -2.801 -1.805 63 H LYS 8 HN LYS 8 7.607 0.066 0.552 64 HA LYS 8 HA LYS 8 8.134 1.029 -2.150 65 1HB LYS 8 2HB LYS 8 9.666 -0.200 -0.006 66 2HB LYS 8 3HB LYS 8 9.824 -1.203 -1.447 67 1HG LYS 8 2HG LYS 8 10.330 1.782 -1.266 68 2HG LYS 8 3HG LYS 8 11.575 0.512 -1.322 69 1HD LYS 8 2HD LYS 8 9.870 0.003 -3.528 70 2HD LYS 8 3HD LYS 8 10.022 1.760 -3.510 71 1HE LYS 8 2HE LYS 8 12.469 -0.051 -3.399 72 2HE LYS 8 3HE LYS 8 11.581 0.199 -4.915 73 1HZ LYS 8 1HZ LYS 8 12.831 2.328 -3.352 74 2HZ LYS 8 2HZ LYS 8 13.354 1.670 -4.772 75 3HZ LYS 8 3HZ LYS 8 11.949 2.530 -4.736 76 H VAL 9 HN VAL 9 7.513 0.003 -3.983 77 HA VAL 9 HA VAL 9 6.424 -2.783 -3.824 78 HB VAL 9 HB VAL 9 5.768 -0.662 -5.893 79 1HG1 VAL 9 1HG1 VAL 9 4.449 -3.326 -5.138 80 2HG1 VAL 9 2HG1 VAL 9 3.924 -2.262 -6.449 81 3HG1 VAL 9 3HG1 VAL 9 5.488 -3.092 -6.541 82 1HG2 VAL 9 1HG2 VAL 9 3.874 -1.491 -3.710 83 2HG2 VAL 9 2HG2 VAL 9 4.802 0.038 -3.670 84 3HG2 VAL 9 3HG2 VAL 9 3.640 -0.282 -4.964 85 H GLU 10 HN GLU 10 8.815 -3.308 -3.892 86 HA GLU 10 HA GLU 10 10.378 -2.470 -6.156 87 1HB GLU 10 2HB GLU 10 10.670 -4.742 -4.168 88 2HB GLU 10 3HB GLU 10 11.835 -4.486 -5.465 89 1HG GLU 10 2HG GLU 10 11.148 -2.209 -3.589 90 2HG GLU 10 3HG GLU 10 12.308 -3.462 -3.141 91 H GLY 11 HN GLY 11 11.272 -3.981 -7.787 92 1HA GLY 11 1HA GLY 11 11.107 -5.644 -9.386 93 2HA GLY 11 2HA GLY 11 9.718 -6.338 -8.544 94 H MET 12 HN MET 12 8.008 -4.052 -8.540 95 HA MET 12 HA MET 12 6.620 -4.095 -10.930 96 1HB MET 12 2HB MET 12 6.072 -3.011 -8.655 97 2HB MET 12 3HB MET 12 6.982 -1.611 -9.220 98 1HG MET 12 2HG MET 12 5.103 -2.238 -11.277 99 2HG MET 12 3HG MET 12 4.252 -2.483 -9.752 100 1HE MET 12 1HE MET 12 5.881 -0.082 -8.034 101 2HE MET 12 2HE MET 12 4.697 1.216 -8.218 102 3HE MET 12 3HE MET 12 4.138 -0.434 -7.844 103 H THR 13 HN THR 13 7.106 -3.370 -13.024 104 HA THR 13 HA THR 13 8.893 -1.093 -13.417 105 HB THR 13 HB THR 13 10.458 -2.913 -13.076 106 HG1 THR 13 1HG THR 13 11.548 -2.593 -15.027 107 1HG2 THR 13 1HG2 THR 13 9.156 -4.214 -15.499 108 2HG2 THR 13 2HG2 THR 13 10.581 -4.801 -14.613 109 3HG2 THR 13 3HG2 THR 13 8.993 -4.783 -13.823 110 H CYS 14 HN CYS 14 8.554 -0.106 -15.326 111 HA CYS 14 HA CYS 14 7.338 0.719 -17.005 112 1HB CYS 14 2HB CYS 14 7.581 -2.161 -17.782 113 2HB CYS 14 3HB CYS 14 6.293 -1.254 -18.590 114 HG CYS 14 HG CYS 14 8.409 -1.277 -20.079 115 H HIS 15 HN HIS 15 5.168 0.945 -18.015 116 HA HIS 15 HA HIS 15 3.385 1.483 -15.943 117 1HB HIS 15 2HB HIS 15 2.733 1.267 -18.899 118 2HB HIS 15 3HB HIS 15 1.815 2.148 -17.673 119 HD1 HIS 15 1HD HIS 15 4.557 2.666 -20.119 120 HD2 HIS 15 2HD HIS 15 3.272 4.292 -16.453 121 HE1 HIS 15 1HE HIS 15 5.711 4.929 -19.873 122 H SER 16 HN SER 16 3.078 -0.412 -14.724 123 HA SER 16 HA SER 16 0.987 -2.295 -15.483 124 1HB SER 16 2HB SER 16 3.098 -3.013 -16.722 125 2HB SER 16 3HB SER 16 3.924 -3.079 -15.154 126 HG SER 16 HG SER 16 2.996 -5.132 -15.885 127 H CYS 17 HN CYS 17 1.116 -4.053 -13.689 128 HA CYS 17 HA CYS 17 0.369 -4.251 -11.465 129 1HB CYS 17 2HB CYS 17 3.391 -4.030 -11.482 130 2HB CYS 17 3HB CYS 17 2.487 -4.459 -10.012 131 HG CYS 17 HG CYS 17 3.392 -6.610 -10.984 132 H THR 18 HN THR 18 -0.485 -1.822 -11.988 133 HA THR 18 HA THR 18 0.019 -0.325 -9.429 134 HB THR 18 HB THR 18 -0.797 1.666 -10.900 135 HG1 THR 18 1HG THR 18 0.300 0.185 -13.023 136 1HG2 THR 18 1HG2 THR 18 1.965 0.544 -11.528 137 2HG2 THR 18 2HG2 THR 18 1.407 2.220 -11.745 138 3HG2 THR 18 3HG2 THR 18 1.520 1.520 -10.131 139 H SER 19 HN SER 19 -2.300 -0.030 -12.078 140 HA SER 19 HA SER 19 -4.340 0.595 -10.331 141 1HB SER 19 2HB SER 19 -4.221 0.889 -12.934 142 2HB SER 19 3HB SER 19 -4.948 -0.733 -13.018 143 HG SER 19 HG SER 19 -6.422 1.146 -13.013 144 H THR 20 HN THR 20 -3.679 -2.655 -11.484 145 HA THR 20 HA THR 20 -5.693 -4.030 -10.162 146 HB THR 20 HB THR 20 -2.692 -4.604 -10.440 147 HG1 THR 20 1HG THR 20 -3.552 -5.925 -12.157 148 1HG2 THR 20 1HG2 THR 20 -5.001 -6.367 -9.591 149 2HG2 THR 20 2HG2 THR 20 -3.405 -6.995 -10.107 150 3HG2 THR 20 3HG2 THR 20 -3.535 -5.972 -8.665 151 H ILE 21 HN ILE 21 -2.562 -2.951 -8.737 152 HA ILE 21 HA ILE 21 -3.146 -3.917 -6.112 153 HB ILE 21 HB ILE 21 -1.096 -2.099 -7.409 154 1HG1 ILE 21 2HG1 ILE 21 0.392 -3.790 -6.130 155 2HG1 ILE 21 3HG1 ILE 21 -1.063 -4.772 -5.942 156 1HG2 ILE 21 1HG2 ILE 21 0.048 -1.681 -5.437 157 2HG2 ILE 21 2HG2 ILE 21 -1.554 -0.965 -5.308 158 3HG2 ILE 21 3HG2 ILE 21 -1.198 -2.483 -4.431 159 1HD1 ILE 21 1HD1 ILE 21 0.152 -3.732 -8.518 160 2HD1 ILE 21 2HD1 ILE 21 0.353 -5.382 -7.899 161 3HD1 ILE 21 3HD1 ILE 21 -1.247 -4.832 -8.440 162 H GLU 22 HN GLU 22 -3.538 -0.714 -7.719 163 HA GLU 22 HA GLU 22 -4.412 0.637 -5.450 164 1HB GLU 22 2HB GLU 22 -5.025 1.183 -8.382 165 2HB GLU 22 3HB GLU 22 -5.526 2.219 -7.073 166 1HG GLU 22 2HG GLU 22 -3.051 2.229 -6.334 167 2HG GLU 22 3HG GLU 22 -2.683 1.599 -7.940 168 H GLY 23 HN GLY 23 -6.432 -0.357 -8.051 169 1HA GLY 23 1HA GLY 23 -8.995 -0.121 -6.996 170 2HA GLY 23 2HA GLY 23 -8.539 -1.348 -8.192 171 H LYS 24 HN LYS 24 -6.850 -3.058 -6.760 172 HA LYS 24 HA LYS 24 -8.801 -4.549 -5.326 173 1HB LYS 24 2HB LYS 24 -6.847 -5.557 -6.553 174 2HB LYS 24 3HB LYS 24 -5.774 -4.906 -5.303 175 1HG LYS 24 2HG LYS 24 -6.125 -7.165 -4.709 176 2HG LYS 24 3HG LYS 24 -7.149 -6.245 -3.606 177 1HD LYS 24 2HD LYS 24 -8.985 -6.694 -5.550 178 2HD LYS 24 3HD LYS 24 -7.880 -8.015 -5.941 179 1HE LYS 24 2HE LYS 24 -8.053 -8.785 -3.530 180 2HE LYS 24 3HE LYS 24 -9.191 -7.460 -3.222 181 1HZ LYS 24 1HZ LYS 24 -9.626 -9.700 -5.085 182 2HZ LYS 24 2HZ LYS 24 -10.340 -9.493 -3.619 183 3HZ LYS 24 3HZ LYS 24 -10.670 -8.448 -4.844 184 H ILE 25 HN ILE 25 -5.846 -2.800 -4.077 185 HA ILE 25 HA ILE 25 -6.371 -3.130 -1.360 186 HB ILE 25 HB ILE 25 -5.041 -0.969 -3.055 187 1HG1 ILE 25 2HG1 ILE 25 -4.041 -3.333 -2.973 188 2HG1 ILE 25 3HG1 ILE 25 -2.982 -1.957 -2.629 189 1HG2 ILE 25 1HG2 ILE 25 -3.885 -0.263 -0.957 190 2HG2 ILE 25 2HG2 ILE 25 -5.561 0.241 -1.201 191 3HG2 ILE 25 3HG2 ILE 25 -5.168 -1.124 -0.100 192 1HD1 ILE 25 1HD1 ILE 25 -4.440 -3.509 -0.507 193 2HD1 ILE 25 2HD1 ILE 25 -2.800 -3.922 -1.063 194 3HD1 ILE 25 3HD1 ILE 25 -3.106 -2.357 -0.276 195 H GLY 26 HN GLY 26 -7.673 -0.756 -3.636 196 1HA GLY 26 1HA GLY 26 -9.170 0.918 -1.997 197 2HA GLY 26 2HA GLY 26 -9.579 0.437 -3.643 198 H LYS 27 HN LYS 27 -9.785 -2.545 -2.590 199 HA LYS 27 HA LYS 27 -12.591 -2.274 -1.663 200 1HB LYS 27 2HB LYS 27 -11.051 -4.262 -3.309 201 2HB LYS 27 3HB LYS 27 -12.276 -4.876 -2.205 202 1HG LYS 27 2HG LYS 27 -13.951 -3.343 -3.175 203 2HG LYS 27 3HG LYS 27 -12.734 -2.716 -4.306 204 1HD LYS 27 2HD LYS 27 -12.541 -4.877 -5.394 205 2HD LYS 27 3HD LYS 27 -13.527 -5.660 -4.134 206 1HE LYS 27 2HE LYS 27 -15.490 -4.276 -4.787 207 2HE LYS 27 3HE LYS 27 -14.529 -3.499 -6.057 208 1HZ LYS 27 1HZ LYS 27 -15.198 -6.370 -5.930 209 2HZ LYS 27 2HZ LYS 27 -15.916 -5.257 -6.899 210 3HZ LYS 27 3HZ LYS 27 -14.336 -5.636 -7.130 211 H LEU 28 HN LEU 28 -9.286 -3.130 -0.520 212 HA LEU 28 HA LEU 28 -10.187 -4.957 1.361 213 1HB LEU 28 2HB LEU 28 -7.768 -3.189 1.219 214 2HB LEU 28 3HB LEU 28 -8.036 -4.351 2.494 215 HG LEU 28 HG LEU 28 -6.746 -4.815 0.046 216 1HD1 LEU 28 1HD1 LEU 28 -6.303 -5.783 2.252 217 2HD1 LEU 28 2HD1 LEU 28 -7.877 -6.621 2.198 218 3HD1 LEU 28 3HD1 LEU 28 -6.575 -7.099 1.078 219 1HD2 LEU 28 1HD2 LEU 28 -8.931 -5.331 -1.037 220 2HD2 LEU 28 2HD2 LEU 28 -7.891 -6.750 -0.883 221 3HD2 LEU 28 3HD2 LEU 28 -9.244 -6.527 0.241 222 H GLN 29 HN GLN 29 -10.849 -4.810 3.303 223 HA GLN 29 HA GLN 29 -12.158 -2.592 4.413 224 1HB GLN 29 2HB GLN 29 -12.434 -3.950 6.389 225 2HB GLN 29 3HB GLN 29 -12.700 -4.877 4.909 226 1HG GLN 29 2HG GLN 29 -10.109 -5.451 5.199 227 2HG GLN 29 3HG GLN 29 -10.429 -5.016 6.875 228 1HE2 GLN 29 2HE2 GLN 29 -11.136 -6.727 8.165 229 2HE2 GLN 29 1HE2 GLN 29 -11.881 -8.187 7.529 230 H GLY 30 HN GLY 30 -11.208 -0.720 4.974 231 1HA GLY 30 1HA GLY 30 -10.074 0.278 6.918 232 2HA GLY 30 2HA GLY 30 -8.693 -0.788 6.633 233 H VAL 31 HN VAL 31 -9.139 -0.327 3.512 234 HA VAL 31 HA VAL 31 -7.412 1.993 3.469 235 HB VAL 31 HB VAL 31 -8.509 -0.047 1.550 236 1HG1 VAL 31 1HG1 VAL 31 -7.374 2.598 0.606 237 2HG1 VAL 31 2HG1 VAL 31 -7.547 1.139 -0.383 238 3HG1 VAL 31 3HG1 VAL 31 -8.995 1.914 0.266 239 1HG2 VAL 31 1HG2 VAL 31 -6.059 0.458 2.857 240 2HG2 VAL 31 2HG2 VAL 31 -6.393 -0.744 1.601 241 3HG2 VAL 31 3HG2 VAL 31 -5.751 0.864 1.179 242 H GLN 32 HN GLN 32 -7.846 3.957 2.882 243 HA GLN 32 HA GLN 32 -10.634 4.751 2.154 244 1HB GLN 32 2HB GLN 32 -8.518 5.949 3.708 245 2HB GLN 32 3HB GLN 32 -9.337 7.095 2.622 246 1HG GLN 32 2HG GLN 32 -10.651 5.241 4.677 247 2HG GLN 32 3HG GLN 32 -10.113 6.906 4.966 248 1HE2 GLN 32 2HE2 GLN 32 -12.400 7.029 5.659 249 2HE2 GLN 32 1HE2 GLN 32 -13.590 7.514 4.427 250 H ARG 33 HN ARG 33 -7.131 4.972 1.199 251 HA ARG 33 HA ARG 33 -7.915 5.259 -1.569 252 1HB ARG 33 2HB ARG 33 -8.108 7.582 -0.328 253 2HB ARG 33 3HB ARG 33 -6.348 7.582 -0.365 254 1HG ARG 33 2HG ARG 33 -6.355 7.657 -2.782 255 2HG ARG 33 3HG ARG 33 -8.050 7.152 -2.855 256 1HD ARG 33 2HD ARG 33 -8.811 9.275 -1.891 257 2HD ARG 33 3HD ARG 33 -7.158 9.758 -1.552 258 HE ARG 33 HE ARG 33 -6.954 10.583 -3.643 259 1HH1 ARG 33 1HH2 ARG 33 -9.625 8.287 -3.691 260 2HH1 ARG 33 2HH2 ARG 33 -10.038 8.549 -5.356 261 1HH2 ARG 33 1HH1 ARG 33 -7.467 10.973 -5.851 262 2HH2 ARG 33 2HH1 ARG 33 -8.780 10.134 -6.604 263 H ILE 34 HN ILE 34 -5.941 5.385 -2.999 264 HA ILE 34 HA ILE 34 -3.397 4.751 -1.780 265 HB ILE 34 HB ILE 34 -4.273 2.538 -1.907 266 1HG1 ILE 34 2HG1 ILE 34 -2.453 2.996 -4.307 267 2HG1 ILE 34 3HG1 ILE 34 -1.925 3.062 -2.629 268 1HG2 ILE 34 1HG2 ILE 34 -5.286 1.487 -3.768 269 2HG2 ILE 34 2HG2 ILE 34 -6.121 3.008 -3.629 270 3HG2 ILE 34 3HG2 ILE 34 -4.904 2.801 -4.891 271 1HD1 ILE 34 1HD1 ILE 34 -2.774 0.642 -4.207 272 2HD1 ILE 34 2HD1 ILE 34 -1.269 0.958 -3.354 273 3HD1 ILE 34 3HD1 ILE 34 -2.750 0.631 -2.452 274 H LYS 35 HN LYS 35 -1.663 5.239 -3.127 275 HA LYS 35 HA LYS 35 -2.156 6.110 -5.918 276 1HB LYS 35 2HB LYS 35 -0.584 7.716 -3.832 277 2HB LYS 35 3HB LYS 35 -0.740 8.048 -5.553 278 1HG LYS 35 2HG LYS 35 -2.270 9.529 -4.642 279 2HG LYS 35 3HG LYS 35 -3.286 8.174 -5.124 280 1HD LYS 35 2HD LYS 35 -4.087 8.124 -3.017 281 2HD LYS 35 3HD LYS 35 -2.504 7.557 -2.463 282 1HE LYS 35 2HE LYS 35 -1.763 9.927 -2.193 283 2HE LYS 35 3HE LYS 35 -3.409 10.455 -2.598 284 1HZ LYS 35 1HZ LYS 35 -2.666 8.726 -0.323 285 2HZ LYS 35 2HZ LYS 35 -3.073 10.317 -0.229 286 3HZ LYS 35 3HZ LYS 35 -4.194 9.206 -0.687 287 H VAL 36 HN VAL 36 -0.967 4.428 -6.871 288 HA VAL 36 HA VAL 36 1.645 3.605 -5.710 289 HB VAL 36 HB VAL 36 0.039 2.494 -8.030 290 1HG1 VAL 36 1HG1 VAL 36 2.520 1.382 -6.624 291 2HG1 VAL 36 2HG1 VAL 36 1.590 0.563 -7.882 292 3HG1 VAL 36 3HG1 VAL 36 2.489 2.047 -8.256 293 1HG2 VAL 36 1HG2 VAL 36 0.511 1.171 -5.328 294 2HG2 VAL 36 2HG2 VAL 36 -0.923 2.145 -5.672 295 3HG2 VAL 36 3HG2 VAL 36 -0.598 0.694 -6.627 296 H SER 37 HN SER 37 3.600 4.203 -6.635 297 HA SER 37 HA SER 37 3.481 5.994 -9.030 298 1HB SER 37 2HB SER 37 3.794 7.001 -6.703 299 2HB SER 37 3HB SER 37 5.395 6.237 -6.712 300 HG SER 37 HG SER 37 4.904 8.528 -7.691 301 H LEU 38 HN LEU 38 4.231 4.704 -10.653 302 HA LEU 38 HA LEU 38 6.131 2.618 -10.485 303 1HB LEU 38 2HB LEU 38 5.249 4.452 -12.745 304 2HB LEU 38 3HB LEU 38 6.469 3.199 -12.994 305 HG LEU 38 HG LEU 38 4.048 2.222 -11.582 306 1HD1 LEU 38 1HD1 LEU 38 2.932 3.720 -13.134 307 2HD1 LEU 38 2HD1 LEU 38 3.950 3.146 -14.471 308 3HD1 LEU 38 3HD1 LEU 38 2.773 2.045 -13.707 309 1HD2 LEU 38 1HD2 LEU 38 4.491 0.331 -13.090 310 2HD2 LEU 38 2HD2 LEU 38 5.624 1.330 -14.036 311 3HD2 LEU 38 3HD2 LEU 38 6.039 0.856 -12.388 312 H ASP 39 HN ASP 39 6.732 6.031 -11.624 313 HA ASP 39 HA ASP 39 9.389 6.083 -11.970 314 1HB ASP 39 2HB ASP 39 7.856 8.141 -10.302 315 2HB ASP 39 3HB ASP 39 9.324 8.407 -11.226 316 H ASN 40 HN ASN 40 7.760 6.562 -8.859 317 HA ASN 40 HA ASN 40 10.253 6.856 -7.525 318 1HB ASN 40 2HB ASN 40 7.783 7.835 -7.044 319 2HB ASN 40 3HB ASN 40 7.767 6.510 -5.883 320 1HD2 ASN 40 2HD2 ASN 40 8.864 9.716 -6.570 321 2HD2 ASN 40 1HD2 ASN 40 9.893 9.906 -5.163 322 H GLN 41 HN GLN 41 8.249 4.193 -8.294 323 HA GLN 41 HA GLN 41 8.173 2.012 -7.899 324 1HB GLN 41 2HB GLN 41 10.870 2.256 -6.502 325 2HB GLN 41 3HB GLN 41 10.158 0.813 -7.252 326 1HG GLN 41 2HG GLN 41 10.078 1.997 -9.401 327 2HG GLN 41 3HG GLN 41 10.853 3.395 -8.668 328 1HE2 GLN 41 2HE2 GLN 41 13.098 3.307 -8.044 329 2HE2 GLN 41 1HE2 GLN 41 14.134 2.018 -8.648 330 H GLU 42 HN GLU 42 7.269 3.981 -6.104 331 HA GLU 42 HA GLU 42 6.997 2.566 -3.468 332 1HB GLU 42 2HB GLU 42 8.245 5.107 -4.032 333 2HB GLU 42 3HB GLU 42 6.755 5.444 -3.157 334 1HG GLU 42 2HG GLU 42 8.843 3.416 -2.235 335 2HG GLU 42 3HG GLU 42 8.896 5.126 -1.803 336 H ALA 43 HN ALA 43 5.039 3.353 -2.241 337 HA ALA 43 HA ALA 43 2.842 4.301 -3.936 338 1HB ALA 43 1HB ALA 43 2.770 1.474 -2.790 339 2HB ALA 43 2HB ALA 43 1.403 2.332 -3.521 340 3HB ALA 43 3HB ALA 43 2.832 1.917 -4.496 341 H THR 44 HN THR 44 1.248 5.279 -2.763 342 HA THR 44 HA THR 44 1.830 5.592 0.106 343 HB THR 44 HB THR 44 0.871 7.512 -2.038 344 HG1 THR 44 1HG THR 44 2.996 7.349 -0.193 345 1HG2 THR 44 1HG2 THR 44 0.942 7.841 0.977 346 2HG2 THR 44 2HG2 THR 44 0.709 9.175 -0.183 347 3HG2 THR 44 3HG2 THR 44 -0.513 7.895 -0.042 348 H ILE 45 HN ILE 45 0.381 4.154 1.071 349 HA ILE 45 HA ILE 45 -2.326 3.932 -0.062 350 HB ILE 45 HB ILE 45 -0.979 2.285 2.086 351 1HG1 ILE 45 2HG1 ILE 45 -1.846 1.647 -0.738 352 2HG1 ILE 45 3HG1 ILE 45 -0.175 2.057 -0.340 353 1HG2 ILE 45 1HG2 ILE 45 -3.719 2.010 0.741 354 2HG2 ILE 45 2HG2 ILE 45 -3.013 0.796 1.823 355 3HG2 ILE 45 3HG2 ILE 45 -3.462 2.338 2.459 356 1HD1 ILE 45 1HD1 ILE 45 -1.653 -0.362 0.738 357 2HD1 ILE 45 2HD1 ILE 45 -0.433 -0.310 -0.523 358 3HD1 ILE 45 3HD1 ILE 45 -0.001 0.176 1.149 359 H VAL 46 HN VAL 46 -4.168 4.137 1.727 360 HA VAL 46 HA VAL 46 -3.386 5.769 4.052 361 HB VAL 46 HB VAL 46 -4.733 6.696 1.627 362 1HG1 VAL 46 1HG1 VAL 46 -6.289 7.040 4.210 363 2HG1 VAL 46 2HG1 VAL 46 -6.503 8.047 2.754 364 3HG1 VAL 46 3HG1 VAL 46 -6.770 6.309 2.647 365 1HG2 VAL 46 1HG2 VAL 46 -2.891 7.840 2.635 366 2HG2 VAL 46 2HG2 VAL 46 -4.321 8.886 2.575 367 3HG2 VAL 46 3HG2 VAL 46 -3.850 8.140 4.120 368 H TYR 47 HN TYR 47 -4.259 4.824 5.847 369 HA TYR 47 HA TYR 47 -6.805 3.456 5.742 370 1HB TYR 47 2HB TYR 47 -5.971 1.219 6.274 371 2HB TYR 47 3HB TYR 47 -5.291 1.745 4.744 372 HD1 TYR 47 1HD TYR 47 -2.928 1.632 4.429 373 HD2 TYR 47 2HD TYR 47 -4.527 1.339 8.411 374 HE1 TYR 47 1HE TYR 47 -0.800 0.738 5.246 375 HE2 TYR 47 2HE TYR 47 -2.284 0.938 9.289 376 HH TYR 47 HH TYR 47 0.008 -0.583 7.277 377 H GLN 48 HN GLN 48 -7.154 2.210 8.020 378 HA GLN 48 HA GLN 48 -5.679 3.629 10.101 379 1HB GLN 48 2HB GLN 48 -7.877 3.121 11.412 380 2HB GLN 48 3HB GLN 48 -7.686 4.599 10.451 381 1HG GLN 48 2HG GLN 48 -8.900 3.698 8.654 382 2HG GLN 48 3HG GLN 48 -8.982 2.098 9.439 383 1HE2 GLN 48 2HE2 GLN 48 -11.436 2.420 9.184 384 2HE2 GLN 48 1HE2 GLN 48 -12.253 3.394 10.392 385 HA PRO 49 HA PRO 49 -4.700 -0.418 11.770 386 1HB PRO 49 2HB PRO 49 -3.838 0.283 14.253 387 2HB PRO 49 3HB PRO 49 -2.915 0.674 12.784 388 1HG PRO 49 2HG PRO 49 -4.846 2.476 14.278 389 2HG PRO 49 3HG PRO 49 -3.177 2.859 13.782 390 1HD PRO 49 2HD PRO 49 -5.319 3.603 12.296 391 2HD PRO 49 3HD PRO 49 -3.817 3.051 11.496 392 H HIS 50 HN HIS 50 -6.944 -0.966 11.608 393 HA HIS 50 HA HIS 50 -8.246 -1.589 14.128 394 1HB HIS 50 2HB HIS 50 -9.082 0.590 14.227 395 2HB HIS 50 3HB HIS 50 -9.128 0.774 12.473 396 HD1 HIS 50 1HD HIS 50 -11.575 1.343 12.006 397 HD2 HIS 50 2HD HIS 50 -11.023 -1.968 14.554 398 HE1 HIS 50 1HE HIS 50 -13.876 0.292 12.358 399 H LEU 51 HN LEU 51 -9.027 -0.928 10.672 400 HA LEU 51 HA LEU 51 -10.500 -3.475 10.505 401 1HB LEU 51 2HB LEU 51 -9.949 -1.190 8.625 402 2HB LEU 51 3HB LEU 51 -10.737 -2.677 8.070 403 HG LEU 51 HG LEU 51 -11.814 -1.110 10.427 404 1HD1 LEU 51 1HD1 LEU 51 -12.525 -0.747 7.488 405 2HD1 LEU 51 2HD1 LEU 51 -13.404 -0.032 8.856 406 3HD1 LEU 51 3HD1 LEU 51 -11.729 0.445 8.540 407 1HD2 LEU 51 1HD2 LEU 51 -13.127 -3.038 8.461 408 2HD2 LEU 51 2HD2 LEU 51 -12.688 -3.423 10.136 409 3HD2 LEU 51 3HD2 LEU 51 -13.935 -2.218 9.806 410 H ILE 52 HN ILE 52 -7.227 -2.237 9.807 411 HA ILE 52 HA ILE 52 -6.604 -4.784 8.484 412 HB ILE 52 HB ILE 52 -6.625 -2.798 7.057 413 1HG1 ILE 52 2HG1 ILE 52 -4.422 -3.266 6.023 414 2HG1 ILE 52 3HG1 ILE 52 -3.877 -4.153 7.395 415 1HG2 ILE 52 1HG2 ILE 52 -4.389 -1.902 8.870 416 2HG2 ILE 52 2HG2 ILE 52 -4.705 -1.222 7.265 417 3HG2 ILE 52 3HG2 ILE 52 -5.945 -1.125 8.525 418 1HD1 ILE 52 1HD1 ILE 52 -6.464 -4.832 5.916 419 2HD1 ILE 52 2HD1 ILE 52 -4.889 -5.458 5.375 420 3HD1 ILE 52 3HD1 ILE 52 -5.525 -5.904 6.971 421 H SER 53 HN SER 53 -4.410 -5.479 8.790 422 HA SER 53 HA SER 53 -3.644 -5.140 11.607 423 1HB SER 53 2HB SER 53 -2.742 -7.104 9.585 424 2HB SER 53 3HB SER 53 -2.333 -7.164 11.309 425 HG SER 53 HG SER 53 -4.131 -8.527 10.865 426 H VAL 54 HN VAL 54 -3.094 -3.196 9.559 427 HA VAL 54 HA VAL 54 -1.671 -1.626 8.993 428 HB VAL 54 HB VAL 54 -0.519 -2.751 11.443 429 1HG1 VAL 54 1HG1 VAL 54 1.399 -1.417 9.500 430 2HG1 VAL 54 2HG1 VAL 54 1.655 -1.520 11.258 431 3HG1 VAL 54 3HG1 VAL 54 1.580 -2.999 10.296 432 1HG2 VAL 54 1HG2 VAL 54 -0.432 -0.472 12.079 433 2HG2 VAL 54 2HG2 VAL 54 -0.507 0.072 10.393 434 3HG2 VAL 54 3HG2 VAL 54 -1.925 -0.702 11.143 435 H GLU 55 HN GLU 55 0.184 -4.576 9.350 436 HA GLU 55 HA GLU 55 1.833 -4.055 7.027 437 1HB GLU 55 2HB GLU 55 2.055 -5.571 9.401 438 2HB GLU 55 3HB GLU 55 1.859 -6.768 8.124 439 1HG GLU 55 2HG GLU 55 4.228 -6.342 8.410 440 2HG GLU 55 3HG GLU 55 3.796 -5.487 6.906 441 H GLU 56 HN GLU 56 -1.094 -5.960 7.766 442 HA GLU 56 HA GLU 56 -0.948 -7.875 5.803 443 1HB GLU 56 2HB GLU 56 -3.201 -6.476 7.195 444 2HB GLU 56 3HB GLU 56 -3.597 -7.428 5.761 445 1HG GLU 56 2HG GLU 56 -1.990 -8.570 8.067 446 2HG GLU 56 3HG GLU 56 -3.748 -8.754 7.868 447 H MET 57 HN MET 57 -2.251 -4.554 5.336 448 HA MET 57 HA MET 57 -2.991 -4.694 2.669 449 1HB MET 57 2HB MET 57 -2.138 -2.680 4.685 450 2HB MET 57 3HB MET 57 -1.811 -2.164 3.010 451 1HG MET 57 2HG MET 57 -4.062 -2.323 2.418 452 2HG MET 57 3HG MET 57 -4.462 -3.400 3.752 453 1HE MET 57 1HE MET 57 -6.748 -0.916 5.197 454 2HE MET 57 2HE MET 57 -6.732 -1.605 3.558 455 3HE MET 57 3HE MET 57 -6.344 -2.617 4.920 456 H LYS 58 HN LYS 58 0.328 -4.117 3.925 457 HA LYS 58 HA LYS 58 1.422 -3.991 1.220 458 1HB LYS 58 2HB LYS 58 2.291 -2.672 3.091 459 2HB LYS 58 3HB LYS 58 2.735 -4.131 3.967 460 1HG LYS 58 2HG LYS 58 3.869 -4.155 1.242 461 2HG LYS 58 3HG LYS 58 4.237 -2.647 2.056 462 1HD LYS 58 2HD LYS 58 5.995 -4.190 2.517 463 2HD LYS 58 3HD LYS 58 5.144 -3.916 4.028 464 1HE LYS 58 2HE LYS 58 5.712 -6.208 3.851 465 2HE LYS 58 3HE LYS 58 3.956 -6.005 3.658 466 1HZ LYS 58 1HZ LYS 58 5.909 -6.408 1.473 467 2HZ LYS 58 2HZ LYS 58 5.024 -7.577 2.126 468 3HZ LYS 58 3HZ LYS 58 4.232 -6.391 1.298 469 H LYS 59 HN LYS 59 1.144 -6.526 3.748 470 HA LYS 59 HA LYS 59 2.845 -8.448 2.459 471 1HB LYS 59 2HB LYS 59 0.806 -8.363 4.623 472 2HB LYS 59 3HB LYS 59 0.969 -9.912 3.820 473 1HG LYS 59 2HG LYS 59 2.294 -9.588 5.850 474 2HG LYS 59 3HG LYS 59 3.203 -10.174 4.441 475 1HD LYS 59 2HD LYS 59 4.273 -8.039 4.097 476 2HD LYS 59 3HD LYS 59 3.269 -7.238 5.302 477 1HE LYS 59 2HE LYS 59 5.383 -9.418 5.733 478 2HE LYS 59 3HE LYS 59 5.536 -7.706 6.139 479 1HZ LYS 59 1HZ LYS 59 3.748 -9.651 7.429 480 2HZ LYS 59 2HZ LYS 59 5.030 -8.866 8.095 481 3HZ LYS 59 3HZ LYS 59 3.674 -8.029 7.692 482 H GLN 60 HN GLN 60 -0.524 -7.419 1.837 483 HA GLN 60 HA GLN 60 -1.128 -9.768 0.320 484 1HB GLN 60 2HB GLN 60 -3.162 -8.926 0.088 485 2HB GLN 60 3HB GLN 60 -2.650 -7.746 1.293 486 1HG GLN 60 2HG GLN 60 -1.972 -6.233 -0.595 487 2HG GLN 60 3HG GLN 60 -2.594 -7.428 -1.734 488 1HE2 GLN 60 2HE2 GLN 60 -4.639 -6.922 -2.454 489 2HE2 GLN 60 1HE2 GLN 60 -5.820 -6.030 -1.502 490 H ILE 61 HN ILE 61 0.487 -6.721 -0.408 491 HA ILE 61 HA ILE 61 0.641 -7.158 -3.248 492 HB ILE 61 HB ILE 61 2.184 -5.399 -1.386 493 1HG1 ILE 61 2HG1 ILE 61 1.225 -3.798 -3.382 494 2HG1 ILE 61 3HG1 ILE 61 0.012 -5.063 -3.485 495 1HG2 ILE 61 1HG2 ILE 61 3.758 -6.203 -3.216 496 2HG2 ILE 61 2HG2 ILE 61 2.550 -5.722 -4.417 497 3HG2 ILE 61 3HG2 ILE 61 3.342 -4.500 -3.403 498 1HD1 ILE 61 1HD1 ILE 61 0.785 -3.524 -0.974 499 2HD1 ILE 61 2HD1 ILE 61 -0.622 -3.178 -2.002 500 3HD1 ILE 61 3HD1 ILE 61 -0.518 -4.719 -1.129 501 H GLU 62 HN GLU 62 2.808 -8.132 -0.500 502 HA GLU 62 HA GLU 62 4.911 -9.256 -2.037 503 1HB GLU 62 2HB GLU 62 3.844 -9.692 0.737 504 2HB GLU 62 3HB GLU 62 4.796 -10.991 0.024 505 1HG GLU 62 2HG GLU 62 6.602 -9.518 -0.502 506 2HG GLU 62 3HG GLU 62 5.714 -8.123 0.102 507 H ALA 63 HN ALA 63 1.860 -10.577 -0.752 508 HA ALA 63 HA ALA 63 2.011 -13.183 -1.731 509 1HB ALA 63 1HB ALA 63 -0.329 -13.322 -1.186 510 2HB ALA 63 2HB ALA 63 0.466 -12.259 0.004 511 3HB ALA 63 3HB ALA 63 -0.516 -11.562 -1.293 512 H MET 64 HN MET 64 1.336 -10.276 -3.651 513 HA MET 64 HA MET 64 -0.009 -11.661 -5.816 514 1HB MET 64 2HB MET 64 1.665 -9.114 -5.885 515 2HB MET 64 3HB MET 64 0.582 -9.693 -7.146 516 1HG MET 64 2HG MET 64 -0.296 -8.947 -4.357 517 2HG MET 64 3HG MET 64 -0.396 -7.874 -5.742 518 1HE MET 64 1HE MET 64 -2.868 -7.628 -4.592 519 2HE MET 64 2HE MET 64 -4.076 -8.941 -4.623 520 3HE MET 64 3HE MET 64 -2.674 -9.053 -3.535 521 H GLY 65 HN GLY 65 3.316 -11.371 -4.710 522 1HA GLY 65 1HA GLY 65 4.783 -13.170 -5.640 523 2HA GLY 65 2HA GLY 65 4.385 -12.552 -7.252 524 H PHE 66 HN PHE 66 4.302 -9.731 -6.275 525 HA PHE 66 HA PHE 66 7.082 -9.159 -6.870 526 1HB PHE 66 2HB PHE 66 4.692 -7.376 -6.324 527 2HB PHE 66 3HB PHE 66 6.304 -6.780 -6.690 528 HD1 PHE 66 1HD PHE 66 7.282 -6.947 -8.892 529 HD2 PHE 66 2HD PHE 66 3.424 -8.704 -8.098 530 HE1 PHE 66 1HE PHE 66 7.070 -7.559 -11.275 531 HE2 PHE 66 2HE PHE 66 3.243 -9.371 -10.468 532 HZ PHE 66 HZ PHE 66 5.053 -8.784 -12.076 533 HA PRO 67 HA PRO 67 7.849 -9.113 -2.366 534 1HB PRO 67 2HB PRO 67 10.497 -8.353 -2.362 535 2HB PRO 67 3HB PRO 67 9.929 -10.011 -2.712 536 1HG PRO 67 2HG PRO 67 10.652 -7.845 -4.696 537 2HG PRO 67 3HG PRO 67 11.161 -9.559 -4.708 538 1HD PRO 67 2HD PRO 67 9.107 -8.648 -6.220 539 2HD PRO 67 3HD PRO 67 9.020 -10.267 -5.459 540 H ALA 68 HN ALA 68 7.088 -7.413 -1.140 541 HA ALA 68 HA ALA 68 7.822 -4.622 -1.894 542 1HB ALA 68 1HB ALA 68 5.461 -4.016 -1.398 543 2HB ALA 68 2HB ALA 68 5.642 -5.066 -2.811 544 3HB ALA 68 3HB ALA 68 5.061 -5.743 -1.263 545 H PHE 69 HN PHE 69 7.046 -3.183 0.050 546 HA PHE 69 HA PHE 69 8.153 -4.307 2.487 547 1HB PHE 69 2HB PHE 69 9.991 -3.725 0.547 548 2HB PHE 69 3HB PHE 69 9.879 -2.160 1.328 549 HD1 PHE 69 1HD PHE 69 10.398 -1.973 3.833 550 HD2 PHE 69 2HD PHE 69 10.988 -5.630 1.611 551 HE1 PHE 69 1HE PHE 69 11.702 -2.913 5.712 552 HE2 PHE 69 2HE PHE 69 12.360 -6.528 3.462 553 HZ PHE 69 HZ PHE 69 12.723 -5.176 5.517 554 H VAL 70 HN VAL 70 7.838 -2.830 4.281 555 HA VAL 70 HA VAL 70 6.186 -0.440 3.670 556 HB VAL 70 HB VAL 70 6.415 -2.428 5.871 557 1HG1 VAL 70 1HG1 VAL 70 7.170 -0.551 7.203 558 2HG1 VAL 70 2HG1 VAL 70 5.896 0.483 6.519 559 3HG1 VAL 70 3HG1 VAL 70 5.471 -0.888 7.562 560 1HG2 VAL 70 1HG2 VAL 70 4.103 -0.578 5.262 561 2HG2 VAL 70 2HG2 VAL 70 4.501 -1.862 4.134 562 3HG2 VAL 70 3HG2 VAL 70 4.074 -2.267 5.800 563 H LYS 71 HN LYS 71 7.031 1.519 3.738 564 HA LYS 71 HA LYS 71 9.698 1.926 5.058 565 1HB LYS 71 2HB LYS 71 8.289 3.754 3.083 566 2HB LYS 71 3HB LYS 71 9.857 3.982 3.866 567 1HG LYS 71 2HG LYS 71 10.347 1.563 2.748 568 2HG LYS 71 3HG LYS 71 9.025 2.085 1.691 569 1HD LYS 71 2HD LYS 71 10.862 2.956 0.560 570 2HD LYS 71 3HD LYS 71 10.343 4.337 1.522 571 1HE LYS 71 2HE LYS 71 12.077 3.568 3.300 572 2HE LYS 71 3HE LYS 71 12.615 2.356 2.130 573 1HZ LYS 71 1HZ LYS 71 12.720 5.278 1.783 574 2HZ LYS 71 2HZ LYS 71 13.993 4.272 2.045 575 3HZ LYS 71 3HZ LYS 71 13.159 4.186 0.631 576 H LYS 72 HN LYS 72 6.581 3.687 4.621 577 HA LYS 72 HA LYS 72 7.038 4.974 7.279 578 1HB LYS 72 2HB LYS 72 6.258 6.145 4.928 579 2HB LYS 72 3HB LYS 72 4.684 5.782 5.665 580 1HG LYS 72 2HG LYS 72 5.711 6.905 7.807 581 2HG LYS 72 3HG LYS 72 6.953 7.503 6.697 582 1HD LYS 72 2HD LYS 72 5.114 8.519 5.296 583 2HD LYS 72 3HD LYS 72 3.931 7.931 6.491 584 1HE LYS 72 2HE LYS 72 5.111 9.250 8.276 585 2HE LYS 72 3HE LYS 72 6.223 9.888 7.052 586 1HZ LYS 72 1HZ LYS 72 3.303 10.297 7.118 587 2HZ LYS 72 2HZ LYS 72 4.443 11.403 7.541 588 3HZ LYS 72 3HZ LYS 72 4.326 10.910 5.977 589 H ILE 73 HN ILE 73 4.815 5.251 8.518 590 HA ILE 73 HA ILE 73 3.185 2.837 8.410 591 HB ILE 73 HB ILE 73 3.714 3.036 11.131 592 1HG1 ILE 73 2HG1 ILE 73 6.406 3.106 9.740 593 2HG1 ILE 73 3HG1 ILE 73 5.684 4.501 10.575 594 1HG2 ILE 73 1HG2 ILE 73 4.935 1.153 9.087 595 2HG2 ILE 73 2HG2 ILE 73 4.713 0.824 10.822 596 3HG2 ILE 73 3HG2 ILE 73 3.302 1.036 9.784 597 1HD1 ILE 73 1HD1 ILE 73 6.416 1.848 11.875 598 2HD1 ILE 73 2HD1 ILE 73 7.236 3.406 12.068 599 3HD1 ILE 73 3HD1 ILE 73 5.583 3.199 12.681 600 H GLU 74 HN GLU 74 1.605 3.046 10.437 601 HA GLU 74 HA GLU 74 0.086 5.447 9.930 602 1HB GLU 74 2HB GLU 74 -1.646 4.389 11.014 603 2HB GLU 74 3HB GLU 74 -0.799 3.109 10.150 604 1HG GLU 74 2HG GLU 74 -0.760 3.674 13.144 605 2HG GLU 74 3HG GLU 74 -1.452 2.293 12.292 606 H GLY 75 HN GLY 75 -0.883 6.445 12.117 607 1HA GLY 75 1HA GLY 75 -0.307 6.805 14.533 608 2HA GLY 75 2HA GLY 75 1.357 7.102 14.009 609 H ARG 76 HN ARG 76 0.860 9.184 15.199 610 HA ARG 76 HA ARG 76 -0.349 11.255 13.433 611 1HB ARG 76 2HB ARG 76 -0.193 11.082 16.470 612 2HB ARG 76 3HB ARG 76 -0.569 12.564 15.578 613 1HG ARG 76 2HG ARG 76 -2.643 11.708 14.762 614 2HG ARG 76 3HG ARG 76 -2.208 10.041 15.157 615 1HD ARG 76 2HD ARG 76 -3.828 10.793 16.758 616 2HD ARG 76 3HD ARG 76 -2.259 10.541 17.561 617 HE ARG 76 HE ARG 76 -2.455 13.266 16.765 618 1HH1 ARG 76 1HH2 ARG 76 -3.822 11.009 19.089 619 2HH1 ARG 76 2HH2 ARG 76 -4.338 12.207 20.234 620 1HH2 ARG 76 1HH1 ARG 76 -3.146 14.929 18.258 621 2HH2 ARG 76 2HH1 ARG 76 -3.930 14.496 19.741 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -5.863 7.498 12.666 2 2H GLY 1 2H GLY 1 -6.829 6.587 13.624 3 3H GLY 1 3H GLY 1 -6.092 5.910 12.320 4 1HA GLY 1 1HA GLY 1 -8.342 6.333 11.653 5 2HA GLY 1 2HA GLY 1 -8.169 7.992 12.255 6 H GLU 2 HN GLU 2 -8.241 6.380 9.436 7 HA GLU 2 HA GLU 2 -6.983 6.427 7.443 8 1HB GLU 2 2HB GLU 2 -7.912 8.535 6.354 9 2HB GLU 2 3HB GLU 2 -9.041 7.394 7.082 10 1HG GLU 2 2HG GLU 2 -9.313 8.836 9.062 11 2HG GLU 2 3HG GLU 2 -8.096 9.957 8.418 12 H VAL 3 HN VAL 3 -4.752 6.368 8.379 13 HA VAL 3 HA VAL 3 -3.335 8.930 8.237 14 HB VAL 3 HB VAL 3 -1.450 7.350 9.146 15 1HG1 VAL 3 1HG1 VAL 3 -1.893 8.240 11.326 16 2HG1 VAL 3 2HG1 VAL 3 -2.319 9.471 10.149 17 3HG1 VAL 3 3HG1 VAL 3 -3.603 8.527 10.938 18 1HG2 VAL 3 1HG2 VAL 3 -2.284 5.703 10.699 19 2HG2 VAL 3 2HG2 VAL 3 -3.963 6.190 10.351 20 3HG2 VAL 3 3HG2 VAL 3 -2.975 5.395 9.101 21 H VAL 4 HN VAL 4 -1.597 9.140 6.928 22 HA VAL 4 HA VAL 4 -1.586 7.628 4.474 23 HB VAL 4 HB VAL 4 -0.158 10.090 5.540 24 1HG1 VAL 4 1HG1 VAL 4 1.459 9.055 4.116 25 2HG1 VAL 4 2HG1 VAL 4 0.210 8.651 2.914 26 3HG1 VAL 4 3HG1 VAL 4 0.689 10.347 3.182 27 1HG2 VAL 4 1HG2 VAL 4 -1.484 11.203 3.773 28 2HG2 VAL 4 2HG2 VAL 4 -2.177 9.643 3.286 29 3HG2 VAL 4 3HG2 VAL 4 -2.553 10.330 4.881 30 H LEU 5 HN LEU 5 -0.321 5.952 4.094 31 HA LEU 5 HA LEU 5 2.193 5.388 5.632 32 1HB LEU 5 2HB LEU 5 0.705 3.580 5.874 33 2HB LEU 5 3HB LEU 5 0.180 3.689 4.196 34 HG LEU 5 HG LEU 5 2.347 2.885 3.376 35 1HD1 LEU 5 1HD1 LEU 5 3.706 3.715 5.535 36 2HD1 LEU 5 2HD1 LEU 5 3.241 2.129 6.159 37 3HD1 LEU 5 3HD1 LEU 5 4.167 2.251 4.670 38 1HD2 LEU 5 1HD2 LEU 5 2.029 0.589 4.226 39 2HD2 LEU 5 2HD2 LEU 5 1.100 1.273 5.585 40 3HD2 LEU 5 3HD2 LEU 5 0.502 1.425 3.918 41 H LYS 6 HN LYS 6 4.055 5.277 4.321 42 HA LYS 6 HA LYS 6 3.703 5.381 1.376 43 1HB LYS 6 2HB LYS 6 4.864 7.378 2.384 44 2HB LYS 6 3HB LYS 6 6.175 6.299 2.883 45 1HG LYS 6 2HG LYS 6 6.994 6.162 0.740 46 2HG LYS 6 3HG LYS 6 5.411 5.837 0.081 47 1HD LYS 6 2HD LYS 6 5.917 7.755 -0.980 48 2HD LYS 6 3HD LYS 6 4.876 8.344 0.301 49 1HE LYS 6 2HE LYS 6 6.600 9.454 1.415 50 2HE LYS 6 3HE LYS 6 7.836 8.312 0.873 51 1HZ LYS 6 1HZ LYS 6 6.593 10.299 -0.895 52 2HZ LYS 6 2HZ LYS 6 8.106 10.397 -0.237 53 3HZ LYS 6 3HZ LYS 6 7.745 9.194 -1.295 54 H MET 7 HN MET 7 4.208 3.459 0.439 55 HA MET 7 HA MET 7 5.914 1.494 1.919 56 1HB MET 7 2HB MET 7 4.613 -0.263 1.047 57 2HB MET 7 3HB MET 7 3.434 0.914 1.623 58 1HG MET 7 2HG MET 7 3.232 1.775 -0.691 59 2HG MET 7 3HG MET 7 4.376 0.564 -1.257 60 1HE MET 7 1HE MET 7 3.306 -2.080 0.422 61 2HE MET 7 2HE MET 7 2.644 -2.782 -1.070 62 3HE MET 7 3HE MET 7 4.180 -1.895 -1.115 63 H LYS 8 HN LYS 8 7.070 0.027 0.472 64 HA LYS 8 HA LYS 8 8.075 1.272 -2.030 65 1HB LYS 8 2HB LYS 8 9.270 -0.503 0.056 66 2HB LYS 8 3HB LYS 8 9.718 -0.861 -1.608 67 1HG LYS 8 2HG LYS 8 9.960 1.908 -0.388 68 2HG LYS 8 3HG LYS 8 11.251 0.701 -0.349 69 1HD LYS 8 2HD LYS 8 10.306 0.867 -3.087 70 2HD LYS 8 3HD LYS 8 10.497 2.511 -2.493 71 1HE LYS 8 2HE LYS 8 12.596 2.007 -3.414 72 2HE LYS 8 3HE LYS 8 12.856 1.773 -1.684 73 1HZ LYS 8 1HZ LYS 8 12.490 -0.278 -3.782 74 2HZ LYS 8 2HZ LYS 8 13.781 -0.087 -2.797 75 3HZ LYS 8 3HZ LYS 8 12.360 -0.711 -2.254 76 H VAL 9 HN VAL 9 7.372 0.395 -3.843 77 HA VAL 9 HA VAL 9 6.298 -2.389 -3.973 78 HB VAL 9 HB VAL 9 5.439 0.007 -5.668 79 1HG1 VAL 9 1HG1 VAL 9 3.625 -1.564 -6.380 80 2HG1 VAL 9 2HG1 VAL 9 5.228 -2.133 -6.847 81 3HG1 VAL 9 3HG1 VAL 9 4.403 -2.859 -5.447 82 1HG2 VAL 9 1HG2 VAL 9 4.039 -1.358 -3.346 83 2HG2 VAL 9 2HG2 VAL 9 4.582 0.341 -3.443 84 3HG2 VAL 9 3HG2 VAL 9 3.257 -0.228 -4.467 85 H GLU 10 HN GLU 10 8.646 -2.758 -4.158 86 HA GLU 10 HA GLU 10 9.965 -1.927 -6.647 87 1HB GLU 10 2HB GLU 10 11.944 -2.819 -5.828 88 2HB GLU 10 3HB GLU 10 11.147 -1.735 -4.689 89 1HG GLU 10 2HG GLU 10 10.046 -4.155 -4.005 90 2HG GLU 10 3HG GLU 10 11.598 -4.642 -4.627 91 H GLY 11 HN GLY 11 11.251 -3.804 -7.765 92 1HA GLY 11 1HA GLY 11 11.142 -5.718 -9.047 93 2HA GLY 11 2HA GLY 11 9.714 -6.257 -8.160 94 H MET 12 HN MET 12 7.780 -4.412 -8.618 95 HA MET 12 HA MET 12 7.006 -4.833 -11.341 96 1HB MET 12 2HB MET 12 6.020 -2.699 -9.389 97 2HB MET 12 3HB MET 12 5.310 -3.107 -10.955 98 1HG MET 12 2HG MET 12 3.928 -4.181 -9.603 99 2HG MET 12 3HG MET 12 5.015 -5.510 -10.013 100 1HE MET 12 1HE MET 12 3.424 -5.830 -6.335 101 2HE MET 12 2HE MET 12 2.739 -4.676 -7.500 102 3HE MET 12 3HE MET 12 3.227 -6.294 -8.042 103 H THR 13 HN THR 13 7.527 -3.754 -13.198 104 HA THR 13 HA THR 13 8.134 -0.953 -13.313 105 HB THR 13 HB THR 13 10.224 -1.599 -12.353 106 HG1 THR 13 1HG THR 13 11.513 -0.689 -13.966 107 1HG2 THR 13 1HG2 THR 13 10.872 -3.239 -14.803 108 2HG2 THR 13 2HG2 THR 13 11.763 -3.096 -13.279 109 3HG2 THR 13 3HG2 THR 13 10.216 -3.964 -13.321 110 H CYS 14 HN CYS 14 6.208 -1.442 -14.642 111 HA CYS 14 HA CYS 14 6.915 -2.031 -17.446 112 1HB CYS 14 2HB CYS 14 5.405 -3.947 -17.630 113 2HB CYS 14 3HB CYS 14 6.646 -4.289 -16.417 114 HG CYS 14 HG CYS 14 4.278 -5.233 -15.712 115 H HIS 15 HN HIS 15 5.783 0.243 -16.003 116 HA HIS 15 HA HIS 15 3.940 1.604 -15.887 117 1HB HIS 15 2HB HIS 15 5.407 1.560 -18.281 118 2HB HIS 15 3HB HIS 15 3.755 1.777 -18.811 119 HD1 HIS 15 1HD HIS 15 2.452 3.903 -17.350 120 HD2 HIS 15 2HD HIS 15 6.656 3.674 -17.434 121 HE1 HIS 15 1HE HIS 15 3.333 6.198 -16.637 122 H SER 16 HN SER 16 2.727 -0.535 -15.162 123 HA SER 16 HA SER 16 0.082 -0.581 -16.455 124 1HB SER 16 2HB SER 16 1.457 -2.065 -17.886 125 2HB SER 16 3HB SER 16 1.951 -2.990 -16.454 126 HG SER 16 HG SER 16 0.144 -3.893 -17.658 127 H CYS 17 HN CYS 17 2.292 -2.364 -14.245 128 HA CYS 17 HA CYS 17 0.217 -3.177 -12.441 129 1HB CYS 17 2HB CYS 17 3.247 -3.120 -12.205 130 2HB CYS 17 3HB CYS 17 2.157 -3.772 -10.964 131 HG CYS 17 HG CYS 17 3.181 -5.734 -12.262 132 H THR 18 HN THR 18 -0.660 -0.840 -12.462 133 HA THR 18 HA THR 18 -0.043 0.206 -9.726 134 HB THR 18 HB THR 18 -0.772 2.464 -10.601 135 HG1 THR 18 1HG THR 18 -0.900 2.757 -12.830 136 1HG2 THR 18 1HG2 THR 18 1.603 1.420 -12.195 137 2HG2 THR 18 2HG2 THR 18 1.290 3.102 -11.716 138 3HG2 THR 18 3HG2 THR 18 1.686 1.890 -10.485 139 H SER 19 HN SER 19 -2.515 0.848 -12.256 140 HA SER 19 HA SER 19 -4.478 1.082 -10.463 141 1HB SER 19 2HB SER 19 -5.042 -0.052 -13.241 142 2HB SER 19 3HB SER 19 -6.007 1.131 -12.328 143 HG SER 19 HG SER 19 -4.711 2.169 -13.912 144 H THR 20 HN THR 20 -3.660 -2.020 -11.897 145 HA THR 20 HA THR 20 -5.767 -3.517 -10.718 146 HB THR 20 HB THR 20 -3.011 -4.066 -11.781 147 HG1 THR 20 1HG THR 20 -4.271 -5.612 -12.905 148 1HG2 THR 20 1HG2 THR 20 -4.401 -6.008 -9.920 149 2HG2 THR 20 2HG2 THR 20 -3.120 -6.448 -11.081 150 3HG2 THR 20 3HG2 THR 20 -2.763 -5.320 -9.769 151 H ILE 21 HN ILE 21 -2.585 -2.571 -9.351 152 HA ILE 21 HA ILE 21 -3.010 -3.850 -6.813 153 HB ILE 21 HB ILE 21 -1.105 -1.741 -7.913 154 1HG1 ILE 21 2HG1 ILE 21 0.392 -3.767 -6.911 155 2HG1 ILE 21 3HG1 ILE 21 -1.034 -4.685 -7.378 156 1HG2 ILE 21 1HG2 ILE 21 -0.987 -2.714 -5.074 157 2HG2 ILE 21 2HG2 ILE 21 0.114 -1.611 -5.961 158 3HG2 ILE 21 3HG2 ILE 21 -1.528 -1.099 -5.597 159 1HD1 ILE 21 1HD1 ILE 21 0.688 -2.873 -9.103 160 2HD1 ILE 21 2HD1 ILE 21 0.582 -4.640 -9.197 161 3HD1 ILE 21 3HD1 ILE 21 -0.800 -3.645 -9.700 162 H GLU 22 HN GLU 22 -3.503 -0.482 -8.037 163 HA GLU 22 HA GLU 22 -4.247 0.599 -5.573 164 1HB GLU 22 2HB GLU 22 -5.043 1.399 -8.410 165 2HB GLU 22 3HB GLU 22 -5.426 2.355 -7.005 166 1HG GLU 22 2HG GLU 22 -2.957 2.456 -6.464 167 2HG GLU 22 3HG GLU 22 -2.630 1.654 -8.000 168 H GLY 23 HN GLY 23 -6.351 -0.193 -8.243 169 1HA GLY 23 1HA GLY 23 -8.890 -0.050 -7.149 170 2HA GLY 23 2HA GLY 23 -8.435 -1.154 -8.459 171 H LYS 24 HN LYS 24 -6.818 -3.067 -7.284 172 HA LYS 24 HA LYS 24 -8.773 -4.648 -5.949 173 1HB LYS 24 2HB LYS 24 -6.943 -5.554 -7.296 174 2HB LYS 24 3HB LYS 24 -5.753 -5.065 -6.075 175 1HG LYS 24 2HG LYS 24 -6.543 -6.651 -4.500 176 2HG LYS 24 3HG LYS 24 -8.108 -6.822 -5.316 177 1HD LYS 24 2HD LYS 24 -7.007 -7.882 -7.260 178 2HD LYS 24 3HD LYS 24 -5.435 -7.767 -6.442 179 1HE LYS 24 2HE LYS 24 -6.246 -9.249 -4.630 180 2HE LYS 24 3HE LYS 24 -7.870 -9.267 -5.330 181 1HZ LYS 24 1HZ LYS 24 -5.470 -10.365 -6.641 182 2HZ LYS 24 2HZ LYS 24 -6.632 -11.239 -5.876 183 3HZ LYS 24 3HZ LYS 24 -7.003 -10.402 -7.238 184 H ILE 25 HN ILE 25 -5.824 -2.955 -4.662 185 HA ILE 25 HA ILE 25 -6.289 -3.673 -1.985 186 HB ILE 25 HB ILE 25 -4.750 -1.489 -3.382 187 1HG1 ILE 25 2HG1 ILE 25 -3.922 -3.789 -3.709 188 2HG1 ILE 25 3HG1 ILE 25 -2.789 -2.684 -2.925 189 1HG2 ILE 25 1HG2 ILE 25 -5.157 -0.398 -1.452 190 2HG2 ILE 25 2HG2 ILE 25 -4.963 -1.862 -0.447 191 3HG2 ILE 25 3HG2 ILE 25 -3.550 -1.116 -1.253 192 1HD1 ILE 25 1HD1 ILE 25 -4.531 -4.765 -1.566 193 2HD1 ILE 25 2HD1 ILE 25 -2.789 -4.864 -1.834 194 3HD1 ILE 25 3HD1 ILE 25 -3.445 -3.624 -0.734 195 H GLY 26 HN GLY 26 -7.639 -1.105 -3.958 196 1HA GLY 26 1HA GLY 26 -8.837 0.534 -2.050 197 2HA GLY 26 2HA GLY 26 -9.471 0.182 -3.663 198 H LYS 27 HN LYS 27 -9.654 -2.893 -2.694 199 HA LYS 27 HA LYS 27 -12.354 -2.544 -1.532 200 1HB LYS 27 2HB LYS 27 -10.887 -4.693 -3.058 201 2HB LYS 27 3HB LYS 27 -12.211 -5.109 -1.986 202 1HG LYS 27 2HG LYS 27 -13.704 -3.530 -3.138 203 2HG LYS 27 3HG LYS 27 -12.388 -3.058 -4.234 204 1HD LYS 27 2HD LYS 27 -12.311 -5.257 -5.221 205 2HD LYS 27 3HD LYS 27 -13.362 -5.935 -3.957 206 1HE LYS 27 2HE LYS 27 -15.246 -4.514 -4.717 207 2HE LYS 27 3HE LYS 27 -14.226 -3.806 -5.981 208 1HZ LYS 27 1HZ LYS 27 -14.977 -6.653 -5.789 209 2HZ LYS 27 2HZ LYS 27 -15.651 -5.550 -6.803 210 3HZ LYS 27 3HZ LYS 27 -14.075 -5.973 -6.989 211 H LEU 28 HN LEU 28 -9.060 -3.027 -0.425 212 HA LEU 28 HA LEU 28 -9.615 -5.007 1.443 213 1HB LEU 28 2HB LEU 28 -7.554 -2.797 1.440 214 2HB LEU 28 3HB LEU 28 -7.594 -4.127 2.581 215 HG LEU 28 HG LEU 28 -6.214 -4.048 0.156 216 1HD1 LEU 28 1HD1 LEU 28 -5.593 -5.168 2.232 217 2HD1 LEU 28 2HD1 LEU 28 -6.931 -6.330 1.994 218 3HD1 LEU 28 3HD1 LEU 28 -5.550 -6.295 0.855 219 1HD2 LEU 28 1HD2 LEU 28 -8.412 -6.157 0.071 220 2HD2 LEU 28 2HD2 LEU 28 -8.201 -4.836 -1.106 221 3HD2 LEU 28 3HD2 LEU 28 -6.992 -6.112 -0.991 222 H GLN 29 HN GLN 29 -10.338 -5.004 3.358 223 HA GLN 29 HA GLN 29 -11.962 -3.009 4.502 224 1HB GLN 29 2HB GLN 29 -12.101 -4.474 6.427 225 2HB GLN 29 3HB GLN 29 -12.223 -5.350 4.899 226 1HG GLN 29 2HG GLN 29 -9.615 -5.670 5.203 227 2HG GLN 29 3HG GLN 29 -9.962 -5.279 6.888 228 1HE2 GLN 29 2HE2 GLN 29 -8.835 -7.685 6.541 229 2HE2 GLN 29 1HE2 GLN 29 -10.023 -8.971 6.622 230 H GLY 30 HN GLY 30 -11.152 -1.019 4.900 231 1HA GLY 30 1HA GLY 30 -10.173 0.155 6.886 232 2HA GLY 30 2HA GLY 30 -8.679 -0.750 6.592 233 H VAL 31 HN VAL 31 -9.220 -0.413 3.489 234 HA VAL 31 HA VAL 31 -7.475 1.901 3.480 235 HB VAL 31 HB VAL 31 -8.399 -0.233 1.543 236 1HG1 VAL 31 1HG1 VAL 31 -8.466 1.694 0.164 237 2HG1 VAL 31 2HG1 VAL 31 -6.896 2.284 0.782 238 3HG1 VAL 31 3HG1 VAL 31 -6.984 0.802 -0.205 239 1HG2 VAL 31 1HG2 VAL 31 -6.500 -0.650 3.140 240 2HG2 VAL 31 2HG2 VAL 31 -6.005 -0.721 1.440 241 3HG2 VAL 31 3HG2 VAL 31 -5.627 0.714 2.409 242 H GLN 32 HN GLN 32 -7.928 3.881 2.925 243 HA GLN 32 HA GLN 32 -10.673 4.642 2.114 244 1HB GLN 32 2HB GLN 32 -8.678 5.750 3.851 245 2HB GLN 32 3HB GLN 32 -9.203 6.963 2.668 246 1HG GLN 32 2HG GLN 32 -11.045 5.295 4.420 247 2HG GLN 32 3HG GLN 32 -10.470 6.917 4.831 248 1HE2 GLN 32 2HE2 GLN 32 -13.125 6.768 4.802 249 2HE2 GLN 32 1HE2 GLN 32 -13.803 7.460 3.342 250 H ARG 33 HN ARG 33 -7.171 5.209 1.224 251 HA ARG 33 HA ARG 33 -8.004 5.298 -1.580 252 1HB ARG 33 2HB ARG 33 -7.824 7.751 -0.217 253 2HB ARG 33 3HB ARG 33 -6.211 7.562 -0.884 254 1HG ARG 33 2HG ARG 33 -7.266 8.672 -2.624 255 2HG ARG 33 3HG ARG 33 -7.483 7.002 -3.145 256 1HD ARG 33 2HD ARG 33 -9.591 8.148 -3.398 257 2HD ARG 33 3HD ARG 33 -9.737 7.021 -2.046 258 HE ARG 33 HE ARG 33 -8.917 9.786 -1.386 259 1HH1 ARG 33 1HH2 ARG 33 -11.596 7.486 -1.433 260 2HH1 ARG 33 2HH2 ARG 33 -12.698 8.528 -0.600 261 1HH2 ARG 33 1HH1 ARG 33 -10.339 11.169 -0.244 262 2HH2 ARG 33 2HH1 ARG 33 -11.953 10.658 0.110 263 H ILE 34 HN ILE 34 -6.055 5.464 -3.029 264 HA ILE 34 HA ILE 34 -3.493 4.798 -1.866 265 HB ILE 34 HB ILE 34 -4.584 2.619 -2.011 266 1HG1 ILE 34 2HG1 ILE 34 -2.620 2.755 -4.305 267 2HG1 ILE 34 3HG1 ILE 34 -2.096 3.111 -2.662 268 1HG2 ILE 34 1HG2 ILE 34 -5.387 1.636 -4.070 269 2HG2 ILE 34 2HG2 ILE 34 -6.228 3.154 -3.849 270 3HG2 ILE 34 3HG2 ILE 34 -4.899 3.049 -5.009 271 1HD1 ILE 34 1HD1 ILE 34 -3.386 0.489 -3.486 272 2HD1 ILE 34 2HD1 ILE 34 -1.655 0.770 -3.226 273 3HD1 ILE 34 3HD1 ILE 34 -2.787 0.933 -1.873 274 H LYS 35 HN LYS 35 -1.809 5.376 -3.180 275 HA LYS 35 HA LYS 35 -2.247 6.157 -6.025 276 1HB LYS 35 2HB LYS 35 -0.678 7.608 -3.825 277 2HB LYS 35 3HB LYS 35 -0.275 7.746 -5.531 278 1HG LYS 35 2HG LYS 35 -1.444 9.652 -4.988 279 2HG LYS 35 3HG LYS 35 -2.518 8.687 -6.011 280 1HD LYS 35 2HD LYS 35 -3.957 8.180 -4.216 281 2HD LYS 35 3HD LYS 35 -2.732 8.545 -2.977 282 1HE LYS 35 2HE LYS 35 -2.860 10.923 -3.415 283 2HE LYS 35 3HE LYS 35 -3.831 10.673 -4.878 284 1HZ LYS 35 1HZ LYS 35 -4.738 10.072 -2.145 285 2HZ LYS 35 2HZ LYS 35 -5.143 11.407 -3.023 286 3HZ LYS 35 3HZ LYS 35 -5.617 9.918 -3.537 287 H VAL 36 HN VAL 36 -0.949 4.625 -7.138 288 HA VAL 36 HA VAL 36 1.593 3.714 -5.793 289 HB VAL 36 HB VAL 36 -0.267 2.271 -7.686 290 1HG1 VAL 36 1HG1 VAL 36 1.288 0.334 -7.408 291 2HG1 VAL 36 2HG1 VAL 36 2.055 1.665 -8.279 292 3HG1 VAL 36 3HG1 VAL 36 2.444 1.398 -6.577 293 1HG2 VAL 36 1HG2 VAL 36 -0.959 1.040 -5.887 294 2HG2 VAL 36 2HG2 VAL 36 0.611 1.109 -5.064 295 3HG2 VAL 36 3HG2 VAL 36 -0.495 2.473 -4.962 296 H SER 37 HN SER 37 3.240 5.076 -6.594 297 HA SER 37 HA SER 37 3.239 5.789 -9.408 298 1HB SER 37 2HB SER 37 4.795 6.466 -6.908 299 2HB SER 37 3HB SER 37 5.399 6.769 -8.505 300 HG SER 37 HG SER 37 4.202 8.569 -7.762 301 H LEU 38 HN LEU 38 3.575 3.873 -10.497 302 HA LEU 38 HA LEU 38 5.825 2.128 -10.094 303 1HB LEU 38 2HB LEU 38 4.007 2.862 -12.366 304 2HB LEU 38 3HB LEU 38 5.622 2.390 -12.852 305 HG LEU 38 HG LEU 38 3.682 0.647 -11.274 306 1HD1 LEU 38 1HD1 LEU 38 3.289 0.930 -13.706 307 2HD1 LEU 38 2HD1 LEU 38 4.960 0.386 -13.993 308 3HD1 LEU 38 3HD1 LEU 38 3.774 -0.724 -13.271 309 1HD2 LEU 38 1HD2 LEU 38 6.630 0.288 -11.965 310 2HD2 LEU 38 2HD2 LEU 38 5.827 -0.019 -10.406 311 3HD2 LEU 38 3HD2 LEU 38 5.535 -1.086 -11.774 312 H ASP 39 HN ASP 39 7.659 2.257 -11.852 313 HA ASP 39 HA ASP 39 9.696 3.023 -12.249 314 1HB ASP 39 2HB ASP 39 8.334 5.735 -12.277 315 2HB ASP 39 3HB ASP 39 10.048 5.494 -12.505 316 H ASN 40 HN ASN 40 8.221 5.382 -10.019 317 HA ASN 40 HA ASN 40 10.593 5.843 -8.694 318 1HB ASN 40 2HB ASN 40 8.367 7.191 -8.654 319 2HB ASN 40 3HB ASN 40 7.927 6.167 -7.291 320 1HD2 ASN 40 2HD2 ASN 40 10.517 6.070 -5.908 321 2HD2 ASN 40 1HD2 ASN 40 10.824 7.717 -5.385 322 H GLN 41 HN GLN 41 8.268 3.342 -8.383 323 HA GLN 41 HA GLN 41 8.033 1.426 -7.217 324 1HB GLN 41 2HB GLN 41 10.729 1.854 -5.865 325 2HB GLN 41 3HB GLN 41 9.851 0.344 -6.176 326 1HG GLN 41 2HG GLN 41 9.976 1.011 -8.647 327 2HG GLN 41 3HG GLN 41 11.149 2.229 -8.120 328 1HE2 GLN 41 2HE2 GLN 41 12.001 0.315 -9.954 329 2HE2 GLN 41 1HE2 GLN 41 13.133 -0.774 -9.166 330 H GLU 42 HN GLU 42 7.396 4.035 -6.244 331 HA GLU 42 HA GLU 42 7.111 3.442 -3.318 332 1HB GLU 42 2HB GLU 42 8.637 5.500 -4.149 333 2HB GLU 42 3HB GLU 42 7.071 6.324 -4.158 334 1HG GLU 42 2HG GLU 42 6.676 5.571 -1.830 335 2HG GLU 42 3HG GLU 42 8.213 4.699 -1.822 336 H ALA 43 HN ALA 43 5.124 3.529 -2.414 337 HA ALA 43 HA ALA 43 2.879 4.653 -4.032 338 1HB ALA 43 1HB ALA 43 2.841 2.288 -4.505 339 2HB ALA 43 2HB ALA 43 2.907 1.885 -2.798 340 3HB ALA 43 3HB ALA 43 1.481 2.717 -3.436 341 H THR 44 HN THR 44 1.068 5.275 -2.708 342 HA THR 44 HA THR 44 1.719 5.804 0.117 343 HB THR 44 HB THR 44 1.005 7.711 -2.134 344 HG1 THR 44 1HG THR 44 2.855 7.656 0.007 345 1HG2 THR 44 1HG2 THR 44 0.525 8.101 0.833 346 2HG2 THR 44 2HG2 THR 44 0.626 9.438 -0.339 347 3HG2 THR 44 3HG2 THR 44 -0.670 8.237 -0.477 348 H ILE 45 HN ILE 45 0.076 5.039 1.341 349 HA ILE 45 HA ILE 45 -2.591 4.675 0.074 350 HB ILE 45 HB ILE 45 -1.507 2.812 2.199 351 1HG1 ILE 45 2HG1 ILE 45 -1.154 1.340 -0.050 352 2HG1 ILE 45 3HG1 ILE 45 -0.721 2.891 -0.702 353 1HG2 ILE 45 1HG2 ILE 45 -3.113 1.248 1.172 354 2HG2 ILE 45 2HG2 ILE 45 -3.923 2.719 1.708 355 3HG2 ILE 45 3HG2 ILE 45 -3.562 2.481 -0.013 356 1HD1 ILE 45 1HD1 ILE 45 0.487 1.358 1.624 357 2HD1 ILE 45 2HD1 ILE 45 1.270 1.956 0.154 358 3HD1 ILE 45 3HD1 ILE 45 0.830 3.090 1.431 359 H VAL 46 HN VAL 46 -4.398 4.819 1.636 360 HA VAL 46 HA VAL 46 -3.660 6.107 4.188 361 HB VAL 46 HB VAL 46 -4.196 7.819 2.595 362 1HG1 VAL 46 1HG1 VAL 46 -6.460 8.236 1.963 363 2HG1 VAL 46 2HG1 VAL 46 -5.787 6.704 1.347 364 3HG1 VAL 46 3HG1 VAL 46 -6.924 6.692 2.729 365 1HG2 VAL 46 1HG2 VAL 46 -4.431 8.210 5.027 366 2HG2 VAL 46 2HG2 VAL 46 -5.716 9.046 4.149 367 3HG2 VAL 46 3HG2 VAL 46 -6.070 7.521 4.987 368 H TYR 47 HN TYR 47 -4.380 4.939 5.850 369 HA TYR 47 HA TYR 47 -6.970 3.656 5.839 370 1HB TYR 47 2HB TYR 47 -6.233 1.355 6.045 371 2HB TYR 47 3HB TYR 47 -5.608 2.007 4.538 372 HD1 TYR 47 1HD TYR 47 -3.392 1.538 3.967 373 HD2 TYR 47 2HD TYR 47 -4.603 1.217 8.083 374 HE1 TYR 47 1HE TYR 47 -1.286 0.390 4.583 375 HE2 TYR 47 2HE TYR 47 -2.299 0.789 8.743 376 HH TYR 47 HH TYR 47 -0.247 -0.848 6.636 377 H GLN 48 HN GLN 48 -7.005 2.188 8.091 378 HA GLN 48 HA GLN 48 -5.181 3.389 10.047 379 1HB GLN 48 2HB GLN 48 -7.349 3.141 11.540 380 2HB GLN 48 3HB GLN 48 -6.980 4.635 10.636 381 1HG GLN 48 2HG GLN 48 -8.453 4.007 8.879 382 2HG GLN 48 3HG GLN 48 -8.717 2.396 9.595 383 1HE2 GLN 48 2HE2 GLN 48 -10.894 4.132 8.902 384 2HE2 GLN 48 1HE2 GLN 48 -11.637 4.675 10.395 385 HA PRO 49 HA PRO 49 -4.596 -0.718 11.576 386 1HB PRO 49 2HB PRO 49 -3.591 -0.191 14.061 387 2HB PRO 49 3HB PRO 49 -2.678 0.145 12.579 388 1HG PRO 49 2HG PRO 49 -4.342 2.097 14.181 389 2HG PRO 49 3HG PRO 49 -2.663 2.305 13.600 390 1HD PRO 49 2HD PRO 49 -4.780 3.322 12.252 391 2HD PRO 49 3HD PRO 49 -3.384 2.627 11.369 392 H HIS 50 HN HIS 50 -7.000 -0.753 11.403 393 HA HIS 50 HA HIS 50 -8.076 -1.642 14.007 394 1HB HIS 50 2HB HIS 50 -9.125 0.725 12.509 395 2HB HIS 50 3HB HIS 50 -10.335 -0.505 12.881 396 HD1 HIS 50 1HD HIS 50 -7.485 0.708 15.207 397 HD2 HIS 50 2HD HIS 50 -11.659 0.249 14.926 398 HE1 HIS 50 1HE HIS 50 -8.455 1.341 17.494 399 H LEU 51 HN LEU 51 -9.012 -1.132 10.558 400 HA LEU 51 HA LEU 51 -10.276 -3.769 10.506 401 1HB LEU 51 2HB LEU 51 -9.815 -1.702 8.341 402 2HB LEU 51 3HB LEU 51 -10.702 -3.222 8.174 403 HG LEU 51 HG LEU 51 -12.155 -2.322 10.166 404 1HD1 LEU 51 1HD1 LEU 51 -11.185 0.308 8.939 405 2HD1 LEU 51 2HD1 LEU 51 -12.518 0.116 10.087 406 3HD1 LEU 51 3HD1 LEU 51 -10.866 -0.207 10.602 407 1HD2 LEU 51 1HD2 LEU 51 -13.698 -1.306 8.536 408 2HD2 LEU 51 2HD2 LEU 51 -12.390 -1.248 7.337 409 3HD2 LEU 51 3HD2 LEU 51 -12.994 -2.812 7.929 410 H ILE 52 HN ILE 52 -7.064 -2.388 9.666 411 HA ILE 52 HA ILE 52 -6.319 -4.955 8.420 412 HB ILE 52 HB ILE 52 -6.661 -2.985 6.915 413 1HG1 ILE 52 2HG1 ILE 52 -4.542 -3.311 5.723 414 2HG1 ILE 52 3HG1 ILE 52 -3.879 -4.243 7.060 415 1HG2 ILE 52 1HG2 ILE 52 -5.019 -1.258 6.855 416 2HG2 ILE 52 2HG2 ILE 52 -5.777 -1.309 8.461 417 3HG2 ILE 52 3HG2 ILE 52 -4.145 -1.976 8.229 418 1HD1 ILE 52 1HD1 ILE 52 -6.514 -4.908 5.681 419 2HD1 ILE 52 2HD1 ILE 52 -4.952 -5.495 5.062 420 3HD1 ILE 52 3HD1 ILE 52 -5.508 -5.978 6.685 421 H SER 53 HN SER 53 -4.388 -5.894 9.083 422 HA SER 53 HA SER 53 -3.444 -5.058 11.647 423 1HB SER 53 2HB SER 53 -2.434 -7.115 9.782 424 2HB SER 53 3HB SER 53 -1.891 -6.964 11.455 425 HG SER 53 HG SER 53 -4.355 -7.798 10.410 426 H VAL 54 HN VAL 54 -2.898 -3.237 9.369 427 HA VAL 54 HA VAL 54 -1.500 -1.614 8.819 428 HB VAL 54 HB VAL 54 -0.655 -2.271 11.459 429 1HG1 VAL 54 1HG1 VAL 54 1.683 -1.569 9.646 430 2HG1 VAL 54 2HG1 VAL 54 1.671 -1.372 11.408 431 3HG1 VAL 54 3HG1 VAL 54 1.548 -2.988 10.723 432 1HG2 VAL 54 1HG2 VAL 54 -1.675 -0.196 10.664 433 2HG2 VAL 54 2HG2 VAL 54 -0.169 0.110 11.553 434 3HG2 VAL 54 3HG2 VAL 54 -0.187 0.205 9.780 435 H GLU 55 HN GLU 55 0.465 -4.446 9.546 436 HA GLU 55 HA GLU 55 2.238 -4.071 7.319 437 1HB GLU 55 2HB GLU 55 2.723 -5.220 9.528 438 2HB GLU 55 3HB GLU 55 1.728 -6.535 8.898 439 1HG GLU 55 2HG GLU 55 3.570 -7.336 7.891 440 2HG GLU 55 3HG GLU 55 3.539 -5.940 6.787 441 H GLU 56 HN GLU 56 -0.652 -6.064 8.033 442 HA GLU 56 HA GLU 56 -0.775 -7.924 6.045 443 1HB GLU 56 2HB GLU 56 -2.795 -6.282 7.497 444 2HB GLU 56 3HB GLU 56 -3.343 -6.896 5.943 445 1HG GLU 56 2HG GLU 56 -2.845 -9.176 6.532 446 2HG GLU 56 3HG GLU 56 -2.319 -8.680 8.149 447 H MET 57 HN MET 57 -2.149 -4.629 5.657 448 HA MET 57 HA MET 57 -2.933 -4.519 3.148 449 1HB MET 57 2HB MET 57 -2.427 -2.733 5.200 450 2HB MET 57 3HB MET 57 -1.220 -2.217 4.059 451 1HG MET 57 2HG MET 57 -4.196 -2.657 3.498 452 2HG MET 57 3HG MET 57 -3.449 -1.150 3.940 453 1HE MET 57 1HE MET 57 -1.126 -0.760 0.602 454 2HE MET 57 2HE MET 57 -1.427 -0.059 2.218 455 3HE MET 57 3HE MET 57 -0.621 -1.637 2.038 456 H LYS 58 HN LYS 58 0.480 -3.981 4.096 457 HA LYS 58 HA LYS 58 1.395 -3.790 1.324 458 1HB LYS 58 2HB LYS 58 2.460 -2.438 2.916 459 2HB LYS 58 3HB LYS 58 2.737 -3.745 4.054 460 1HG LYS 58 2HG LYS 58 3.909 -4.080 1.307 461 2HG LYS 58 3HG LYS 58 4.602 -2.797 2.276 462 1HD LYS 58 2HD LYS 58 5.677 -4.201 3.680 463 2HD LYS 58 3HD LYS 58 4.293 -5.273 3.866 464 1HE LYS 58 2HE LYS 58 4.836 -6.597 2.073 465 2HE LYS 58 3HE LYS 58 5.706 -5.345 1.218 466 1HZ LYS 58 1HZ LYS 58 6.933 -6.220 3.706 467 2HZ LYS 58 2HZ LYS 58 6.939 -7.255 2.442 468 3HZ LYS 58 3HZ LYS 58 7.618 -5.843 2.228 469 H LYS 59 HN LYS 59 1.373 -6.299 3.867 470 HA LYS 59 HA LYS 59 3.017 -8.124 2.376 471 1HB LYS 59 2HB LYS 59 0.925 -8.627 4.532 472 2HB LYS 59 3HB LYS 59 2.014 -9.857 3.892 473 1HG LYS 59 2HG LYS 59 2.845 -7.318 5.338 474 2HG LYS 59 3HG LYS 59 2.852 -8.951 5.996 475 1HD LYS 59 2HD LYS 59 4.322 -9.277 3.706 476 2HD LYS 59 3HD LYS 59 4.769 -7.609 4.091 477 1HE LYS 59 2HE LYS 59 5.803 -8.293 6.149 478 2HE LYS 59 3HE LYS 59 4.906 -9.818 6.200 479 1HZ LYS 59 1HZ LYS 59 7.036 -9.225 4.251 480 2HZ LYS 59 2HZ LYS 59 7.126 -10.294 5.522 481 3HZ LYS 59 3HZ LYS 59 6.136 -10.510 4.191 482 H GLN 60 HN GLN 60 -0.374 -7.261 1.977 483 HA GLN 60 HA GLN 60 -1.166 -9.595 0.515 484 1HB GLN 60 2HB GLN 60 -2.084 -6.731 0.190 485 2HB GLN 60 3HB GLN 60 -2.913 -8.181 -0.341 486 1HG GLN 60 2HG GLN 60 -2.261 -8.433 2.471 487 2HG GLN 60 3HG GLN 60 -2.984 -6.844 2.202 488 1HE2 GLN 60 2HE2 GLN 60 -4.318 -8.462 3.929 489 2HE2 GLN 60 1HE2 GLN 60 -5.715 -9.170 3.161 490 H ILE 61 HN ILE 61 0.486 -6.601 -0.223 491 HA ILE 61 HA ILE 61 0.718 -7.077 -3.074 492 HB ILE 61 HB ILE 61 2.195 -5.176 -1.306 493 1HG1 ILE 61 2HG1 ILE 61 0.972 -3.664 -3.159 494 2HG1 ILE 61 3HG1 ILE 61 -0.110 -5.040 -3.302 495 1HG2 ILE 61 1HG2 ILE 61 3.673 -5.902 -3.239 496 2HG2 ILE 61 2HG2 ILE 61 2.342 -5.493 -4.337 497 3HG2 ILE 61 3HG2 ILE 61 3.127 -4.225 -3.368 498 1HD1 ILE 61 1HD1 ILE 61 0.575 -3.565 -0.736 499 2HD1 ILE 61 2HD1 ILE 61 -0.870 -3.282 -1.710 500 3HD1 ILE 61 3HD1 ILE 61 -0.638 -4.856 -0.917 501 H GLU 62 HN GLU 62 2.902 -7.970 -0.313 502 HA GLU 62 HA GLU 62 5.030 -9.085 -1.856 503 1HB GLU 62 2HB GLU 62 3.885 -9.763 0.867 504 2HB GLU 62 3HB GLU 62 4.950 -10.900 0.066 505 1HG GLU 62 2HG GLU 62 6.706 -9.273 -0.139 506 2HG GLU 62 3HG GLU 62 5.699 -8.033 0.605 507 H ALA 63 HN ALA 63 1.970 -10.421 -0.626 508 HA ALA 63 HA ALA 63 2.142 -13.011 -1.632 509 1HB ALA 63 1HB ALA 63 -0.170 -13.199 -1.040 510 2HB ALA 63 2HB ALA 63 0.592 -12.079 0.122 511 3HB ALA 63 3HB ALA 63 -0.420 -11.451 -1.187 512 H MET 64 HN MET 64 1.439 -10.109 -3.522 513 HA MET 64 HA MET 64 0.029 -11.452 -5.665 514 1HB MET 64 2HB MET 64 1.771 -8.954 -5.747 515 2HB MET 64 3HB MET 64 0.660 -9.494 -7.006 516 1HG MET 64 2HG MET 64 -0.180 -8.800 -4.190 517 2HG MET 64 3HG MET 64 -0.252 -7.669 -5.527 518 1HE MET 64 1HE MET 64 -2.666 -7.512 -4.153 519 2HE MET 64 2HE MET 64 -3.920 -8.768 -4.299 520 3HE MET 64 3HE MET 64 -2.488 -9.064 -3.298 521 H GLY 65 HN GLY 65 3.370 -11.301 -4.616 522 1HA GLY 65 1HA GLY 65 4.664 -13.261 -5.466 523 2HA GLY 65 2HA GLY 65 4.296 -12.712 -7.107 524 H PHE 66 HN PHE 66 4.496 -9.828 -6.078 525 HA PHE 66 HA PHE 66 7.342 -9.539 -6.761 526 1HB PHE 66 2HB PHE 66 5.101 -7.557 -6.368 527 2HB PHE 66 3HB PHE 66 6.762 -7.119 -6.743 528 HD1 PHE 66 1HD PHE 66 3.689 -8.707 -8.091 529 HD2 PHE 66 2HD PHE 66 7.810 -7.731 -8.884 530 HE1 PHE 66 1HE PHE 66 3.323 -9.131 -10.484 531 HE2 PHE 66 2HE PHE 66 7.494 -8.315 -11.242 532 HZ PHE 66 HZ PHE 66 5.226 -8.943 -12.098 533 HA PRO 67 HA PRO 67 7.917 -9.126 -2.212 534 1HB PRO 67 2HB PRO 67 10.547 -8.334 -2.149 535 2HB PRO 67 3HB PRO 67 10.041 -10.024 -2.452 536 1HG PRO 67 2HG PRO 67 10.768 -7.915 -4.500 537 2HG PRO 67 3HG PRO 67 11.360 -9.600 -4.410 538 1HD PRO 67 2HD PRO 67 9.323 -8.861 -6.044 539 2HD PRO 67 3HD PRO 67 9.279 -10.450 -5.217 540 H ALA 68 HN ALA 68 7.275 -7.304 -1.053 541 HA ALA 68 HA ALA 68 7.958 -4.592 -2.138 542 1HB ALA 68 1HB ALA 68 5.679 -5.056 -2.680 543 2HB ALA 68 2HB ALA 68 5.319 -5.671 -1.055 544 3HB ALA 68 3HB ALA 68 5.655 -3.944 -1.307 545 H PHE 69 HN PHE 69 7.170 -3.026 -0.121 546 HA PHE 69 HA PHE 69 8.158 -4.015 2.422 547 1HB PHE 69 2HB PHE 69 10.034 -2.779 0.560 548 2HB PHE 69 3HB PHE 69 9.825 -1.754 1.975 549 HD1 PHE 69 1HD PHE 69 10.159 -2.710 4.311 550 HD2 PHE 69 2HD PHE 69 11.283 -4.835 0.714 551 HE1 PHE 69 1HE PHE 69 11.285 -4.432 5.675 552 HE2 PHE 69 2HE PHE 69 12.547 -6.460 2.085 553 HZ PHE 69 HZ PHE 69 12.563 -6.263 4.567 554 H VAL 70 HN VAL 70 7.924 -2.586 4.163 555 HA VAL 70 HA VAL 70 6.097 -0.324 3.642 556 HB VAL 70 HB VAL 70 4.870 -2.270 4.459 557 1HG1 VAL 70 1HG1 VAL 70 6.364 -1.689 7.002 558 2HG1 VAL 70 2HG1 VAL 70 5.114 -2.939 6.752 559 3HG1 VAL 70 3HG1 VAL 70 6.696 -3.072 5.933 560 1HG2 VAL 70 1HG2 VAL 70 4.063 -0.019 4.688 561 2HG2 VAL 70 2HG2 VAL 70 3.572 -1.035 6.054 562 3HG2 VAL 70 3HG2 VAL 70 4.881 0.157 6.262 563 H LYS 71 HN LYS 71 6.792 1.528 4.483 564 HA LYS 71 HA LYS 71 9.384 1.636 5.833 565 1HB LYS 71 2HB LYS 71 7.419 3.795 5.005 566 2HB LYS 71 3HB LYS 71 8.952 4.109 5.830 567 1HG LYS 71 2HG LYS 71 10.230 3.086 4.072 568 2HG LYS 71 3HG LYS 71 8.777 2.557 3.208 569 1HD LYS 71 2HD LYS 71 8.271 4.647 2.413 570 2HD LYS 71 3HD LYS 71 8.971 5.485 3.811 571 1HE LYS 71 2HE LYS 71 11.251 5.013 3.034 572 2HE LYS 71 3HE LYS 71 10.633 4.094 1.647 573 1HZ LYS 71 1HZ LYS 71 10.129 6.970 2.088 574 2HZ LYS 71 2HZ LYS 71 11.291 6.365 1.103 575 3HZ LYS 71 3HZ LYS 71 9.734 6.118 0.742 576 H LYS 72 HN LYS 72 6.484 3.504 6.920 577 HA LYS 72 HA LYS 72 6.289 2.029 9.358 578 1HB LYS 72 2HB LYS 72 8.156 4.224 9.390 579 2HB LYS 72 3HB LYS 72 6.694 4.809 10.184 580 1HG LYS 72 2HG LYS 72 6.800 2.522 11.503 581 2HG LYS 72 3HG LYS 72 8.448 2.443 10.886 582 1HD LYS 72 2HD LYS 72 8.882 3.534 12.866 583 2HD LYS 72 3HD LYS 72 8.512 4.972 11.892 584 1HE LYS 72 2HE LYS 72 6.111 4.835 12.672 585 2HE LYS 72 3HE LYS 72 6.504 3.386 13.606 586 1HZ LYS 72 1HZ LYS 72 7.535 6.079 14.152 587 2HZ LYS 72 2HZ LYS 72 6.360 5.228 14.932 588 3HZ LYS 72 3HZ LYS 72 7.919 4.703 14.998 589 H ILE 73 HN ILE 73 4.307 2.562 10.465 590 HA ILE 73 HA ILE 73 2.625 4.678 9.448 591 HB ILE 73 HB ILE 73 2.221 3.297 7.689 592 1HG1 ILE 73 2HG1 ILE 73 -0.060 2.504 7.895 593 2HG1 ILE 73 3HG1 ILE 73 -0.018 2.684 9.651 594 1HG2 ILE 73 1HG2 ILE 73 1.706 0.873 7.895 595 2HG2 ILE 73 2HG2 ILE 73 3.323 1.283 8.443 596 3HG2 ILE 73 3HG2 ILE 73 2.046 0.985 9.635 597 1HD1 ILE 73 1HD1 ILE 73 0.554 5.010 7.752 598 2HD1 ILE 73 2HD1 ILE 73 -1.087 4.558 8.226 599 3HD1 ILE 73 3HD1 ILE 73 0.073 5.088 9.457 600 H GLU 74 HN GLU 74 1.441 5.398 11.145 601 HA GLU 74 HA GLU 74 0.139 3.638 13.021 602 1HB GLU 74 2HB GLU 74 2.139 5.863 13.856 603 2HB GLU 74 3HB GLU 74 1.017 5.108 14.984 604 1HG GLU 74 2HG GLU 74 2.224 3.018 14.900 605 2HG GLU 74 3HG GLU 74 3.284 3.606 13.609 606 H GLY 75 HN GLY 75 -1.435 5.003 14.291 607 1HA GLY 75 1HA GLY 75 -1.855 7.716 13.517 608 2HA GLY 75 2HA GLY 75 -3.019 6.622 12.711 609 H ARG 76 HN ARG 76 -3.971 8.468 14.425 610 HA ARG 76 HA ARG 76 -4.098 7.632 17.146 611 1HB ARG 76 2HB ARG 76 -4.492 9.977 16.109 612 2HB ARG 76 3HB ARG 76 -6.122 9.391 15.710 613 1HG ARG 76 2HG ARG 76 -6.442 8.824 18.141 614 2HG ARG 76 3HG ARG 76 -4.832 9.482 18.471 615 1HD ARG 76 2HD ARG 76 -5.631 11.739 17.669 616 2HD ARG 76 3HD ARG 76 -7.183 11.012 17.263 617 HE ARG 76 HE ARG 76 -7.857 11.066 19.419 618 1HH1 ARG 76 1HH2 ARG 76 -4.369 11.495 19.370 619 2HH1 ARG 76 2HH2 ARG 76 -4.179 11.648 21.090 620 1HH2 ARG 76 1HH1 ARG 76 -7.662 11.181 21.721 621 2HH2 ARG 76 2HH1 ARG 76 -6.120 11.461 22.460 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -4.692 7.624 13.616 2 2H GLY 1 2H GLY 1 -5.306 6.861 14.954 3 3H GLY 1 3H GLY 1 -4.684 6.012 13.699 4 1HA GLY 1 1HA GLY 1 -7.141 5.989 13.707 5 2HA GLY 1 2HA GLY 1 -7.064 7.748 13.443 6 H GLU 2 HN GLU 2 -7.828 7.806 11.229 7 HA GLU 2 HA GLU 2 -6.652 6.129 9.193 8 1HB GLU 2 2HB GLU 2 -7.741 7.598 7.627 9 2HB GLU 2 3HB GLU 2 -8.830 7.104 8.910 10 1HG GLU 2 2HG GLU 2 -9.391 9.327 8.713 11 2HG GLU 2 3HG GLU 2 -8.225 9.426 10.032 12 H VAL 3 HN VAL 3 -4.587 6.309 8.424 13 HA VAL 3 HA VAL 3 -3.141 8.883 8.620 14 HB VAL 3 HB VAL 3 -2.332 6.295 9.990 15 1HG1 VAL 3 1HG1 VAL 3 -0.639 8.759 9.415 16 2HG1 VAL 3 2HG1 VAL 3 -0.219 7.545 10.628 17 3HG1 VAL 3 3HG1 VAL 3 -0.312 7.069 8.938 18 1HG2 VAL 3 1HG2 VAL 3 -3.708 7.682 11.442 19 2HG2 VAL 3 2HG2 VAL 3 -2.051 7.876 11.988 20 3HG2 VAL 3 3HG2 VAL 3 -2.794 9.142 11.005 21 H VAL 4 HN VAL 4 -1.357 9.010 7.242 22 HA VAL 4 HA VAL 4 -1.626 7.443 4.840 23 HB VAL 4 HB VAL 4 -0.050 9.913 5.668 24 1HG1 VAL 4 1HG1 VAL 4 0.388 10.176 3.225 25 2HG1 VAL 4 2HG1 VAL 4 1.230 8.801 3.954 26 3HG1 VAL 4 3HG1 VAL 4 -0.239 8.524 2.981 27 1HG2 VAL 4 1HG2 VAL 4 -2.520 10.224 5.460 28 2HG2 VAL 4 2HG2 VAL 4 -1.645 11.072 4.178 29 3HG2 VAL 4 3HG2 VAL 4 -2.458 9.535 3.826 30 H LEU 5 HN LEU 5 -0.163 5.967 4.126 31 HA LEU 5 HA LEU 5 2.320 5.405 5.709 32 1HB LEU 5 2HB LEU 5 0.335 3.878 6.004 33 2HB LEU 5 3HB LEU 5 0.557 3.352 4.332 34 HG LEU 5 HG LEU 5 2.792 3.381 6.409 35 1HD1 LEU 5 1HD1 LEU 5 0.958 2.093 7.253 36 2HD1 LEU 5 2HD1 LEU 5 0.889 1.181 5.708 37 3HD1 LEU 5 3HD1 LEU 5 2.290 0.999 6.806 38 1HD2 LEU 5 1HD2 LEU 5 2.674 2.549 3.617 39 2HD2 LEU 5 2HD2 LEU 5 4.068 2.635 4.718 40 3HD2 LEU 5 3HD2 LEU 5 3.093 1.174 4.644 41 H LYS 6 HN LYS 6 4.084 4.750 4.415 42 HA LYS 6 HA LYS 6 3.929 5.271 1.504 43 1HB LYS 6 2HB LYS 6 5.572 6.489 3.518 44 2HB LYS 6 3HB LYS 6 6.614 5.367 2.657 45 1HG LYS 6 2HG LYS 6 6.921 7.095 1.287 46 2HG LYS 6 3HG LYS 6 5.451 6.460 0.540 47 1HD LYS 6 2HD LYS 6 4.062 8.111 1.647 48 2HD LYS 6 3HD LYS 6 5.413 8.642 2.665 49 1HE LYS 6 2HE LYS 6 5.015 10.217 0.782 50 2HE LYS 6 3HE LYS 6 6.644 9.520 0.771 51 1HZ LYS 6 1HZ LYS 6 4.403 8.583 -0.900 52 2HZ LYS 6 2HZ LYS 6 5.677 9.500 -1.429 53 3HZ LYS 6 3HZ LYS 6 5.906 7.962 -0.933 54 H MET 7 HN MET 7 4.151 3.411 0.331 55 HA MET 7 HA MET 7 5.445 1.031 1.624 56 1HB MET 7 2HB MET 7 3.201 1.032 -0.428 57 2HB MET 7 3HB MET 7 4.042 -0.382 0.225 58 1HG MET 7 2HG MET 7 3.290 0.330 2.524 59 2HG MET 7 3HG MET 7 2.337 1.608 1.720 60 1HE MET 7 1HE MET 7 0.369 1.075 3.000 61 2HE MET 7 2HE MET 7 -0.574 -0.413 2.896 62 3HE MET 7 3HE MET 7 0.945 -0.394 3.833 63 H LYS 8 HN LYS 8 7.074 0.133 0.587 64 HA LYS 8 HA LYS 8 7.983 1.201 -1.995 65 1HB LYS 8 2HB LYS 8 9.206 -0.290 0.274 66 2HB LYS 8 3HB LYS 8 9.591 -1.005 -1.284 67 1HG LYS 8 2HG LYS 8 10.133 1.872 -0.471 68 2HG LYS 8 3HG LYS 8 11.314 0.550 -0.681 69 1HD LYS 8 2HD LYS 8 10.114 0.430 -3.091 70 2HD LYS 8 3HD LYS 8 9.779 2.133 -2.714 71 1HE LYS 8 2HE LYS 8 12.088 2.689 -2.671 72 2HE LYS 8 3HE LYS 8 12.592 0.981 -2.687 73 1HZ LYS 8 1HZ LYS 8 10.961 2.023 -4.871 74 2HZ LYS 8 2HZ LYS 8 12.618 2.217 -4.891 75 3HZ LYS 8 3HZ LYS 8 11.988 0.719 -4.824 76 H VAL 9 HN VAL 9 7.184 0.339 -3.793 77 HA VAL 9 HA VAL 9 6.128 -2.464 -3.806 78 HB VAL 9 HB VAL 9 5.238 -0.038 -5.426 79 1HG1 VAL 9 1HG1 VAL 9 4.216 -2.913 -5.341 80 2HG1 VAL 9 2HG1 VAL 9 3.407 -1.566 -6.169 81 3HG1 VAL 9 3HG1 VAL 9 4.995 -2.101 -6.718 82 1HG2 VAL 9 1HG2 VAL 9 3.104 -0.327 -4.152 83 2HG2 VAL 9 2HG2 VAL 9 3.907 -1.534 -3.124 84 3HG2 VAL 9 3HG2 VAL 9 4.455 0.155 -3.117 85 H GLU 10 HN GLU 10 8.247 -3.257 -4.251 86 HA GLU 10 HA GLU 10 9.553 -2.320 -6.748 87 1HB GLU 10 2HB GLU 10 10.721 -4.202 -4.671 88 2HB GLU 10 3HB GLU 10 11.542 -3.232 -5.904 89 1HG GLU 10 2HG GLU 10 10.290 -1.230 -4.613 90 2HG GLU 10 3HG GLU 10 10.370 -2.384 -3.263 91 H GLY 11 HN GLY 11 10.829 -4.468 -7.691 92 1HA GLY 11 1HA GLY 11 10.673 -6.574 -8.611 93 2HA GLY 11 2HA GLY 11 9.208 -6.879 -7.674 94 H MET 12 HN MET 12 7.576 -4.732 -8.661 95 HA MET 12 HA MET 12 6.450 -5.721 -11.019 96 1HB MET 12 2HB MET 12 6.503 -2.928 -9.823 97 2HB MET 12 3HB MET 12 5.714 -3.256 -11.373 98 1HG MET 12 2HG MET 12 4.040 -3.338 -9.747 99 2HG MET 12 3HG MET 12 4.304 -4.996 -10.297 100 1HE MET 12 1HE MET 12 2.613 -3.931 -7.739 101 2HE MET 12 2HE MET 12 2.680 -5.609 -8.327 102 3HE MET 12 3HE MET 12 3.009 -5.252 -6.613 103 H THR 13 HN THR 13 6.982 -5.716 -13.099 104 HA THR 13 HA THR 13 9.457 -5.364 -14.072 105 HB THR 13 HB THR 13 7.871 -6.622 -15.229 106 HG1 THR 13 1HG THR 13 8.303 -5.880 -17.343 107 1HG2 THR 13 1HG2 THR 13 6.493 -4.098 -16.186 108 2HG2 THR 13 2HG2 THR 13 6.035 -5.779 -16.494 109 3HG2 THR 13 3HG2 THR 13 5.879 -5.118 -14.859 110 H CYS 14 HN CYS 14 6.945 -2.905 -14.623 111 HA CYS 14 HA CYS 14 8.109 -0.655 -13.767 112 1HB CYS 14 2HB CYS 14 9.565 -1.388 -16.228 113 2HB CYS 14 3HB CYS 14 8.654 0.086 -16.477 114 HG CYS 14 HG CYS 14 11.105 0.624 -15.776 115 H HIS 15 HN HIS 15 6.426 0.731 -13.765 116 HA HIS 15 HA HIS 15 4.219 1.341 -14.021 117 1HB HIS 15 2HB HIS 15 4.040 2.810 -15.988 118 2HB HIS 15 3HB HIS 15 5.534 3.005 -15.084 119 HD1 HIS 15 1HD HIS 15 7.790 2.539 -16.361 120 HD2 HIS 15 2HD HIS 15 4.279 1.655 -18.510 121 HE1 HIS 15 1HE HIS 15 8.492 2.100 -18.779 122 H SER 16 HN SER 16 4.090 -1.380 -14.343 123 HA SER 16 HA SER 16 1.765 -1.582 -16.175 124 1HB SER 16 2HB SER 16 3.967 -2.252 -17.359 125 2HB SER 16 3HB SER 16 3.977 -3.658 -16.274 126 HG SER 16 HG SER 16 2.914 -4.069 -18.275 127 H CYS 17 HN CYS 17 1.858 -1.295 -13.418 128 HA CYS 17 HA CYS 17 0.043 -3.221 -12.642 129 1HB CYS 17 2HB CYS 17 2.687 -4.327 -12.280 130 2HB CYS 17 3HB CYS 17 2.049 -3.965 -10.679 131 HG CYS 17 HG CYS 17 1.551 -6.387 -11.151 132 H THR 18 HN THR 18 -0.554 -0.890 -12.497 133 HA THR 18 HA THR 18 -0.141 0.120 -9.700 134 HB THR 18 HB THR 18 -0.791 2.341 -10.800 135 HG1 THR 18 1HG THR 18 -0.649 2.431 -13.037 136 1HG2 THR 18 1HG2 THR 18 1.770 1.073 -11.880 137 2HG2 THR 18 2HG2 THR 18 1.439 2.812 -11.699 138 3HG2 THR 18 3HG2 THR 18 1.571 1.781 -10.264 139 H SER 19 HN SER 19 -2.478 0.901 -12.289 140 HA SER 19 HA SER 19 -4.498 1.165 -10.543 141 1HB SER 19 2HB SER 19 -5.120 0.179 -13.351 142 2HB SER 19 3HB SER 19 -5.881 1.509 -12.450 143 HG SER 19 HG SER 19 -4.480 2.392 -13.987 144 H THR 20 HN THR 20 -3.788 -1.870 -12.098 145 HA THR 20 HA THR 20 -5.856 -3.399 -11.051 146 HB THR 20 HB THR 20 -2.856 -4.005 -11.317 147 HG1 THR 20 1HG THR 20 -3.603 -4.876 -13.322 148 1HG2 THR 20 1HG2 THR 20 -5.296 -5.772 -11.004 149 2HG2 THR 20 2HG2 THR 20 -3.683 -6.373 -11.503 150 3HG2 THR 20 3HG2 THR 20 -3.906 -5.640 -9.900 151 H ILE 21 HN ILE 21 -2.731 -2.592 -9.426 152 HA ILE 21 HA ILE 21 -3.388 -3.914 -6.974 153 HB ILE 21 HB ILE 21 -1.282 -1.976 -7.972 154 1HG1 ILE 21 2HG1 ILE 21 0.163 -3.793 -6.884 155 2HG1 ILE 21 3HG1 ILE 21 -1.297 -4.781 -6.757 156 1HG2 ILE 21 1HG2 ILE 21 -0.209 -1.790 -5.940 157 2HG2 ILE 21 2HG2 ILE 21 -1.820 -1.099 -5.748 158 3HG2 ILE 21 3HG2 ILE 21 -1.473 -2.715 -5.069 159 1HD1 ILE 21 1HD1 ILE 21 -0.120 -3.531 -9.254 160 2HD1 ILE 21 2HD1 ILE 21 0.097 -5.227 -8.770 161 3HD1 ILE 21 3HD1 ILE 21 -1.514 -4.644 -9.241 162 H GLU 22 HN GLU 22 -3.682 -0.508 -8.133 163 HA GLU 22 HA GLU 22 -4.384 0.575 -5.627 164 1HB GLU 22 2HB GLU 22 -4.965 1.497 -8.470 165 2HB GLU 22 3HB GLU 22 -5.239 2.502 -7.059 166 1HG GLU 22 2HG GLU 22 -2.903 2.463 -6.470 167 2HG GLU 22 3HG GLU 22 -2.510 1.258 -7.689 168 H GLY 23 HN GLY 23 -6.454 -0.014 -8.362 169 1HA GLY 23 1HA GLY 23 -9.035 0.102 -7.347 170 2HA GLY 23 2HA GLY 23 -8.534 -0.990 -8.648 171 H LYS 24 HN LYS 24 -7.037 -2.945 -7.533 172 HA LYS 24 HA LYS 24 -8.947 -4.603 -6.273 173 1HB LYS 24 2HB LYS 24 -6.890 -5.343 -7.545 174 2HB LYS 24 3HB LYS 24 -5.912 -4.846 -6.162 175 1HG LYS 24 2HG LYS 24 -6.122 -7.061 -5.675 176 2HG LYS 24 3HG LYS 24 -7.585 -6.511 -4.849 177 1HD LYS 24 2HD LYS 24 -8.852 -7.004 -7.024 178 2HD LYS 24 3HD LYS 24 -7.337 -7.681 -7.658 179 1HE LYS 24 2HE LYS 24 -7.322 -9.247 -5.612 180 2HE LYS 24 3HE LYS 24 -8.963 -8.678 -5.268 181 1HZ LYS 24 1HZ LYS 24 -8.062 -10.080 -7.704 182 2HZ LYS 24 2HZ LYS 24 -9.003 -10.701 -6.514 183 3HZ LYS 24 3HZ LYS 24 -9.586 -9.504 -7.479 184 H ILE 25 HN ILE 25 -6.132 -2.841 -4.862 185 HA ILE 25 HA ILE 25 -6.600 -3.705 -2.204 186 HB ILE 25 HB ILE 25 -5.005 -1.527 -3.507 187 1HG1 ILE 25 2HG1 ILE 25 -4.103 -3.736 -3.905 188 2HG1 ILE 25 3HG1 ILE 25 -3.048 -2.758 -2.882 189 1HG2 ILE 25 1HG2 ILE 25 -5.260 -1.936 -0.570 190 2HG2 ILE 25 2HG2 ILE 25 -3.861 -1.175 -1.361 191 3HG2 ILE 25 3HG2 ILE 25 -5.463 -0.464 -1.561 192 1HD1 ILE 25 1HD1 ILE 25 -4.874 -5.035 -2.106 193 2HD1 ILE 25 2HD1 ILE 25 -3.112 -4.921 -1.915 194 3HD1 ILE 25 3HD1 ILE 25 -4.184 -3.910 -0.914 195 H GLY 26 HN GLY 26 -7.933 -1.052 -4.118 196 1HA GLY 26 1HA GLY 26 -9.187 0.479 -2.158 197 2HA GLY 26 2HA GLY 26 -9.842 0.128 -3.763 198 H LYS 27 HN LYS 27 -9.859 -2.963 -2.813 199 HA LYS 27 HA LYS 27 -12.578 -2.783 -1.661 200 1HB LYS 27 2HB LYS 27 -12.635 -4.193 -3.432 201 2HB LYS 27 3HB LYS 27 -10.993 -4.778 -3.226 202 1HG LYS 27 2HG LYS 27 -11.553 -6.130 -1.371 203 2HG LYS 27 3HG LYS 27 -13.240 -5.587 -1.367 204 1HD LYS 27 2HD LYS 27 -11.928 -6.930 -3.777 205 2HD LYS 27 3HD LYS 27 -12.678 -7.861 -2.467 206 1HE LYS 27 2HE LYS 27 -14.841 -6.715 -2.833 207 2HE LYS 27 3HE LYS 27 -14.140 -5.755 -4.145 208 1HZ LYS 27 1HZ LYS 27 -14.393 -8.690 -4.145 209 2HZ LYS 27 2HZ LYS 27 -15.376 -7.640 -4.938 210 3HZ LYS 27 3HZ LYS 27 -13.800 -7.766 -5.376 211 H LEU 28 HN LEU 28 -9.250 -3.066 -0.544 212 HA LEU 28 HA LEU 28 -9.682 -5.007 1.373 213 1HB LEU 28 2HB LEU 28 -7.723 -2.722 1.277 214 2HB LEU 28 3HB LEU 28 -7.678 -4.017 2.454 215 HG LEU 28 HG LEU 28 -6.359 -3.950 -0.008 216 1HD1 LEU 28 1HD1 LEU 28 -5.650 -4.961 2.095 217 2HD1 LEU 28 2HD1 LEU 28 -6.923 -6.201 1.909 218 3HD1 LEU 28 3HD1 LEU 28 -5.556 -6.122 0.753 219 1HD2 LEU 28 1HD2 LEU 28 -8.458 -6.157 0.025 220 2HD2 LEU 28 2HD2 LEU 28 -8.345 -4.865 -1.199 221 3HD2 LEU 28 3HD2 LEU 28 -7.069 -6.077 -1.073 222 H GLN 29 HN GLN 29 -10.359 -5.004 3.321 223 HA GLN 29 HA GLN 29 -11.983 -2.992 4.490 224 1HB GLN 29 2HB GLN 29 -12.087 -4.442 6.429 225 2HB GLN 29 3HB GLN 29 -12.299 -5.316 4.909 226 1HG GLN 29 2HG GLN 29 -9.643 -5.636 5.156 227 2HG GLN 29 3HG GLN 29 -10.021 -5.396 6.856 228 1HE2 GLN 29 2HE2 GLN 29 -11.455 -6.994 7.909 229 2HE2 GLN 29 1HE2 GLN 29 -11.706 -8.561 7.157 230 H GLY 30 HN GLY 30 -11.161 -1.017 4.963 231 1HA GLY 30 1HA GLY 30 -10.166 0.109 6.935 232 2HA GLY 30 2HA GLY 30 -8.698 -0.852 6.690 233 H VAL 31 HN VAL 31 -9.214 -0.407 3.546 234 HA VAL 31 HA VAL 31 -7.321 1.792 3.574 235 HB VAL 31 HB VAL 31 -8.499 -0.155 1.564 236 1HG1 VAL 31 1HG1 VAL 31 -6.851 2.290 0.881 237 2HG1 VAL 31 2HG1 VAL 31 -7.100 0.881 -0.186 238 3HG1 VAL 31 3HG1 VAL 31 -8.488 1.855 0.308 239 1HG2 VAL 31 1HG2 VAL 31 -6.580 -0.824 3.030 240 2HG2 VAL 31 2HG2 VAL 31 -6.149 -0.788 1.311 241 3HG2 VAL 31 3HG2 VAL 31 -5.638 0.537 2.377 242 H GLN 32 HN GLN 32 -7.758 3.839 3.282 243 HA GLN 32 HA GLN 32 -10.481 4.745 2.551 244 1HB GLN 32 2HB GLN 32 -8.356 5.741 4.197 245 2HB GLN 32 3HB GLN 32 -8.891 6.989 3.049 246 1HG GLN 32 2HG GLN 32 -10.819 5.405 4.792 247 2HG GLN 32 3HG GLN 32 -9.975 6.852 5.360 248 1HE2 GLN 32 2HE2 GLN 32 -11.919 8.075 5.610 249 2HE2 GLN 32 1HE2 GLN 32 -12.776 8.667 4.198 250 H ARG 33 HN ARG 33 -6.976 5.210 1.499 251 HA ARG 33 HA ARG 33 -7.941 5.150 -1.260 252 1HB ARG 33 2HB ARG 33 -8.274 7.512 -0.407 253 2HB ARG 33 3HB ARG 33 -6.525 7.662 -0.248 254 1HG ARG 33 2HG ARG 33 -6.201 7.593 -2.599 255 2HG ARG 33 3HG ARG 33 -7.807 6.877 -2.892 256 1HD ARG 33 2HD ARG 33 -8.928 8.881 -2.163 257 2HD ARG 33 3HD ARG 33 -7.383 9.660 -1.728 258 HE ARG 33 HE ARG 33 -7.098 8.998 -4.400 259 1HH1 ARG 33 1HH2 ARG 33 -9.400 10.911 -2.534 260 2HH1 ARG 33 2HH2 ARG 33 -9.776 12.025 -3.810 261 1HH2 ARG 33 1HH1 ARG 33 -7.535 10.495 -6.123 262 2HH2 ARG 33 2HH1 ARG 33 -8.666 11.788 -5.895 263 H ILE 34 HN ILE 34 -6.133 5.182 -2.826 264 HA ILE 34 HA ILE 34 -3.490 4.486 -1.776 265 HB ILE 34 HB ILE 34 -4.577 2.352 -1.852 266 1HG1 ILE 34 2HG1 ILE 34 -2.981 2.471 -4.402 267 2HG1 ILE 34 3HG1 ILE 34 -2.189 2.813 -2.881 268 1HG2 ILE 34 1HG2 ILE 34 -6.449 2.851 -3.478 269 2HG2 ILE 34 2HG2 ILE 34 -5.293 2.755 -4.816 270 3HG2 ILE 34 3HG2 ILE 34 -5.601 1.353 -3.812 271 1HD1 ILE 34 1HD1 ILE 34 -3.599 0.212 -3.568 272 2HD1 ILE 34 2HD1 ILE 34 -1.853 0.483 -3.490 273 3HD1 ILE 34 3HD1 ILE 34 -2.833 0.607 -2.019 274 H LYS 35 HN LYS 35 -1.849 5.160 -3.094 275 HA LYS 35 HA LYS 35 -2.370 5.820 -5.947 276 1HB LYS 35 2HB LYS 35 -2.749 7.844 -4.829 277 2HB LYS 35 3HB LYS 35 -1.467 7.570 -3.663 278 1HG LYS 35 2HG LYS 35 -0.475 7.741 -6.472 279 2HG LYS 35 3HG LYS 35 -1.363 9.169 -5.928 280 1HD LYS 35 2HD LYS 35 0.039 9.113 -3.791 281 2HD LYS 35 3HD LYS 35 1.073 7.915 -4.596 282 1HE LYS 35 2HE LYS 35 1.501 9.529 -6.441 283 2HE LYS 35 3HE LYS 35 0.445 10.718 -5.674 284 1HZ LYS 35 1HZ LYS 35 2.922 9.655 -4.498 285 2HZ LYS 35 2HZ LYS 35 2.766 11.117 -5.228 286 3HZ LYS 35 3HZ LYS 35 1.951 10.816 -3.833 287 H VAL 36 HN VAL 36 -0.959 4.483 -6.986 288 HA VAL 36 HA VAL 36 1.628 3.710 -5.680 289 HB VAL 36 HB VAL 36 -0.115 2.263 -7.692 290 1HG1 VAL 36 1HG1 VAL 36 2.291 1.675 -8.030 291 2HG1 VAL 36 2HG1 VAL 36 2.446 1.330 -6.306 292 3HG1 VAL 36 3HG1 VAL 36 1.388 0.337 -7.322 293 1HG2 VAL 36 1HG2 VAL 36 -0.945 2.354 -5.281 294 2HG2 VAL 36 2HG2 VAL 36 -0.621 0.741 -5.920 295 3HG2 VAL 36 3HG2 VAL 36 0.528 1.499 -4.810 296 H SER 37 HN SER 37 3.012 5.450 -6.483 297 HA SER 37 HA SER 37 3.117 6.033 -9.287 298 1HB SER 37 2HB SER 37 4.758 6.767 -6.843 299 2HB SER 37 3HB SER 37 4.791 7.515 -8.427 300 HG SER 37 HG SER 37 2.480 7.896 -8.099 301 H LEU 38 HN LEU 38 3.555 3.671 -9.908 302 HA LEU 38 HA LEU 38 5.835 2.258 -9.285 303 1HB LEU 38 2HB LEU 38 3.836 2.204 -11.296 304 2HB LEU 38 3HB LEU 38 5.335 2.319 -12.191 305 HG LEU 38 HG LEU 38 4.627 0.064 -11.899 306 1HD1 LEU 38 1HD1 LEU 38 7.068 0.408 -10.098 307 2HD1 LEU 38 2HD1 LEU 38 6.707 -0.932 -11.197 308 3HD1 LEU 38 3HD1 LEU 38 7.126 0.660 -11.848 309 1HD2 LEU 38 1HD2 LEU 38 3.369 0.260 -9.793 310 2HD2 LEU 38 2HD2 LEU 38 4.478 -1.115 -9.798 311 3HD2 LEU 38 3HD2 LEU 38 4.887 0.331 -8.875 312 H ASP 39 HN ASP 39 5.597 5.015 -11.570 313 HA ASP 39 HA ASP 39 8.093 5.295 -12.644 314 1HB ASP 39 2HB ASP 39 6.666 7.553 -11.151 315 2HB ASP 39 3HB ASP 39 7.684 7.665 -12.570 316 H ASN 40 HN ASN 40 6.988 6.166 -9.413 317 HA ASN 40 HA ASN 40 9.510 7.319 -8.675 318 1HB ASN 40 2HB ASN 40 7.079 8.090 -8.050 319 2HB ASN 40 3HB ASN 40 7.215 6.883 -6.762 320 1HD2 ASN 40 2HD2 ASN 40 8.814 9.754 -8.217 321 2HD2 ASN 40 1HD2 ASN 40 9.488 10.341 -6.707 322 H GLN 41 HN GLN 41 8.057 4.249 -8.664 323 HA GLN 41 HA GLN 41 8.452 2.220 -7.849 324 1HB GLN 41 2HB GLN 41 11.124 3.281 -6.829 325 2HB GLN 41 3HB GLN 41 10.680 1.599 -7.219 326 1HG GLN 41 2HG GLN 41 10.238 2.273 -9.529 327 2HG GLN 41 3HG GLN 41 10.705 3.926 -9.143 328 1HE2 GLN 41 2HE2 GLN 41 12.384 3.760 -10.832 329 2HE2 GLN 41 1HE2 GLN 41 13.905 2.981 -10.419 330 H GLU 42 HN GLU 42 7.082 4.054 -6.479 331 HA GLU 42 HA GLU 42 7.177 3.192 -3.635 332 1HB GLU 42 2HB GLU 42 8.664 5.360 -4.441 333 2HB GLU 42 3HB GLU 42 7.150 6.170 -4.075 334 1HG GLU 42 2HG GLU 42 8.602 4.271 -2.153 335 2HG GLU 42 3HG GLU 42 8.927 6.005 -2.245 336 H ALA 43 HN ALA 43 5.216 3.507 -2.493 337 HA ALA 43 HA ALA 43 2.915 4.644 -4.021 338 1HB ALA 43 1HB ALA 43 2.985 2.034 -2.450 339 2HB ALA 43 2HB ALA 43 1.551 2.763 -3.194 340 3HB ALA 43 3HB ALA 43 2.888 2.172 -4.215 341 H THR 44 HN THR 44 1.093 5.332 -2.619 342 HA THR 44 HA THR 44 1.812 5.747 0.198 343 HB THR 44 HB THR 44 1.130 7.809 -1.922 344 HG1 THR 44 1HG THR 44 3.348 6.821 -0.941 345 1HG2 THR 44 1HG2 THR 44 1.221 8.040 1.100 346 2HG2 THR 44 2HG2 THR 44 1.194 9.433 -0.017 347 3HG2 THR 44 3HG2 THR 44 -0.176 8.304 0.027 348 H ILE 45 HN ILE 45 0.154 4.996 1.371 349 HA ILE 45 HA ILE 45 -2.559 4.872 0.178 350 HB ILE 45 HB ILE 45 -0.848 2.932 1.773 351 1HG1 ILE 45 2HG1 ILE 45 -2.466 2.476 -0.698 352 2HG1 ILE 45 3HG1 ILE 45 -0.924 3.269 -0.903 353 1HG2 ILE 45 1HG2 ILE 45 -2.797 1.396 1.777 354 2HG2 ILE 45 2HG2 ILE 45 -3.076 2.788 2.802 355 3HG2 ILE 45 3HG2 ILE 45 -3.845 2.695 1.198 356 1HD1 ILE 45 1HD1 ILE 45 -1.169 0.551 0.354 357 2HD1 ILE 45 2HD1 ILE 45 -0.628 0.913 -1.303 358 3HD1 ILE 45 3HD1 ILE 45 0.298 1.542 0.061 359 H VAL 46 HN VAL 46 -4.268 4.753 1.919 360 HA VAL 46 HA VAL 46 -3.460 5.953 4.474 361 HB VAL 46 HB VAL 46 -4.074 7.799 3.084 362 1HG1 VAL 46 1HG1 VAL 46 -6.699 6.501 2.970 363 2HG1 VAL 46 2HG1 VAL 46 -6.357 8.161 2.414 364 3HG1 VAL 46 3HG1 VAL 46 -5.544 6.771 1.640 365 1HG2 VAL 46 1HG2 VAL 46 -6.044 7.212 5.354 366 2HG2 VAL 46 2HG2 VAL 46 -4.438 7.948 5.540 367 3HG2 VAL 46 3HG2 VAL 46 -5.708 8.815 4.673 368 H TYR 47 HN TYR 47 -4.301 4.838 6.140 369 HA TYR 47 HA TYR 47 -6.840 3.491 5.967 370 1HB TYR 47 2HB TYR 47 -6.068 1.217 6.344 371 2HB TYR 47 3HB TYR 47 -5.417 1.811 4.828 372 HD1 TYR 47 1HD TYR 47 -3.250 1.058 4.379 373 HD2 TYR 47 2HD TYR 47 -4.435 1.462 8.495 374 HE1 TYR 47 1HE TYR 47 -1.107 0.113 5.165 375 HE2 TYR 47 2HE TYR 47 -2.157 1.080 9.220 376 HH TYR 47 HH TYR 47 0.013 -0.676 7.149 377 H GLN 48 HN GLN 48 -7.057 2.118 8.187 378 HA GLN 48 HA GLN 48 -5.521 3.459 10.291 379 1HB GLN 48 2HB GLN 48 -7.752 2.934 11.612 380 2HB GLN 48 3HB GLN 48 -7.581 4.460 10.723 381 1HG GLN 48 2HG GLN 48 -8.763 3.606 8.868 382 2HG GLN 48 3HG GLN 48 -8.821 1.969 9.568 383 1HE2 GLN 48 2HE2 GLN 48 -11.030 3.996 8.747 384 2HE2 GLN 48 1HE2 GLN 48 -12.021 4.098 10.191 385 HA PRO 49 HA PRO 49 -4.629 -0.693 11.663 386 1HB PRO 49 2HB PRO 49 -3.616 -0.208 14.142 387 2HB PRO 49 3HB PRO 49 -2.793 0.374 12.675 388 1HG PRO 49 2HG PRO 49 -4.694 1.968 14.401 389 2HG PRO 49 3HG PRO 49 -3.029 2.383 13.906 390 1HD PRO 49 2HD PRO 49 -5.147 3.298 12.502 391 2HD PRO 49 3HD PRO 49 -3.703 2.685 11.631 392 H HIS 50 HN HIS 50 -7.069 -0.855 11.511 393 HA HIS 50 HA HIS 50 -7.982 -2.049 14.049 394 1HB HIS 50 2HB HIS 50 -9.201 0.429 12.927 395 2HB HIS 50 3HB HIS 50 -10.351 -0.893 13.132 396 HD1 HIS 50 1HD HIS 50 -7.490 0.037 15.560 397 HD2 HIS 50 2HD HIS 50 -11.661 -0.435 15.285 398 HE1 HIS 50 1HE HIS 50 -8.426 0.307 17.937 399 H LEU 51 HN LEU 51 -8.991 -1.261 10.671 400 HA LEU 51 HA LEU 51 -10.291 -3.882 10.451 401 1HB LEU 51 2HB LEU 51 -9.823 -1.663 8.444 402 2HB LEU 51 3HB LEU 51 -10.711 -3.165 8.156 403 HG LEU 51 HG LEU 51 -12.188 -2.417 10.191 404 1HD1 LEU 51 1HD1 LEU 51 -11.085 0.278 9.238 405 2HD1 LEU 51 2HD1 LEU 51 -12.504 0.056 10.275 406 3HD1 LEU 51 3HD1 LEU 51 -10.909 -0.387 10.872 407 1HD2 LEU 51 1HD2 LEU 51 -12.980 -2.676 7.883 408 2HD2 LEU 51 2HD2 LEU 51 -13.686 -1.236 8.630 409 3HD2 LEU 51 3HD2 LEU 51 -12.353 -1.063 7.472 410 H ILE 52 HN ILE 52 -7.147 -2.348 9.621 411 HA ILE 52 HA ILE 52 -6.342 -4.856 8.320 412 HB ILE 52 HB ILE 52 -6.672 -2.850 6.861 413 1HG1 ILE 52 2HG1 ILE 52 -4.660 -3.234 5.562 414 2HG1 ILE 52 3HG1 ILE 52 -3.843 -4.024 6.918 415 1HG2 ILE 52 1HG2 ILE 52 -4.122 -1.921 8.184 416 2HG2 ILE 52 2HG2 ILE 52 -4.987 -1.146 6.837 417 3HG2 ILE 52 3HG2 ILE 52 -5.739 -1.228 8.448 418 1HD1 ILE 52 1HD1 ILE 52 -6.484 -5.026 5.793 419 2HD1 ILE 52 2HD1 ILE 52 -4.920 -5.516 5.097 420 3HD1 ILE 52 3HD1 ILE 52 -5.299 -5.916 6.783 421 H SER 53 HN SER 53 -4.384 -5.742 8.935 422 HA SER 53 HA SER 53 -3.547 -5.069 11.585 423 1HB SER 53 2HB SER 53 -2.271 -7.006 9.755 424 2HB SER 53 3HB SER 53 -2.343 -7.058 11.519 425 HG SER 53 HG SER 53 -3.917 -8.471 10.476 426 H VAL 54 HN VAL 54 -2.930 -3.153 9.540 427 HA VAL 54 HA VAL 54 -1.537 -1.573 9.016 428 HB VAL 54 HB VAL 54 -0.511 -2.502 11.545 429 1HG1 VAL 54 1HG1 VAL 54 1.656 -1.521 9.656 430 2HG1 VAL 54 2HG1 VAL 54 1.753 -1.493 11.435 431 3HG1 VAL 54 3HG1 VAL 54 1.642 -3.038 10.598 432 1HG2 VAL 54 1HG2 VAL 54 -0.216 -0.184 11.966 433 2HG2 VAL 54 2HG2 VAL 54 -0.146 0.199 10.237 434 3HG2 VAL 54 3HG2 VAL 54 -1.667 -0.372 10.960 435 H GLU 55 HN GLU 55 0.416 -4.440 9.508 436 HA GLU 55 HA GLU 55 2.126 -3.980 7.230 437 1HB GLU 55 2HB GLU 55 2.510 -5.251 9.510 438 2HB GLU 55 3HB GLU 55 1.774 -6.584 8.613 439 1HG GLU 55 2HG GLU 55 4.132 -6.789 8.398 440 2HG GLU 55 3HG GLU 55 3.582 -6.182 6.824 441 H GLU 56 HN GLU 56 -0.703 -5.967 8.003 442 HA GLU 56 HA GLU 56 -0.763 -7.867 6.098 443 1HB GLU 56 2HB GLU 56 -2.849 -6.347 7.580 444 2HB GLU 56 3HB GLU 56 -3.420 -6.999 6.047 445 1HG GLU 56 2HG GLU 56 -2.050 -8.700 8.132 446 2HG GLU 56 3HG GLU 56 -3.801 -8.598 7.866 447 H MET 57 HN MET 57 -2.124 -4.602 5.558 448 HA MET 57 HA MET 57 -2.989 -4.722 2.992 449 1HB MET 57 2HB MET 57 -2.386 -2.749 4.895 450 2HB MET 57 3HB MET 57 -1.300 -2.317 3.602 451 1HG MET 57 2HG MET 57 -4.203 -2.911 3.023 452 2HG MET 57 3HG MET 57 -3.785 -1.415 3.833 453 1HE MET 57 1HE MET 57 -1.140 -2.484 1.075 454 2HE MET 57 2HE MET 57 -2.607 -3.392 0.587 455 3HE MET 57 3HE MET 57 -2.011 -2.028 -0.383 456 H LYS 58 HN LYS 58 0.390 -4.014 3.947 457 HA LYS 58 HA LYS 58 1.295 -3.975 1.194 458 1HB LYS 58 2HB LYS 58 2.139 -2.707 3.292 459 2HB LYS 58 3HB LYS 58 3.070 -4.127 3.655 460 1HG LYS 58 2HG LYS 58 3.110 -2.438 1.093 461 2HG LYS 58 3HG LYS 58 4.279 -2.287 2.388 462 1HD LYS 58 2HD LYS 58 3.976 -4.519 0.350 463 2HD LYS 58 3HD LYS 58 5.203 -3.292 0.498 464 1HE LYS 58 2HE LYS 58 6.160 -5.355 1.299 465 2HE LYS 58 3HE LYS 58 5.952 -4.294 2.707 466 1HZ LYS 58 1HZ LYS 58 4.070 -6.355 1.908 467 2HZ LYS 58 2HZ LYS 58 5.381 -6.632 2.859 468 3HZ LYS 58 3HZ LYS 58 4.194 -5.612 3.391 469 H LYS 59 HN LYS 59 1.069 -6.467 3.798 470 HA LYS 59 HA LYS 59 2.887 -8.255 2.397 471 1HB LYS 59 2HB LYS 59 0.761 -8.879 4.487 472 2HB LYS 59 3HB LYS 59 2.002 -9.977 3.900 473 1HG LYS 59 2HG LYS 59 2.409 -7.478 5.549 474 2HG LYS 59 3HG LYS 59 2.663 -9.135 6.058 475 1HD LYS 59 2HD LYS 59 4.292 -8.776 3.757 476 2HD LYS 59 3HD LYS 59 4.533 -7.304 4.708 477 1HE LYS 59 2HE LYS 59 5.411 -8.589 6.530 478 2HE LYS 59 3HE LYS 59 4.815 -10.119 5.844 479 1HZ LYS 59 1HZ LYS 59 6.768 -8.467 4.388 480 2HZ LYS 59 2HZ LYS 59 7.223 -9.717 5.407 481 3HZ LYS 59 3HZ LYS 59 6.310 -9.929 4.032 482 H GLN 60 HN GLN 60 -0.543 -7.490 2.017 483 HA GLN 60 HA GLN 60 -1.118 -9.765 0.386 484 1HB GLN 60 2HB GLN 60 -2.340 -7.015 0.079 485 2HB GLN 60 3HB GLN 60 -2.988 -8.599 -0.325 486 1HG GLN 60 2HG GLN 60 -2.382 -8.804 2.407 487 2HG GLN 60 3HG GLN 60 -2.987 -7.151 2.243 488 1HE2 GLN 60 2HE2 GLN 60 -4.260 -9.119 3.846 489 2HE2 GLN 60 1HE2 GLN 60 -5.827 -9.419 3.103 490 H ILE 61 HN ILE 61 0.103 -6.528 -0.199 491 HA ILE 61 HA ILE 61 0.572 -6.678 -3.017 492 HB ILE 61 HB ILE 61 2.049 -5.063 -0.985 493 1HG1 ILE 61 2HG1 ILE 61 -0.565 -4.896 -2.427 494 2HG1 ILE 61 3HG1 ILE 61 -0.077 -4.252 -0.860 495 1HG2 ILE 61 1HG2 ILE 61 3.406 -5.399 -3.056 496 2HG2 ILE 61 2HG2 ILE 61 2.014 -4.959 -4.049 497 3HG2 ILE 61 3HG2 ILE 61 2.799 -3.763 -2.989 498 1HD1 ILE 61 1HD1 ILE 61 0.560 -3.162 -3.608 499 2HD1 ILE 61 2HD1 ILE 61 -0.583 -2.472 -2.440 500 3HD1 ILE 61 3HD1 ILE 61 1.158 -2.435 -2.080 501 H GLU 62 HN GLU 62 2.700 -7.846 -0.311 502 HA GLU 62 HA GLU 62 4.879 -8.677 -1.990 503 1HB GLU 62 2HB GLU 62 3.914 -9.861 0.639 504 2HB GLU 62 3HB GLU 62 5.324 -10.414 -0.252 505 1HG GLU 62 2HG GLU 62 6.420 -8.288 -0.090 506 2HG GLU 62 3HG GLU 62 4.977 -7.546 0.594 507 H ALA 63 HN ALA 63 2.008 -10.347 -0.729 508 HA ALA 63 HA ALA 63 2.313 -12.835 -1.933 509 1HB ALA 63 1HB ALA 63 0.844 -12.255 -0.012 510 2HB ALA 63 2HB ALA 63 -0.297 -11.500 -1.139 511 3HB ALA 63 3HB ALA 63 0.030 -13.239 -1.252 512 H MET 64 HN MET 64 0.868 -9.912 -3.424 513 HA MET 64 HA MET 64 -0.360 -11.120 -5.652 514 1HB MET 64 2HB MET 64 1.342 -8.588 -5.634 515 2HB MET 64 3HB MET 64 0.213 -9.077 -6.897 516 1HG MET 64 2HG MET 64 -0.518 -8.373 -4.057 517 2HG MET 64 3HG MET 64 -0.772 -7.367 -5.471 518 1HE MET 64 1HE MET 64 -3.200 -7.032 -4.372 519 2HE MET 64 2HE MET 64 -4.329 -8.380 -4.080 520 3HE MET 64 3HE MET 64 -2.846 -8.240 -3.109 521 H GLY 65 HN GLY 65 3.044 -10.880 -4.851 522 1HA GLY 65 1HA GLY 65 4.373 -12.739 -5.620 523 2HA GLY 65 2HA GLY 65 3.721 -12.554 -7.252 524 H PHE 66 HN PHE 66 4.906 -10.060 -4.946 525 HA PHE 66 HA PHE 66 7.201 -9.441 -6.707 526 1HB PHE 66 2HB PHE 66 4.868 -7.577 -6.157 527 2HB PHE 66 3HB PHE 66 6.441 -7.003 -6.670 528 HD1 PHE 66 1HD PHE 66 3.270 -8.053 -7.874 529 HD2 PHE 66 2HD PHE 66 7.469 -8.329 -8.796 530 HE1 PHE 66 1HE PHE 66 2.730 -8.349 -10.266 531 HE2 PHE 66 2HE PHE 66 6.940 -8.653 -11.167 532 HZ PHE 66 HZ PHE 66 4.561 -8.621 -11.941 533 HA PRO 67 HA PRO 67 8.384 -8.967 -2.355 534 1HB PRO 67 2HB PRO 67 11.022 -8.264 -2.645 535 2HB PRO 67 3HB PRO 67 10.409 -9.929 -2.855 536 1HG PRO 67 2HG PRO 67 10.942 -7.875 -5.014 537 2HG PRO 67 3HG PRO 67 11.470 -9.583 -4.976 538 1HD PRO 67 2HD PRO 67 9.271 -8.802 -6.341 539 2HD PRO 67 3HD PRO 67 9.260 -10.352 -5.450 540 H ALA 68 HN ALA 68 7.393 -7.210 -1.460 541 HA ALA 68 HA ALA 68 8.081 -4.459 -2.376 542 1HB ALA 68 1HB ALA 68 5.784 -5.248 -2.768 543 2HB ALA 68 2HB ALA 68 5.604 -5.654 -1.055 544 3HB ALA 68 3HB ALA 68 5.783 -3.961 -1.569 545 H PHE 69 HN PHE 69 7.165 -3.116 -0.090 546 HA PHE 69 HA PHE 69 8.195 -4.205 2.292 547 1HB PHE 69 2HB PHE 69 10.123 -2.729 0.622 548 2HB PHE 69 3HB PHE 69 9.923 -1.966 2.189 549 HD1 PHE 69 1HD PHE 69 11.901 -4.287 0.518 550 HD2 PHE 69 2HD PHE 69 9.845 -3.717 4.276 551 HE1 PHE 69 1HE PHE 69 13.473 -5.840 1.630 552 HE2 PHE 69 2HE PHE 69 11.356 -5.346 5.348 553 HZ PHE 69 HZ PHE 69 13.193 -6.396 4.038 554 H VAL 70 HN VAL 70 7.879 -2.777 4.128 555 HA VAL 70 HA VAL 70 6.007 -0.506 3.655 556 HB VAL 70 HB VAL 70 6.726 -2.178 6.110 557 1HG1 VAL 70 1HG1 VAL 70 6.390 0.141 6.851 558 2HG1 VAL 70 2HG1 VAL 70 4.893 0.237 5.891 559 3HG1 VAL 70 3HG1 VAL 70 4.993 -0.847 7.292 560 1HG2 VAL 70 1HG2 VAL 70 4.322 -2.761 6.066 561 2HG2 VAL 70 2HG2 VAL 70 4.100 -1.784 4.612 562 3HG2 VAL 70 3HG2 VAL 70 5.116 -3.253 4.569 563 H LYS 71 HN LYS 71 6.913 1.521 3.792 564 HA LYS 71 HA LYS 71 9.566 1.808 5.178 565 1HB LYS 71 2HB LYS 71 8.181 3.679 3.229 566 2HB LYS 71 3HB LYS 71 9.614 4.047 4.176 567 1HG LYS 71 2HG LYS 71 10.401 1.661 3.035 568 2HG LYS 71 3HG LYS 71 9.251 2.239 1.826 569 1HD LYS 71 2HD LYS 71 11.367 3.101 1.145 570 2HD LYS 71 3HD LYS 71 10.515 4.474 1.871 571 1HE LYS 71 2HE LYS 71 11.799 3.955 4.053 572 2HE LYS 71 3HE LYS 71 12.665 2.698 3.168 573 1HZ LYS 71 1HZ LYS 71 12.707 5.578 2.549 574 2HZ LYS 71 2HZ LYS 71 13.898 4.729 3.293 575 3HZ LYS 71 3HZ LYS 71 13.533 4.416 1.723 576 H LYS 72 HN LYS 72 6.538 3.747 4.890 577 HA LYS 72 HA LYS 72 7.068 4.744 7.660 578 1HB LYS 72 2HB LYS 72 6.515 6.219 5.602 579 2HB LYS 72 3HB LYS 72 4.834 5.724 5.885 580 1HG LYS 72 2HG LYS 72 4.930 6.711 8.147 581 2HG LYS 72 3HG LYS 72 6.654 7.081 7.919 582 1HD LYS 72 2HD LYS 72 6.040 8.546 5.989 583 2HD LYS 72 3HD LYS 72 4.324 8.167 6.275 584 1HE LYS 72 2HE LYS 72 4.526 9.121 8.588 585 2HE LYS 72 3HE LYS 72 6.216 9.539 8.258 586 1HZ LYS 72 1HZ LYS 72 3.867 10.608 6.834 587 2HZ LYS 72 2HZ LYS 72 4.762 11.403 7.959 588 3HZ LYS 72 3HZ LYS 72 5.437 11.005 6.514 589 H ILE 73 HN ILE 73 4.748 4.951 9.009 590 HA ILE 73 HA ILE 73 2.999 2.748 8.562 591 HB ILE 73 HB ILE 73 5.269 1.933 9.588 592 1HG1 ILE 73 2HG1 ILE 73 2.792 1.059 11.059 593 2HG1 ILE 73 3HG1 ILE 73 3.115 0.667 9.356 594 1HG2 ILE 73 1HG2 ILE 73 5.258 3.791 11.247 595 2HG2 ILE 73 2HG2 ILE 73 3.940 2.952 12.093 596 3HG2 ILE 73 3HG2 ILE 73 5.536 2.180 11.946 597 1HD1 ILE 73 1HD1 ILE 73 4.933 -0.055 11.697 598 2HD1 ILE 73 2HD1 ILE 73 3.936 -1.173 10.753 599 3HD1 ILE 73 3HD1 ILE 73 5.293 -0.354 9.980 600 H GLU 74 HN GLU 74 1.508 2.646 10.814 601 HA GLU 74 HA GLU 74 0.293 5.252 10.765 602 1HB GLU 74 2HB GLU 74 -0.963 3.137 11.042 603 2HB GLU 74 3HB GLU 74 -0.409 3.076 12.728 604 1HG GLU 74 2HG GLU 74 -1.419 5.753 11.966 605 2HG GLU 74 3HG GLU 74 -2.626 4.536 11.668 606 H GLY 75 HN GLY 75 0.351 6.842 12.517 607 1HA GLY 75 1HA GLY 75 1.238 6.516 15.113 608 2HA GLY 75 2HA GLY 75 2.658 7.037 14.165 609 H ARG 76 HN ARG 76 2.224 9.062 15.739 610 HA ARG 76 HA ARG 76 1.243 11.086 14.047 611 1HB ARG 76 2HB ARG 76 -0.462 12.020 15.348 612 2HB ARG 76 3HB ARG 76 -0.864 10.302 15.363 613 1HG ARG 76 2HG ARG 76 0.678 10.441 17.638 614 2HG ARG 76 3HG ARG 76 0.134 12.117 17.540 615 1HD ARG 76 2HD ARG 76 -1.474 11.051 18.874 616 2HD ARG 76 3HD ARG 76 -2.257 11.121 17.276 617 HE ARG 76 HE ARG 76 -0.775 8.710 17.441 618 1HH1 ARG 76 1HH2 ARG 76 -3.630 10.148 18.888 619 2HH1 ARG 76 2HH2 ARG 76 -4.304 8.662 19.490 620 1HH2 ARG 76 1HH1 ARG 76 -1.604 6.691 18.217 621 2HH2 ARG 76 2HH1 ARG 76 -3.093 6.632 19.101 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -6.315 7.324 12.468 2 2H GLY 1 2H GLY 1 -7.493 7.007 13.548 3 3H GLY 1 3H GLY 1 -6.909 5.814 12.556 4 1HA GLY 1 1HA GLY 1 -8.834 6.415 11.401 5 2HA GLY 1 2HA GLY 1 -8.525 8.136 11.735 6 H GLU 2 HN GLU 2 -8.834 7.377 9.047 7 HA GLU 2 HA GLU 2 -6.986 6.406 7.409 8 1HB GLU 2 2HB GLU 2 -8.440 9.079 7.228 9 2HB GLU 2 3HB GLU 2 -7.595 8.322 5.879 10 1HG GLU 2 2HG GLU 2 -9.603 7.422 5.446 11 2HG GLU 2 3HG GLU 2 -9.126 6.198 6.638 12 H VAL 3 HN VAL 3 -4.779 6.389 7.767 13 HA VAL 3 HA VAL 3 -3.396 9.013 7.761 14 HB VAL 3 HB VAL 3 -3.248 7.638 9.879 15 1HG1 VAL 3 1HG1 VAL 3 -2.938 5.531 8.605 16 2HG1 VAL 3 2HG1 VAL 3 -1.328 6.101 8.139 17 3HG1 VAL 3 3HG1 VAL 3 -1.721 5.789 9.854 18 1HG2 VAL 3 1HG2 VAL 3 -1.320 9.304 8.509 19 2HG2 VAL 3 2HG2 VAL 3 -1.489 8.998 10.235 20 3HG2 VAL 3 3HG2 VAL 3 -0.443 7.964 9.249 21 H VAL 4 HN VAL 4 -1.600 9.190 6.459 22 HA VAL 4 HA VAL 4 -1.575 7.691 3.997 23 HB VAL 4 HB VAL 4 0.099 9.957 5.196 24 1HG1 VAL 4 1HG1 VAL 4 1.296 8.756 3.375 25 2HG1 VAL 4 2HG1 VAL 4 -0.099 9.085 2.312 26 3HG1 VAL 4 3HG1 VAL 4 0.874 10.425 2.960 27 1HG2 VAL 4 1HG2 VAL 4 -2.181 10.075 3.169 28 2HG2 VAL 4 2HG2 VAL 4 -2.283 10.617 4.857 29 3HG2 VAL 4 3HG2 VAL 4 -1.206 11.445 3.727 30 H LEU 5 HN LEU 5 -0.468 5.862 3.755 31 HA LEU 5 HA LEU 5 2.079 5.450 5.339 32 1HB LEU 5 2HB LEU 5 0.654 3.755 5.878 33 2HB LEU 5 3HB LEU 5 0.125 3.493 4.208 34 HG LEU 5 HG LEU 5 2.285 2.568 3.567 35 1HD1 LEU 5 1HD1 LEU 5 3.322 2.566 6.402 36 2HD1 LEU 5 2HD1 LEU 5 4.156 2.267 4.886 37 3HD1 LEU 5 3HD1 LEU 5 3.718 3.910 5.325 38 1HD2 LEU 5 1HD2 LEU 5 0.675 1.545 5.805 39 2HD2 LEU 5 2HD2 LEU 5 1.026 0.822 4.211 40 3HD2 LEU 5 3HD2 LEU 5 2.184 0.697 5.549 41 H LYS 6 HN LYS 6 3.804 5.730 4.210 42 HA LYS 6 HA LYS 6 3.881 5.405 1.260 43 1HB LYS 6 2HB LYS 6 5.297 7.178 3.143 44 2HB LYS 6 3HB LYS 6 6.434 6.283 2.145 45 1HG LYS 6 2HG LYS 6 4.196 7.349 0.580 46 2HG LYS 6 3HG LYS 6 5.008 8.632 1.433 47 1HD LYS 6 2HD LYS 6 6.600 6.590 -0.174 48 2HD LYS 6 3HD LYS 6 5.667 7.817 -1.011 49 1HE LYS 6 2HE LYS 6 7.687 8.881 -0.913 50 2HE LYS 6 3HE LYS 6 6.891 9.573 0.504 51 1HZ LYS 6 1HZ LYS 6 8.821 7.364 0.387 52 2HZ LYS 6 2HZ LYS 6 9.132 8.874 0.965 53 3HZ LYS 6 3HZ LYS 6 8.108 7.869 1.797 54 H MET 7 HN MET 7 4.762 3.637 0.377 55 HA MET 7 HA MET 7 6.525 1.897 2.010 56 1HB MET 7 2HB MET 7 5.311 -0.039 1.296 57 2HB MET 7 3HB MET 7 4.187 1.051 2.115 58 1HG MET 7 2HG MET 7 3.419 1.836 -0.153 59 2HG MET 7 3HG MET 7 4.492 0.624 -0.883 60 1HE MET 7 1HE MET 7 2.446 -0.470 -2.280 61 2HE MET 7 2HE MET 7 0.909 -0.903 -1.525 62 3HE MET 7 3HE MET 7 1.392 0.803 -1.611 63 H LYS 8 HN LYS 8 7.753 0.417 0.680 64 HA LYS 8 HA LYS 8 8.507 1.560 -1.967 65 1HB LYS 8 2HB LYS 8 9.958 0.248 0.267 66 2HB LYS 8 3HB LYS 8 10.319 -0.476 -1.293 67 1HG LYS 8 2HG LYS 8 10.399 2.536 -0.845 68 2HG LYS 8 3HG LYS 8 11.789 1.489 -0.552 69 1HD LYS 8 2HD LYS 8 10.680 0.797 -3.134 70 2HD LYS 8 3HD LYS 8 10.804 2.554 -3.069 71 1HE LYS 8 2HE LYS 8 13.142 2.523 -2.854 72 2HE LYS 8 3HE LYS 8 13.185 0.871 -2.199 73 1HZ LYS 8 1HZ LYS 8 12.369 1.309 -4.972 74 2HZ LYS 8 2HZ LYS 8 13.947 1.093 -4.509 75 3HZ LYS 8 3HZ LYS 8 12.890 -0.068 -4.191 76 H VAL 9 HN VAL 9 8.088 0.387 -3.761 77 HA VAL 9 HA VAL 9 7.063 -2.398 -3.515 78 HB VAL 9 HB VAL 9 5.863 -0.347 -5.407 79 1HG1 VAL 9 1HG1 VAL 9 4.889 -3.068 -4.398 80 2HG1 VAL 9 2HG1 VAL 9 4.138 -2.068 -5.660 81 3HG1 VAL 9 3HG1 VAL 9 5.722 -2.813 -5.936 82 1HG2 VAL 9 1HG2 VAL 9 5.297 0.427 -3.174 83 2HG2 VAL 9 2HG2 VAL 9 3.900 -0.342 -3.943 84 3HG2 VAL 9 3HG2 VAL 9 4.814 -1.220 -2.689 85 H GLU 10 HN GLU 10 9.264 -2.940 -3.998 86 HA GLU 10 HA GLU 10 10.325 -2.145 -6.587 87 1HB GLU 10 2HB GLU 10 11.690 -4.333 -5.167 88 2HB GLU 10 3HB GLU 10 12.297 -2.826 -5.857 89 1HG GLU 10 2HG GLU 10 11.182 -1.675 -3.758 90 2HG GLU 10 3HG GLU 10 11.105 -3.332 -3.123 91 H GLY 11 HN GLY 11 10.508 -3.600 -8.393 92 1HA GLY 11 1HA GLY 11 10.563 -5.971 -9.040 93 2HA GLY 11 2HA GLY 11 9.090 -6.246 -8.124 94 H MET 12 HN MET 12 7.680 -3.817 -9.036 95 HA MET 12 HA MET 12 6.446 -4.854 -11.371 96 1HB MET 12 2HB MET 12 6.466 -2.089 -10.104 97 2HB MET 12 3HB MET 12 5.674 -2.392 -11.654 98 1HG MET 12 2HG MET 12 4.006 -2.541 -10.018 99 2HG MET 12 3HG MET 12 4.294 -4.175 -10.625 100 1HE MET 12 1HE MET 12 2.676 -4.870 -8.628 101 2HE MET 12 2HE MET 12 3.034 -4.534 -6.915 102 3HE MET 12 3HE MET 12 2.614 -3.200 -8.016 103 H THR 13 HN THR 13 7.212 -4.999 -13.376 104 HA THR 13 HA THR 13 9.668 -3.731 -14.205 105 HB THR 13 HB THR 13 9.319 -5.983 -14.797 106 HG1 THR 13 1HG THR 13 9.088 -4.256 -17.018 107 1HG2 THR 13 1HG2 THR 13 6.795 -5.035 -16.197 108 2HG2 THR 13 2HG2 THR 13 7.558 -6.616 -16.474 109 3HG2 THR 13 3HG2 THR 13 6.925 -6.210 -14.874 110 H CYS 14 HN CYS 14 8.193 -1.625 -13.635 111 HA CYS 14 HA CYS 14 6.966 0.113 -14.183 112 1HB CYS 14 2HB CYS 14 7.711 1.546 -15.806 113 2HB CYS 14 3HB CYS 14 9.130 0.574 -15.409 114 HG CYS 14 HG CYS 14 8.949 1.251 -17.954 115 H HIS 15 HN HIS 15 5.825 1.015 -16.700 116 HA HIS 15 HA HIS 15 3.776 0.949 -17.666 117 1HB HIS 15 2HB HIS 15 5.141 -1.616 -18.500 118 2HB HIS 15 3HB HIS 15 3.582 -1.142 -19.172 119 HD1 HIS 15 1HD HIS 15 6.881 -0.974 -20.330 120 HD2 HIS 15 2HD HIS 15 3.691 1.743 -19.971 121 HE1 HIS 15 1HE HIS 15 7.232 0.821 -22.122 122 H SER 16 HN SER 16 2.247 1.023 -16.070 123 HA SER 16 HA SER 16 0.315 0.400 -15.095 124 1HB SER 16 2HB SER 16 -0.209 -0.722 -17.260 125 2HB SER 16 3HB SER 16 0.444 -2.242 -16.616 126 HG SER 16 HG SER 16 -1.867 -1.946 -16.359 127 H CYS 17 HN CYS 17 -0.331 -2.344 -14.257 128 HA CYS 17 HA CYS 17 -0.186 -3.511 -12.282 129 1HB CYS 17 2HB CYS 17 2.826 -3.017 -12.445 130 2HB CYS 17 3HB CYS 17 2.002 -4.113 -11.326 131 HG CYS 17 HG CYS 17 3.224 -5.349 -13.323 132 H THR 18 HN THR 18 -0.787 -0.759 -12.399 133 HA THR 18 HA THR 18 -0.233 0.043 -9.597 134 HB THR 18 HB THR 18 0.804 1.727 -10.573 135 HG1 THR 18 1HG THR 18 -1.839 2.682 -10.273 136 1HG2 THR 18 1HG2 THR 18 -1.123 1.712 -12.873 137 2HG2 THR 18 2HG2 THR 18 0.172 2.905 -12.596 138 3HG2 THR 18 3HG2 THR 18 0.579 1.189 -12.792 139 H SER 19 HN SER 19 -2.681 0.927 -12.152 140 HA SER 19 HA SER 19 -4.663 1.181 -10.378 141 1HB SER 19 2HB SER 19 -5.165 0.178 -13.208 142 2HB SER 19 3HB SER 19 -6.081 1.408 -12.310 143 HG SER 19 HG SER 19 -4.157 2.718 -12.404 144 H THR 20 HN THR 20 -3.924 -1.891 -11.889 145 HA THR 20 HA THR 20 -6.035 -3.344 -10.825 146 HB THR 20 HB THR 20 -3.058 -4.079 -11.059 147 HG1 THR 20 1HG THR 20 -3.793 -4.860 -13.111 148 1HG2 THR 20 1HG2 THR 20 -5.604 -5.708 -10.893 149 2HG2 THR 20 2HG2 THR 20 -4.004 -6.390 -11.325 150 3HG2 THR 20 3HG2 THR 20 -4.269 -5.675 -9.717 151 H ILE 21 HN ILE 21 -2.909 -2.554 -9.238 152 HA ILE 21 HA ILE 21 -3.542 -3.855 -6.753 153 HB ILE 21 HB ILE 21 -1.423 -1.969 -7.818 154 1HG1 ILE 21 2HG1 ILE 21 0.033 -3.770 -6.764 155 2HG1 ILE 21 3HG1 ILE 21 -1.428 -4.735 -6.514 156 1HG2 ILE 21 1HG2 ILE 21 -0.305 -1.793 -5.802 157 2HG2 ILE 21 2HG2 ILE 21 -1.886 -1.030 -5.613 158 3HG2 ILE 21 3HG2 ILE 21 -1.592 -2.649 -4.900 159 1HD1 ILE 21 1HD1 ILE 21 -0.414 -3.591 -9.133 160 2HD1 ILE 21 2HD1 ILE 21 -0.117 -5.257 -8.585 161 3HD1 ILE 21 3HD1 ILE 21 -1.774 -4.739 -8.967 162 H GLU 22 HN GLU 22 -3.751 -0.458 -7.976 163 HA GLU 22 HA GLU 22 -4.446 0.664 -5.520 164 1HB GLU 22 2HB GLU 22 -5.092 1.545 -8.355 165 2HB GLU 22 3HB GLU 22 -5.373 2.562 -6.964 166 1HG GLU 22 2HG GLU 22 -3.020 2.494 -6.347 167 2HG GLU 22 3HG GLU 22 -2.636 1.367 -7.649 168 H GLY 23 HN GLY 23 -6.558 0.003 -8.198 169 1HA GLY 23 1HA GLY 23 -9.122 0.262 -7.139 170 2HA GLY 23 2HA GLY 23 -8.689 -0.881 -8.422 171 H LYS 24 HN LYS 24 -7.179 -2.835 -7.234 172 HA LYS 24 HA LYS 24 -9.161 -4.366 -5.891 173 1HB LYS 24 2HB LYS 24 -7.366 -5.372 -7.153 174 2HB LYS 24 3HB LYS 24 -6.140 -4.734 -6.053 175 1HG LYS 24 2HG LYS 24 -6.618 -6.207 -4.356 176 2HG LYS 24 3HG LYS 24 -8.308 -6.438 -4.820 177 1HD LYS 24 2HD LYS 24 -6.034 -7.402 -6.585 178 2HD LYS 24 3HD LYS 24 -6.637 -8.389 -5.239 179 1HE LYS 24 2HE LYS 24 -8.840 -8.550 -6.139 180 2HE LYS 24 3HE LYS 24 -8.567 -7.268 -7.321 181 1HZ LYS 24 1HZ LYS 24 -7.255 -9.902 -7.382 182 2HZ LYS 24 2HZ LYS 24 -8.517 -9.426 -8.322 183 3HZ LYS 24 3HZ LYS 24 -7.059 -8.690 -8.483 184 H ILE 25 HN ILE 25 -6.239 -2.713 -4.574 185 HA ILE 25 HA ILE 25 -6.725 -3.375 -1.851 186 HB ILE 25 HB ILE 25 -5.220 -1.184 -3.356 187 1HG1 ILE 25 2HG1 ILE 25 -4.410 -3.538 -3.665 188 2HG1 ILE 25 3HG1 ILE 25 -3.240 -2.357 -3.065 189 1HG2 ILE 25 1HG2 ILE 25 -5.377 -1.569 -0.442 190 2HG2 ILE 25 2HG2 ILE 25 -3.920 -0.894 -1.198 191 3HG2 ILE 25 3HG2 ILE 25 -5.482 -0.079 -1.415 192 1HD1 ILE 25 1HD1 ILE 25 -4.833 -4.271 -1.356 193 2HD1 ILE 25 2HD1 ILE 25 -3.176 -4.559 -1.928 194 3HD1 ILE 25 3HD1 ILE 25 -3.513 -3.200 -0.825 195 H GLY 26 HN GLY 26 -7.913 -0.728 -3.889 196 1HA GLY 26 1HA GLY 26 -9.283 0.802 -1.986 197 2HA GLY 26 2HA GLY 26 -9.736 0.584 -3.679 198 H LYS 27 HN LYS 27 -10.047 -2.539 -2.953 199 HA LYS 27 HA LYS 27 -12.864 -2.277 -2.105 200 1HB LYS 27 2HB LYS 27 -11.243 -4.302 -3.558 201 2HB LYS 27 3HB LYS 27 -12.467 -4.912 -2.469 202 1HG LYS 27 2HG LYS 27 -13.004 -2.783 -4.589 203 2HG LYS 27 3HG LYS 27 -13.134 -4.519 -4.847 204 1HD LYS 27 2HD LYS 27 -14.729 -4.452 -2.700 205 2HD LYS 27 3HD LYS 27 -14.835 -2.737 -3.081 206 1HE LYS 27 2HE LYS 27 -16.704 -3.742 -4.132 207 2HE LYS 27 3HE LYS 27 -15.569 -3.356 -5.431 208 1HZ LYS 27 1HZ LYS 27 -15.956 -6.008 -4.185 209 2HZ LYS 27 2HZ LYS 27 -16.505 -5.552 -5.664 210 3HZ LYS 27 3HZ LYS 27 -14.890 -5.685 -5.397 211 H LEU 28 HN LEU 28 -9.599 -3.219 -0.859 212 HA LEU 28 HA LEU 28 -10.593 -5.031 0.942 213 1HB LEU 28 2HB LEU 28 -8.048 -3.471 0.806 214 2HB LEU 28 3HB LEU 28 -8.361 -4.689 2.027 215 HG LEU 28 HG LEU 28 -7.178 -5.137 -0.457 216 1HD1 LEU 28 1HD1 LEU 28 -6.841 -6.306 1.683 217 2HD1 LEU 28 2HD1 LEU 28 -8.483 -6.979 1.562 218 3HD1 LEU 28 3HD1 LEU 28 -7.228 -7.485 0.405 219 1HD2 LEU 28 1HD2 LEU 28 -8.537 -6.854 -1.509 220 2HD2 LEU 28 2HD2 LEU 28 -9.843 -6.583 -0.341 221 3HD2 LEU 28 3HD2 LEU 28 -9.433 -5.335 -1.538 222 H GLN 29 HN GLN 29 -11.055 -4.993 3.023 223 HA GLN 29 HA GLN 29 -12.213 -2.807 4.308 224 1HB GLN 29 2HB GLN 29 -12.325 -4.224 6.271 225 2HB GLN 29 3HB GLN 29 -12.758 -5.079 4.786 226 1HG GLN 29 2HG GLN 29 -10.166 -5.720 4.804 227 2HG GLN 29 3HG GLN 29 -10.321 -5.384 6.526 228 1HE2 GLN 29 2HE2 GLN 29 -11.423 -6.957 7.825 229 2HE2 GLN 29 1HE2 GLN 29 -12.093 -8.429 7.140 230 H GLY 30 HN GLY 30 -11.233 -0.958 4.914 231 1HA GLY 30 1HA GLY 30 -10.061 -0.062 6.870 232 2HA GLY 30 2HA GLY 30 -8.672 -1.098 6.484 233 H VAL 31 HN VAL 31 -9.223 -0.494 3.475 234 HA VAL 31 HA VAL 31 -7.486 1.846 3.476 235 HB VAL 31 HB VAL 31 -8.394 -0.292 1.573 236 1HG1 VAL 31 1HG1 VAL 31 -8.736 1.682 0.209 237 2HG1 VAL 31 2HG1 VAL 31 -7.143 2.339 0.682 238 3HG1 VAL 31 3HG1 VAL 31 -7.259 0.863 -0.300 239 1HG2 VAL 31 1HG2 VAL 31 -6.356 -0.494 3.024 240 2HG2 VAL 31 2HG2 VAL 31 -5.944 -0.462 1.299 241 3HG2 VAL 31 3HG2 VAL 31 -5.707 0.980 2.281 242 H GLN 32 HN GLN 32 -7.950 3.795 2.780 243 HA GLN 32 HA GLN 32 -10.720 4.413 1.826 244 1HB GLN 32 2HB GLN 32 -9.040 5.684 3.831 245 2HB GLN 32 3HB GLN 32 -10.149 6.719 2.917 246 1HG GLN 32 2HG GLN 32 -11.166 4.139 4.167 247 2HG GLN 32 3HG GLN 32 -10.919 5.537 5.192 248 1HE2 GLN 32 2HE2 GLN 32 -12.570 6.995 5.398 249 2HE2 GLN 32 1HE2 GLN 32 -13.936 7.055 4.277 250 H ARG 33 HN ARG 33 -7.227 4.748 1.189 251 HA ARG 33 HA ARG 33 -7.940 5.480 -1.482 252 1HB ARG 33 2HB ARG 33 -7.446 7.650 0.360 253 2HB ARG 33 3HB ARG 33 -6.044 7.560 -0.703 254 1HG ARG 33 2HG ARG 33 -7.385 7.848 -2.669 255 2HG ARG 33 3HG ARG 33 -8.890 7.513 -1.787 256 1HD ARG 33 2HD ARG 33 -8.659 9.517 -0.462 257 2HD ARG 33 3HD ARG 33 -7.138 9.947 -1.289 258 HE ARG 33 HE ARG 33 -8.988 9.585 -3.326 259 1HH1 ARG 33 1HH2 ARG 33 -8.845 11.653 -0.472 260 2HH1 ARG 33 2HH2 ARG 33 -9.815 12.927 -1.141 261 1HH2 ARG 33 1HH1 ARG 33 -10.273 11.263 -4.261 262 2HH2 ARG 33 2HH1 ARG 33 -10.636 12.695 -3.359 263 H ILE 34 HN ILE 34 -5.965 5.632 -2.890 264 HA ILE 34 HA ILE 34 -3.481 4.801 -1.753 265 HB ILE 34 HB ILE 34 -4.533 2.623 -1.860 266 1HG1 ILE 34 2HG1 ILE 34 -2.621 2.842 -4.198 267 2HG1 ILE 34 3HG1 ILE 34 -2.097 3.039 -2.527 268 1HG2 ILE 34 1HG2 ILE 34 -4.972 2.978 -4.864 269 2HG2 ILE 34 2HG2 ILE 34 -5.441 1.613 -3.853 270 3HG2 ILE 34 3HG2 ILE 34 -6.255 3.150 -3.663 271 1HD1 ILE 34 1HD1 ILE 34 -3.417 0.508 -3.570 272 2HD1 ILE 34 2HD1 ILE 34 -1.680 0.761 -3.326 273 3HD1 ILE 34 3HD1 ILE 34 -2.783 0.817 -1.943 274 H LYS 35 HN LYS 35 -1.776 5.300 -3.116 275 HA LYS 35 HA LYS 35 -2.266 6.137 -5.917 276 1HB LYS 35 2HB LYS 35 -0.667 7.732 -3.844 277 2HB LYS 35 3HB LYS 35 -0.629 7.963 -5.581 278 1HG LYS 35 2HG LYS 35 -1.969 9.647 -4.892 279 2HG LYS 35 3HG LYS 35 -3.148 8.457 -5.449 280 1HD LYS 35 2HD LYS 35 -3.866 7.952 -3.268 281 2HD LYS 35 3HD LYS 35 -2.382 8.503 -2.497 282 1HE LYS 35 2HE LYS 35 -4.396 10.338 -3.894 283 2HE LYS 35 3HE LYS 35 -4.456 9.951 -2.168 284 1HZ LYS 35 1HZ LYS 35 -2.189 11.281 -3.501 285 2HZ LYS 35 2HZ LYS 35 -3.321 12.017 -2.567 286 3HZ LYS 35 3HZ LYS 35 -2.294 10.923 -1.899 287 H VAL 36 HN VAL 36 -1.004 4.571 -6.955 288 HA VAL 36 HA VAL 36 1.551 3.695 -5.631 289 HB VAL 36 HB VAL 36 -0.117 2.510 -7.853 290 1HG1 VAL 36 1HG1 VAL 36 2.497 1.501 -6.642 291 2HG1 VAL 36 2HG1 VAL 36 1.437 0.596 -7.752 292 3HG1 VAL 36 3HG1 VAL 36 2.276 2.052 -8.313 293 1HG2 VAL 36 1HG2 VAL 36 -0.474 0.706 -6.268 294 2HG2 VAL 36 2HG2 VAL 36 0.599 1.468 -5.076 295 3HG2 VAL 36 3HG2 VAL 36 -0.942 2.226 -5.496 296 H SER 37 HN SER 37 3.194 5.301 -6.115 297 HA SER 37 HA SER 37 3.400 6.482 -8.662 298 1HB SER 37 2HB SER 37 5.318 6.252 -6.331 299 2HB SER 37 3HB SER 37 5.311 7.397 -7.649 300 HG SER 37 HG SER 37 4.303 8.351 -5.868 301 H LEU 38 HN LEU 38 3.188 4.339 -9.727 302 HA LEU 38 HA LEU 38 5.259 2.478 -10.060 303 1HB LEU 38 2HB LEU 38 2.811 3.137 -11.280 304 2HB LEU 38 3HB LEU 38 3.966 3.449 -12.558 305 HG LEU 38 HG LEU 38 2.934 1.283 -12.624 306 1HD1 LEU 38 1HD1 LEU 38 5.282 1.608 -13.495 307 2HD1 LEU 38 2HD1 LEU 38 5.855 0.769 -12.018 308 3HD1 LEU 38 3HD1 LEU 38 4.801 -0.068 -13.154 309 1HD2 LEU 38 1HD2 LEU 38 2.691 0.795 -10.177 310 2HD2 LEU 38 2HD2 LEU 38 3.373 -0.539 -11.107 311 3HD2 LEU 38 3HD2 LEU 38 4.423 0.449 -10.089 312 H ASP 39 HN ASP 39 6.750 2.416 -12.008 313 HA ASP 39 HA ASP 39 8.759 2.939 -12.736 314 1HB ASP 39 2HB ASP 39 7.778 5.795 -12.686 315 2HB ASP 39 3HB ASP 39 9.371 5.292 -13.209 316 H ASN 40 HN ASN 40 7.764 5.357 -10.274 317 HA ASN 40 HA ASN 40 10.356 5.701 -9.442 318 1HB ASN 40 2HB ASN 40 8.291 7.196 -8.980 319 2HB ASN 40 3HB ASN 40 8.029 6.179 -7.565 320 1HD2 ASN 40 2HD2 ASN 40 8.875 7.178 -5.711 321 2HD2 ASN 40 1HD2 ASN 40 10.331 8.154 -5.723 322 H GLN 41 HN GLN 41 8.087 3.282 -8.613 323 HA GLN 41 HA GLN 41 8.083 1.357 -7.419 324 1HB GLN 41 2HB GLN 41 10.995 1.860 -6.666 325 2HB GLN 41 3HB GLN 41 10.092 0.331 -6.597 326 1HG GLN 41 2HG GLN 41 9.604 0.637 -9.040 327 2HG GLN 41 3HG GLN 41 10.748 1.979 -9.023 328 1HE2 GLN 41 2HE2 GLN 41 13.020 1.580 -8.592 329 2HE2 GLN 41 1HE2 GLN 41 13.698 -0.035 -8.741 330 H GLU 42 HN GLU 42 7.454 3.835 -6.438 331 HA GLU 42 HA GLU 42 7.581 3.439 -3.449 332 1HB GLU 42 2HB GLU 42 8.810 5.500 -4.486 333 2HB GLU 42 3HB GLU 42 7.179 6.112 -4.791 334 1HG GLU 42 2HG GLU 42 7.754 7.084 -2.759 335 2HG GLU 42 3HG GLU 42 6.751 5.715 -2.266 336 H ALA 43 HN ALA 43 5.496 3.701 -2.372 337 HA ALA 43 HA ALA 43 3.178 4.461 -4.061 338 1HB ALA 43 1HB ALA 43 3.342 2.039 -4.410 339 2HB ALA 43 2HB ALA 43 3.396 1.787 -2.652 340 3HB ALA 43 3HB ALA 43 1.928 2.441 -3.409 341 H THR 44 HN THR 44 1.242 4.868 -2.755 342 HA THR 44 HA THR 44 1.786 5.469 0.075 343 HB THR 44 HB THR 44 0.656 7.182 -2.146 344 HG1 THR 44 1HG THR 44 2.516 7.861 -0.172 345 1HG2 THR 44 1HG2 THR 44 0.408 7.449 0.863 346 2HG2 THR 44 2HG2 THR 44 0.259 8.848 -0.241 347 3HG2 THR 44 3HG2 THR 44 -0.893 7.506 -0.345 348 H ILE 45 HN ILE 45 0.336 3.898 1.056 349 HA ILE 45 HA ILE 45 -2.373 3.646 -0.116 350 HB ILE 45 HB ILE 45 -1.380 2.293 2.370 351 1HG1 ILE 45 2HG1 ILE 45 -1.058 1.410 -0.510 352 2HG1 ILE 45 3HG1 ILE 45 0.241 1.725 0.657 353 1HG2 ILE 45 1HG2 ILE 45 -3.863 2.309 1.878 354 2HG2 ILE 45 2HG2 ILE 45 -3.529 1.587 0.301 355 3HG2 ILE 45 3HG2 ILE 45 -3.210 0.705 1.804 356 1HD1 ILE 45 1HD1 ILE 45 -1.790 -0.497 0.801 357 2HD1 ILE 45 2HD1 ILE 45 -0.055 -0.630 0.598 358 3HD1 ILE 45 3HD1 ILE 45 -0.688 -0.005 2.134 359 H VAL 46 HN VAL 46 -4.250 4.252 1.429 360 HA VAL 46 HA VAL 46 -3.465 5.736 3.846 361 HB VAL 46 HB VAL 46 -5.012 6.550 1.509 362 1HG1 VAL 46 1HG1 VAL 46 -6.529 8.090 2.829 363 2HG1 VAL 46 2HG1 VAL 46 -6.957 6.388 2.996 364 3HG1 VAL 46 3HG1 VAL 46 -6.065 7.209 4.301 365 1HG2 VAL 46 1HG2 VAL 46 -3.745 8.189 3.664 366 2HG2 VAL 46 2HG2 VAL 46 -2.976 7.623 2.145 367 3HG2 VAL 46 3HG2 VAL 46 -4.340 8.751 2.087 368 H TYR 47 HN TYR 47 -4.236 4.707 5.607 369 HA TYR 47 HA TYR 47 -6.806 3.410 5.694 370 1HB TYR 47 2HB TYR 47 -6.122 1.135 6.064 371 2HB TYR 47 3HB TYR 47 -5.497 1.662 4.517 372 HD1 TYR 47 1HD TYR 47 -4.565 0.950 8.074 373 HD2 TYR 47 2HD TYR 47 -3.216 1.332 4.013 374 HE1 TYR 47 1HE TYR 47 -2.311 0.357 8.787 375 HE2 TYR 47 2HE TYR 47 -1.107 0.215 4.653 376 HH TYR 47 HH TYR 47 -0.187 -1.170 6.813 377 H GLN 48 HN GLN 48 -6.828 2.016 8.005 378 HA GLN 48 HA GLN 48 -5.184 3.393 9.982 379 1HB GLN 48 2HB GLN 48 -7.410 3.059 11.384 380 2HB GLN 48 3HB GLN 48 -7.140 4.538 10.428 381 1HG GLN 48 2HG GLN 48 -8.474 3.728 8.656 382 2HG GLN 48 3HG GLN 48 -8.545 2.092 9.349 383 1HE2 GLN 48 2HE2 GLN 48 -10.140 1.642 10.974 384 2HE2 GLN 48 1HE2 GLN 48 -11.306 2.856 11.468 385 HA PRO 49 HA PRO 49 -4.372 -0.648 11.548 386 1HB PRO 49 2HB PRO 49 -3.328 -0.064 13.987 387 2HB PRO 49 3HB PRO 49 -2.517 0.457 12.493 388 1HG PRO 49 2HG PRO 49 -4.376 2.118 14.203 389 2HG PRO 49 3HG PRO 49 -2.736 2.542 13.637 390 1HD PRO 49 2HD PRO 49 -4.967 3.340 12.302 391 2HD PRO 49 3HD PRO 49 -3.483 2.859 11.422 392 H HIS 50 HN HIS 50 -6.848 -0.710 11.414 393 HA HIS 50 HA HIS 50 -7.885 -1.641 14.029 394 1HB HIS 50 2HB HIS 50 -8.848 0.811 12.626 395 2HB HIS 50 3HB HIS 50 -10.118 -0.360 12.983 396 HD1 HIS 50 1HD HIS 50 -7.158 0.505 15.324 397 HD2 HIS 50 2HD HIS 50 -11.356 0.612 15.026 398 HE1 HIS 50 1HE HIS 50 -8.044 1.227 17.617 399 H LEU 51 HN LEU 51 -8.781 -1.050 10.587 400 HA LEU 51 HA LEU 51 -10.257 -3.593 10.536 401 1HB LEU 51 2HB LEU 51 -9.740 -1.353 8.605 402 2HB LEU 51 3HB LEU 51 -10.525 -2.847 8.067 403 HG LEU 51 HG LEU 51 -11.580 -1.234 10.417 404 1HD1 LEU 51 1HD1 LEU 51 -12.337 -0.942 7.487 405 2HD1 LEU 51 2HD1 LEU 51 -13.231 -0.243 8.854 406 3HD1 LEU 51 3HD1 LEU 51 -11.576 0.288 8.533 407 1HD2 LEU 51 1HD2 LEU 51 -13.706 -2.389 9.849 408 2HD2 LEU 51 2HD2 LEU 51 -12.891 -3.251 8.532 409 3HD2 LEU 51 3HD2 LEU 51 -12.441 -3.562 10.220 410 H ILE 52 HN ILE 52 -6.954 -2.457 9.819 411 HA ILE 52 HA ILE 52 -6.398 -5.099 8.651 412 HB ILE 52 HB ILE 52 -6.550 -3.216 7.027 413 1HG1 ILE 52 2HG1 ILE 52 -4.380 -3.727 5.974 414 2HG1 ILE 52 3HG1 ILE 52 -3.824 -4.569 7.399 415 1HG2 ILE 52 1HG2 ILE 52 -4.790 -1.589 6.947 416 2HG2 ILE 52 2HG2 ILE 52 -5.663 -1.485 8.494 417 3HG2 ILE 52 3HG2 ILE 52 -4.059 -2.251 8.429 418 1HD1 ILE 52 1HD1 ILE 52 -6.450 -5.268 6.009 419 2HD1 ILE 52 2HD1 ILE 52 -4.904 -5.960 5.457 420 3HD1 ILE 52 3HD1 ILE 52 -5.492 -6.280 7.099 421 H SER 53 HN SER 53 -4.376 -6.041 9.208 422 HA SER 53 HA SER 53 -3.522 -5.296 11.864 423 1HB SER 53 2HB SER 53 -2.419 -7.323 10.039 424 2HB SER 53 3HB SER 53 -2.102 -7.220 11.780 425 HG SER 53 HG SER 53 -4.502 -7.877 10.446 426 H VAL 54 HN VAL 54 -2.937 -3.428 9.707 427 HA VAL 54 HA VAL 54 -1.457 -1.874 9.117 428 HB VAL 54 HB VAL 54 -0.584 -2.589 11.717 429 1HG1 VAL 54 1HG1 VAL 54 1.819 -1.971 11.602 430 2HG1 VAL 54 2HG1 VAL 54 1.508 -3.555 10.896 431 3HG1 VAL 54 3HG1 VAL 54 1.761 -2.138 9.836 432 1HG2 VAL 54 1HG2 VAL 54 0.111 -0.274 11.767 433 2HG2 VAL 54 2HG2 VAL 54 0.143 -0.228 9.988 434 3HG2 VAL 54 3HG2 VAL 54 -1.400 -0.437 10.842 435 H GLU 55 HN GLU 55 0.313 -4.879 9.679 436 HA GLU 55 HA GLU 55 1.961 -4.415 7.368 437 1HB GLU 55 2HB GLU 55 2.209 -5.915 9.696 438 2HB GLU 55 3HB GLU 55 1.927 -7.131 8.455 439 1HG GLU 55 2HG GLU 55 3.772 -5.955 7.080 440 2HG GLU 55 3HG GLU 55 4.047 -4.913 8.482 441 H GLU 56 HN GLU 56 -0.995 -6.391 8.041 442 HA GLU 56 HA GLU 56 -0.889 -8.204 5.959 443 1HB GLU 56 2HB GLU 56 -3.110 -6.651 7.259 444 2HB GLU 56 3HB GLU 56 -3.470 -7.671 5.865 445 1HG GLU 56 2HG GLU 56 -2.708 -9.643 6.942 446 2HG GLU 56 3HG GLU 56 -2.140 -8.743 8.358 447 H MET 57 HN MET 57 -2.214 -4.868 5.708 448 HA MET 57 HA MET 57 -2.964 -4.790 3.097 449 1HB MET 57 2HB MET 57 -2.336 -2.936 5.234 450 2HB MET 57 3HB MET 57 -1.581 -2.310 3.757 451 1HG MET 57 2HG MET 57 -4.473 -3.210 3.995 452 2HG MET 57 3HG MET 57 -3.913 -1.554 4.094 453 1HE MET 57 1HE MET 57 -5.737 -3.431 0.689 454 2HE MET 57 2HE MET 57 -5.400 -4.283 2.197 455 3HE MET 57 3HE MET 57 -6.253 -2.729 2.242 456 H LYS 58 HN LYS 58 0.352 -4.170 4.296 457 HA LYS 58 HA LYS 58 1.484 -3.829 1.614 458 1HB LYS 58 2HB LYS 58 2.533 -2.897 3.794 459 2HB LYS 58 3HB LYS 58 2.699 -4.548 4.379 460 1HG LYS 58 2HG LYS 58 4.857 -4.083 3.608 461 2HG LYS 58 3HG LYS 58 4.188 -5.043 2.355 462 1HD LYS 58 2HD LYS 58 3.393 -2.357 1.730 463 2HD LYS 58 3HD LYS 58 5.037 -2.228 2.306 464 1HE LYS 58 2HE LYS 58 5.193 -2.586 -0.044 465 2HE LYS 58 3HE LYS 58 5.655 -4.125 0.734 466 1HZ LYS 58 1HZ LYS 58 3.029 -3.497 -0.413 467 2HZ LYS 58 2HZ LYS 58 4.151 -4.496 -1.070 468 3HZ LYS 58 3HZ LYS 58 3.398 -4.924 0.322 469 H LYS 59 HN LYS 59 1.327 -6.491 3.970 470 HA LYS 59 HA LYS 59 3.058 -8.131 2.408 471 1HB LYS 59 2HB LYS 59 1.115 -8.833 4.650 472 2HB LYS 59 3HB LYS 59 2.304 -9.945 3.960 473 1HG LYS 59 2HG LYS 59 2.905 -7.376 5.495 474 2HG LYS 59 3HG LYS 59 3.222 -9.032 5.987 475 1HD LYS 59 2HD LYS 59 4.628 -9.091 3.716 476 2HD LYS 59 3HD LYS 59 4.619 -7.321 3.899 477 1HE LYS 59 2HE LYS 59 5.829 -7.423 5.936 478 2HE LYS 59 3HE LYS 59 5.530 -9.158 6.153 479 1HZ LYS 59 1HZ LYS 59 7.014 -8.193 3.814 480 2HZ LYS 59 2HZ LYS 59 7.778 -8.533 5.261 481 3HZ LYS 59 3HZ LYS 59 6.940 -9.676 4.410 482 H GLN 60 HN GLN 60 -0.407 -7.560 2.147 483 HA GLN 60 HA GLN 60 -0.873 -9.862 0.513 484 1HB GLN 60 2HB GLN 60 -2.939 -9.173 0.306 485 2HB GLN 60 3HB GLN 60 -2.542 -8.038 1.589 486 1HG GLN 60 2HG GLN 60 -2.066 -6.317 -0.121 487 2HG GLN 60 3HG GLN 60 -2.451 -7.477 -1.409 488 1HE2 GLN 60 2HE2 GLN 60 -4.619 -7.835 -1.951 489 2HE2 GLN 60 1HE2 GLN 60 -5.928 -6.976 -1.152 490 H ILE 61 HN ILE 61 0.231 -6.565 -0.169 491 HA ILE 61 HA ILE 61 0.444 -6.893 -2.979 492 HB ILE 61 HB ILE 61 1.667 -4.982 -1.116 493 1HG1 ILE 61 2HG1 ILE 61 0.633 -3.530 -3.204 494 2HG1 ILE 61 3HG1 ILE 61 -0.452 -4.913 -3.214 495 1HG2 ILE 61 1HG2 ILE 61 3.531 -5.465 -2.775 496 2HG2 ILE 61 2HG2 ILE 61 2.377 -5.243 -4.093 497 3HG2 ILE 61 3HG2 ILE 61 2.841 -3.875 -3.068 498 1HD1 ILE 61 1HD1 ILE 61 0.223 -3.222 -0.755 499 2HD1 ILE 61 2HD1 ILE 61 -1.196 -2.999 -1.790 500 3HD1 ILE 61 3HD1 ILE 61 -1.001 -4.506 -0.876 501 H GLU 62 HN GLU 62 2.736 -7.627 -0.335 502 HA GLU 62 HA GLU 62 4.956 -8.351 -2.016 503 1HB GLU 62 2HB GLU 62 4.295 -9.385 0.772 504 2HB GLU 62 3HB GLU 62 5.842 -9.481 -0.079 505 1HG GLU 62 2HG GLU 62 5.836 -6.966 -0.259 506 2HG GLU 62 3HG GLU 62 4.409 -6.925 0.763 507 H ALA 63 HN ALA 63 2.329 -10.219 -0.496 508 HA ALA 63 HA ALA 63 2.944 -12.765 -1.485 509 1HB ALA 63 1HB ALA 63 0.248 -11.601 -0.710 510 2HB ALA 63 2HB ALA 63 0.655 -13.328 -0.811 511 3HB ALA 63 3HB ALA 63 1.445 -12.292 0.401 512 H MET 64 HN MET 64 1.240 -10.094 -3.185 513 HA MET 64 HA MET 64 0.133 -11.625 -5.294 514 1HB MET 64 2HB MET 64 1.512 -8.919 -5.529 515 2HB MET 64 3HB MET 64 0.435 -9.651 -6.702 516 1HG MET 64 2HG MET 64 -0.360 -8.828 -3.915 517 2HG MET 64 3HG MET 64 -0.665 -7.887 -5.351 518 1HE MET 64 1HE MET 64 -2.643 -8.181 -6.903 519 2HE MET 64 2HE MET 64 -1.843 -9.657 -7.504 520 3HE MET 64 3HE MET 64 -3.567 -9.692 -7.067 521 H GLY 65 HN GLY 65 3.509 -10.803 -4.549 522 1HA GLY 65 1HA GLY 65 4.819 -12.815 -5.544 523 2HA GLY 65 2HA GLY 65 4.485 -12.017 -7.092 524 H PHE 66 HN PHE 66 4.648 -9.320 -6.207 525 HA PHE 66 HA PHE 66 7.469 -9.024 -6.661 526 1HB PHE 66 2HB PHE 66 5.226 -7.037 -6.207 527 2HB PHE 66 3HB PHE 66 6.858 -6.562 -6.606 528 HD1 PHE 66 1HD PHE 66 3.724 -7.116 -8.051 529 HD2 PHE 66 2HD PHE 66 7.871 -8.102 -8.718 530 HE1 PHE 66 1HE PHE 66 3.291 -7.345 -10.480 531 HE2 PHE 66 2HE PHE 66 7.439 -8.322 -11.121 532 HZ PHE 66 HZ PHE 66 5.147 -7.942 -12.027 533 HA PRO 67 HA PRO 67 8.138 -8.921 -2.163 534 1HB PRO 67 2HB PRO 67 10.862 -8.839 -2.078 535 2HB PRO 67 3HB PRO 67 9.943 -10.314 -2.494 536 1HG PRO 67 2HG PRO 67 11.212 -8.336 -4.401 537 2HG PRO 67 3HG PRO 67 11.343 -10.117 -4.424 538 1HD PRO 67 2HD PRO 67 9.571 -8.754 -5.983 539 2HD PRO 67 3HD PRO 67 9.158 -10.350 -5.284 540 H ALA 68 HN ALA 68 7.508 -7.046 -1.313 541 HA ALA 68 HA ALA 68 8.803 -4.460 -2.093 542 1HB ALA 68 1HB ALA 68 5.928 -5.228 -1.493 543 2HB ALA 68 2HB ALA 68 6.471 -3.558 -1.687 544 3HB ALA 68 3HB ALA 68 6.595 -4.700 -3.032 545 H PHE 69 HN PHE 69 7.656 -2.883 -0.008 546 HA PHE 69 HA PHE 69 8.192 -4.147 2.508 547 1HB PHE 69 2HB PHE 69 10.509 -3.416 1.092 548 2HB PHE 69 3HB PHE 69 10.248 -2.032 2.126 549 HD1 PHE 69 1HD PHE 69 11.193 -5.553 1.929 550 HD2 PHE 69 2HD PHE 69 10.184 -2.369 4.660 551 HE1 PHE 69 1HE PHE 69 12.178 -6.835 3.781 552 HE2 PHE 69 2HE PHE 69 11.062 -3.708 6.542 553 HZ PHE 69 HZ PHE 69 12.086 -5.939 6.119 554 H VAL 70 HN VAL 70 7.434 -3.065 4.212 555 HA VAL 70 HA VAL 70 6.145 -0.464 3.725 556 HB VAL 70 HB VAL 70 4.880 -2.329 4.748 557 1HG1 VAL 70 1HG1 VAL 70 5.173 -2.754 7.082 558 2HG1 VAL 70 2HG1 VAL 70 6.749 -2.979 6.269 559 3HG1 VAL 70 3HG1 VAL 70 6.424 -1.486 7.185 560 1HG2 VAL 70 1HG2 VAL 70 4.096 -0.067 4.729 561 2HG2 VAL 70 2HG2 VAL 70 3.693 -0.873 6.261 562 3HG2 VAL 70 3HG2 VAL 70 5.014 0.315 6.210 563 H LYS 71 HN LYS 71 6.806 1.389 4.590 564 HA LYS 71 HA LYS 71 9.389 1.490 6.007 565 1HB LYS 71 2HB LYS 71 7.611 3.709 5.048 566 2HB LYS 71 3HB LYS 71 9.157 3.903 5.899 567 1HG LYS 71 2HG LYS 71 10.331 2.596 4.142 568 2HG LYS 71 3HG LYS 71 8.801 2.263 3.343 569 1HD LYS 71 2HD LYS 71 9.821 3.997 2.110 570 2HD LYS 71 3HD LYS 71 8.393 4.608 2.945 571 1HE LYS 71 2HE LYS 71 10.204 6.266 3.028 572 2HE LYS 71 3HE LYS 71 9.812 5.711 4.657 573 1HZ LYS 71 1HZ LYS 71 12.083 4.777 3.014 574 2HZ LYS 71 2HZ LYS 71 12.177 5.827 4.275 575 3HZ LYS 71 3HZ LYS 71 11.740 4.268 4.543 576 H LYS 72 HN LYS 72 6.532 3.529 6.892 577 HA LYS 72 HA LYS 72 6.017 2.059 9.287 578 1HB LYS 72 2HB LYS 72 8.151 3.586 9.759 579 2HB LYS 72 3HB LYS 72 6.958 4.892 9.821 580 1HG LYS 72 2HG LYS 72 5.707 3.496 11.574 581 2HG LYS 72 3HG LYS 72 7.051 2.341 11.499 582 1HD LYS 72 2HD LYS 72 8.600 4.211 12.179 583 2HD LYS 72 3HD LYS 72 7.180 5.277 12.314 584 1HE LYS 72 2HE LYS 72 6.189 3.623 13.980 585 2HE LYS 72 3HE LYS 72 7.707 2.713 13.910 586 1HZ LYS 72 1HZ LYS 72 7.385 5.492 14.842 587 2HZ LYS 72 2HZ LYS 72 7.655 4.172 15.779 588 3HZ LYS 72 3HZ LYS 72 8.825 4.691 14.746 589 H ILE 73 HN ILE 73 4.074 2.971 10.404 590 HA ILE 73 HA ILE 73 2.606 5.118 9.164 591 HB ILE 73 HB ILE 73 1.913 3.469 7.726 592 1HG1 ILE 73 2HG1 ILE 73 0.177 4.716 9.102 593 2HG1 ILE 73 3HG1 ILE 73 -0.281 3.506 7.900 594 1HG2 ILE 73 1HG2 ILE 73 2.948 1.544 8.656 595 2HG2 ILE 73 2HG2 ILE 73 1.842 1.558 10.045 596 3HG2 ILE 73 3HG2 ILE 73 1.245 1.188 8.400 597 1HD1 ILE 73 1HD1 ILE 73 -0.110 2.849 10.853 598 2HD1 ILE 73 2HD1 ILE 73 -1.593 3.278 9.971 599 3HD1 ILE 73 3HD1 ILE 73 -0.673 1.839 9.514 600 H GLU 74 HN GLU 74 0.965 5.856 10.740 601 HA GLU 74 HA GLU 74 0.147 4.169 12.822 602 1HB GLU 74 2HB GLU 74 2.437 5.885 13.444 603 2HB GLU 74 3HB GLU 74 1.036 6.619 14.224 604 1HG GLU 74 2HG GLU 74 1.809 3.687 14.552 605 2HG GLU 74 3HG GLU 74 2.331 4.987 15.635 606 H GLY 75 HN GLY 75 -1.675 5.031 13.937 607 1HA GLY 75 1HA GLY 75 -3.105 6.971 12.119 608 2HA GLY 75 2HA GLY 75 -3.756 5.400 12.574 609 H ARG 76 HN ARG 76 -4.259 8.466 13.092 610 HA ARG 76 HA ARG 76 -4.177 9.019 15.805 611 1HB ARG 76 2HB ARG 76 -4.651 10.546 13.825 612 2HB ARG 76 3HB ARG 76 -6.321 9.942 13.848 613 1HG ARG 76 2HG ARG 76 -6.543 10.776 16.210 614 2HG ARG 76 3HG ARG 76 -4.875 11.382 16.110 615 1HD ARG 76 2HD ARG 76 -5.594 12.712 14.065 616 2HD ARG 76 3HD ARG 76 -7.275 12.239 14.434 617 HE ARG 76 HE ARG 76 -6.225 13.311 16.795 618 1HH1 ARG 76 1HH2 ARG 76 -6.928 14.407 13.530 619 2HH1 ARG 76 2HH2 ARG 76 -7.017 16.098 13.914 620 1HH2 ARG 76 1HH1 ARG 76 -6.320 15.561 17.376 621 2HH2 ARG 76 2HH1 ARG 76 -6.682 16.764 16.181 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -10.940 8.921 7.863 2 2H GLY 1 2H GLY 1 -11.476 10.083 8.952 3 3H GLY 1 3H GLY 1 -9.954 10.067 8.259 4 1HA GLY 1 1HA GLY 1 -9.657 9.279 10.488 5 2HA GLY 1 2HA GLY 1 -10.980 8.124 10.227 6 H GLU 2 HN GLU 2 -7.812 9.105 8.726 7 HA GLU 2 HA GLU 2 -6.910 6.379 8.456 8 1HB GLU 2 2HB GLU 2 -6.845 6.502 5.983 9 2HB GLU 2 3HB GLU 2 -8.485 6.439 6.605 10 1HG GLU 2 2HG GLU 2 -7.105 8.992 5.643 11 2HG GLU 2 3HG GLU 2 -8.249 8.023 4.706 12 H VAL 3 HN VAL 3 -4.664 6.387 7.660 13 HA VAL 3 HA VAL 3 -3.304 8.985 7.854 14 HB VAL 3 HB VAL 3 -1.553 7.467 9.036 15 1HG1 VAL 3 1HG1 VAL 3 -2.380 8.314 11.191 16 2HG1 VAL 3 2HG1 VAL 3 -2.583 9.552 9.951 17 3HG1 VAL 3 3HG1 VAL 3 -3.987 8.600 10.489 18 1HG2 VAL 3 1HG2 VAL 3 -2.473 5.757 10.423 19 2HG2 VAL 3 2HG2 VAL 3 -4.134 6.228 9.970 20 3HG2 VAL 3 3HG2 VAL 3 -3.049 5.492 8.772 21 H VAL 4 HN VAL 4 -1.331 9.103 6.716 22 HA VAL 4 HA VAL 4 -1.322 7.552 4.290 23 HB VAL 4 HB VAL 4 0.225 9.916 5.417 24 1HG1 VAL 4 1HG1 VAL 4 0.720 8.437 2.832 25 2HG1 VAL 4 2HG1 VAL 4 1.253 10.110 3.127 26 3HG1 VAL 4 3HG1 VAL 4 1.881 8.794 4.130 27 1HG2 VAL 4 1HG2 VAL 4 -2.087 10.319 4.594 28 2HG2 VAL 4 2HG2 VAL 4 -0.886 11.107 3.560 29 3HG2 VAL 4 3HG2 VAL 4 -1.653 9.598 3.029 30 H LEU 5 HN LEU 5 -0.015 5.929 3.763 31 HA LEU 5 HA LEU 5 2.339 5.218 5.478 32 1HB LEU 5 2HB LEU 5 0.741 3.532 5.715 33 2HB LEU 5 3HB LEU 5 0.304 3.564 4.005 34 HG LEU 5 HG LEU 5 2.447 2.579 3.339 35 1HD1 LEU 5 1HD1 LEU 5 3.188 2.013 6.198 36 2HD1 LEU 5 2HD1 LEU 5 4.176 1.966 4.747 37 3HD1 LEU 5 3HD1 LEU 5 3.772 3.514 5.476 38 1HD2 LEU 5 1HD2 LEU 5 2.001 0.373 4.648 39 2HD2 LEU 5 2HD2 LEU 5 0.801 1.335 5.491 40 3HD2 LEU 5 3HD2 LEU 5 0.681 1.105 3.729 41 H LYS 6 HN LYS 6 4.200 5.220 4.393 42 HA LYS 6 HA LYS 6 4.304 5.381 1.426 43 1HB LYS 6 2HB LYS 6 5.627 6.970 2.967 44 2HB LYS 6 3HB LYS 6 6.618 5.574 3.385 45 1HG LYS 6 2HG LYS 6 7.873 6.164 1.560 46 2HG LYS 6 3HG LYS 6 6.619 5.366 0.630 47 1HD LYS 6 2HD LYS 6 6.828 7.441 -0.402 48 2HD LYS 6 3HD LYS 6 5.386 7.645 0.609 49 1HE LYS 6 2HE LYS 6 6.928 8.703 2.384 50 2HE LYS 6 3HE LYS 6 8.267 8.516 1.241 51 1HZ LYS 6 1HZ LYS 6 5.862 10.149 0.798 52 2HZ LYS 6 2HZ LYS 6 7.356 10.714 1.193 53 3HZ LYS 6 3HZ LYS 6 7.118 9.976 -0.258 54 H MET 7 HN MET 7 4.469 3.398 0.433 55 HA MET 7 HA MET 7 6.005 1.236 1.801 56 1HB MET 7 2HB MET 7 4.639 -0.393 0.844 57 2HB MET 7 3HB MET 7 3.523 0.745 1.595 58 1HG MET 7 2HG MET 7 3.052 1.735 -0.599 59 2HG MET 7 3HG MET 7 4.277 0.693 -1.353 60 1HE MET 7 1HE MET 7 4.221 -1.925 -1.233 61 2HE MET 7 2HE MET 7 3.361 -2.161 0.307 62 3HE MET 7 3HE MET 7 2.694 -2.839 -1.190 63 H LYS 8 HN LYS 8 7.169 -0.104 0.347 64 HA LYS 8 HA LYS 8 8.120 1.199 -2.162 65 1HB LYS 8 2HB LYS 8 9.421 -0.356 0.025 66 2HB LYS 8 3HB LYS 8 9.825 -0.928 -1.584 67 1HG LYS 8 2HG LYS 8 10.130 1.971 -0.672 68 2HG LYS 8 3HG LYS 8 11.412 0.741 -0.692 69 1HD LYS 8 2HD LYS 8 10.507 0.495 -3.260 70 2HD LYS 8 3HD LYS 8 10.096 2.189 -2.968 71 1HE LYS 8 2HE LYS 8 12.453 2.664 -2.363 72 2HE LYS 8 3HE LYS 8 12.858 0.943 -2.575 73 1HZ LYS 8 1HZ LYS 8 11.893 2.709 -4.723 74 2HZ LYS 8 2HZ LYS 8 13.435 2.128 -4.527 75 3HZ LYS 8 3HZ LYS 8 12.210 1.096 -4.850 76 H VAL 9 HN VAL 9 7.563 0.172 -3.999 77 HA VAL 9 HA VAL 9 6.383 -2.578 -3.910 78 HB VAL 9 HB VAL 9 5.646 -0.332 -5.839 79 1HG1 VAL 9 1HG1 VAL 9 5.336 -2.664 -6.701 80 2HG1 VAL 9 2HG1 VAL 9 4.380 -3.060 -5.263 81 3HG1 VAL 9 3HG1 VAL 9 3.789 -1.854 -6.424 82 1HG2 VAL 9 1HG2 VAL 9 4.114 -1.362 -3.426 83 2HG2 VAL 9 2HG2 VAL 9 4.811 0.267 -3.613 84 3HG2 VAL 9 3HG2 VAL 9 3.478 -0.254 -4.652 85 H GLU 10 HN GLU 10 8.787 -2.986 -3.999 86 HA GLU 10 HA GLU 10 10.247 -2.208 -6.373 87 1HB GLU 10 2HB GLU 10 10.801 -4.382 -4.358 88 2HB GLU 10 3HB GLU 10 11.946 -3.788 -5.573 89 1HG GLU 10 2HG GLU 10 10.685 -1.921 -3.509 90 2HG GLU 10 3HG GLU 10 12.140 -2.853 -3.207 91 H GLY 11 HN GLY 11 11.053 -3.813 -8.014 92 1HA GLY 11 1HA GLY 11 10.954 -5.758 -9.271 93 2HA GLY 11 2HA GLY 11 9.691 -6.398 -8.220 94 H MET 12 HN MET 12 7.766 -4.233 -8.532 95 HA MET 12 HA MET 12 6.639 -4.848 -11.147 96 1HB MET 12 2HB MET 12 5.913 -2.746 -9.070 97 2HB MET 12 3HB MET 12 5.036 -3.013 -10.584 98 1HG MET 12 2HG MET 12 4.603 -5.362 -9.939 99 2HG MET 12 3HG MET 12 5.403 -5.065 -8.385 100 1HE MET 12 1HE MET 12 3.283 -6.059 -7.205 101 2HE MET 12 2HE MET 12 1.635 -5.445 -7.398 102 3HE MET 12 3HE MET 12 2.421 -6.272 -8.758 103 H THR 13 HN THR 13 8.555 -4.333 -12.470 104 HA THR 13 HA THR 13 9.104 -1.462 -12.916 105 HB THR 13 HB THR 13 10.843 -2.517 -14.454 106 HG1 THR 13 1HG THR 13 11.112 -4.773 -14.121 107 1HG2 THR 13 1HG2 THR 13 10.868 -3.441 -11.542 108 2HG2 THR 13 2HG2 THR 13 12.274 -3.257 -12.608 109 3HG2 THR 13 3HG2 THR 13 11.349 -1.831 -12.108 110 H CYS 14 HN CYS 14 6.426 -2.641 -13.664 111 HA CYS 14 HA CYS 14 6.468 -1.992 -16.591 112 1HB CYS 14 2HB CYS 14 5.817 -4.343 -16.287 113 2HB CYS 14 3HB CYS 14 4.595 -3.836 -15.097 114 HG CYS 14 HG CYS 14 3.269 -4.301 -17.198 115 H HIS 15 HN HIS 15 5.620 0.017 -16.846 116 HA HIS 15 HA HIS 15 4.603 1.591 -14.857 117 1HB HIS 15 2HB HIS 15 5.380 2.322 -17.098 118 2HB HIS 15 3HB HIS 15 3.829 1.812 -17.779 119 HD1 HIS 15 1HD HIS 15 5.250 4.389 -15.206 120 HD2 HIS 15 2HD HIS 15 1.849 3.560 -17.582 121 HE1 HIS 15 1HE HIS 15 3.695 6.389 -15.002 122 H SER 16 HN SER 16 2.728 -0.608 -16.921 123 HA SER 16 HA SER 16 0.159 0.225 -15.739 124 1HB SER 16 2HB SER 16 0.508 -0.464 -18.152 125 2HB SER 16 3HB SER 16 0.696 -2.132 -17.558 126 HG SER 16 HG SER 16 -1.469 -1.791 -18.055 127 H CYS 17 HN CYS 17 1.641 -0.354 -13.650 128 HA CYS 17 HA CYS 17 0.237 -2.727 -12.553 129 1HB CYS 17 2HB CYS 17 3.254 -2.367 -12.358 130 2HB CYS 17 3HB CYS 17 2.310 -3.258 -11.160 131 HG CYS 17 HG CYS 17 3.401 -4.984 -12.609 132 H THR 18 HN THR 18 -0.607 -0.201 -12.505 133 HA THR 18 HA THR 18 -0.319 0.544 -9.614 134 HB THR 18 HB THR 18 -1.075 2.832 -10.458 135 HG1 THR 18 1HG THR 18 -0.700 3.126 -12.760 136 1HG2 THR 18 1HG2 THR 18 1.499 1.813 -11.708 137 2HG2 THR 18 2HG2 THR 18 1.113 3.511 -11.326 138 3HG2 THR 18 3HG2 THR 18 1.323 2.335 -10.017 139 H SER 19 HN SER 19 -2.581 1.340 -12.190 140 HA SER 19 HA SER 19 -4.682 1.414 -10.541 141 1HB SER 19 2HB SER 19 -4.591 2.225 -12.944 142 2HB SER 19 3HB SER 19 -4.977 0.570 -13.469 143 HG SER 19 HG SER 19 -6.794 2.082 -13.239 144 H THR 20 HN THR 20 -3.953 -1.582 -12.254 145 HA THR 20 HA THR 20 -5.996 -3.166 -11.171 146 HB THR 20 HB THR 20 -3.123 -3.627 -12.017 147 HG1 THR 20 1HG THR 20 -4.301 -4.986 -13.481 148 1HG2 THR 20 1HG2 THR 20 -4.860 -5.672 -10.619 149 2HG2 THR 20 2HG2 THR 20 -3.462 -6.080 -11.654 150 3HG2 THR 20 3HG2 THR 20 -3.221 -5.132 -10.183 151 H ILE 21 HN ILE 21 -2.837 -2.338 -9.640 152 HA ILE 21 HA ILE 21 -3.387 -3.810 -7.233 153 HB ILE 21 HB ILE 21 -1.319 -1.771 -8.151 154 1HG1 ILE 21 2HG1 ILE 21 0.045 -3.863 -7.256 155 2HG1 ILE 21 3HG1 ILE 21 -1.436 -4.742 -7.612 156 1HG2 ILE 21 1HG2 ILE 21 -1.761 -1.213 -5.805 157 2HG2 ILE 21 2HG2 ILE 21 -1.398 -2.903 -5.359 158 3HG2 ILE 21 3HG2 ILE 21 -0.158 -1.862 -6.122 159 1HD1 ILE 21 1HD1 ILE 21 0.356 -3.142 -9.447 160 2HD1 ILE 21 2HD1 ILE 21 0.007 -4.871 -9.533 161 3HD1 ILE 21 3HD1 ILE 21 -1.240 -3.693 -9.990 162 H GLU 22 HN GLU 22 -3.772 -0.362 -8.226 163 HA GLU 22 HA GLU 22 -4.390 0.593 -5.654 164 1HB GLU 22 2HB GLU 22 -5.052 1.601 -8.444 165 2HB GLU 22 3HB GLU 22 -5.365 2.543 -7.005 166 1HG GLU 22 2HG GLU 22 -2.994 2.471 -6.382 167 2HG GLU 22 3HG GLU 22 -2.604 1.440 -7.754 168 H GLY 23 HN GLY 23 -6.531 0.035 -8.356 169 1HA GLY 23 1HA GLY 23 -9.079 0.069 -7.242 170 2HA GLY 23 2HA GLY 23 -8.598 -0.984 -8.584 171 H LYS 24 HN LYS 24 -7.011 -2.919 -7.583 172 HA LYS 24 HA LYS 24 -8.830 -4.633 -6.264 173 1HB LYS 24 2HB LYS 24 -7.028 -5.437 -7.650 174 2HB LYS 24 3HB LYS 24 -5.801 -4.794 -6.555 175 1HG LYS 24 2HG LYS 24 -7.746 -6.687 -5.295 176 2HG LYS 24 3HG LYS 24 -6.751 -7.374 -6.584 177 1HD LYS 24 2HD LYS 24 -4.691 -6.593 -5.497 178 2HD LYS 24 3HD LYS 24 -5.635 -5.874 -4.175 179 1HE LYS 24 2HE LYS 24 -6.485 -8.089 -3.524 180 2HE LYS 24 3HE LYS 24 -5.660 -8.849 -4.897 181 1HZ LYS 24 1HZ LYS 24 -4.257 -7.450 -2.715 182 2HZ LYS 24 2HZ LYS 24 -4.472 -9.075 -2.804 183 3HZ LYS 24 3HZ LYS 24 -3.571 -8.321 -3.944 184 H ILE 25 HN ILE 25 -5.941 -2.934 -4.908 185 HA ILE 25 HA ILE 25 -6.361 -3.818 -2.247 186 HB ILE 25 HB ILE 25 -4.853 -1.553 -3.580 187 1HG1 ILE 25 2HG1 ILE 25 -4.053 -3.837 -4.104 188 2HG1 ILE 25 3HG1 ILE 25 -2.874 -2.764 -3.348 189 1HG2 ILE 25 1HG2 ILE 25 -3.545 -1.389 -1.440 190 2HG2 ILE 25 2HG2 ILE 25 -5.112 -0.565 -1.604 191 3HG2 ILE 25 3HG2 ILE 25 -5.008 -2.073 -0.681 192 1HD1 ILE 25 1HD1 ILE 25 -4.518 -4.865 -1.912 193 2HD1 ILE 25 2HD1 ILE 25 -2.827 -5.045 -2.430 194 3HD1 ILE 25 3HD1 ILE 25 -3.255 -3.818 -1.212 195 H GLY 26 HN GLY 26 -7.679 -1.101 -4.065 196 1HA GLY 26 1HA GLY 26 -8.878 0.393 -2.024 197 2HA GLY 26 2HA GLY 26 -9.473 0.204 -3.674 198 H LYS 27 HN LYS 27 -9.650 -2.922 -2.948 199 HA LYS 27 HA LYS 27 -12.440 -2.748 -1.976 200 1HB LYS 27 2HB LYS 27 -10.831 -4.566 -3.624 201 2HB LYS 27 3HB LYS 27 -11.739 -5.425 -2.410 202 1HG LYS 27 2HG LYS 27 -13.110 -3.292 -4.091 203 2HG LYS 27 3HG LYS 27 -12.622 -4.807 -4.831 204 1HD LYS 27 2HD LYS 27 -13.850 -5.984 -2.818 205 2HD LYS 27 3HD LYS 27 -14.548 -4.398 -2.508 206 1HE LYS 27 2HE LYS 27 -16.106 -5.709 -3.824 207 2HE LYS 27 3HE LYS 27 -15.499 -4.396 -4.842 208 1HZ LYS 27 1HZ LYS 27 -14.518 -7.185 -4.881 209 2HZ LYS 27 2HZ LYS 27 -15.559 -6.533 -5.971 210 3HZ LYS 27 3HZ LYS 27 -14.019 -5.979 -5.883 211 H LEU 28 HN LEU 28 -9.205 -3.175 -0.643 212 HA LEU 28 HA LEU 28 -9.855 -5.230 1.093 213 1HB LEU 28 2HB LEU 28 -7.661 -3.165 1.152 214 2HB LEU 28 3HB LEU 28 -7.771 -4.547 2.229 215 HG LEU 28 HG LEU 28 -6.427 -4.482 -0.193 216 1HD1 LEU 28 1HD1 LEU 28 -5.949 -5.786 1.830 217 2HD1 LEU 28 2HD1 LEU 28 -7.361 -6.807 1.487 218 3HD1 LEU 28 3HD1 LEU 28 -5.955 -6.817 0.384 219 1HD2 LEU 28 1HD2 LEU 28 -8.782 -6.379 -0.404 220 2HD2 LEU 28 2HD2 LEU 28 -8.477 -4.988 -1.474 221 3HD2 LEU 28 3HD2 LEU 28 -7.362 -6.353 -1.471 222 H GLN 29 HN GLN 29 -10.374 -5.275 3.225 223 HA GLN 29 HA GLN 29 -11.894 -3.207 4.396 224 1HB GLN 29 2HB GLN 29 -12.039 -4.616 6.336 225 2HB GLN 29 3HB GLN 29 -12.224 -5.527 4.831 226 1HG GLN 29 2HG GLN 29 -9.599 -5.895 5.118 227 2HG GLN 29 3HG GLN 29 -9.941 -5.494 6.804 228 1HE2 GLN 29 2HE2 GLN 29 -8.940 -7.835 6.824 229 2HE2 GLN 29 1HE2 GLN 29 -10.109 -9.143 6.737 230 H GLY 30 HN GLY 30 -11.150 -1.274 5.045 231 1HA GLY 30 1HA GLY 30 -10.091 -0.170 6.959 232 2HA GLY 30 2HA GLY 30 -8.624 -1.116 6.669 233 H VAL 31 HN VAL 31 -9.209 -0.687 3.575 234 HA VAL 31 HA VAL 31 -7.464 1.641 3.475 235 HB VAL 31 HB VAL 31 -8.421 -0.523 1.637 236 1HG1 VAL 31 1HG1 VAL 31 -8.790 1.378 0.231 237 2HG1 VAL 31 2HG1 VAL 31 -7.217 2.101 0.681 238 3HG1 VAL 31 3HG1 VAL 31 -7.280 0.598 -0.267 239 1HG2 VAL 31 1HG2 VAL 31 -6.334 -0.758 2.999 240 2HG2 VAL 31 2HG2 VAL 31 -5.998 -0.746 1.254 241 3HG2 VAL 31 3HG2 VAL 31 -5.680 0.702 2.222 242 H GLN 32 HN GLN 32 -7.893 3.612 2.824 243 HA GLN 32 HA GLN 32 -10.709 4.356 2.205 244 1HB GLN 32 2HB GLN 32 -8.661 5.406 3.926 245 2HB GLN 32 3HB GLN 32 -9.235 6.660 2.821 246 1HG GLN 32 2HG GLN 32 -11.036 4.855 4.504 247 2HG GLN 32 3HG GLN 32 -10.461 6.432 5.037 248 1HE2 GLN 32 2HE2 GLN 32 -13.277 5.523 4.502 249 2HE2 GLN 32 1HE2 GLN 32 -13.876 6.665 3.308 250 H ARG 33 HN ARG 33 -7.249 5.011 1.318 251 HA ARG 33 HA ARG 33 -8.081 5.304 -1.492 252 1HB ARG 33 2HB ARG 33 -8.131 7.602 -0.003 253 2HB ARG 33 3HB ARG 33 -6.404 7.515 -0.334 254 1HG ARG 33 2HG ARG 33 -7.026 8.807 -2.023 255 2HG ARG 33 3HG ARG 33 -7.178 7.268 -2.868 256 1HD ARG 33 2HD ARG 33 -9.439 8.841 -1.508 257 2HD ARG 33 3HD ARG 33 -9.000 8.917 -3.226 258 HE ARG 33 HE ARG 33 -9.717 6.260 -2.092 259 1HH1 ARG 33 1HH2 ARG 33 -11.070 9.181 -3.451 260 2HH1 ARG 33 2HH2 ARG 33 -12.277 8.403 -4.423 261 1HH2 ARG 33 1HH1 ARG 33 -11.206 5.124 -3.519 262 2HH2 ARG 33 2HH1 ARG 33 -12.379 6.030 -4.421 263 H ILE 34 HN ILE 34 -6.172 5.452 -2.936 264 HA ILE 34 HA ILE 34 -3.620 4.699 -1.776 265 HB ILE 34 HB ILE 34 -4.766 2.558 -1.918 266 1HG1 ILE 34 2HG1 ILE 34 -2.846 2.725 -4.233 267 2HG1 ILE 34 3HG1 ILE 34 -2.297 2.970 -2.577 268 1HG2 ILE 34 1HG2 ILE 34 -6.447 3.082 -3.714 269 2HG2 ILE 34 2HG2 ILE 34 -5.149 3.048 -4.916 270 3HG2 ILE 34 3HG2 ILE 34 -5.576 1.594 -4.029 271 1HD1 ILE 34 1HD1 ILE 34 -3.630 0.434 -3.602 272 2HD1 ILE 34 2HD1 ILE 34 -1.914 0.652 -3.223 273 3HD1 ILE 34 3HD1 ILE 34 -3.131 0.757 -1.934 274 H LYS 35 HN LYS 35 -1.927 5.298 -3.031 275 HA LYS 35 HA LYS 35 -2.321 6.259 -5.821 276 1HB LYS 35 2HB LYS 35 -1.048 7.739 -3.461 277 2HB LYS 35 3HB LYS 35 -0.595 8.031 -5.135 278 1HG LYS 35 2HG LYS 35 -2.028 9.715 -4.770 279 2HG LYS 35 3HG LYS 35 -3.052 8.550 -5.614 280 1HD LYS 35 2HD LYS 35 -4.180 7.946 -3.571 281 2HD LYS 35 3HD LYS 35 -3.016 8.792 -2.554 282 1HE LYS 35 2HE LYS 35 -4.808 10.158 -4.636 283 2HE LYS 35 3HE LYS 35 -5.289 9.931 -2.953 284 1HZ LYS 35 1HZ LYS 35 -2.929 11.466 -3.794 285 2HZ LYS 35 2HZ LYS 35 -4.368 12.094 -3.316 286 3HZ LYS 35 3HZ LYS 35 -3.453 11.250 -2.248 287 H VAL 36 HN VAL 36 -1.149 4.538 -6.751 288 HA VAL 36 HA VAL 36 1.474 3.764 -5.527 289 HB VAL 36 HB VAL 36 -0.254 2.441 -7.627 290 1HG1 VAL 36 1HG1 VAL 36 2.248 1.257 -6.348 291 2HG1 VAL 36 2HG1 VAL 36 1.276 0.598 -7.665 292 3HG1 VAL 36 3HG1 VAL 36 2.281 2.028 -7.929 293 1HG2 VAL 36 1HG2 VAL 36 0.497 1.410 -4.853 294 2HG2 VAL 36 2HG2 VAL 36 -0.964 2.342 -5.155 295 3HG2 VAL 36 3HG2 VAL 36 -0.735 0.788 -5.968 296 H SER 37 HN SER 37 3.349 4.770 -6.373 297 HA SER 37 HA SER 37 3.165 5.996 -9.036 298 1HB SER 37 2HB SER 37 4.683 6.423 -6.468 299 2HB SER 37 3HB SER 37 5.408 6.814 -8.000 300 HG SER 37 HG SER 37 4.210 8.593 -7.182 301 H LEU 38 HN LEU 38 3.331 4.047 -10.240 302 HA LEU 38 HA LEU 38 5.680 2.396 -10.176 303 1HB LEU 38 2HB LEU 38 3.409 2.824 -11.952 304 2HB LEU 38 3HB LEU 38 4.853 2.917 -12.906 305 HG LEU 38 HG LEU 38 3.824 0.678 -12.738 306 1HD1 LEU 38 1HD1 LEU 38 6.249 1.022 -13.345 307 2HD1 LEU 38 2HD1 LEU 38 6.668 0.729 -11.641 308 3HD1 LEU 38 3HD1 LEU 38 5.902 -0.542 -12.599 309 1HD2 LEU 38 1HD2 LEU 38 4.947 0.386 -9.935 310 2HD2 LEU 38 2HD2 LEU 38 3.246 0.761 -10.281 311 3HD2 LEU 38 3HD2 LEU 38 3.984 -0.740 -10.878 312 H ASP 39 HN ASP 39 7.184 2.588 -12.218 313 HA ASP 39 HA ASP 39 9.116 3.391 -12.898 314 1HB ASP 39 2HB ASP 39 8.044 6.144 -12.263 315 2HB ASP 39 3HB ASP 39 9.481 5.751 -13.163 316 H ASN 40 HN ASN 40 7.948 5.413 -10.215 317 HA ASN 40 HA ASN 40 10.479 5.763 -9.177 318 1HB ASN 40 2HB ASN 40 7.946 6.878 -8.698 319 2HB ASN 40 3HB ASN 40 8.334 6.136 -7.151 320 1HD2 ASN 40 2HD2 ASN 40 9.377 8.518 -9.583 321 2HD2 ASN 40 1HD2 ASN 40 10.447 9.393 -8.503 322 H GLN 41 HN GLN 41 8.107 3.340 -8.680 323 HA GLN 41 HA GLN 41 7.996 1.324 -7.658 324 1HB GLN 41 2HB GLN 41 10.828 1.663 -6.621 325 2HB GLN 41 3HB GLN 41 9.901 0.170 -6.869 326 1HG GLN 41 2HG GLN 41 9.748 0.763 -9.281 327 2HG GLN 41 3HG GLN 41 10.837 2.114 -8.967 328 1HE2 GLN 41 2HE2 GLN 41 13.055 1.702 -8.282 329 2HE2 GLN 41 1HE2 GLN 41 13.796 0.134 -8.561 330 H GLU 42 HN GLU 42 7.536 3.868 -6.460 331 HA GLU 42 HA GLU 42 7.448 3.211 -3.512 332 1HB GLU 42 2HB GLU 42 8.863 5.223 -4.283 333 2HB GLU 42 3HB GLU 42 7.328 5.978 -4.720 334 1HG GLU 42 2HG GLU 42 7.583 6.813 -2.620 335 2HG GLU 42 3HG GLU 42 6.694 5.356 -2.173 336 H ALA 43 HN ALA 43 5.393 3.437 -2.476 337 HA ALA 43 HA ALA 43 3.145 4.534 -4.089 338 1HB ALA 43 1HB ALA 43 3.122 1.775 -2.865 339 2HB ALA 43 2HB ALA 43 1.698 2.660 -3.425 340 3HB ALA 43 3HB ALA 43 3.000 2.210 -4.561 341 H THR 44 HN THR 44 1.343 5.149 -2.804 342 HA THR 44 HA THR 44 1.953 5.700 0.036 343 HB THR 44 HB THR 44 1.104 7.528 -2.208 344 HG1 THR 44 1HG THR 44 2.717 8.776 -1.240 345 1HG2 THR 44 1HG2 THR 44 0.496 7.832 0.745 346 2HG2 THR 44 2HG2 THR 44 0.603 9.225 -0.356 347 3HG2 THR 44 3HG2 THR 44 -0.627 7.981 -0.619 348 H ILE 45 HN ILE 45 0.396 4.598 1.199 349 HA ILE 45 HA ILE 45 -2.279 4.200 -0.072 350 HB ILE 45 HB ILE 45 -1.107 2.560 2.139 351 1HG1 ILE 45 2HG1 ILE 45 -1.556 1.802 -0.753 352 2HG1 ILE 45 3HG1 ILE 45 0.024 2.372 -0.226 353 1HG2 ILE 45 1HG2 ILE 45 -3.607 2.316 0.361 354 2HG2 ILE 45 2HG2 ILE 45 -3.107 1.096 1.529 355 3HG2 ILE 45 3HG2 ILE 45 -3.624 2.665 2.088 356 1HD1 ILE 45 1HD1 ILE 45 -1.319 0.067 1.171 357 2HD1 ILE 45 2HD1 ILE 45 -0.293 -0.108 -0.251 358 3HD1 ILE 45 3HD1 ILE 45 0.361 0.633 1.244 359 H VAL 46 HN VAL 46 -4.180 4.656 1.407 360 HA VAL 46 HA VAL 46 -3.500 5.878 3.988 361 HB VAL 46 HB VAL 46 -4.094 7.574 2.088 362 1HG1 VAL 46 1HG1 VAL 46 -6.425 8.196 2.113 363 2HG1 VAL 46 2HG1 VAL 46 -6.149 6.514 1.601 364 3HG1 VAL 46 3HG1 VAL 46 -6.780 6.852 3.236 365 1HG2 VAL 46 1HG2 VAL 46 -5.077 9.044 3.878 366 2HG2 VAL 46 2HG2 VAL 46 -5.118 7.620 4.942 367 3HG2 VAL 46 3HG2 VAL 46 -3.564 8.255 4.346 368 H TYR 47 HN TYR 47 -4.406 4.846 5.605 369 HA TYR 47 HA TYR 47 -7.029 3.584 5.467 370 1HB TYR 47 2HB TYR 47 -6.204 1.320 5.983 371 2HB TYR 47 3HB TYR 47 -5.598 1.865 4.425 372 HD1 TYR 47 1HD TYR 47 -4.571 1.556 8.045 373 HD2 TYR 47 2HD TYR 47 -3.417 1.466 3.904 374 HE1 TYR 47 1HE TYR 47 -2.342 0.825 8.698 375 HE2 TYR 47 2HE TYR 47 -1.285 0.436 4.540 376 HH TYR 47 HH TYR 47 -0.343 -0.149 7.920 377 H GLN 48 HN GLN 48 -7.303 2.344 7.843 378 HA GLN 48 HA GLN 48 -5.568 3.643 9.785 379 1HB GLN 48 2HB GLN 48 -7.423 4.899 10.238 380 2HB GLN 48 3HB GLN 48 -8.560 3.725 9.560 381 1HG GLN 48 2HG GLN 48 -8.612 2.422 11.501 382 2HG GLN 48 3HG GLN 48 -7.097 3.118 12.079 383 1HE2 GLN 48 2HE2 GLN 48 -8.179 3.440 14.162 384 2HE2 GLN 48 1HE2 GLN 48 -9.214 4.841 14.352 385 HA PRO 49 HA PRO 49 -4.839 -0.482 11.201 386 1HB PRO 49 2HB PRO 49 -3.590 0.049 13.571 387 2HB PRO 49 3HB PRO 49 -2.835 0.340 12.000 388 1HG PRO 49 2HG PRO 49 -4.272 2.363 13.722 389 2HG PRO 49 3HG PRO 49 -2.651 2.511 12.980 390 1HD PRO 49 2HD PRO 49 -4.845 3.574 11.832 391 2HD PRO 49 3HD PRO 49 -3.577 2.822 10.822 392 H HIS 50 HN HIS 50 -7.255 -0.389 11.246 393 HA HIS 50 HA HIS 50 -8.107 -1.152 13.993 394 1HB HIS 50 2HB HIS 50 -9.076 1.076 13.506 395 2HB HIS 50 3HB HIS 50 -9.774 0.453 12.003 396 HD1 HIS 50 1HD HIS 50 -12.231 1.053 12.882 397 HD2 HIS 50 2HD HIS 50 -10.037 -1.637 15.268 398 HE1 HIS 50 1HE HIS 50 -13.866 0.064 14.574 399 H LEU 51 HN LEU 51 -8.900 -1.167 10.485 400 HA LEU 51 HA LEU 51 -9.959 -3.909 10.726 401 1HB LEU 51 2HB LEU 51 -9.961 -1.885 8.512 402 2HB LEU 51 3HB LEU 51 -10.594 -3.526 8.321 403 HG LEU 51 HG LEU 51 -11.552 -1.691 10.533 404 1HD1 LEU 51 1HD1 LEU 51 -13.483 -1.111 9.089 405 2HD1 LEU 51 2HD1 LEU 51 -11.957 -0.519 8.420 406 3HD1 LEU 51 3HD1 LEU 51 -12.720 -1.972 7.734 407 1HD2 LEU 51 1HD2 LEU 51 -12.823 -4.117 9.194 408 2HD2 LEU 51 2HD2 LEU 51 -12.149 -4.065 10.837 409 3HD2 LEU 51 3HD2 LEU 51 -13.583 -3.115 10.447 410 H ILE 52 HN ILE 52 -6.872 -2.339 9.827 411 HA ILE 52 HA ILE 52 -6.042 -4.872 8.596 412 HB ILE 52 HB ILE 52 -6.280 -2.996 7.025 413 1HG1 ILE 52 2HG1 ILE 52 -4.063 -3.242 6.038 414 2HG1 ILE 52 3HG1 ILE 52 -3.426 -4.031 7.468 415 1HG2 ILE 52 1HG2 ILE 52 -4.700 -1.181 7.093 416 2HG2 ILE 52 2HG2 ILE 52 -5.687 -1.206 8.570 417 3HG2 ILE 52 3HG2 ILE 52 -4.010 -1.793 8.616 418 1HD1 ILE 52 1HD1 ILE 52 -5.895 -5.032 5.997 419 2HD1 ILE 52 2HD1 ILE 52 -4.254 -5.528 5.515 420 3HD1 ILE 52 3HD1 ILE 52 -4.870 -5.941 7.129 421 H SER 53 HN SER 53 -3.968 -5.626 9.144 422 HA SER 53 HA SER 53 -3.213 -4.968 11.846 423 1HB SER 53 2HB SER 53 -2.119 -6.955 9.940 424 2HB SER 53 3HB SER 53 -1.726 -6.888 11.664 425 HG SER 53 HG SER 53 -3.419 -8.372 11.334 426 H VAL 54 HN VAL 54 -2.639 -3.127 9.556 427 HA VAL 54 HA VAL 54 -1.241 -1.571 8.960 428 HB VAL 54 HB VAL 54 -0.452 -2.050 11.637 429 1HG1 VAL 54 1HG1 VAL 54 1.743 -2.896 10.974 430 2HG1 VAL 54 2HG1 VAL 54 1.946 -1.530 9.838 431 3HG1 VAL 54 3HG1 VAL 54 1.902 -1.250 11.590 432 1HG2 VAL 54 1HG2 VAL 54 0.188 0.275 9.812 433 2HG2 VAL 54 2HG2 VAL 54 -1.369 -0.002 10.571 434 3HG2 VAL 54 3HG2 VAL 54 0.054 0.313 11.583 435 H GLU 55 HN GLU 55 0.692 -4.415 9.781 436 HA GLU 55 HA GLU 55 2.445 -3.969 7.520 437 1HB GLU 55 2HB GLU 55 2.700 -5.446 9.829 438 2HB GLU 55 3HB GLU 55 2.308 -6.685 8.635 439 1HG GLU 55 2HG GLU 55 4.110 -5.486 7.138 440 2HG GLU 55 3HG GLU 55 4.592 -4.636 8.612 441 H GLU 56 HN GLU 56 -0.464 -5.941 8.169 442 HA GLU 56 HA GLU 56 -0.248 -7.748 6.116 443 1HB GLU 56 2HB GLU 56 -2.585 -6.475 7.550 444 2HB GLU 56 3HB GLU 56 -2.908 -7.433 6.105 445 1HG GLU 56 2HG GLU 56 -1.328 -8.468 8.475 446 2HG GLU 56 3HG GLU 56 -3.036 -8.828 8.148 447 H MET 57 HN MET 57 -1.709 -4.461 5.831 448 HA MET 57 HA MET 57 -2.563 -4.517 3.324 449 1HB MET 57 2HB MET 57 -1.836 -2.549 5.245 450 2HB MET 57 3HB MET 57 -1.013 -2.063 3.760 451 1HG MET 57 2HG MET 57 -3.992 -2.720 3.990 452 2HG MET 57 3HG MET 57 -3.262 -1.147 4.013 453 1HE MET 57 1HE MET 57 -4.519 -3.740 0.593 454 2HE MET 57 2HE MET 57 -4.317 -4.257 2.251 455 3HE MET 57 3HE MET 57 -5.490 -2.989 1.885 456 H LYS 58 HN LYS 58 0.883 -4.068 4.174 457 HA LYS 58 HA LYS 58 1.697 -3.945 1.368 458 1HB LYS 58 2HB LYS 58 2.947 -2.780 3.059 459 2HB LYS 58 3HB LYS 58 3.278 -4.265 3.959 460 1HG LYS 58 2HG LYS 58 4.071 -4.194 1.058 461 2HG LYS 58 3HG LYS 58 4.977 -3.144 2.122 462 1HD LYS 58 2HD LYS 58 4.598 -6.128 2.527 463 2HD LYS 58 3HD LYS 58 5.970 -5.413 1.704 464 1HE LYS 58 2HE LYS 58 6.362 -4.175 3.993 465 2HE LYS 58 3HE LYS 58 5.246 -5.362 4.651 466 1HZ LYS 58 1HZ LYS 58 7.810 -5.902 3.258 467 2HZ LYS 58 2HZ LYS 58 7.479 -6.152 4.858 468 3HZ LYS 58 3HZ LYS 58 6.764 -7.053 3.660 469 H LYS 59 HN LYS 59 1.611 -6.481 3.935 470 HA LYS 59 HA LYS 59 3.006 -8.463 2.419 471 1HB LYS 59 2HB LYS 59 0.825 -8.892 4.471 472 2HB LYS 59 3HB LYS 59 1.972 -10.081 3.869 473 1HG LYS 59 2HG LYS 59 2.603 -7.650 5.573 474 2HG LYS 59 3HG LYS 59 2.698 -9.364 5.964 475 1HD LYS 59 2HD LYS 59 4.532 -9.537 4.105 476 2HD LYS 59 3HD LYS 59 4.441 -7.783 3.949 477 1HE LYS 59 2HE LYS 59 6.340 -8.533 5.383 478 2HE LYS 59 3HE LYS 59 5.212 -7.374 6.087 479 1HZ LYS 59 1HZ LYS 59 5.594 -10.184 6.838 480 2HZ LYS 59 2HZ LYS 59 5.511 -8.799 7.775 481 3HZ LYS 59 3HZ LYS 59 4.182 -9.391 7.190 482 H GLN 60 HN GLN 60 -0.363 -7.379 2.181 483 HA GLN 60 HA GLN 60 -1.309 -9.604 0.676 484 1HB GLN 60 2HB GLN 60 -2.190 -6.714 0.538 485 2HB GLN 60 3HB GLN 60 -3.123 -8.130 0.072 486 1HG GLN 60 2HG GLN 60 -2.180 -8.443 2.811 487 2HG GLN 60 3HG GLN 60 -2.934 -6.858 2.602 488 1HE2 GLN 60 2HE2 GLN 60 -3.555 -10.258 1.473 489 2HE2 GLN 60 1HE2 GLN 60 -5.231 -10.266 1.991 490 H ILE 61 HN ILE 61 0.330 -6.619 -0.108 491 HA ILE 61 HA ILE 61 0.383 -7.029 -3.016 492 HB ILE 61 HB ILE 61 1.923 -5.183 -1.217 493 1HG1 ILE 61 2HG1 ILE 61 0.803 -3.629 -3.109 494 2HG1 ILE 61 3HG1 ILE 61 -0.339 -4.953 -3.238 495 1HG2 ILE 61 1HG2 ILE 61 2.233 -5.520 -4.229 496 2HG2 ILE 61 2HG2 ILE 61 2.941 -4.223 -3.240 497 3HG2 ILE 61 3HG2 ILE 61 3.484 -5.884 -3.019 498 1HD1 ILE 61 1HD1 ILE 61 0.415 -3.512 -0.660 499 2HD1 ILE 61 2HD1 ILE 61 -0.997 -3.125 -1.654 500 3HD1 ILE 61 3HD1 ILE 61 -0.886 -4.717 -0.868 501 H GLU 62 HN GLU 62 2.758 -7.778 -0.384 502 HA GLU 62 HA GLU 62 4.847 -8.749 -2.031 503 1HB GLU 62 2HB GLU 62 4.046 -9.881 0.676 504 2HB GLU 62 3HB GLU 62 5.572 -10.075 -0.203 505 1HG GLU 62 2HG GLU 62 5.453 -7.433 -0.334 506 2HG GLU 62 3HG GLU 62 4.442 -7.612 1.080 507 H ALA 63 HN ALA 63 2.059 -10.369 -0.579 508 HA ALA 63 HA ALA 63 2.410 -12.975 -1.460 509 1HB ALA 63 1HB ALA 63 -0.140 -11.445 -0.838 510 2HB ALA 63 2HB ALA 63 0.014 -13.221 -0.869 511 3HB ALA 63 3HB ALA 63 0.906 -12.264 0.335 512 H MET 64 HN MET 64 1.374 -10.226 -3.435 513 HA MET 64 HA MET 64 0.029 -11.815 -5.481 514 1HB MET 64 2HB MET 64 1.461 -9.164 -5.758 515 2HB MET 64 3HB MET 64 0.304 -9.880 -6.875 516 1HG MET 64 2HG MET 64 -0.343 -8.935 -4.067 517 2HG MET 64 3HG MET 64 -0.597 -8.037 -5.548 518 1HE MET 64 1HE MET 64 -1.639 -11.722 -4.147 519 2HE MET 64 2HE MET 64 -2.239 -10.509 -3.009 520 3HE MET 64 3HE MET 64 -3.370 -11.405 -4.036 521 H GLY 65 HN GLY 65 3.355 -11.036 -4.596 522 1HA GLY 65 1HA GLY 65 4.736 -13.058 -5.371 523 2HA GLY 65 2HA GLY 65 4.420 -12.459 -7.009 524 H PHE 66 HN PHE 66 4.489 -9.639 -6.239 525 HA PHE 66 HA PHE 66 7.303 -9.262 -6.768 526 1HB PHE 66 2HB PHE 66 5.036 -7.311 -6.309 527 2HB PHE 66 3HB PHE 66 6.670 -6.852 -6.760 528 HD1 PHE 66 1HD PHE 66 3.546 -8.425 -7.996 529 HD2 PHE 66 2HD PHE 66 7.680 -7.633 -8.904 530 HE1 PHE 66 1HE PHE 66 3.124 -8.933 -10.378 531 HE2 PHE 66 2HE PHE 66 7.276 -8.196 -11.260 532 HZ PHE 66 HZ PHE 66 4.975 -8.796 -12.033 533 HA PRO 67 HA PRO 67 7.977 -9.085 -2.234 534 1HB PRO 67 2HB PRO 67 10.655 -8.476 -2.189 535 2HB PRO 67 3HB PRO 67 10.027 -10.104 -2.572 536 1HG PRO 67 2HG PRO 67 10.871 -7.946 -4.520 537 2HG PRO 67 3HG PRO 67 11.333 -9.673 -4.534 538 1HD PRO 67 2HD PRO 67 9.330 -8.694 -6.078 539 2HD PRO 67 3HD PRO 67 9.183 -10.316 -5.333 540 H ALA 68 HN ALA 68 7.308 -7.326 -1.048 541 HA ALA 68 HA ALA 68 7.973 -4.592 -2.130 542 1HB ALA 68 1HB ALA 68 5.624 -5.334 -2.515 543 2HB ALA 68 2HB ALA 68 5.382 -5.369 -0.753 544 3HB ALA 68 3HB ALA 68 5.771 -3.861 -1.562 545 H PHE 69 HN PHE 69 7.047 -3.120 -0.023 546 HA PHE 69 HA PHE 69 8.130 -4.037 2.441 547 1HB PHE 69 2HB PHE 69 10.136 -3.123 0.664 548 2HB PHE 69 3HB PHE 69 9.863 -1.778 1.756 549 HD1 PHE 69 1HD PHE 69 10.253 -2.028 4.232 550 HD2 PHE 69 2HD PHE 69 11.085 -5.226 1.442 551 HE1 PHE 69 1HE PHE 69 11.477 -3.258 5.992 552 HE2 PHE 69 2HE PHE 69 12.366 -6.410 3.192 553 HZ PHE 69 HZ PHE 69 12.563 -5.436 5.473 554 H VAL 70 HN VAL 70 8.064 -2.491 4.165 555 HA VAL 70 HA VAL 70 6.159 -0.297 3.649 556 HB VAL 70 HB VAL 70 5.019 -2.451 4.268 557 1HG1 VAL 70 1HG1 VAL 70 6.021 -1.626 6.980 558 2HG1 VAL 70 2HG1 VAL 70 4.974 -3.021 6.599 559 3HG1 VAL 70 3HG1 VAL 70 6.681 -3.000 6.060 560 1HG2 VAL 70 1HG2 VAL 70 4.556 0.009 5.948 561 2HG2 VAL 70 2HG2 VAL 70 3.988 -0.286 4.277 562 3HG2 VAL 70 3HG2 VAL 70 3.396 -1.298 5.615 563 H LYS 71 HN LYS 71 6.754 1.481 4.613 564 HA LYS 71 HA LYS 71 9.026 1.458 6.527 565 1HB LYS 71 2HB LYS 71 7.498 3.820 5.389 566 2HB LYS 71 3HB LYS 71 8.962 3.854 6.388 567 1HG LYS 71 2HG LYS 71 9.818 2.142 4.441 568 2HG LYS 71 3HG LYS 71 8.581 3.001 3.529 569 1HD LYS 71 2HD LYS 71 10.612 4.123 3.113 570 2HD LYS 71 3HD LYS 71 9.713 5.174 4.225 571 1HE LYS 71 2HE LYS 71 11.099 4.345 6.135 572 2HE LYS 71 3HE LYS 71 11.890 3.174 5.071 573 1HZ LYS 71 1HZ LYS 71 12.096 6.101 4.828 574 2HZ LYS 71 2HZ LYS 71 13.235 5.098 5.457 575 3HZ LYS 71 3HZ LYS 71 12.851 4.998 3.864 576 H LYS 72 HN LYS 72 7.145 3.991 7.539 577 HA LYS 72 HA LYS 72 6.059 2.364 9.804 578 1HB LYS 72 2HB LYS 72 6.334 4.294 11.217 579 2HB LYS 72 3HB LYS 72 7.867 3.774 10.541 580 1HG LYS 72 2HG LYS 72 8.271 5.752 9.656 581 2HG LYS 72 3HG LYS 72 6.766 5.805 8.760 582 1HD LYS 72 2HD LYS 72 7.028 6.605 11.710 583 2HD LYS 72 3HD LYS 72 7.219 7.693 10.344 584 1HE LYS 72 2HE LYS 72 5.044 8.122 10.944 585 2HE LYS 72 3HE LYS 72 4.853 7.030 9.571 586 1HZ LYS 72 1HZ LYS 72 4.656 6.288 12.433 587 2HZ LYS 72 2HZ LYS 72 3.398 6.510 11.408 588 3HZ LYS 72 3HZ LYS 72 4.433 5.261 11.168 589 H ILE 73 HN ILE 73 3.995 2.748 10.497 590 HA ILE 73 HA ILE 73 2.332 4.829 9.300 591 HB ILE 73 HB ILE 73 2.121 3.371 7.578 592 1HG1 ILE 73 2HG1 ILE 73 -0.077 2.409 7.653 593 2HG1 ILE 73 3HG1 ILE 73 -0.179 2.565 9.409 594 1HG2 ILE 73 1HG2 ILE 73 3.350 1.488 8.360 595 2HG2 ILE 73 2HG2 ILE 73 2.171 1.138 9.615 596 3HG2 ILE 73 3HG2 ILE 73 1.760 0.880 7.900 597 1HD1 ILE 73 1HD1 ILE 73 0.228 4.921 7.510 598 2HD1 ILE 73 2HD1 ILE 73 -1.360 4.302 7.978 599 3HD1 ILE 73 3HD1 ILE 73 -0.280 4.985 9.209 600 H GLU 74 HN GLU 74 0.939 5.519 10.930 601 HA GLU 74 HA GLU 74 -0.285 3.668 12.660 602 1HB GLU 74 2HB GLU 74 1.923 3.918 13.870 603 2HB GLU 74 3HB GLU 74 1.618 5.659 14.020 604 1HG GLU 74 2HG GLU 74 -0.325 5.240 15.420 605 2HG GLU 74 3HG GLU 74 -0.255 3.493 15.068 606 H GLY 75 HN GLY 75 -1.965 4.767 13.833 607 1HA GLY 75 1HA GLY 75 -2.641 7.529 13.552 608 2HA GLY 75 2HA GLY 75 -3.476 6.565 12.311 609 H ARG 76 HN ARG 76 -2.864 6.832 15.778 610 HA ARG 76 HA ARG 76 -5.282 5.217 16.426 611 1HB ARG 76 2HB ARG 76 -2.817 5.815 18.119 612 2HB ARG 76 3HB ARG 76 -4.251 4.901 18.603 613 1HG ARG 76 2HG ARG 76 -3.698 3.314 16.607 614 2HG ARG 76 3HG ARG 76 -2.152 4.169 16.507 615 1HD ARG 76 2HD ARG 76 -1.833 2.176 17.795 616 2HD ARG 76 3HD ARG 76 -1.668 3.580 18.864 617 HE ARG 76 HE ARG 76 -4.380 2.816 18.932 618 1HH1 ARG 76 1HH2 ARG 76 -1.289 1.452 19.862 619 2HH1 ARG 76 2HH2 ARG 76 -1.911 0.406 21.107 620 1HH2 ARG 76 1HH1 ARG 76 -5.282 1.492 20.583 621 2HH2 ARG 76 2HH1 ARG 76 -4.276 0.449 21.534 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -10.087 11.138 7.372 2 2H GLY 1 2H GLY 1 -10.534 11.580 5.832 3 3H GLY 1 3H GLY 1 -10.121 10.022 6.167 4 1HA GLY 1 1HA GLY 1 -8.282 10.997 5.067 5 2HA GLY 1 2HA GLY 1 -8.317 12.339 6.232 6 H GLU 2 HN GLU 2 -7.233 9.122 5.648 7 HA GLU 2 HA GLU 2 -6.905 8.455 8.486 8 1HB GLU 2 2HB GLU 2 -6.704 6.678 6.022 9 2HB GLU 2 3HB GLU 2 -6.959 6.214 7.704 10 1HG GLU 2 2HG GLU 2 -9.017 5.977 6.529 11 2HG GLU 2 3HG GLU 2 -9.176 7.299 7.689 12 H VAL 3 HN VAL 3 -4.929 6.378 8.072 13 HA VAL 3 HA VAL 3 -2.619 8.109 8.417 14 HB VAL 3 HB VAL 3 -2.750 5.085 8.729 15 1HG1 VAL 3 1HG1 VAL 3 -0.982 7.246 9.909 16 2HG1 VAL 3 2HG1 VAL 3 -0.856 5.484 10.181 17 3HG1 VAL 3 3HG1 VAL 3 -0.514 6.169 8.584 18 1HG2 VAL 3 1HG2 VAL 3 -4.495 5.967 10.202 19 2HG2 VAL 3 2HG2 VAL 3 -3.072 5.587 11.176 20 3HG2 VAL 3 3HG2 VAL 3 -3.425 7.276 10.742 21 H VAL 4 HN VAL 4 -1.225 8.476 6.842 22 HA VAL 4 HA VAL 4 -1.347 7.250 4.254 23 HB VAL 4 HB VAL 4 0.441 9.339 5.574 24 1HG1 VAL 4 1HG1 VAL 4 0.114 8.619 2.656 25 2HG1 VAL 4 2HG1 VAL 4 1.062 9.984 3.293 26 3HG1 VAL 4 3HG1 VAL 4 1.572 8.322 3.640 27 1HG2 VAL 4 1HG2 VAL 4 -1.937 9.622 3.674 28 2HG2 VAL 4 2HG2 VAL 4 -1.945 10.045 5.398 29 3HG2 VAL 4 3HG2 VAL 4 -0.925 10.947 4.275 30 H LEU 5 HN LEU 5 -0.356 5.330 3.858 31 HA LEU 5 HA LEU 5 2.108 4.475 5.314 32 1HB LEU 5 2HB LEU 5 0.284 2.917 5.010 33 2HB LEU 5 3HB LEU 5 0.494 2.972 3.252 34 HG LEU 5 HG LEU 5 2.969 2.509 4.931 35 1HD1 LEU 5 1HD1 LEU 5 1.302 1.183 6.030 36 2HD1 LEU 5 2HD1 LEU 5 0.975 0.293 4.516 37 3HD1 LEU 5 3HD1 LEU 5 2.571 0.190 5.288 38 1HD2 LEU 5 1HD2 LEU 5 2.124 0.821 2.586 39 2HD2 LEU 5 2HD2 LEU 5 2.690 2.457 2.269 40 3HD2 LEU 5 3HD2 LEU 5 3.735 1.321 3.159 41 H LYS 6 HN LYS 6 4.049 4.004 4.053 42 HA LYS 6 HA LYS 6 4.170 4.955 1.245 43 1HB LYS 6 2HB LYS 6 4.935 6.581 3.211 44 2HB LYS 6 3HB LYS 6 6.419 5.661 3.079 45 1HG LYS 6 2HG LYS 6 5.151 6.718 0.498 46 2HG LYS 6 3HG LYS 6 5.700 7.902 1.674 47 1HD LYS 6 2HD LYS 6 7.891 6.546 1.713 48 2HD LYS 6 3HD LYS 6 7.323 5.811 0.211 49 1HE LYS 6 2HE LYS 6 7.083 8.040 -0.826 50 2HE LYS 6 3HE LYS 6 7.561 8.856 0.675 51 1HZ LYS 6 1HZ LYS 6 9.460 6.941 -0.285 52 2HZ LYS 6 2HZ LYS 6 9.143 8.001 -1.383 53 3HZ LYS 6 3HZ LYS 6 9.726 8.561 0.089 54 H MET 7 HN MET 7 4.848 3.239 0.058 55 HA MET 7 HA MET 7 6.461 1.089 1.375 56 1HB MET 7 2HB MET 7 5.094 -0.565 0.169 57 2HB MET 7 3HB MET 7 4.122 0.337 1.313 58 1HG MET 7 2HG MET 7 3.510 1.857 -0.686 59 2HG MET 7 3HG MET 7 4.203 0.579 -1.697 60 1HE MET 7 1HE MET 7 1.305 -1.757 -2.027 61 2HE MET 7 2HE MET 7 2.357 -0.682 -2.962 62 3HE MET 7 3HE MET 7 3.071 -1.848 -1.812 63 H LYS 8 HN LYS 8 7.658 -0.205 -0.030 64 HA LYS 8 HA LYS 8 8.223 0.958 -2.725 65 1HB LYS 8 2HB LYS 8 9.950 -0.328 -0.628 66 2HB LYS 8 3HB LYS 8 10.321 -0.709 -2.309 67 1HG LYS 8 2HG LYS 8 9.901 2.165 -1.420 68 2HG LYS 8 3HG LYS 8 11.474 1.378 -1.239 69 1HD LYS 8 2HD LYS 8 10.096 1.120 -3.895 70 2HD LYS 8 3HD LYS 8 10.752 2.708 -3.541 71 1HE LYS 8 2HE LYS 8 12.405 0.164 -3.212 72 2HE LYS 8 3HE LYS 8 12.185 0.885 -4.811 73 1HZ LYS 8 1HZ LYS 8 13.374 2.258 -2.518 74 2HZ LYS 8 2HZ LYS 8 14.177 1.575 -3.784 75 3HZ LYS 8 3HZ LYS 8 13.185 2.866 -4.046 76 H VAL 9 HN VAL 9 7.670 -0.209 -4.425 77 HA VAL 9 HA VAL 9 6.719 -3.011 -4.074 78 HB VAL 9 HB VAL 9 5.889 -1.022 -6.225 79 1HG1 VAL 9 1HG1 VAL 9 5.656 -3.450 -6.810 80 2HG1 VAL 9 2HG1 VAL 9 4.723 -3.704 -5.322 81 3HG1 VAL 9 3HG1 VAL 9 4.085 -2.667 -6.612 82 1HG2 VAL 9 1HG2 VAL 9 4.504 -1.786 -3.636 83 2HG2 VAL 9 2HG2 VAL 9 5.049 -0.158 -4.107 84 3HG2 VAL 9 3HG2 VAL 9 3.723 -0.928 -4.987 85 H GLU 10 HN GLU 10 9.020 -3.604 -4.206 86 HA GLU 10 HA GLU 10 10.692 -2.824 -6.317 87 1HB GLU 10 2HB GLU 10 10.869 -5.346 -4.731 88 2HB GLU 10 3HB GLU 10 12.166 -4.566 -5.634 89 1HG GLU 10 2HG GLU 10 10.757 -3.219 -3.256 90 2HG GLU 10 3HG GLU 10 12.188 -4.224 -3.165 91 H GLY 11 HN GLY 11 10.407 -3.150 -8.410 92 1HA GLY 11 1HA GLY 11 10.590 -5.135 -10.042 93 2HA GLY 11 2HA GLY 11 8.984 -5.570 -9.441 94 H MET 12 HN MET 12 7.441 -3.470 -9.364 95 HA MET 12 HA MET 12 7.141 -3.068 -12.241 96 1HB MET 12 2HB MET 12 5.320 -2.538 -9.868 97 2HB MET 12 3HB MET 12 4.894 -2.097 -11.532 98 1HG MET 12 2HG MET 12 5.651 -4.901 -10.648 99 2HG MET 12 3HG MET 12 4.000 -4.324 -10.884 100 1HE MET 12 1HE MET 12 3.987 -6.693 -12.441 101 2HE MET 12 2HE MET 12 5.010 -6.866 -13.887 102 3HE MET 12 3HE MET 12 5.757 -6.859 -12.271 103 H THR 13 HN THR 13 8.644 -1.689 -12.890 104 HA THR 13 HA THR 13 8.480 1.139 -11.939 105 HB THR 13 HB THR 13 10.449 -0.265 -11.257 106 HG1 THR 13 1HG THR 13 11.835 1.467 -11.641 107 1HG2 THR 13 1HG2 THR 13 11.252 0.056 -14.161 108 2HG2 THR 13 2HG2 THR 13 12.207 -0.664 -12.847 109 3HG2 THR 13 3HG2 THR 13 10.729 -1.469 -13.408 110 H CYS 14 HN CYS 14 7.240 -0.416 -14.468 111 HA CYS 14 HA CYS 14 7.692 1.867 -16.274 112 1HB CYS 14 2HB CYS 14 9.574 0.415 -16.863 113 2HB CYS 14 3HB CYS 14 8.444 -0.936 -17.127 114 HG CYS 14 HG CYS 14 9.206 0.076 -19.418 115 H HIS 15 HN HIS 15 5.686 2.403 -16.606 116 HA HIS 15 HA HIS 15 3.382 1.921 -16.094 117 1HB HIS 15 2HB HIS 15 4.007 3.363 -17.998 118 2HB HIS 15 3HB HIS 15 3.856 1.970 -19.075 119 HD1 HIS 15 1HD HIS 15 1.563 2.115 -20.273 120 HD2 HIS 15 2HD HIS 15 1.511 3.574 -16.325 121 HE1 HIS 15 1HE HIS 15 -0.819 2.926 -19.816 122 H SER 16 HN SER 16 3.254 -0.157 -15.082 123 HA SER 16 HA SER 16 1.618 -2.040 -16.544 124 1HB SER 16 2HB SER 16 3.960 -2.630 -17.285 125 2HB SER 16 3HB SER 16 4.408 -2.810 -15.575 126 HG SER 16 HG SER 16 3.787 -4.807 -16.640 127 H CYS 17 HN CYS 17 0.811 -3.617 -15.022 128 HA CYS 17 HA CYS 17 -0.412 -3.828 -13.054 129 1HB CYS 17 2HB CYS 17 2.293 -4.919 -13.026 130 2HB CYS 17 3HB CYS 17 1.677 -4.710 -11.379 131 HG CYS 17 HG CYS 17 1.271 -7.115 -12.143 132 H THR 18 HN THR 18 -0.973 -1.559 -12.832 133 HA THR 18 HA THR 18 -0.193 -0.645 -10.085 134 HB THR 18 HB THR 18 -0.826 1.676 -10.979 135 HG1 THR 18 1HG THR 18 -0.142 0.586 -13.503 136 1HG2 THR 18 1HG2 THR 18 1.657 0.507 -12.309 137 2HG2 THR 18 2HG2 THR 18 1.378 2.171 -11.728 138 3HG2 THR 18 3HG2 THR 18 1.558 0.835 -10.580 139 H SER 19 HN SER 19 -2.677 0.350 -12.483 140 HA SER 19 HA SER 19 -4.515 0.715 -10.609 141 1HB SER 19 2HB SER 19 -5.429 -0.316 -13.324 142 2HB SER 19 3HB SER 19 -6.079 1.041 -12.378 143 HG SER 19 HG SER 19 -4.795 1.899 -14.013 144 H THR 20 HN THR 20 -4.031 -2.422 -12.045 145 HA THR 20 HA THR 20 -6.158 -3.768 -10.766 146 HB THR 20 HB THR 20 -3.329 -4.521 -11.618 147 HG1 THR 20 1HG THR 20 -4.626 -5.805 -13.058 148 1HG2 THR 20 1HG2 THR 20 -5.320 -6.277 -10.172 149 2HG2 THR 20 2HG2 THR 20 -3.968 -6.908 -11.157 150 3HG2 THR 20 3HG2 THR 20 -3.633 -5.920 -9.728 151 H ILE 21 HN ILE 21 -2.859 -3.087 -9.498 152 HA ILE 21 HA ILE 21 -3.340 -4.258 -6.930 153 HB ILE 21 HB ILE 21 -1.268 -2.409 -8.173 154 1HG1 ILE 21 2HG1 ILE 21 0.089 -4.456 -7.105 155 2HG1 ILE 21 3HG1 ILE 21 -1.445 -5.292 -7.311 156 1HG2 ILE 21 1HG2 ILE 21 0.030 -2.345 -6.202 157 2HG2 ILE 21 2HG2 ILE 21 -1.495 -1.506 -5.951 158 3HG2 ILE 21 3HG2 ILE 21 -1.262 -3.135 -5.250 159 1HD1 ILE 21 1HD1 ILE 21 0.252 -3.891 -9.398 160 2HD1 ILE 21 2HD1 ILE 21 -0.026 -5.631 -9.255 161 3HD1 ILE 21 3HD1 ILE 21 -1.348 -4.568 -9.774 162 H GLU 22 HN GLU 22 -3.559 -0.879 -8.193 163 HA GLU 22 HA GLU 22 -4.218 0.264 -5.719 164 1HB GLU 22 2HB GLU 22 -4.844 1.148 -8.550 165 2HB GLU 22 3HB GLU 22 -5.128 2.160 -7.147 166 1HG GLU 22 2HG GLU 22 -2.775 2.057 -6.518 167 2HG GLU 22 3HG GLU 22 -2.409 0.943 -7.845 168 H GLY 23 HN GLY 23 -6.436 -0.280 -8.365 169 1HA GLY 23 1HA GLY 23 -8.917 0.072 -7.181 170 2HA GLY 23 2HA GLY 23 -8.602 -1.055 -8.513 171 H LYS 24 HN LYS 24 -7.091 -3.093 -7.376 172 HA LYS 24 HA LYS 24 -9.157 -4.498 -6.001 173 1HB LYS 24 2HB LYS 24 -7.465 -5.560 -7.439 174 2HB LYS 24 3HB LYS 24 -6.209 -5.260 -6.220 175 1HG LYS 24 2HG LYS 24 -7.177 -6.779 -4.675 176 2HG LYS 24 3HG LYS 24 -8.767 -6.693 -5.455 177 1HD LYS 24 2HD LYS 24 -7.812 -7.815 -7.474 178 2HD LYS 24 3HD LYS 24 -6.286 -8.045 -6.606 179 1HE LYS 24 2HE LYS 24 -7.106 -9.790 -5.362 180 2HE LYS 24 3HE LYS 24 -8.645 -8.983 -5.052 181 1HZ LYS 24 1HZ LYS 24 -7.968 -10.401 -7.538 182 2HZ LYS 24 2HZ LYS 24 -8.960 -10.943 -6.345 183 3HZ LYS 24 3HZ LYS 24 -9.388 -9.627 -7.227 184 H ILE 25 HN ILE 25 -6.053 -3.033 -4.813 185 HA ILE 25 HA ILE 25 -6.473 -3.804 -2.119 186 HB ILE 25 HB ILE 25 -4.804 -1.726 -3.516 187 1HG1 ILE 25 2HG1 ILE 25 -4.076 -4.025 -3.850 188 2HG1 ILE 25 3HG1 ILE 25 -2.920 -3.053 -2.939 189 1HG2 ILE 25 1HG2 ILE 25 -5.163 -1.985 -0.601 190 2HG2 ILE 25 2HG2 ILE 25 -3.616 -1.459 -1.321 191 3HG2 ILE 25 3HG2 ILE 25 -5.108 -0.554 -1.655 192 1HD1 ILE 25 1HD1 ILE 25 -4.850 -5.156 -1.925 193 2HD1 ILE 25 2HD1 ILE 25 -3.085 -5.194 -1.871 194 3HD1 ILE 25 3HD1 ILE 25 -3.976 -4.038 -0.851 195 H GLY 26 HN GLY 26 -7.727 -1.115 -4.010 196 1HA GLY 26 1HA GLY 26 -8.907 0.493 -2.090 197 2HA GLY 26 2HA GLY 26 -9.613 0.098 -3.661 198 H LYS 27 HN LYS 27 -9.773 -2.957 -2.681 199 HA LYS 27 HA LYS 27 -12.450 -2.650 -1.541 200 1HB LYS 27 2HB LYS 27 -10.806 -4.880 -2.680 201 2HB LYS 27 3HB LYS 27 -12.179 -5.221 -1.672 202 1HG LYS 27 2HG LYS 27 -12.417 -3.287 -4.010 203 2HG LYS 27 3HG LYS 27 -12.501 -5.034 -4.196 204 1HD LYS 27 2HD LYS 27 -14.352 -5.028 -2.373 205 2HD LYS 27 3HD LYS 27 -14.363 -3.275 -2.542 206 1HE LYS 27 2HE LYS 27 -16.153 -4.152 -3.867 207 2HE LYS 27 3HE LYS 27 -14.927 -3.513 -4.971 208 1HZ LYS 27 1HZ LYS 27 -15.276 -6.360 -4.257 209 2HZ LYS 27 2HZ LYS 27 -15.797 -5.660 -5.649 210 3HZ LYS 27 3HZ LYS 27 -14.188 -5.768 -5.342 211 H LEU 28 HN LEU 28 -9.123 -3.063 -0.364 212 HA LEU 28 HA LEU 28 -9.640 -5.044 1.474 213 1HB LEU 28 2HB LEU 28 -7.563 -2.858 1.459 214 2HB LEU 28 3HB LEU 28 -7.560 -4.213 2.573 215 HG LEU 28 HG LEU 28 -6.279 -4.092 0.091 216 1HD1 LEU 28 1HD1 LEU 28 -5.601 -6.374 0.725 217 2HD1 LEU 28 2HD1 LEU 28 -5.585 -5.272 2.120 218 3HD1 LEU 28 3HD1 LEU 28 -6.946 -6.405 1.900 219 1HD2 LEU 28 1HD2 LEU 28 -7.116 -6.105 -1.076 220 2HD2 LEU 28 2HD2 LEU 28 -8.484 -6.191 0.047 221 3HD2 LEU 28 3HD2 LEU 28 -8.337 -4.833 -1.097 222 H GLN 29 HN GLN 29 -10.213 -5.120 3.493 223 HA GLN 29 HA GLN 29 -11.867 -3.200 4.703 224 1HB GLN 29 2HB GLN 29 -11.896 -4.676 6.625 225 2HB GLN 29 3HB GLN 29 -12.045 -5.547 5.094 226 1HG GLN 29 2HG GLN 29 -9.404 -5.749 5.328 227 2HG GLN 29 3HG GLN 29 -9.751 -5.472 7.036 228 1HE2 GLN 29 2HE2 GLN 29 -8.621 -7.905 5.807 229 2HE2 GLN 29 1HE2 GLN 29 -9.773 -9.184 6.142 230 H GLY 30 HN GLY 30 -11.062 -1.176 5.013 231 1HA GLY 30 1HA GLY 30 -10.039 0.060 6.962 232 2HA GLY 30 2HA GLY 30 -8.553 -0.842 6.639 233 H VAL 31 HN VAL 31 -9.221 -0.570 3.533 234 HA VAL 31 HA VAL 31 -7.521 1.757 3.421 235 HB VAL 31 HB VAL 31 -8.555 -0.357 1.490 236 1HG1 VAL 31 1HG1 VAL 31 -8.595 1.605 0.173 237 2HG1 VAL 31 2HG1 VAL 31 -7.001 2.137 0.784 238 3HG1 VAL 31 3HG1 VAL 31 -7.139 0.690 -0.250 239 1HG2 VAL 31 1HG2 VAL 31 -5.774 0.506 2.400 240 2HG2 VAL 31 2HG2 VAL 31 -6.651 -0.924 2.989 241 3HG2 VAL 31 3HG2 VAL 31 -6.141 -0.827 1.290 242 H GLN 32 HN GLN 32 -8.027 3.723 2.811 243 HA GLN 32 HA GLN 32 -10.778 4.354 1.854 244 1HB GLN 32 2HB GLN 32 -8.906 5.648 3.646 245 2HB GLN 32 3HB GLN 32 -9.781 6.746 2.574 246 1HG GLN 32 2HG GLN 32 -11.365 4.581 3.982 247 2HG GLN 32 3HG GLN 32 -10.774 5.893 4.971 248 1HE2 GLN 32 2HE2 GLN 32 -11.500 8.049 4.650 249 2HE2 GLN 32 1HE2 GLN 32 -12.951 8.365 3.683 250 H ARG 33 HN ARG 33 -7.227 4.841 1.150 251 HA ARG 33 HA ARG 33 -7.976 4.779 -1.638 252 1HB ARG 33 2HB ARG 33 -7.912 7.341 -0.396 253 2HB ARG 33 3HB ARG 33 -6.394 7.245 -1.288 254 1HG ARG 33 2HG ARG 33 -7.584 6.783 -3.368 255 2HG ARG 33 3HG ARG 33 -9.105 6.533 -2.484 256 1HD ARG 33 2HD ARG 33 -9.006 8.906 -1.713 257 2HD ARG 33 3HD ARG 33 -7.636 9.169 -2.829 258 HE ARG 33 HE ARG 33 -9.642 7.965 -4.347 259 1HH1 ARG 33 1HH2 ARG 33 -9.306 10.957 -2.527 260 2HH1 ARG 33 2HH2 ARG 33 -10.596 11.797 -3.335 261 1HH2 ARG 33 1HH1 ARG 33 -11.389 9.018 -5.428 262 2HH2 ARG 33 2HH1 ARG 33 -11.796 10.659 -5.049 263 H ILE 34 HN ILE 34 -5.987 5.147 -3.070 264 HA ILE 34 HA ILE 34 -3.448 4.487 -1.888 265 HB ILE 34 HB ILE 34 -4.463 2.265 -2.015 266 1HG1 ILE 34 2HG1 ILE 34 -2.476 2.541 -4.304 267 2HG1 ILE 34 3HG1 ILE 34 -2.033 2.688 -2.603 268 1HG2 ILE 34 1HG2 ILE 34 -4.852 2.663 -5.016 269 2HG2 ILE 34 2HG2 ILE 34 -5.257 1.244 -4.047 270 3HG2 ILE 34 3HG2 ILE 34 -6.158 2.730 -3.823 271 1HD1 ILE 34 1HD1 ILE 34 -3.132 0.192 -3.930 272 2HD1 ILE 34 2HD1 ILE 34 -1.511 0.472 -3.289 273 3HD1 ILE 34 3HD1 ILE 34 -2.908 0.399 -2.200 274 H LYS 35 HN LYS 35 -1.702 4.811 -3.352 275 HA LYS 35 HA LYS 35 -2.255 5.738 -6.071 276 1HB LYS 35 2HB LYS 35 -0.956 7.809 -5.645 277 2HB LYS 35 3HB LYS 35 -2.552 7.760 -4.893 278 1HG LYS 35 2HG LYS 35 -1.084 6.860 -2.799 279 2HG LYS 35 3HG LYS 35 0.186 7.751 -3.617 280 1HD LYS 35 2HD LYS 35 -2.572 8.881 -2.927 281 2HD LYS 35 3HD LYS 35 -1.220 8.902 -1.791 282 1HE LYS 35 2HE LYS 35 0.148 10.209 -3.424 283 2HE LYS 35 3HE LYS 35 -1.252 10.290 -4.507 284 1HZ LYS 35 1HZ LYS 35 -1.141 11.366 -1.759 285 2HZ LYS 35 2HZ LYS 35 -1.027 12.254 -3.135 286 3HZ LYS 35 3HZ LYS 35 -2.429 11.475 -2.775 287 H VAL 36 HN VAL 36 -0.891 4.509 -7.197 288 HA VAL 36 HA VAL 36 1.763 3.705 -6.069 289 HB VAL 36 HB VAL 36 -0.043 2.466 -8.169 290 1HG1 VAL 36 1HG1 VAL 36 1.528 0.575 -8.165 291 2HG1 VAL 36 2HG1 VAL 36 2.297 2.047 -8.797 292 3HG1 VAL 36 3HG1 VAL 36 2.660 1.506 -7.148 293 1HG2 VAL 36 1HG2 VAL 36 -0.666 2.172 -5.698 294 2HG2 VAL 36 2HG2 VAL 36 -0.345 0.670 -6.584 295 3HG2 VAL 36 3HG2 VAL 36 0.875 1.335 -5.492 296 H SER 37 HN SER 37 3.560 4.826 -6.865 297 HA SER 37 HA SER 37 3.381 6.171 -9.453 298 1HB SER 37 2HB SER 37 4.924 6.449 -6.868 299 2HB SER 37 3HB SER 37 5.457 7.137 -8.368 300 HG SER 37 HG SER 37 4.112 8.609 -7.204 301 H LEU 38 HN LEU 38 4.036 4.789 -10.996 302 HA LEU 38 HA LEU 38 6.219 2.905 -10.929 303 1HB LEU 38 2HB LEU 38 4.944 4.578 -13.118 304 2HB LEU 38 3HB LEU 38 6.103 3.296 -13.451 305 HG LEU 38 HG LEU 38 3.786 2.450 -11.743 306 1HD1 LEU 38 1HD1 LEU 38 2.525 3.835 -13.185 307 2HD1 LEU 38 2HD1 LEU 38 3.516 3.440 -14.590 308 3HD1 LEU 38 3HD1 LEU 38 2.413 2.216 -13.907 309 1HD2 LEU 38 1HD2 LEU 38 3.995 0.447 -13.006 310 2HD2 LEU 38 2HD2 LEU 38 5.097 1.214 -14.165 311 3HD2 LEU 38 3HD2 LEU 38 5.606 0.954 -12.490 312 H ASP 39 HN ASP 39 8.041 3.567 -12.765 313 HA ASP 39 HA ASP 39 10.014 4.461 -13.114 314 1HB ASP 39 2HB ASP 39 8.651 7.078 -12.359 315 2HB ASP 39 3HB ASP 39 10.240 6.905 -13.044 316 H ASN 40 HN ASN 40 8.789 6.480 -10.475 317 HA ASN 40 HA ASN 40 11.240 6.501 -9.170 318 1HB ASN 40 2HB ASN 40 8.497 7.519 -8.558 319 2HB ASN 40 3HB ASN 40 9.392 7.058 -7.118 320 1HD2 ASN 40 2HD2 ASN 40 9.477 9.273 -9.920 321 2HD2 ASN 40 1HD2 ASN 40 10.634 10.362 -9.173 322 H GLN 41 HN GLN 41 8.498 4.435 -9.328 323 HA GLN 41 HA GLN 41 7.899 2.480 -8.647 324 1HB GLN 41 2HB GLN 41 10.261 2.118 -9.561 325 2HB GLN 41 3HB GLN 41 10.799 2.014 -7.881 326 1HG GLN 41 2HG GLN 41 8.462 0.425 -7.939 327 2HG GLN 41 3HG GLN 41 9.122 0.224 -9.539 328 1HE2 GLN 41 2HE2 GLN 41 10.207 0.540 -6.166 329 2HE2 GLN 41 1HE2 GLN 41 11.323 -0.846 -6.111 330 H GLU 42 HN GLU 42 6.880 3.905 -6.958 331 HA GLU 42 HA GLU 42 7.308 2.724 -4.312 332 1HB GLU 42 2HB GLU 42 8.905 4.766 -4.638 333 2HB GLU 42 3HB GLU 42 7.450 5.764 -4.598 334 1HG GLU 42 2HG GLU 42 6.940 4.978 -2.338 335 2HG GLU 42 3HG GLU 42 8.225 3.752 -2.431 336 H ALA 43 HN ALA 43 5.435 3.254 -2.876 337 HA ALA 43 HA ALA 43 3.107 4.462 -4.297 338 1HB ALA 43 1HB ALA 43 3.026 2.097 -4.889 339 2HB ALA 43 2HB ALA 43 3.093 1.646 -3.187 340 3HB ALA 43 3HB ALA 43 1.695 2.547 -3.787 341 H THR 44 HN THR 44 1.230 4.697 -2.793 342 HA THR 44 HA THR 44 1.890 4.657 0.053 343 HB THR 44 HB THR 44 1.532 7.125 -1.631 344 HG1 THR 44 1HG THR 44 2.642 6.597 0.915 345 1HG2 THR 44 1HG2 THR 44 0.274 6.949 1.137 346 2HG2 THR 44 2HG2 THR 44 0.592 8.438 0.227 347 3HG2 THR 44 3HG2 THR 44 -0.583 7.258 -0.374 348 H ILE 45 HN ILE 45 0.072 4.438 1.323 349 HA ILE 45 HA ILE 45 -2.471 3.949 -0.103 350 HB ILE 45 HB ILE 45 -1.522 2.286 2.185 351 1HG1 ILE 45 2HG1 ILE 45 -1.771 1.363 -0.669 352 2HG1 ILE 45 3HG1 ILE 45 -0.226 2.030 -0.162 353 1HG2 ILE 45 1HG2 ILE 45 -3.887 2.223 0.232 354 2HG2 ILE 45 2HG2 ILE 45 -3.468 0.843 1.207 355 3HG2 ILE 45 3HG2 ILE 45 -3.982 2.321 1.994 356 1HD1 ILE 45 1HD1 ILE 45 -1.548 -0.089 1.460 357 2HD1 ILE 45 2HD1 ILE 45 -0.481 -0.464 0.106 358 3HD1 ILE 45 3HD1 ILE 45 0.110 0.497 1.507 359 H VAL 46 HN VAL 46 -4.384 4.291 1.574 360 HA VAL 46 HA VAL 46 -3.593 5.847 3.923 361 HB VAL 46 HB VAL 46 -4.015 7.354 1.963 362 1HG1 VAL 46 1HG1 VAL 46 -5.996 6.397 1.229 363 2HG1 VAL 46 2HG1 VAL 46 -6.836 6.763 2.772 364 3HG1 VAL 46 3HG1 VAL 46 -6.302 8.086 1.697 365 1HG2 VAL 46 1HG2 VAL 46 -4.921 9.052 3.473 366 2HG2 VAL 46 2HG2 VAL 46 -5.475 7.784 4.581 367 3HG2 VAL 46 3HG2 VAL 46 -3.737 8.056 4.342 368 H TYR 47 HN TYR 47 -4.351 4.815 5.631 369 HA TYR 47 HA TYR 47 -6.996 3.601 5.705 370 1HB TYR 47 2HB TYR 47 -6.228 1.314 5.976 371 2HB TYR 47 3HB TYR 47 -5.628 1.920 4.439 372 HD1 TYR 47 1HD TYR 47 -3.247 2.398 4.086 373 HD2 TYR 47 2HD TYR 47 -4.673 0.809 7.824 374 HE1 TYR 47 1HE TYR 47 -1.146 1.131 4.356 375 HE2 TYR 47 2HE TYR 47 -2.515 -0.326 8.168 376 HH TYR 47 HH TYR 47 -0.520 -1.038 7.119 377 H GLN 48 HN GLN 48 -7.051 2.231 8.012 378 HA GLN 48 HA GLN 48 -5.153 3.417 9.891 379 1HB GLN 48 2HB GLN 48 -7.263 3.525 11.386 380 2HB GLN 48 3HB GLN 48 -6.882 4.892 10.305 381 1HG GLN 48 2HG GLN 48 -8.482 4.142 8.721 382 2HG GLN 48 3HG GLN 48 -8.673 2.584 9.564 383 1HE2 GLN 48 2HE2 GLN 48 -11.071 3.215 9.431 384 2HE2 GLN 48 1HE2 GLN 48 -11.676 4.223 10.734 385 HA PRO 49 HA PRO 49 -5.165 -0.608 11.803 386 1HB PRO 49 2HB PRO 49 -4.179 0.004 14.274 387 2HB PRO 49 3HB PRO 49 -3.186 -0.028 12.805 388 1HG PRO 49 2HG PRO 49 -4.452 2.377 14.133 389 2HG PRO 49 3HG PRO 49 -2.771 2.210 13.545 390 1HD PRO 49 2HD PRO 49 -4.731 3.442 12.098 391 2HD PRO 49 3HD PRO 49 -3.441 2.491 11.301 392 H HIS 50 HN HIS 50 -7.457 -0.378 11.518 393 HA HIS 50 HA HIS 50 -8.763 -0.850 14.141 394 1HB HIS 50 2HB HIS 50 -9.622 1.207 12.125 395 2HB HIS 50 3HB HIS 50 -10.884 0.101 12.672 396 HD1 HIS 50 1HD HIS 50 -8.103 1.653 14.871 397 HD2 HIS 50 2HD HIS 50 -12.277 1.338 14.436 398 HE1 HIS 50 1HE HIS 50 -9.150 2.778 16.926 399 H LEU 51 HN LEU 51 -9.106 -0.924 10.587 400 HA LEU 51 HA LEU 51 -10.511 -3.508 10.740 401 1HB LEU 51 2HB LEU 51 -9.887 -1.685 8.410 402 2HB LEU 51 3HB LEU 51 -10.910 -3.128 8.391 403 HG LEU 51 HG LEU 51 -12.153 -1.801 10.379 404 1HD1 LEU 51 1HD1 LEU 51 -11.479 0.523 8.542 405 2HD1 LEU 51 2HD1 LEU 51 -12.312 0.539 10.093 406 3HD1 LEU 51 3HD1 LEU 51 -10.570 0.266 10.032 407 1HD2 LEU 51 1HD2 LEU 51 -13.782 -1.014 8.693 408 2HD2 LEU 51 2HD2 LEU 51 -12.596 -1.335 7.410 409 3HD2 LEU 51 3HD2 LEU 51 -13.240 -2.674 8.386 410 H ILE 52 HN ILE 52 -7.204 -2.298 10.058 411 HA ILE 52 HA ILE 52 -6.495 -4.957 9.050 412 HB ILE 52 HB ILE 52 -6.719 -3.279 7.284 413 1HG1 ILE 52 2HG1 ILE 52 -4.563 -3.662 6.275 414 2HG1 ILE 52 3HG1 ILE 52 -3.851 -4.228 7.787 415 1HG2 ILE 52 1HG2 ILE 52 -6.084 -1.332 8.624 416 2HG2 ILE 52 2HG2 ILE 52 -4.404 -1.919 8.659 417 3HG2 ILE 52 3HG2 ILE 52 -5.171 -1.474 7.111 418 1HD1 ILE 52 1HD1 ILE 52 -6.341 -5.423 6.525 419 2HD1 ILE 52 2HD1 ILE 52 -4.704 -5.951 6.057 420 3HD1 ILE 52 3HD1 ILE 52 -5.269 -6.176 7.737 421 H SER 53 HN SER 53 -4.504 -5.787 9.733 422 HA SER 53 HA SER 53 -3.714 -4.955 12.293 423 1HB SER 53 2HB SER 53 -2.366 -6.924 10.565 424 2HB SER 53 3HB SER 53 -2.509 -6.941 12.326 425 HG SER 53 HG SER 53 -4.042 -8.384 11.285 426 H VAL 54 HN VAL 54 -2.977 -3.081 10.213 427 HA VAL 54 HA VAL 54 -1.430 -1.521 9.755 428 HB VAL 54 HB VAL 54 -0.752 -2.340 12.392 429 1HG1 VAL 54 1HG1 VAL 54 1.714 -1.763 10.703 430 2HG1 VAL 54 2HG1 VAL 54 1.640 -1.665 12.473 431 3HG1 VAL 54 3HG1 VAL 54 1.410 -3.225 11.681 432 1HG2 VAL 54 1HG2 VAL 54 -1.522 -0.112 11.438 433 2HG2 VAL 54 2HG2 VAL 54 -0.234 -0.047 12.661 434 3HG2 VAL 54 3HG2 VAL 54 0.157 0.136 10.943 435 H GLU 55 HN GLU 55 0.297 -4.507 10.363 436 HA GLU 55 HA GLU 55 2.143 -4.130 8.157 437 1HB GLU 55 2HB GLU 55 2.134 -5.590 10.518 438 2HB GLU 55 3HB GLU 55 1.766 -6.817 9.305 439 1HG GLU 55 2HG GLU 55 4.123 -6.788 9.583 440 2HG GLU 55 3HG GLU 55 3.843 -5.983 8.033 441 H GLU 56 HN GLU 56 -0.820 -6.057 8.770 442 HA GLU 56 HA GLU 56 -0.601 -7.841 6.677 443 1HB GLU 56 2HB GLU 56 -2.957 -6.581 8.109 444 2HB GLU 56 3HB GLU 56 -3.226 -7.657 6.734 445 1HG GLU 56 2HG GLU 56 -1.576 -8.449 9.153 446 2HG GLU 56 3HG GLU 56 -3.286 -8.869 8.908 447 H MET 57 HN MET 57 -2.238 -4.634 6.521 448 HA MET 57 HA MET 57 -3.196 -4.538 4.071 449 1HB MET 57 2HB MET 57 -2.485 -2.711 6.066 450 2HB MET 57 3HB MET 57 -1.539 -2.142 4.708 451 1HG MET 57 2HG MET 57 -4.511 -2.725 4.391 452 2HG MET 57 3HG MET 57 -3.888 -1.246 5.088 453 1HE MET 57 1HE MET 57 -4.979 -2.829 1.728 454 2HE MET 57 2HE MET 57 -3.515 -2.520 0.745 455 3HE MET 57 3HE MET 57 -3.467 -3.668 2.073 456 H LYS 58 HN LYS 58 0.215 -3.625 4.730 457 HA LYS 58 HA LYS 58 0.854 -3.515 1.898 458 1HB LYS 58 2HB LYS 58 1.792 -2.265 4.067 459 2HB LYS 58 3HB LYS 58 2.917 -3.611 4.131 460 1HG LYS 58 2HG LYS 58 2.455 -1.796 1.677 461 2HG LYS 58 3HG LYS 58 3.565 -1.413 2.962 462 1HD LYS 58 2HD LYS 58 5.105 -2.422 1.757 463 2HD LYS 58 3HD LYS 58 4.492 -3.914 2.450 464 1HE LYS 58 2HE LYS 58 2.907 -3.302 0.106 465 2HE LYS 58 3HE LYS 58 4.592 -2.961 -0.316 466 1HZ LYS 58 1HZ LYS 58 3.466 -5.446 0.726 467 2HZ LYS 58 2HZ LYS 58 4.051 -5.229 -0.770 468 3HZ LYS 58 3HZ LYS 58 5.083 -5.249 0.529 469 H LYS 59 HN LYS 59 1.336 -5.982 4.488 470 HA LYS 59 HA LYS 59 2.933 -7.704 2.853 471 1HB LYS 59 2HB LYS 59 1.355 -7.975 5.368 472 2HB LYS 59 3HB LYS 59 1.741 -9.447 4.478 473 1HG LYS 59 2HG LYS 59 3.437 -8.859 6.161 474 2HG LYS 59 3HG LYS 59 4.059 -9.049 4.514 475 1HD LYS 59 2HD LYS 59 4.256 -6.542 4.288 476 2HD LYS 59 3HD LYS 59 3.489 -6.366 5.862 477 1HE LYS 59 2HE LYS 59 5.862 -6.128 6.181 478 2HE LYS 59 3HE LYS 59 5.418 -7.685 6.878 479 1HZ LYS 59 1HZ LYS 59 6.592 -7.199 4.205 480 2HZ LYS 59 2HZ LYS 59 7.393 -7.887 5.485 481 3HZ LYS 59 3HZ LYS 59 6.172 -8.648 4.641 482 H GLN 60 HN GLN 60 -0.569 -7.083 2.700 483 HA GLN 60 HA GLN 60 -1.278 -9.456 1.308 484 1HB GLN 60 2HB GLN 60 -2.410 -6.670 0.950 485 2HB GLN 60 3HB GLN 60 -3.174 -8.191 0.537 486 1HG GLN 60 2HG GLN 60 -2.368 -8.383 3.265 487 2HG GLN 60 3HG GLN 60 -3.120 -6.792 3.081 488 1HE2 GLN 60 2HE2 GLN 60 -3.845 -10.104 1.781 489 2HE2 GLN 60 1HE2 GLN 60 -5.515 -10.076 2.325 490 H ILE 61 HN ILE 61 0.027 -6.363 0.346 491 HA ILE 61 HA ILE 61 0.057 -6.857 -2.483 492 HB ILE 61 HB ILE 61 1.539 -4.883 -0.821 493 1HG1 ILE 61 2HG1 ILE 61 0.109 -3.495 -2.708 494 2HG1 ILE 61 3HG1 ILE 61 -0.904 -4.911 -2.580 495 1HG2 ILE 61 1HG2 ILE 61 2.323 -3.858 -2.978 496 2HG2 ILE 61 2HG2 ILE 61 3.065 -5.433 -2.728 497 3HG2 ILE 61 3HG2 ILE 61 1.704 -5.270 -3.853 498 1HD1 ILE 61 1HD1 ILE 61 0.039 -3.187 -0.246 499 2HD1 ILE 61 2HD1 ILE 61 -1.547 -3.067 -1.019 500 3HD1 ILE 61 3HD1 ILE 61 -1.110 -4.549 -0.150 501 H GLU 62 HN GLU 62 2.367 -7.745 0.089 502 HA GLU 62 HA GLU 62 4.464 -8.651 -1.717 503 1HB GLU 62 2HB GLU 62 3.891 -9.643 1.111 504 2HB GLU 62 3HB GLU 62 5.373 -9.837 0.175 505 1HG GLU 62 2HG GLU 62 5.653 -7.362 0.107 506 2HG GLU 62 3HG GLU 62 4.146 -7.232 1.064 507 H ALA 63 HN ALA 63 1.735 -10.161 0.023 508 HA ALA 63 HA ALA 63 2.036 -12.782 -0.888 509 1HB ALA 63 1HB ALA 63 -0.575 -11.409 -0.148 510 2HB ALA 63 2HB ALA 63 -0.234 -13.146 -0.129 511 3HB ALA 63 3HB ALA 63 0.605 -12.069 1.005 512 H MET 64 HN MET 64 0.502 -10.052 -2.633 513 HA MET 64 HA MET 64 -0.768 -11.518 -4.697 514 1HB MET 64 2HB MET 64 0.862 -8.961 -4.960 515 2HB MET 64 3HB MET 64 -0.249 -9.613 -6.153 516 1HG MET 64 2HG MET 64 -1.052 -8.561 -3.427 517 2HG MET 64 3HG MET 64 -1.227 -7.771 -4.984 518 1HE MET 64 1HE MET 64 -2.314 -11.146 -3.100 519 2HE MET 64 2HE MET 64 -2.962 -9.699 -2.296 520 3HE MET 64 3HE MET 64 -4.057 -10.820 -3.133 521 H GLY 65 HN GLY 65 2.702 -11.020 -4.092 522 1HA GLY 65 1HA GLY 65 3.870 -13.076 -5.088 523 2HA GLY 65 2HA GLY 65 3.408 -12.389 -6.655 524 H PHE 66 HN PHE 66 3.715 -9.601 -5.863 525 HA PHE 66 HA PHE 66 6.467 -9.409 -6.662 526 1HB PHE 66 2HB PHE 66 4.461 -7.275 -5.869 527 2HB PHE 66 3HB PHE 66 6.020 -6.947 -6.602 528 HD1 PHE 66 1HD PHE 66 2.658 -7.061 -7.395 529 HD2 PHE 66 2HD PHE 66 6.423 -8.619 -8.830 530 HE1 PHE 66 1HE PHE 66 1.615 -7.603 -9.571 531 HE2 PHE 66 2HE PHE 66 5.349 -9.232 -10.968 532 HZ PHE 66 HZ PHE 66 2.937 -8.768 -11.333 533 HA PRO 67 HA PRO 67 7.739 -9.411 -2.299 534 1HB PRO 67 2HB PRO 67 10.452 -9.268 -2.605 535 2HB PRO 67 3HB PRO 67 9.513 -10.758 -2.913 536 1HG PRO 67 2HG PRO 67 10.458 -8.720 -4.943 537 2HG PRO 67 3HG PRO 67 10.616 -10.498 -5.021 538 1HD PRO 67 2HD PRO 67 8.624 -9.146 -6.284 539 2HD PRO 67 3HD PRO 67 8.328 -10.758 -5.561 540 H ALA 68 HN ALA 68 7.152 -7.504 -1.361 541 HA ALA 68 HA ALA 68 8.412 -4.935 -2.248 542 1HB ALA 68 1HB ALA 68 6.017 -4.051 -1.878 543 2HB ALA 68 2HB ALA 68 6.281 -5.095 -3.290 544 3HB ALA 68 3HB ALA 68 5.529 -5.772 -1.862 545 H PHE 69 HN PHE 69 7.518 -3.216 -0.350 546 HA PHE 69 HA PHE 69 8.109 -4.435 2.253 547 1HB PHE 69 2HB PHE 69 10.288 -4.202 0.822 548 2HB PHE 69 3HB PHE 69 10.108 -2.473 1.073 549 HD1 PHE 69 1HD PHE 69 10.728 -5.766 2.642 550 HD2 PHE 69 2HD PHE 69 10.439 -1.523 3.380 551 HE1 PHE 69 1HE PHE 69 11.689 -6.087 4.908 552 HE2 PHE 69 2HE PHE 69 11.334 -1.866 5.659 553 HZ PHE 69 HZ PHE 69 12.013 -4.132 6.411 554 H VAL 70 HN VAL 70 7.836 -3.198 3.990 555 HA VAL 70 HA VAL 70 6.223 -0.763 3.610 556 HB VAL 70 HB VAL 70 4.846 -2.314 4.528 557 1HG1 VAL 70 1HG1 VAL 70 7.069 -2.993 6.419 558 2HG1 VAL 70 2HG1 VAL 70 5.393 -3.595 6.567 559 3HG1 VAL 70 3HG1 VAL 70 6.359 -3.992 5.125 560 1HG2 VAL 70 1HG2 VAL 70 4.221 -1.382 6.642 561 2HG2 VAL 70 2HG2 VAL 70 5.852 -0.768 6.947 562 3HG2 VAL 70 3HG2 VAL 70 4.862 -0.051 5.659 563 H LYS 71 HN LYS 71 6.962 1.106 4.428 564 HA LYS 71 HA LYS 71 9.519 1.192 5.884 565 1HB LYS 71 2HB LYS 71 7.680 3.346 4.855 566 2HB LYS 71 3HB LYS 71 9.187 3.666 5.735 567 1HG LYS 71 2HG LYS 71 10.537 2.566 4.087 568 2HG LYS 71 3HG LYS 71 9.152 1.829 3.304 569 1HD LYS 71 2HD LYS 71 8.810 3.508 1.945 570 2HD LYS 71 3HD LYS 71 8.710 4.671 3.259 571 1HE LYS 71 2HE LYS 71 11.322 3.668 2.004 572 2HE LYS 71 3HE LYS 71 10.497 5.154 1.527 573 1HZ LYS 71 1HZ LYS 71 11.546 4.597 4.228 574 2HZ LYS 71 2HZ LYS 71 12.241 5.585 3.114 575 3HZ LYS 71 3HZ LYS 71 10.785 5.977 3.769 576 H LYS 72 HN LYS 72 6.450 2.975 6.709 577 HA LYS 72 HA LYS 72 6.224 1.665 9.247 578 1HB LYS 72 2HB LYS 72 6.646 3.515 10.712 579 2HB LYS 72 3HB LYS 72 8.091 3.243 9.749 580 1HG LYS 72 2HG LYS 72 8.057 5.488 9.417 581 2HG LYS 72 3HG LYS 72 6.861 5.116 8.178 582 1HD LYS 72 2HD LYS 72 5.822 6.818 9.427 583 2HD LYS 72 3HD LYS 72 5.097 5.352 10.099 584 1HE LYS 72 2HE LYS 72 6.953 5.439 11.902 585 2HE LYS 72 3HE LYS 72 7.323 7.067 11.305 586 1HZ LYS 72 1HZ LYS 72 4.781 6.075 12.379 587 2HZ LYS 72 2HZ LYS 72 5.797 7.069 13.173 588 3HZ LYS 72 3HZ LYS 72 4.976 7.619 11.844 589 H ILE 73 HN ILE 73 4.151 2.407 10.356 590 HA ILE 73 HA ILE 73 2.556 4.355 9.061 591 HB ILE 73 HB ILE 73 2.110 2.747 7.489 592 1HG1 ILE 73 2HG1 ILE 73 0.313 4.037 8.709 593 2HG1 ILE 73 3HG1 ILE 73 -0.049 2.912 7.393 594 1HG2 ILE 73 1HG2 ILE 73 1.278 0.426 8.101 595 2HG2 ILE 73 2HG2 ILE 73 2.993 0.804 8.325 596 3HG2 ILE 73 3HG2 ILE 73 1.919 0.761 9.718 597 1HD1 ILE 73 1HD1 ILE 73 -0.440 2.362 10.350 598 2HD1 ILE 73 2HD1 ILE 73 -1.689 2.614 9.122 599 3HD1 ILE 73 3HD1 ILE 73 -0.643 1.184 9.031 600 H GLU 74 HN GLU 74 1.756 5.422 10.880 601 HA GLU 74 HA GLU 74 0.153 3.953 12.769 602 1HB GLU 74 2HB GLU 74 2.475 5.696 13.823 603 2HB GLU 74 3HB GLU 74 1.250 4.879 14.774 604 1HG GLU 74 2HG GLU 74 3.118 3.594 15.141 605 2HG GLU 74 3HG GLU 74 2.252 2.655 13.933 606 H GLY 75 HN GLY 75 -1.046 5.509 14.112 607 1HA GLY 75 1HA GLY 75 -2.117 7.676 12.664 608 2HA GLY 75 2HA GLY 75 -2.293 7.402 14.406 609 H ARG 76 HN ARG 76 -2.163 9.952 13.382 610 HA ARG 76 HA ARG 76 0.480 11.073 13.325 611 1HB ARG 76 2HB ARG 76 -1.620 12.047 12.265 612 2HB ARG 76 3HB ARG 76 -2.165 12.475 13.906 613 1HG ARG 76 2HG ARG 76 -0.038 13.760 14.208 614 2HG ARG 76 3HG ARG 76 0.409 13.356 12.539 615 1HD ARG 76 2HD ARG 76 -2.032 14.441 12.085 616 2HD ARG 76 3HD ARG 76 -1.665 15.303 13.576 617 HE ARG 76 HE ARG 76 -0.717 15.867 10.983 618 1HH1 ARG 76 1HH2 ARG 76 0.665 15.572 14.209 619 2HH1 ARG 76 2HH2 ARG 76 2.091 16.503 13.875 620 1HH2 ARG 76 1HH1 ARG 76 1.150 17.111 10.484 621 2HH2 ARG 76 2HH1 ARG 76 2.348 17.427 11.696 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -8.583 7.041 11.809 2 2H GLY 1 2H GLY 1 -7.972 7.742 13.155 3 3H GLY 1 3H GLY 1 -8.304 8.701 11.850 4 1HA GLY 1 1HA GLY 1 -5.907 8.073 12.305 5 2HA GLY 1 2HA GLY 1 -6.381 6.481 11.710 6 H GLU 2 HN GLU 2 -7.464 6.566 9.434 7 HA GLU 2 HA GLU 2 -6.761 6.741 7.283 8 1HB GLU 2 2HB GLU 2 -7.361 8.960 6.263 9 2HB GLU 2 3HB GLU 2 -8.629 8.090 7.137 10 1HG GLU 2 2HG GLU 2 -8.381 9.599 9.073 11 2HG GLU 2 3HG GLU 2 -7.111 10.489 8.206 12 H VAL 3 HN VAL 3 -4.577 6.276 8.279 13 HA VAL 3 HA VAL 3 -2.675 8.471 8.442 14 HB VAL 3 HB VAL 3 -2.452 5.453 8.812 15 1HG1 VAL 3 1HG1 VAL 3 -0.425 7.655 9.409 16 2HG1 VAL 3 2HG1 VAL 3 -0.285 5.943 9.862 17 3HG1 VAL 3 3HG1 VAL 3 -0.264 6.391 8.164 18 1HG2 VAL 3 1HG2 VAL 3 -2.567 7.712 10.849 19 2HG2 VAL 3 2HG2 VAL 3 -3.863 6.538 10.532 20 3HG2 VAL 3 3HG2 VAL 3 -2.330 5.984 11.206 21 H VAL 4 HN VAL 4 -1.470 9.077 6.765 22 HA VAL 4 HA VAL 4 -1.382 7.677 4.218 23 HB VAL 4 HB VAL 4 -0.098 10.188 5.384 24 1HG1 VAL 4 1HG1 VAL 4 1.493 9.297 3.836 25 2HG1 VAL 4 2HG1 VAL 4 0.212 8.933 2.650 26 3HG1 VAL 4 3HG1 VAL 4 0.643 10.622 3.028 27 1HG2 VAL 4 1HG2 VAL 4 -1.538 11.337 3.739 28 2HG2 VAL 4 2HG2 VAL 4 -2.186 9.780 3.192 29 3HG2 VAL 4 3HG2 VAL 4 -2.522 10.362 4.840 30 H LEU 5 HN LEU 5 0.033 6.127 3.766 31 HA LEU 5 HA LEU 5 2.556 5.809 5.350 32 1HB LEU 5 2HB LEU 5 1.282 4.242 6.310 33 2HB LEU 5 3HB LEU 5 0.211 4.020 4.939 34 HG LEU 5 HG LEU 5 1.429 2.017 5.423 35 1HD1 LEU 5 1HD1 LEU 5 2.538 2.750 2.775 36 2HD1 LEU 5 2HD1 LEU 5 1.682 1.333 3.364 37 3HD1 LEU 5 3HD1 LEU 5 0.787 2.822 3.026 38 1HD2 LEU 5 1HD2 LEU 5 3.925 3.668 5.122 39 2HD2 LEU 5 2HD2 LEU 5 3.525 2.380 6.261 40 3HD2 LEU 5 3HD2 LEU 5 3.929 1.989 4.593 41 H LYS 6 HN LYS 6 4.300 5.382 4.040 42 HA LYS 6 HA LYS 6 3.875 5.192 1.120 43 1HB LYS 6 2HB LYS 6 6.249 5.932 2.819 44 2HB LYS 6 3HB LYS 6 6.460 5.272 1.204 45 1HG LYS 6 2HG LYS 6 4.471 7.345 0.964 46 2HG LYS 6 3HG LYS 6 5.737 7.981 2.010 47 1HD LYS 6 2HD LYS 6 7.177 6.747 -0.056 48 2HD LYS 6 3HD LYS 6 5.756 7.349 -0.900 49 1HE LYS 6 2HE LYS 6 6.313 9.649 0.010 50 2HE LYS 6 3HE LYS 6 7.702 8.938 0.856 51 1HZ LYS 6 1HZ LYS 6 7.348 9.081 -2.064 52 2HZ LYS 6 2HZ LYS 6 8.488 9.858 -1.166 53 3HZ LYS 6 3HZ LYS 6 8.517 8.224 -1.380 54 H MET 7 HN MET 7 4.193 3.341 0.043 55 HA MET 7 HA MET 7 5.542 1.046 1.396 56 1HB MET 7 2HB MET 7 3.419 0.939 -0.800 57 2HB MET 7 3HB MET 7 4.345 -0.428 -0.179 58 1HG MET 7 2HG MET 7 3.416 0.323 2.145 59 2HG MET 7 3HG MET 7 2.195 1.163 1.148 60 1HE MET 7 1HE MET 7 0.397 -1.974 2.659 61 2HE MET 7 2HE MET 7 1.619 -0.970 3.437 62 3HE MET 7 3HE MET 7 0.299 -0.223 2.511 63 H LYS 8 HN LYS 8 6.829 -0.222 0.039 64 HA LYS 8 HA LYS 8 7.919 1.068 -2.430 65 1HB LYS 8 2HB LYS 8 9.196 -0.225 -0.128 66 2HB LYS 8 3HB LYS 8 9.634 -1.035 -1.633 67 1HG LYS 8 2HG LYS 8 9.847 1.966 -1.141 68 2HG LYS 8 3HG LYS 8 11.164 0.820 -0.878 69 1HD LYS 8 2HD LYS 8 10.071 0.346 -3.525 70 2HD LYS 8 3HD LYS 8 10.357 2.085 -3.324 71 1HE LYS 8 2HE LYS 8 12.692 1.679 -2.724 72 2HE LYS 8 3HE LYS 8 12.447 -0.079 -2.782 73 1HZ LYS 8 1HZ LYS 8 12.022 1.624 -5.152 74 2HZ LYS 8 2HZ LYS 8 13.463 0.900 -4.795 75 3HZ LYS 8 3HZ LYS 8 12.198 -0.018 -5.088 76 H VAL 9 HN VAL 9 7.084 0.108 -4.179 77 HA VAL 9 HA VAL 9 5.973 -2.666 -4.002 78 HB VAL 9 HB VAL 9 5.473 -0.502 -6.092 79 1HG1 VAL 9 1HG1 VAL 9 4.078 -3.162 -5.511 80 2HG1 VAL 9 2HG1 VAL 9 3.614 -1.986 -6.761 81 3HG1 VAL 9 3HG1 VAL 9 5.162 -2.830 -6.876 82 1HG2 VAL 9 1HG2 VAL 9 3.214 -0.338 -5.034 83 2HG2 VAL 9 2HG2 VAL 9 3.791 -1.347 -3.692 84 3HG2 VAL 9 3HG2 VAL 9 4.505 0.256 -3.981 85 H GLU 10 HN GLU 10 8.209 -3.462 -3.982 86 HA GLU 10 HA GLU 10 9.922 -2.674 -6.179 87 1HB GLU 10 2HB GLU 10 10.225 -4.237 -3.653 88 2HB GLU 10 3HB GLU 10 11.151 -4.891 -5.000 89 1HG GLU 10 2HG GLU 10 11.263 -2.040 -3.981 90 2HG GLU 10 3HG GLU 10 12.493 -3.294 -3.748 91 H GLY 11 HN GLY 11 11.121 -4.402 -7.388 92 1HA GLY 11 1HA GLY 11 11.081 -6.144 -8.942 93 2HA GLY 11 2HA GLY 11 9.598 -6.770 -8.214 94 H MET 12 HN MET 12 7.838 -4.623 -8.538 95 HA MET 12 HA MET 12 6.946 -4.654 -11.215 96 1HB MET 12 2HB MET 12 6.551 -2.712 -8.913 97 2HB MET 12 3HB MET 12 5.921 -2.384 -10.524 98 1HG MET 12 2HG MET 12 4.166 -3.316 -9.286 99 2HG MET 12 3HG MET 12 4.654 -4.496 -10.507 100 1HE MET 12 1HE MET 12 2.710 -4.862 -7.976 101 2HE MET 12 2HE MET 12 2.991 -6.138 -9.189 102 3HE MET 12 3HE MET 12 3.166 -6.494 -7.453 103 H THR 13 HN THR 13 8.446 -4.253 -12.789 104 HA THR 13 HA THR 13 9.828 -1.602 -12.850 105 HB THR 13 HB THR 13 11.426 -3.107 -14.335 106 HG1 THR 13 1HG THR 13 10.357 -5.064 -12.578 107 1HG2 THR 13 1HG2 THR 13 11.279 -3.356 -11.297 108 2HG2 THR 13 2HG2 THR 13 12.682 -3.759 -12.309 109 3HG2 THR 13 3HG2 THR 13 12.104 -2.085 -12.218 110 H CYS 14 HN CYS 14 7.091 -2.076 -13.806 111 HA CYS 14 HA CYS 14 7.501 -0.847 -16.392 112 1HB CYS 14 2HB CYS 14 7.520 -3.183 -17.128 113 2HB CYS 14 3HB CYS 14 6.004 -3.478 -16.244 114 HG CYS 14 HG CYS 14 5.606 -3.291 -18.855 115 H HIS 15 HN HIS 15 5.856 0.546 -16.838 116 HA HIS 15 HA HIS 15 4.228 1.326 -14.642 117 1HB HIS 15 2HB HIS 15 3.727 3.248 -15.913 118 2HB HIS 15 3HB HIS 15 5.426 2.862 -16.142 119 HD1 HIS 15 1HD HIS 15 5.911 1.559 -18.686 120 HD2 HIS 15 2HD HIS 15 2.347 3.712 -18.051 121 HE1 HIS 15 1HE HIS 15 4.923 2.034 -20.980 122 H SER 16 HN SER 16 3.279 -1.217 -15.291 123 HA SER 16 HA SER 16 0.462 -0.614 -16.061 124 1HB SER 16 2HB SER 16 1.930 -1.547 -17.978 125 2HB SER 16 3HB SER 16 1.907 -3.076 -17.072 126 HG SER 16 HG SER 16 0.193 -2.922 -18.610 127 H CYS 17 HN CYS 17 2.285 -1.385 -13.574 128 HA CYS 17 HA CYS 17 0.332 -3.366 -12.448 129 1HB CYS 17 2HB CYS 17 3.364 -3.336 -12.199 130 2HB CYS 17 3HB CYS 17 2.282 -4.189 -11.068 131 HG CYS 17 HG CYS 17 3.291 -5.915 -12.686 132 H THR 18 HN THR 18 -0.438 -0.969 -12.273 133 HA THR 18 HA THR 18 0.146 -0.157 -9.480 134 HB THR 18 HB THR 18 1.147 1.703 -10.132 135 HG1 THR 18 1HG THR 18 -0.253 3.247 -10.102 136 1HG2 THR 18 1HG2 THR 18 0.103 1.293 -12.944 137 2HG2 THR 18 2HG2 THR 18 1.234 2.567 -12.435 138 3HG2 THR 18 3HG2 THR 18 1.708 0.863 -12.293 139 H SER 19 HN SER 19 -2.051 1.134 -11.966 140 HA SER 19 HA SER 19 -4.155 1.401 -10.351 141 1HB SER 19 2HB SER 19 -4.058 2.251 -12.677 142 2HB SER 19 3HB SER 19 -4.372 0.613 -13.298 143 HG SER 19 HG SER 19 -6.250 2.021 -13.123 144 H THR 20 HN THR 20 -3.631 -1.676 -12.027 145 HA THR 20 HA THR 20 -5.848 -3.063 -11.001 146 HB THR 20 HB THR 20 -3.042 -3.761 -11.865 147 HG1 THR 20 1HG THR 20 -5.608 -4.750 -12.550 148 1HG2 THR 20 1HG2 THR 20 -4.807 -5.681 -10.333 149 2HG2 THR 20 2HG2 THR 20 -3.491 -6.172 -11.436 150 3HG2 THR 20 3HG2 THR 20 -3.122 -5.205 -10.002 151 H ILE 21 HN ILE 21 -2.651 -2.555 -9.394 152 HA ILE 21 HA ILE 21 -3.400 -3.880 -6.970 153 HB ILE 21 HB ILE 21 -1.165 -2.015 -7.851 154 1HG1 ILE 21 2HG1 ILE 21 -0.072 -4.290 -6.809 155 2HG1 ILE 21 3HG1 ILE 21 -1.565 -4.953 -7.455 156 1HG2 ILE 21 1HG2 ILE 21 -1.457 -3.054 -5.040 157 2HG2 ILE 21 2HG2 ILE 21 -0.076 -2.184 -5.769 158 3HG2 ILE 21 3HG2 ILE 21 -1.611 -1.353 -5.564 159 1HD1 ILE 21 1HD1 ILE 21 0.601 -3.405 -8.897 160 2HD1 ILE 21 2HD1 ILE 21 0.170 -5.104 -9.128 161 3HD1 ILE 21 3HD1 ILE 21 -0.941 -3.832 -9.677 162 H GLU 22 HN GLU 22 -3.499 -0.412 -8.027 163 HA GLU 22 HA GLU 22 -4.334 0.656 -5.599 164 1HB GLU 22 2HB GLU 22 -5.198 1.547 -8.399 165 2HB GLU 22 3HB GLU 22 -5.428 2.425 -6.914 166 1HG GLU 22 2HG GLU 22 -2.855 2.285 -6.626 167 2HG GLU 22 3HG GLU 22 -2.812 1.803 -8.316 168 H GLY 23 HN GLY 23 -6.456 -0.037 -8.298 169 1HA GLY 23 1HA GLY 23 -8.967 0.153 -7.142 170 2HA GLY 23 2HA GLY 23 -8.582 -0.914 -8.504 171 H LYS 24 HN LYS 24 -6.965 -2.869 -7.404 172 HA LYS 24 HA LYS 24 -8.874 -4.539 -6.172 173 1HB LYS 24 2HB LYS 24 -6.850 -5.279 -7.473 174 2HB LYS 24 3HB LYS 24 -5.841 -4.769 -6.126 175 1HG LYS 24 2HG LYS 24 -5.986 -7.038 -5.907 176 2HG LYS 24 3HG LYS 24 -7.113 -6.496 -4.673 177 1HD LYS 24 2HD LYS 24 -8.107 -7.157 -7.475 178 2HD LYS 24 3HD LYS 24 -7.614 -8.479 -6.414 179 1HE LYS 24 2HE LYS 24 -9.246 -7.898 -4.727 180 2HE LYS 24 3HE LYS 24 -9.728 -6.436 -5.590 181 1HZ LYS 24 1HZ LYS 24 -10.063 -9.178 -6.604 182 2HZ LYS 24 2HZ LYS 24 -11.251 -8.226 -5.989 183 3HZ LYS 24 3HZ LYS 24 -10.508 -7.804 -7.392 184 H ILE 25 HN ILE 25 -5.998 -2.872 -4.757 185 HA ILE 25 HA ILE 25 -6.457 -3.725 -2.108 186 HB ILE 25 HB ILE 25 -4.851 -1.551 -3.422 187 1HG1 ILE 25 2HG1 ILE 25 -4.104 -3.832 -3.897 188 2HG1 ILE 25 3HG1 ILE 25 -2.925 -2.833 -3.044 189 1HG2 ILE 25 1HG2 ILE 25 -3.613 -1.200 -1.402 190 2HG2 ILE 25 2HG2 ILE 25 -5.262 -0.584 -1.367 191 3HG2 ILE 25 3HG2 ILE 25 -4.871 -2.082 -0.485 192 1HD1 ILE 25 1HD1 ILE 25 -4.726 -4.954 -1.842 193 2HD1 ILE 25 2HD1 ILE 25 -2.978 -5.071 -2.113 194 3HD1 ILE 25 3HD1 ILE 25 -3.617 -3.908 -0.926 195 H GLY 26 HN GLY 26 -7.723 -1.031 -3.979 196 1HA GLY 26 1HA GLY 26 -8.854 0.589 -2.027 197 2HA GLY 26 2HA GLY 26 -9.540 0.269 -3.624 198 H LYS 27 HN LYS 27 -9.760 -2.808 -2.693 199 HA LYS 27 HA LYS 27 -12.432 -2.432 -1.497 200 1HB LYS 27 2HB LYS 27 -11.020 -4.562 -3.051 201 2HB LYS 27 3HB LYS 27 -12.321 -4.998 -1.973 202 1HG LYS 27 2HG LYS 27 -12.621 -2.664 -3.887 203 2HG LYS 27 3HG LYS 27 -12.812 -4.283 -4.505 204 1HD LYS 27 2HD LYS 27 -14.440 -3.377 -2.086 205 2HD LYS 27 3HD LYS 27 -14.899 -2.909 -3.716 206 1HE LYS 27 2HE LYS 27 -16.163 -4.864 -3.085 207 2HE LYS 27 3HE LYS 27 -15.088 -5.246 -4.434 208 1HZ LYS 27 1HZ LYS 27 -14.577 -5.899 -1.601 209 2HZ LYS 27 2HZ LYS 27 -15.102 -6.958 -2.747 210 3HZ LYS 27 3HZ LYS 27 -13.603 -6.289 -2.867 211 H LEU 28 HN LEU 28 -9.170 -2.893 -0.360 212 HA LEU 28 HA LEU 28 -9.662 -4.960 1.434 213 1HB LEU 28 2HB LEU 28 -7.618 -2.735 1.428 214 2HB LEU 28 3HB LEU 28 -7.611 -4.090 2.539 215 HG LEU 28 HG LEU 28 -6.305 -3.939 0.077 216 1HD1 LEU 28 1HD1 LEU 28 -5.582 -6.170 0.702 217 2HD1 LEU 28 2HD1 LEU 28 -5.622 -5.084 2.109 218 3HD1 LEU 28 3HD1 LEU 28 -6.940 -6.269 1.869 219 1HD2 LEU 28 1HD2 LEU 28 -8.485 -6.072 0.008 220 2HD2 LEU 28 2HD2 LEU 28 -8.342 -4.719 -1.143 221 3HD2 LEU 28 3HD2 LEU 28 -7.107 -5.978 -1.100 222 H GLN 29 HN GLN 29 -10.263 -5.020 3.436 223 HA GLN 29 HA GLN 29 -11.811 -3.007 4.703 224 1HB GLN 29 2HB GLN 29 -11.907 -4.515 6.593 225 2HB GLN 29 3HB GLN 29 -12.148 -5.348 5.054 226 1HG GLN 29 2HG GLN 29 -9.483 -5.674 5.273 227 2HG GLN 29 3HG GLN 29 -9.865 -5.513 6.988 228 1HE2 GLN 29 2HE2 GLN 29 -8.857 -7.897 5.462 229 2HE2 GLN 29 1HE2 GLN 29 -10.072 -9.135 5.702 230 H GLY 30 HN GLY 30 -10.848 -1.053 5.041 231 1HA GLY 30 1HA GLY 30 -9.766 0.061 7.005 232 2HA GLY 30 2HA GLY 30 -8.352 -0.961 6.724 233 H VAL 31 HN VAL 31 -8.966 -0.561 3.593 234 HA VAL 31 HA VAL 31 -7.234 1.811 3.427 235 HB VAL 31 HB VAL 31 -8.213 -0.387 1.577 236 1HG1 VAL 31 1HG1 VAL 31 -8.403 1.555 0.241 237 2HG1 VAL 31 2HG1 VAL 31 -6.819 2.181 0.785 238 3HG1 VAL 31 3HG1 VAL 31 -6.919 0.718 -0.230 239 1HG2 VAL 31 1HG2 VAL 31 -5.421 0.610 2.302 240 2HG2 VAL 31 2HG2 VAL 31 -6.215 -0.792 3.052 241 3HG2 VAL 31 3HG2 VAL 31 -5.815 -0.817 1.327 242 H GLN 32 HN GLN 32 -7.968 3.800 2.776 243 HA GLN 32 HA GLN 32 -10.744 3.904 1.649 244 1HB GLN 32 2HB GLN 32 -11.072 6.047 2.575 245 2HB GLN 32 3HB GLN 32 -10.735 4.877 3.857 246 1HG GLN 32 2HG GLN 32 -8.423 5.720 4.014 247 2HG GLN 32 3HG GLN 32 -8.769 6.863 2.678 248 1HE2 GLN 32 2HE2 GLN 32 -8.648 8.872 3.644 249 2HE2 GLN 32 1HE2 GLN 32 -9.493 9.305 5.113 250 H ARG 33 HN ARG 33 -7.329 5.111 1.280 251 HA ARG 33 HA ARG 33 -8.058 5.602 -1.527 252 1HB ARG 33 2HB ARG 33 -7.906 7.792 0.222 253 2HB ARG 33 3HB ARG 33 -6.259 7.677 -0.398 254 1HG ARG 33 2HG ARG 33 -7.343 9.122 -1.893 255 2HG ARG 33 3HG ARG 33 -7.324 7.568 -2.748 256 1HD ARG 33 2HD ARG 33 -9.678 7.360 -1.380 257 2HD ARG 33 3HD ARG 33 -9.601 9.117 -1.518 258 HE ARG 33 HE ARG 33 -9.088 8.076 -4.085 259 1HH1 ARG 33 1HH2 ARG 33 -11.697 7.896 -1.720 260 2HH1 ARG 33 2HH2 ARG 33 -12.965 7.670 -2.882 261 1HH2 ARG 33 1HH1 ARG 33 -10.738 7.714 -5.671 262 2HH2 ARG 33 2HH1 ARG 33 -12.393 7.553 -5.186 263 H ILE 34 HN ILE 34 -6.150 5.795 -2.916 264 HA ILE 34 HA ILE 34 -3.618 4.824 -1.880 265 HB ILE 34 HB ILE 34 -4.924 2.789 -2.142 266 1HG1 ILE 34 2HG1 ILE 34 -3.095 2.751 -4.517 267 2HG1 ILE 34 3HG1 ILE 34 -2.414 3.110 -2.934 268 1HG2 ILE 34 1HG2 ILE 34 -5.337 3.610 -5.057 269 2HG2 ILE 34 2HG2 ILE 34 -5.746 2.031 -4.403 270 3HG2 ILE 34 3HG2 ILE 34 -6.596 3.459 -3.823 271 1HD1 ILE 34 1HD1 ILE 34 -4.107 0.641 -3.454 272 2HD1 ILE 34 2HD1 ILE 34 -2.328 0.673 -3.477 273 3HD1 ILE 34 3HD1 ILE 34 -3.222 1.054 -1.991 274 H LYS 35 HN LYS 35 -1.915 5.406 -3.163 275 HA LYS 35 HA LYS 35 -2.316 6.174 -6.001 276 1HB LYS 35 2HB LYS 35 -1.090 7.899 -3.798 277 2HB LYS 35 3HB LYS 35 -0.476 7.947 -5.443 278 1HG LYS 35 2HG LYS 35 -1.853 9.673 -5.583 279 2HG LYS 35 3HG LYS 35 -2.937 8.406 -6.165 280 1HD LYS 35 2HD LYS 35 -4.048 8.347 -3.964 281 2HD LYS 35 3HD LYS 35 -2.852 9.468 -3.290 282 1HE LYS 35 2HE LYS 35 -3.583 11.251 -4.808 283 2HE LYS 35 3HE LYS 35 -4.655 10.136 -5.673 284 1HZ LYS 35 1HZ LYS 35 -4.981 10.943 -2.860 285 2HZ LYS 35 2HZ LYS 35 -5.839 11.525 -4.136 286 3HZ LYS 35 3HZ LYS 35 -5.978 9.943 -3.714 287 H VAL 36 HN VAL 36 -1.076 4.538 -6.942 288 HA VAL 36 HA VAL 36 1.533 3.777 -5.687 289 HB VAL 36 HB VAL 36 -0.161 2.399 -7.786 290 1HG1 VAL 36 1HG1 VAL 36 2.274 2.026 -8.224 291 2HG1 VAL 36 2HG1 VAL 36 2.508 1.568 -6.540 292 3HG1 VAL 36 3HG1 VAL 36 1.511 0.558 -7.599 293 1HG2 VAL 36 1HG2 VAL 36 -0.945 2.228 -5.367 294 2HG2 VAL 36 2HG2 VAL 36 -0.518 0.690 -6.133 295 3HG2 VAL 36 3HG2 VAL 36 0.598 1.452 -4.988 296 H SER 37 HN SER 37 3.345 4.693 -6.539 297 HA SER 37 HA SER 37 3.169 6.039 -9.197 298 1HB SER 37 2HB SER 37 3.520 7.445 -7.172 299 2HB SER 37 3HB SER 37 5.045 6.583 -6.894 300 HG SER 37 HG SER 37 5.186 8.583 -8.164 301 H LEU 38 HN LEU 38 3.545 3.979 -10.269 302 HA LEU 38 HA LEU 38 5.529 2.183 -9.710 303 1HB LEU 38 2HB LEU 38 3.558 2.433 -11.580 304 2HB LEU 38 3HB LEU 38 4.936 2.769 -12.612 305 HG LEU 38 HG LEU 38 4.191 0.482 -12.613 306 1HD1 LEU 38 1HD1 LEU 38 6.617 0.935 -13.029 307 2HD1 LEU 38 2HD1 LEU 38 6.952 0.641 -11.307 308 3HD1 LEU 38 3HD1 LEU 38 6.349 -0.672 -12.322 309 1HD2 LEU 38 1HD2 LEU 38 4.199 -1.034 -10.872 310 2HD2 LEU 38 2HD2 LEU 38 5.091 0.024 -9.769 311 3HD2 LEU 38 3HD2 LEU 38 3.411 0.410 -10.218 312 H ASP 39 HN ASP 39 5.824 5.024 -11.960 313 HA ASP 39 HA ASP 39 8.419 4.955 -12.736 314 1HB ASP 39 2HB ASP 39 7.039 7.377 -11.491 315 2HB ASP 39 3HB ASP 39 8.344 7.389 -12.661 316 H ASN 40 HN ASN 40 7.183 6.150 -9.592 317 HA ASN 40 HA ASN 40 9.797 6.928 -8.790 318 1HB ASN 40 2HB ASN 40 7.523 7.943 -8.070 319 2HB ASN 40 3HB ASN 40 7.507 6.678 -6.836 320 1HD2 ASN 40 2HD2 ASN 40 8.603 7.289 -4.832 321 2HD2 ASN 40 1HD2 ASN 40 9.729 8.612 -4.800 322 H GLN 41 HN GLN 41 8.238 3.948 -8.913 323 HA GLN 41 HA GLN 41 8.455 1.904 -8.109 324 1HB GLN 41 2HB GLN 41 11.117 2.688 -6.864 325 2HB GLN 41 3HB GLN 41 10.584 1.104 -7.477 326 1HG GLN 41 2HG GLN 41 10.223 2.339 -9.715 327 2HG GLN 41 3HG GLN 41 11.177 3.637 -9.003 328 1HE2 GLN 41 2HE2 GLN 41 11.333 0.445 -10.449 329 2HE2 GLN 41 1HE2 GLN 41 13.079 0.272 -10.341 330 H GLU 42 HN GLU 42 7.264 3.996 -6.637 331 HA GLU 42 HA GLU 42 7.184 2.856 -3.880 332 1HB GLU 42 2HB GLU 42 8.743 5.064 -4.412 333 2HB GLU 42 3HB GLU 42 7.200 5.838 -4.033 334 1HG GLU 42 2HG GLU 42 7.158 4.655 -1.854 335 2HG GLU 42 3HG GLU 42 8.667 3.820 -2.264 336 H ALA 43 HN ALA 43 5.311 3.619 -2.610 337 HA ALA 43 HA ALA 43 3.045 4.692 -4.200 338 1HB ALA 43 1HB ALA 43 2.923 2.228 -4.413 339 2HB ALA 43 2HB ALA 43 3.051 2.059 -2.660 340 3HB ALA 43 3HB ALA 43 1.616 2.828 -3.363 341 H THR 44 HN THR 44 1.298 5.389 -2.864 342 HA THR 44 HA THR 44 1.931 6.053 -0.048 343 HB THR 44 HB THR 44 0.938 7.742 -2.384 344 HG1 THR 44 1HG THR 44 2.795 8.914 -1.912 345 1HG2 THR 44 1HG2 THR 44 1.110 8.417 0.570 346 2HG2 THR 44 2HG2 THR 44 0.820 9.600 -0.731 347 3HG2 THR 44 3HG2 THR 44 -0.369 8.326 -0.418 348 H ILE 45 HN ILE 45 0.401 4.735 0.981 349 HA ILE 45 HA ILE 45 -2.343 4.615 -0.155 350 HB ILE 45 HB ILE 45 -1.087 2.602 1.682 351 1HG1 ILE 45 2HG1 ILE 45 -0.897 2.811 -1.339 352 2HG1 ILE 45 3HG1 ILE 45 0.446 2.790 -0.181 353 1HG2 ILE 45 1HG2 ILE 45 -3.523 2.486 1.493 354 2HG2 ILE 45 2HG2 ILE 45 -3.436 2.623 -0.270 355 3HG2 ILE 45 3HG2 ILE 45 -2.857 1.170 0.546 356 1HD1 ILE 45 1HD1 ILE 45 -1.310 0.494 -0.896 357 2HD1 ILE 45 2HD1 ILE 45 0.456 0.693 -1.028 358 3HD1 ILE 45 3HD1 ILE 45 -0.308 0.597 0.581 359 H VAL 46 HN VAL 46 -4.133 4.541 1.510 360 HA VAL 46 HA VAL 46 -3.373 5.907 4.000 361 HB VAL 46 HB VAL 46 -4.013 7.513 2.099 362 1HG1 VAL 46 1HG1 VAL 46 -6.054 6.429 1.610 363 2HG1 VAL 46 2HG1 VAL 46 -6.659 6.829 3.246 364 3HG1 VAL 46 3HG1 VAL 46 -6.318 8.133 2.076 365 1HG2 VAL 46 1HG2 VAL 46 -5.205 7.617 4.905 366 2HG2 VAL 46 2HG2 VAL 46 -3.577 8.169 4.466 367 3HG2 VAL 46 3HG2 VAL 46 -4.989 9.032 3.848 368 H TYR 47 HN TYR 47 -4.038 4.816 5.660 369 HA TYR 47 HA TYR 47 -6.594 3.455 5.726 370 1HB TYR 47 2HB TYR 47 -5.701 1.195 5.899 371 2HB TYR 47 3HB TYR 47 -5.251 1.898 4.359 372 HD1 TYR 47 1HD TYR 47 -3.991 0.607 7.551 373 HD2 TYR 47 2HD TYR 47 -2.915 2.547 3.862 374 HE1 TYR 47 1HE TYR 47 -1.844 -0.606 7.535 375 HE2 TYR 47 2HE TYR 47 -0.709 1.447 3.940 376 HH TYR 47 HH TYR 47 0.142 -1.020 6.387 377 H GLN 48 HN GLN 48 -6.524 1.922 7.913 378 HA GLN 48 HA GLN 48 -5.144 3.439 9.991 379 1HB GLN 48 2HB GLN 48 -7.134 4.571 9.904 380 2HB GLN 48 3HB GLN 48 -8.046 3.234 9.194 381 1HG GLN 48 2HG GLN 48 -8.289 2.112 11.260 382 2HG GLN 48 3HG GLN 48 -7.097 3.179 12.007 383 1HE2 GLN 48 2HE2 GLN 48 -10.375 2.571 11.917 384 2HE2 GLN 48 1HE2 GLN 48 -10.992 4.186 12.186 385 HA PRO 49 HA PRO 49 -4.510 -0.710 11.494 386 1HB PRO 49 2HB PRO 49 -3.370 -0.169 13.913 387 2HB PRO 49 3HB PRO 49 -2.538 0.118 12.376 388 1HG PRO 49 2HG PRO 49 -4.052 2.143 14.031 389 2HG PRO 49 3HG PRO 49 -2.405 2.295 13.351 390 1HD PRO 49 2HD PRO 49 -4.575 3.340 12.114 391 2HD PRO 49 3HD PRO 49 -3.243 2.613 11.163 392 H HIS 50 HN HIS 50 -6.932 -0.653 11.424 393 HA HIS 50 HA HIS 50 -7.880 -1.409 14.114 394 1HB HIS 50 2HB HIS 50 -8.582 1.007 13.651 395 2HB HIS 50 3HB HIS 50 -9.580 0.386 12.328 396 HD1 HIS 50 1HD HIS 50 -9.207 -1.041 15.927 397 HD2 HIS 50 2HD HIS 50 -12.002 0.723 13.322 398 HE1 HIS 50 1HE HIS 50 -11.453 -1.064 17.139 399 H LEU 51 HN LEU 51 -8.777 -1.112 10.640 400 HA LEU 51 HA LEU 51 -10.123 -3.732 10.738 401 1HB LEU 51 2HB LEU 51 -9.756 -1.649 8.600 402 2HB LEU 51 3HB LEU 51 -10.517 -3.218 8.295 403 HG LEU 51 HG LEU 51 -11.528 -1.410 10.499 404 1HD1 LEU 51 1HD1 LEU 51 -13.236 -0.584 8.876 405 2HD1 LEU 51 2HD1 LEU 51 -11.598 -0.064 8.459 406 3HD1 LEU 51 3HD1 LEU 51 -12.360 -1.401 7.564 407 1HD2 LEU 51 1HD2 LEU 51 -12.856 -3.594 8.827 408 2HD2 LEU 51 2HD2 LEU 51 -12.338 -3.760 10.517 409 3HD2 LEU 51 3HD2 LEU 51 -13.641 -2.644 10.101 410 H ILE 52 HN ILE 52 -6.928 -2.369 9.765 411 HA ILE 52 HA ILE 52 -6.264 -4.975 8.570 412 HB ILE 52 HB ILE 52 -6.579 -3.104 6.982 413 1HG1 ILE 52 2HG1 ILE 52 -4.571 -3.526 5.709 414 2HG1 ILE 52 3HG1 ILE 52 -3.753 -4.252 7.107 415 1HG2 ILE 52 1HG2 ILE 52 -4.956 -1.390 6.821 416 2HG2 ILE 52 2HG2 ILE 52 -5.661 -1.357 8.453 417 3HG2 ILE 52 3HG2 ILE 52 -4.037 -2.042 8.206 418 1HD1 ILE 52 1HD1 ILE 52 -6.420 -5.273 6.073 419 2HD1 ILE 52 2HD1 ILE 52 -4.881 -5.806 5.356 420 3HD1 ILE 52 3HD1 ILE 52 -5.217 -6.123 7.078 421 H SER 53 HN SER 53 -4.281 -5.900 9.164 422 HA SER 53 HA SER 53 -3.376 -5.120 11.757 423 1HB SER 53 2HB SER 53 -2.262 -7.223 10.013 424 2HB SER 53 3HB SER 53 -2.270 -7.167 11.775 425 HG SER 53 HG SER 53 -3.983 -8.542 10.764 426 H VAL 54 HN VAL 54 -2.714 -3.311 9.681 427 HA VAL 54 HA VAL 54 -1.208 -1.746 9.273 428 HB VAL 54 HB VAL 54 -0.687 -2.542 11.843 429 1HG1 VAL 54 1HG1 VAL 54 1.391 -3.713 11.244 430 2HG1 VAL 54 2HG1 VAL 54 1.938 -2.266 10.351 431 3HG1 VAL 54 3HG1 VAL 54 1.748 -2.215 12.118 432 1HG2 VAL 54 1HG2 VAL 54 -1.116 -0.284 10.842 433 2HG2 VAL 54 2HG2 VAL 54 0.155 -0.314 12.088 434 3HG2 VAL 54 3HG2 VAL 54 0.585 -0.253 10.368 435 H GLU 55 HN GLU 55 0.551 -4.727 9.605 436 HA GLU 55 HA GLU 55 2.364 -4.225 7.352 437 1HB GLU 55 2HB GLU 55 2.988 -5.363 9.497 438 2HB GLU 55 3HB GLU 55 1.829 -6.609 9.028 439 1HG GLU 55 2HG GLU 55 3.977 -7.476 8.531 440 2HG GLU 55 3HG GLU 55 3.283 -7.018 6.963 441 H GLU 56 HN GLU 56 -0.551 -6.147 8.188 442 HA GLU 56 HA GLU 56 -0.648 -8.006 6.187 443 1HB GLU 56 2HB GLU 56 -2.629 -6.657 7.917 444 2HB GLU 56 3HB GLU 56 -3.285 -6.990 6.343 445 1HG GLU 56 2HG GLU 56 -1.958 -9.399 7.162 446 2HG GLU 56 3HG GLU 56 -3.010 -8.851 8.464 447 H MET 57 HN MET 57 -2.070 -4.743 5.909 448 HA MET 57 HA MET 57 -2.932 -4.540 3.398 449 1HB MET 57 2HB MET 57 -2.197 -2.818 5.457 450 2HB MET 57 3HB MET 57 -1.057 -2.340 4.236 451 1HG MET 57 2HG MET 57 -3.973 -2.606 3.507 452 2HG MET 57 3HG MET 57 -3.492 -1.306 4.568 453 1HE MET 57 1HE MET 57 -2.134 -1.478 0.188 454 2HE MET 57 2HE MET 57 -1.300 -2.478 1.354 455 3HE MET 57 3HE MET 57 -3.020 -2.791 1.012 456 H LYS 58 HN LYS 58 0.551 -4.331 4.298 457 HA LYS 58 HA LYS 58 1.376 -4.065 1.519 458 1HB LYS 58 2HB LYS 58 2.595 -3.012 3.409 459 2HB LYS 58 3HB LYS 58 3.008 -4.595 4.054 460 1HG LYS 58 2HG LYS 58 3.650 -4.112 1.158 461 2HG LYS 58 3HG LYS 58 4.563 -3.153 2.293 462 1HD LYS 58 2HD LYS 58 4.261 -6.163 2.636 463 2HD LYS 58 3HD LYS 58 5.473 -5.476 1.577 464 1HE LYS 58 2HE LYS 58 6.085 -4.105 3.827 465 2HE LYS 58 3HE LYS 58 5.222 -5.417 4.582 466 1HZ LYS 58 1HZ LYS 58 7.523 -5.797 2.721 467 2HZ LYS 58 2HZ LYS 58 7.585 -5.877 4.389 468 3HZ LYS 58 3HZ LYS 58 6.706 -6.951 3.491 469 H LYS 59 HN LYS 59 1.231 -6.706 3.945 470 HA LYS 59 HA LYS 59 2.716 -8.560 2.380 471 1HB LYS 59 2HB LYS 59 0.463 -9.180 4.330 472 2HB LYS 59 3HB LYS 59 1.686 -10.300 3.724 473 1HG LYS 59 2HG LYS 59 2.061 -7.965 5.568 474 2HG LYS 59 3HG LYS 59 2.352 -9.667 5.895 475 1HD LYS 59 2HD LYS 59 4.101 -9.308 3.810 476 2HD LYS 59 3HD LYS 59 4.108 -7.663 4.432 477 1HE LYS 59 2HE LYS 59 4.540 -8.873 6.776 478 2HE LYS 59 3HE LYS 59 4.787 -10.327 5.810 479 1HZ LYS 59 1HZ LYS 59 6.276 -7.849 5.923 480 2HZ LYS 59 2HZ LYS 59 6.874 -9.395 6.027 481 3HZ LYS 59 3HZ LYS 59 6.383 -8.813 4.547 482 H GLN 60 HN GLN 60 -0.606 -7.463 1.993 483 HA GLN 60 HA GLN 60 -1.493 -9.650 0.369 484 1HB GLN 60 2HB GLN 60 -2.281 -6.729 0.293 485 2HB GLN 60 3HB GLN 60 -3.174 -8.080 -0.377 486 1HG GLN 60 2HG GLN 60 -2.539 -8.579 2.435 487 2HG GLN 60 3HG GLN 60 -3.253 -6.980 2.275 488 1HE2 GLN 60 2HE2 GLN 60 -4.549 -8.983 3.823 489 2HE2 GLN 60 1HE2 GLN 60 -5.986 -9.457 2.942 490 H ILE 61 HN ILE 61 0.140 -6.604 -0.217 491 HA ILE 61 HA ILE 61 0.437 -6.938 -3.097 492 HB ILE 61 HB ILE 61 1.864 -5.115 -1.177 493 1HG1 ILE 61 2HG1 ILE 61 0.623 -3.519 -2.980 494 2HG1 ILE 61 3HG1 ILE 61 -0.467 -4.888 -3.117 495 1HG2 ILE 61 1HG2 ILE 61 2.065 -5.250 -4.232 496 2HG2 ILE 61 2HG2 ILE 61 2.800 -4.015 -3.182 497 3HG2 ILE 61 3HG2 ILE 61 3.374 -5.681 -3.121 498 1HD1 ILE 61 1HD1 ILE 61 0.320 -3.498 -0.525 499 2HD1 ILE 61 2HD1 ILE 61 -1.155 -3.161 -1.447 500 3HD1 ILE 61 3HD1 ILE 61 -0.926 -4.765 -0.723 501 H GLU 62 HN GLU 62 2.594 -7.781 -0.302 502 HA GLU 62 HA GLU 62 4.795 -8.662 -1.820 503 1HB GLU 62 2HB GLU 62 3.814 -9.950 0.738 504 2HB GLU 62 3HB GLU 62 5.344 -10.232 -0.099 505 1HG GLU 62 2HG GLU 62 5.639 -7.649 0.005 506 2HG GLU 62 3HG GLU 62 4.420 -7.725 1.261 507 H ALA 63 HN ALA 63 1.929 -10.349 -0.658 508 HA ALA 63 HA ALA 63 2.310 -12.908 -1.664 509 1HB ALA 63 1HB ALA 63 -0.250 -11.465 -0.893 510 2HB ALA 63 2HB ALA 63 -0.064 -13.227 -1.039 511 3HB ALA 63 3HB ALA 63 0.840 -12.334 0.203 512 H MET 64 HN MET 64 1.100 -10.089 -3.460 513 HA MET 64 HA MET 64 -0.220 -11.501 -5.569 514 1HB MET 64 2HB MET 64 1.586 -9.038 -5.700 515 2HB MET 64 3HB MET 64 0.567 -9.633 -7.009 516 1HG MET 64 2HG MET 64 -0.432 -8.609 -4.343 517 2HG MET 64 3HG MET 64 -0.482 -7.762 -5.889 518 1HE MET 64 1HE MET 64 -4.230 -8.364 -5.196 519 2HE MET 64 2HE MET 64 -2.915 -7.800 -4.138 520 3HE MET 64 3HE MET 64 -3.031 -7.197 -5.813 521 H GLY 65 HN GLY 65 3.145 -11.138 -4.664 522 1HA GLY 65 1HA GLY 65 4.541 -13.087 -5.107 523 2HA GLY 65 2HA GLY 65 3.956 -13.129 -6.776 524 H PHE 66 HN PHE 66 5.037 -10.413 -4.686 525 HA PHE 66 HA PHE 66 7.364 -9.858 -6.435 526 1HB PHE 66 2HB PHE 66 5.025 -7.971 -5.951 527 2HB PHE 66 3HB PHE 66 6.613 -7.430 -6.473 528 HD1 PHE 66 1HD PHE 66 7.606 -8.281 -8.623 529 HD2 PHE 66 2HD PHE 66 3.502 -9.040 -7.554 530 HE1 PHE 66 1HE PHE 66 7.127 -8.938 -10.938 531 HE2 PHE 66 2HE PHE 66 2.980 -9.549 -9.910 532 HZ PHE 66 HZ PHE 66 4.791 -9.510 -11.630 533 HA PRO 67 HA PRO 67 8.418 -9.048 -2.076 534 1HB PRO 67 2HB PRO 67 10.879 -7.837 -2.347 535 2HB PRO 67 3HB PRO 67 10.632 -9.591 -2.591 536 1HG PRO 67 2HG PRO 67 10.754 -7.429 -4.710 537 2HG PRO 67 3HG PRO 67 11.610 -8.997 -4.696 538 1HD PRO 67 2HD PRO 67 9.280 -8.604 -6.064 539 2HD PRO 67 3HD PRO 67 9.623 -10.171 -5.266 540 H ALA 68 HN ALA 68 7.372 -7.402 -0.943 541 HA ALA 68 HA ALA 68 7.742 -4.629 -1.953 542 1HB ALA 68 1HB ALA 68 5.574 -5.656 -2.660 543 2HB ALA 68 2HB ALA 68 5.108 -5.763 -0.951 544 3HB ALA 68 3HB ALA 68 5.416 -4.179 -1.686 545 H PHE 69 HN PHE 69 6.606 -3.195 -0.060 546 HA PHE 69 HA PHE 69 7.779 -3.883 2.435 547 1HB PHE 69 2HB PHE 69 9.693 -3.155 0.573 548 2HB PHE 69 3HB PHE 69 9.383 -1.653 1.437 549 HD1 PHE 69 1HD PHE 69 10.557 -5.135 1.758 550 HD2 PHE 69 2HD PHE 69 9.807 -1.438 3.870 551 HE1 PHE 69 1HE PHE 69 11.647 -6.055 3.772 552 HE2 PHE 69 2HE PHE 69 10.728 -2.441 5.928 553 HZ PHE 69 HZ PHE 69 11.808 -4.683 5.851 554 H VAL 70 HN VAL 70 7.659 -2.239 4.031 555 HA VAL 70 HA VAL 70 5.611 -0.169 3.498 556 HB VAL 70 HB VAL 70 4.633 -2.258 4.367 557 1HG1 VAL 70 1HG1 VAL 70 6.058 -1.450 6.884 558 2HG1 VAL 70 2HG1 VAL 70 4.990 -2.851 6.633 559 3HG1 VAL 70 3HG1 VAL 70 6.582 -2.784 5.825 560 1HG2 VAL 70 1HG2 VAL 70 3.461 -0.161 4.653 561 2HG2 VAL 70 2HG2 VAL 70 3.276 -1.167 6.091 562 3HG2 VAL 70 3HG2 VAL 70 4.412 0.197 6.123 563 H LYS 71 HN LYS 71 6.433 1.789 4.103 564 HA LYS 71 HA LYS 71 8.967 1.845 5.568 565 1HB LYS 71 2HB LYS 71 7.203 4.145 4.662 566 2HB LYS 71 3HB LYS 71 8.807 4.254 5.408 567 1HG LYS 71 2HG LYS 71 9.333 2.470 3.385 568 2HG LYS 71 3HG LYS 71 8.059 3.423 2.625 569 1HD LYS 71 2HD LYS 71 10.628 4.466 3.903 570 2HD LYS 71 3HD LYS 71 10.351 4.284 2.161 571 1HE LYS 71 2HE LYS 71 8.696 6.005 2.107 572 2HE LYS 71 3HE LYS 71 8.571 6.079 3.875 573 1HZ LYS 71 1HZ LYS 71 10.914 6.868 2.292 574 2HZ LYS 71 2HZ LYS 71 9.855 7.881 3.043 575 3HZ LYS 71 3HZ LYS 71 10.819 6.903 3.941 576 H LYS 72 HN LYS 72 5.882 3.578 6.412 577 HA LYS 72 HA LYS 72 5.992 2.541 9.098 578 1HB LYS 72 2HB LYS 72 7.409 5.023 8.538 579 2HB LYS 72 3HB LYS 72 5.975 5.391 9.501 580 1HG LYS 72 2HG LYS 72 6.635 3.599 11.123 581 2HG LYS 72 3HG LYS 72 8.129 3.349 10.192 582 1HD LYS 72 2HD LYS 72 8.768 5.712 10.585 583 2HD LYS 72 3HD LYS 72 7.236 5.990 11.448 584 1HE LYS 72 2HE LYS 72 7.895 4.238 13.127 585 2HE LYS 72 3HE LYS 72 9.456 4.062 12.306 586 1HZ LYS 72 1HZ LYS 72 8.440 6.523 13.581 587 2HZ LYS 72 2HZ LYS 72 9.587 5.522 14.198 588 3HZ LYS 72 3HZ LYS 72 9.898 6.374 12.827 589 H ILE 73 HN ILE 73 4.034 2.681 10.085 590 HA ILE 73 HA ILE 73 1.854 4.246 8.891 591 HB ILE 73 HB ILE 73 1.618 2.432 7.550 592 1HG1 ILE 73 2HG1 ILE 73 -0.242 0.990 8.434 593 2HG1 ILE 73 3HG1 ILE 73 -0.178 1.896 9.934 594 1HG2 ILE 73 1HG2 ILE 73 1.842 0.057 8.269 595 2HG2 ILE 73 2HG2 ILE 73 3.312 1.031 8.249 596 3HG2 ILE 73 3HG2 ILE 73 2.534 0.675 9.794 597 1HD1 ILE 73 1HD1 ILE 73 -0.723 3.023 7.159 598 2HD1 ILE 73 2HD1 ILE 73 -1.882 2.834 8.489 599 3HD1 ILE 73 3HD1 ILE 73 -0.549 3.995 8.634 600 H GLU 74 HN GLU 74 1.428 5.377 10.905 601 HA GLU 74 HA GLU 74 0.135 3.777 12.888 602 1HB GLU 74 2HB GLU 74 1.535 4.521 14.821 603 2HB GLU 74 3HB GLU 74 2.382 3.449 13.720 604 1HG GLU 74 2HG GLU 74 3.987 5.048 14.217 605 2HG GLU 74 3HG GLU 74 3.408 5.578 12.636 606 H GLY 75 HN GLY 75 -1.054 5.032 14.410 607 1HA GLY 75 1HA GLY 75 -1.456 7.620 14.835 608 2HA GLY 75 2HA GLY 75 -2.128 7.464 13.196 609 H ARG 76 HN ARG 76 -4.215 8.042 14.597 610 HA ARG 76 HA ARG 76 -5.734 5.637 14.983 611 1HB ARG 76 2HB ARG 76 -4.700 5.773 17.200 612 2HB ARG 76 3HB ARG 76 -5.071 7.506 17.309 613 1HG ARG 76 2HG ARG 76 -7.463 7.072 17.349 614 2HG ARG 76 3HG ARG 76 -7.217 5.344 17.056 615 1HD ARG 76 2HD ARG 76 -6.158 6.884 19.463 616 2HD ARG 76 3HD ARG 76 -7.691 5.975 19.454 617 HE ARG 76 HE ARG 76 -5.768 4.172 18.565 618 1HH1 ARG 76 1HH2 ARG 76 -6.273 6.078 21.474 619 2HH1 ARG 76 2HH2 ARG 76 -5.561 4.933 22.569 620 1HH2 ARG 76 1HH1 ARG 76 -4.849 2.581 19.977 621 2HH2 ARG 76 2HH1 ARG 76 -4.737 2.877 21.681 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -10.519 8.877 9.259 2 2H GLY 1 2H GLY 1 -11.109 9.003 10.834 3 3H GLY 1 3H GLY 1 -9.817 9.874 10.241 4 1HA GLY 1 1HA GLY 1 -8.708 8.288 11.473 5 2HA GLY 1 2HA GLY 1 -9.876 7.053 10.974 6 H GLU 2 HN GLU 2 -7.433 9.305 9.530 7 HA GLU 2 HA GLU 2 -6.874 7.275 7.414 8 1HB GLU 2 2HB GLU 2 -6.559 9.424 6.000 9 2HB GLU 2 3HB GLU 2 -8.147 8.691 6.222 10 1HG GLU 2 2HG GLU 2 -7.132 11.136 7.707 11 2HG GLU 2 3HG GLU 2 -8.206 11.148 6.301 12 H VAL 3 HN VAL 3 -5.086 6.454 8.283 13 HA VAL 3 HA VAL 3 -2.768 8.128 8.964 14 HB VAL 3 HB VAL 3 -3.790 5.397 9.658 15 1HG1 VAL 3 1HG1 VAL 3 -1.880 4.574 8.561 16 2HG1 VAL 3 2HG1 VAL 3 -0.861 5.873 9.188 17 3HG1 VAL 3 3HG1 VAL 3 -1.486 4.625 10.286 18 1HG2 VAL 3 1HG2 VAL 3 -2.902 5.897 11.815 19 2HG2 VAL 3 2HG2 VAL 3 -2.116 7.360 11.204 20 3HG2 VAL 3 3HG2 VAL 3 -3.884 7.252 11.228 21 H VAL 4 HN VAL 4 -0.972 8.038 7.653 22 HA VAL 4 HA VAL 4 -1.355 7.053 4.919 23 HB VAL 4 HB VAL 4 0.538 9.031 6.258 24 1HG1 VAL 4 1HG1 VAL 4 1.726 7.922 4.484 25 2HG1 VAL 4 2HG1 VAL 4 0.335 8.107 3.382 26 3HG1 VAL 4 3HG1 VAL 4 1.253 9.538 3.928 27 1HG2 VAL 4 1HG2 VAL 4 -1.742 9.380 4.248 28 2HG2 VAL 4 2HG2 VAL 4 -1.782 9.871 5.955 29 3HG2 VAL 4 3HG2 VAL 4 -0.674 10.671 4.835 30 H LEU 5 HN LEU 5 -0.221 5.386 4.178 31 HA LEU 5 HA LEU 5 2.054 4.222 5.729 32 1HB LEU 5 2HB LEU 5 0.436 2.602 5.674 33 2HB LEU 5 3HB LEU 5 -0.161 3.041 4.081 34 HG LEU 5 HG LEU 5 0.899 0.838 4.152 35 1HD1 LEU 5 1HD1 LEU 5 2.591 2.411 2.275 36 2HD1 LEU 5 2HD1 LEU 5 1.778 0.851 2.112 37 3HD1 LEU 5 3HD1 LEU 5 0.829 2.336 2.103 38 1HD2 LEU 5 1HD2 LEU 5 2.625 0.780 5.613 39 2HD2 LEU 5 2HD2 LEU 5 3.448 0.748 4.064 40 3HD2 LEU 5 3HD2 LEU 5 3.408 2.255 4.997 41 H LYS 6 HN LYS 6 3.916 4.374 4.728 42 HA LYS 6 HA LYS 6 4.099 5.048 1.799 43 1HB LYS 6 2HB LYS 6 5.498 6.054 4.178 44 2HB LYS 6 3HB LYS 6 6.636 5.386 3.027 45 1HG LYS 6 2HG LYS 6 4.492 7.342 2.095 46 2HG LYS 6 3HG LYS 6 5.917 7.901 2.965 47 1HD LYS 6 2HD LYS 6 7.071 6.261 1.041 48 2HD LYS 6 3HD LYS 6 5.694 6.932 0.165 49 1HE LYS 6 2HE LYS 6 6.463 9.254 0.916 50 2HE LYS 6 3HE LYS 6 7.862 8.479 1.687 51 1HZ LYS 6 1HZ LYS 6 7.341 8.409 -1.221 52 2HZ LYS 6 2HZ LYS 6 8.480 9.310 -0.452 53 3HZ LYS 6 3HZ LYS 6 8.542 7.667 -0.466 54 H MET 7 HN MET 7 4.667 3.309 0.570 55 HA MET 7 HA MET 7 6.304 1.172 1.826 56 1HB MET 7 2HB MET 7 5.031 -0.489 0.681 57 2HB MET 7 3HB MET 7 4.017 0.381 1.834 58 1HG MET 7 2HG MET 7 3.097 1.696 -0.131 59 2HG MET 7 3HG MET 7 4.093 0.672 -1.181 60 1HE MET 7 1HE MET 7 0.481 -0.707 -1.999 61 2HE MET 7 2HE MET 7 0.990 0.979 -1.780 62 3HE MET 7 3HE MET 7 1.996 -0.163 -2.719 63 H LYS 8 HN LYS 8 7.793 0.254 0.544 64 HA LYS 8 HA LYS 8 8.302 1.439 -2.120 65 1HB LYS 8 2HB LYS 8 9.903 -0.138 -0.149 66 2HB LYS 8 3HB LYS 8 10.190 -0.492 -1.842 67 1HG LYS 8 2HG LYS 8 10.218 2.337 -0.684 68 2HG LYS 8 3HG LYS 8 11.667 1.331 -0.759 69 1HD LYS 8 2HD LYS 8 10.032 2.215 -3.176 70 2HD LYS 8 3HD LYS 8 11.489 2.997 -2.635 71 1HE LYS 8 2HE LYS 8 11.908 0.084 -2.980 72 2HE LYS 8 3HE LYS 8 11.269 0.816 -4.450 73 1HZ LYS 8 1HZ LYS 8 13.690 1.680 -3.020 74 2HZ LYS 8 2HZ LYS 8 13.594 0.693 -4.330 75 3HZ LYS 8 3HZ LYS 8 13.139 2.272 -4.478 76 H VAL 9 HN VAL 9 8.159 0.230 -3.968 77 HA VAL 9 HA VAL 9 6.737 -2.372 -3.873 78 HB VAL 9 HB VAL 9 5.893 -0.010 -5.609 79 1HG1 VAL 9 1HG1 VAL 9 3.887 -1.434 -5.986 80 2HG1 VAL 9 2HG1 VAL 9 5.375 -2.226 -6.505 81 3HG1 VAL 9 3HG1 VAL 9 4.603 -2.711 -4.977 82 1HG2 VAL 9 1HG2 VAL 9 4.720 -0.970 -2.981 83 2HG2 VAL 9 2HG2 VAL 9 5.303 0.660 -3.383 84 3HG2 VAL 9 3HG2 VAL 9 3.848 0.020 -4.160 85 H GLU 10 HN GLU 10 9.039 -2.938 -4.240 86 HA GLU 10 HA GLU 10 10.343 -2.158 -6.688 87 1HB GLU 10 2HB GLU 10 10.808 -4.388 -4.672 88 2HB GLU 10 3HB GLU 10 11.890 -4.083 -6.032 89 1HG GLU 10 2HG GLU 10 11.218 -1.904 -4.018 90 2HG GLU 10 3HG GLU 10 12.549 -3.044 -3.819 91 H GLY 11 HN GLY 11 11.145 -4.017 -8.161 92 1HA GLY 11 1HA GLY 11 10.897 -5.978 -9.330 93 2HA GLY 11 2HA GLY 11 9.510 -6.401 -8.326 94 H MET 12 HN MET 12 7.715 -4.311 -8.894 95 HA MET 12 HA MET 12 6.685 -4.970 -11.490 96 1HB MET 12 2HB MET 12 6.197 -2.503 -9.752 97 2HB MET 12 3HB MET 12 5.357 -2.892 -11.256 98 1HG MET 12 2HG MET 12 3.887 -3.527 -9.661 99 2HG MET 12 3HG MET 12 4.580 -5.059 -10.210 100 1HE MET 12 1HE MET 12 2.762 -4.142 -7.538 101 2HE MET 12 2HE MET 12 3.040 -5.806 -8.094 102 3HE MET 12 3HE MET 12 3.417 -5.352 -6.412 103 H THR 13 HN THR 13 6.832 -3.840 -13.524 104 HA THR 13 HA THR 13 8.824 -1.685 -13.757 105 HB THR 13 HB THR 13 10.093 -3.766 -13.883 106 HG1 THR 13 1HG THR 13 11.138 -3.132 -15.778 107 1HG2 THR 13 1HG2 THR 13 8.536 -4.267 -16.450 108 2HG2 THR 13 2HG2 THR 13 9.863 -5.248 -15.798 109 3HG2 THR 13 3HG2 THR 13 8.310 -5.176 -14.939 110 H CYS 14 HN CYS 14 8.422 -0.329 -15.407 111 HA CYS 14 HA CYS 14 7.152 0.966 -16.716 112 1HB CYS 14 2HB CYS 14 6.596 -1.703 -18.001 113 2HB CYS 14 3HB CYS 14 5.607 -0.304 -18.457 114 HG CYS 14 HG CYS 14 7.480 -0.594 -20.200 115 H HIS 15 HN HIS 15 4.995 1.910 -16.964 116 HA HIS 15 HA HIS 15 3.594 1.603 -14.492 117 1HB HIS 15 2HB HIS 15 3.967 3.744 -15.668 118 2HB HIS 15 3HB HIS 15 2.755 3.271 -16.866 119 HD1 HIS 15 1HD HIS 15 0.313 2.450 -15.441 120 HD2 HIS 15 2HD HIS 15 3.058 5.070 -13.627 121 HE1 HIS 15 1HE HIS 15 -0.928 3.594 -13.502 122 H SER 16 HN SER 16 3.164 -0.691 -14.839 123 HA SER 16 HA SER 16 0.765 -1.376 -16.487 124 1HB SER 16 2HB SER 16 2.859 -2.217 -17.377 125 2HB SER 16 3HB SER 16 3.349 -2.871 -15.814 126 HG SER 16 HG SER 16 2.387 -4.444 -17.251 127 H CYS 17 HN CYS 17 2.547 -3.188 -13.981 128 HA CYS 17 HA CYS 17 0.198 -4.002 -12.562 129 1HB CYS 17 2HB CYS 17 3.175 -4.134 -11.972 130 2HB CYS 17 3HB CYS 17 1.942 -4.777 -10.862 131 HG CYS 17 HG CYS 17 2.995 -6.725 -12.164 132 H THR 18 HN THR 18 -0.654 -1.785 -12.449 133 HA THR 18 HA THR 18 0.004 -0.401 -9.885 134 HB THR 18 HB THR 18 -0.441 1.745 -11.201 135 HG1 THR 18 1HG THR 18 -0.183 -0.076 -13.411 136 1HG2 THR 18 1HG2 THR 18 1.929 0.158 -12.234 137 2HG2 THR 18 2HG2 THR 18 1.785 1.927 -12.142 138 3HG2 THR 18 3HG2 THR 18 1.863 0.962 -10.650 139 H SER 19 HN SER 19 -2.297 0.561 -12.425 140 HA SER 19 HA SER 19 -4.232 0.958 -10.604 141 1HB SER 19 2HB SER 19 -5.008 0.167 -13.437 142 2HB SER 19 3HB SER 19 -5.605 1.535 -12.468 143 HG SER 19 HG SER 19 -4.131 2.287 -14.032 144 H THR 20 HN THR 20 -3.799 -2.070 -12.260 145 HA THR 20 HA THR 20 -5.989 -3.463 -11.269 146 HB THR 20 HB THR 20 -3.040 -4.276 -11.560 147 HG1 THR 20 1HG THR 20 -3.785 -4.947 -13.616 148 1HG2 THR 20 1HG2 THR 20 -5.600 -5.880 -11.377 149 2HG2 THR 20 2HG2 THR 20 -4.019 -6.560 -11.874 150 3HG2 THR 20 3HG2 THR 20 -4.232 -5.897 -10.238 151 H ILE 21 HN ILE 21 -2.807 -3.014 -9.645 152 HA ILE 21 HA ILE 21 -3.520 -4.332 -7.212 153 HB ILE 21 HB ILE 21 -1.301 -2.524 -8.217 154 1HG1 ILE 21 2HG1 ILE 21 0.017 -4.480 -7.159 155 2HG1 ILE 21 3HG1 ILE 21 -1.511 -5.361 -7.143 156 1HG2 ILE 21 1HG2 ILE 21 -1.661 -1.584 -6.037 157 2HG2 ILE 21 2HG2 ILE 21 -1.558 -3.219 -5.308 158 3HG2 ILE 21 3HG2 ILE 21 -0.164 -2.497 -6.165 159 1HD1 ILE 21 1HD1 ILE 21 -0.134 -4.051 -9.513 160 2HD1 ILE 21 2HD1 ILE 21 -0.097 -5.789 -9.148 161 3HD1 ILE 21 3HD1 ILE 21 -1.627 -5.022 -9.628 162 H GLU 22 HN GLU 22 -3.527 -0.879 -8.286 163 HA GLU 22 HA GLU 22 -4.208 0.157 -5.774 164 1HB GLU 22 2HB GLU 22 -4.798 1.251 -8.555 165 2HB GLU 22 3HB GLU 22 -4.980 2.166 -7.075 166 1HG GLU 22 2HG GLU 22 -2.578 1.784 -6.544 167 2HG GLU 22 3HG GLU 22 -2.363 0.947 -8.076 168 H GLY 23 HN GLY 23 -6.337 -0.198 -8.529 169 1HA GLY 23 1HA GLY 23 -8.866 0.177 -7.505 170 2HA GLY 23 2HA GLY 23 -8.493 -0.970 -8.802 171 H LYS 24 HN LYS 24 -7.161 -3.055 -7.637 172 HA LYS 24 HA LYS 24 -9.261 -4.424 -6.277 173 1HB LYS 24 2HB LYS 24 -7.708 -5.686 -7.517 174 2HB LYS 24 3HB LYS 24 -6.312 -5.060 -6.623 175 1HG LYS 24 2HG LYS 24 -6.679 -6.353 -4.769 176 2HG LYS 24 3HG LYS 24 -8.421 -6.481 -5.010 177 1HD LYS 24 2HD LYS 24 -6.718 -7.771 -7.115 178 2HD LYS 24 3HD LYS 24 -6.653 -8.498 -5.501 179 1HE LYS 24 2HE LYS 24 -9.090 -8.729 -5.413 180 2HE LYS 24 3HE LYS 24 -9.269 -7.908 -6.974 181 1HZ LYS 24 1HZ LYS 24 -7.886 -10.482 -6.562 182 2HZ LYS 24 2HZ LYS 24 -9.417 -10.305 -7.130 183 3HZ LYS 24 3HZ LYS 24 -8.151 -9.741 -8.010 184 H ILE 25 HN ILE 25 -6.164 -3.053 -4.945 185 HA ILE 25 HA ILE 25 -6.726 -3.734 -2.270 186 HB ILE 25 HB ILE 25 -5.008 -1.680 -3.688 187 1HG1 ILE 25 2HG1 ILE 25 -4.389 -4.048 -3.989 188 2HG1 ILE 25 3HG1 ILE 25 -3.152 -3.014 -3.273 189 1HG2 ILE 25 1HG2 ILE 25 -5.276 -0.510 -1.780 190 2HG2 ILE 25 2HG2 ILE 25 -5.292 -1.948 -0.750 191 3HG2 ILE 25 3HG2 ILE 25 -3.772 -1.413 -1.506 192 1HD1 ILE 25 1HD1 ILE 25 -5.005 -4.911 -1.806 193 2HD1 ILE 25 2HD1 ILE 25 -3.290 -5.181 -2.152 194 3HD1 ILE 25 3HD1 ILE 25 -3.775 -3.862 -1.053 195 H GLY 26 HN GLY 26 -7.786 -0.986 -4.198 196 1HA GLY 26 1HA GLY 26 -8.883 0.676 -2.247 197 2HA GLY 26 2HA GLY 26 -9.513 0.442 -3.884 198 H LYS 27 HN LYS 27 -9.998 -2.638 -3.032 199 HA LYS 27 HA LYS 27 -12.691 -2.109 -1.987 200 1HB LYS 27 2HB LYS 27 -11.291 -4.378 -3.339 201 2HB LYS 27 3HB LYS 27 -12.647 -4.717 -2.296 202 1HG LYS 27 2HG LYS 27 -12.792 -2.583 -4.468 203 2HG LYS 27 3HG LYS 27 -13.103 -4.291 -4.769 204 1HD LYS 27 2HD LYS 27 -14.854 -4.292 -2.970 205 2HD LYS 27 3HD LYS 27 -14.660 -2.535 -2.825 206 1HE LYS 27 2HE LYS 27 -15.267 -2.290 -5.245 207 2HE LYS 27 3HE LYS 27 -15.511 -4.043 -5.345 208 1HZ LYS 27 1HZ LYS 27 -17.031 -2.195 -3.623 209 2HZ LYS 27 2HZ LYS 27 -17.572 -2.896 -5.007 210 3HZ LYS 27 3HZ LYS 27 -17.249 -3.825 -3.691 211 H LEU 28 HN LEU 28 -9.455 -3.030 -0.777 212 HA LEU 28 HA LEU 28 -10.358 -4.909 1.011 213 1HB LEU 28 2HB LEU 28 -7.894 -3.189 1.031 214 2HB LEU 28 3HB LEU 28 -8.186 -4.525 2.132 215 HG LEU 28 HG LEU 28 -6.887 -4.690 -0.330 216 1HD1 LEU 28 1HD1 LEU 28 -6.491 -5.984 1.705 217 2HD1 LEU 28 2HD1 LEU 28 -8.051 -6.814 1.460 218 3HD1 LEU 28 3HD1 LEU 28 -6.713 -7.051 0.301 219 1HD2 LEU 28 1HD2 LEU 28 -9.481 -6.243 -0.445 220 2HD2 LEU 28 2HD2 LEU 28 -9.003 -4.930 -1.555 221 3HD2 LEU 28 3HD2 LEU 28 -8.092 -6.439 -1.532 222 H GLN 29 HN GLN 29 -10.947 -4.890 3.053 223 HA GLN 29 HA GLN 29 -12.247 -2.736 4.261 224 1HB GLN 29 2HB GLN 29 -12.436 -4.138 6.226 225 2HB GLN 29 3HB GLN 29 -12.752 -5.017 4.726 226 1HG GLN 29 2HG GLN 29 -10.160 -5.603 4.899 227 2HG GLN 29 3HG GLN 29 -10.399 -5.204 6.600 228 1HE2 GLN 29 2HE2 GLN 29 -10.870 -7.036 7.831 229 2HE2 GLN 29 1HE2 GLN 29 -11.717 -8.445 7.210 230 H GLY 30 HN GLY 30 -11.382 -0.862 4.928 231 1HA GLY 30 1HA GLY 30 -10.264 0.158 6.842 232 2HA GLY 30 2HA GLY 30 -8.865 -0.900 6.574 233 H VAL 31 HN VAL 31 -9.389 -0.373 3.442 234 HA VAL 31 HA VAL 31 -7.467 1.769 3.460 235 HB VAL 31 HB VAL 31 -8.787 -0.071 1.431 236 1HG1 VAL 31 1HG1 VAL 31 -8.560 1.948 0.218 237 2HG1 VAL 31 2HG1 VAL 31 -6.906 2.226 0.841 238 3HG1 VAL 31 3HG1 VAL 31 -7.242 0.872 -0.274 239 1HG2 VAL 31 1HG2 VAL 31 -6.959 -0.985 2.867 240 2HG2 VAL 31 2HG2 VAL 31 -6.492 -0.908 1.159 241 3HG2 VAL 31 3HG2 VAL 31 -5.883 0.310 2.298 242 H GLN 32 HN GLN 32 -7.847 3.828 3.154 243 HA GLN 32 HA GLN 32 -10.521 4.856 2.425 244 1HB GLN 32 2HB GLN 32 -8.226 5.848 3.880 245 2HB GLN 32 3HB GLN 32 -9.017 7.065 2.859 246 1HG GLN 32 2HG GLN 32 -10.605 5.317 4.771 247 2HG GLN 32 3HG GLN 32 -9.717 6.727 5.356 248 1HE2 GLN 32 2HE2 GLN 32 -11.139 8.425 5.691 249 2HE2 GLN 32 1HE2 GLN 32 -12.400 8.843 4.548 250 H ARG 33 HN ARG 33 -6.988 5.085 1.336 251 HA ARG 33 HA ARG 33 -7.955 4.867 -1.379 252 1HB ARG 33 2HB ARG 33 -7.893 7.468 -0.292 253 2HB ARG 33 3HB ARG 33 -6.369 7.384 -1.153 254 1HG ARG 33 2HG ARG 33 -7.405 7.268 -3.236 255 2HG ARG 33 3HG ARG 33 -8.827 6.405 -2.611 256 1HD ARG 33 2HD ARG 33 -9.618 8.378 -1.463 257 2HD ARG 33 3HD ARG 33 -8.268 9.348 -2.111 258 HE ARG 33 HE ARG 33 -9.395 8.258 -4.360 259 1HH1 ARG 33 1HH2 ARG 33 -10.716 10.137 -1.679 260 2HH1 ARG 33 2HH2 ARG 33 -12.059 10.776 -2.569 261 1HH2 ARG 33 1HH1 ARG 33 -11.168 9.101 -5.587 262 2HH2 ARG 33 2HH1 ARG 33 -12.302 10.186 -4.855 263 H ILE 34 HN ILE 34 -6.055 5.204 -2.973 264 HA ILE 34 HA ILE 34 -3.481 4.396 -1.828 265 HB ILE 34 HB ILE 34 -4.651 2.297 -2.195 266 1HG1 ILE 34 2HG1 ILE 34 -2.709 2.544 -4.485 267 2HG1 ILE 34 3HG1 ILE 34 -2.137 2.775 -2.836 268 1HG2 ILE 34 1HG2 ILE 34 -4.991 3.178 -5.109 269 2HG2 ILE 34 2HG2 ILE 34 -5.361 1.576 -4.494 270 3HG2 ILE 34 3HG2 ILE 34 -6.294 2.954 -3.931 271 1HD1 ILE 34 1HD1 ILE 34 -3.589 0.260 -3.724 272 2HD1 ILE 34 2HD1 ILE 34 -1.829 0.438 -3.597 273 3HD1 ILE 34 3HD1 ILE 34 -2.852 0.577 -2.156 274 H LYS 35 HN LYS 35 -1.737 5.072 -3.008 275 HA LYS 35 HA LYS 35 -2.119 6.030 -5.795 276 1HB LYS 35 2HB LYS 35 -0.595 7.511 -3.587 277 2HB LYS 35 3HB LYS 35 -0.523 7.844 -5.313 278 1HG LYS 35 2HG LYS 35 -1.947 9.451 -4.662 279 2HG LYS 35 3HG LYS 35 -3.099 8.210 -5.164 280 1HD LYS 35 2HD LYS 35 -3.591 7.621 -2.875 281 2HD LYS 35 3HD LYS 35 -2.212 8.506 -2.240 282 1HE LYS 35 2HE LYS 35 -4.580 9.798 -3.691 283 2HE LYS 35 3HE LYS 35 -4.519 9.565 -1.938 284 1HZ LYS 35 1HZ LYS 35 -2.587 11.169 -3.476 285 2HZ LYS 35 2HZ LYS 35 -3.807 11.758 -2.548 286 3HZ LYS 35 3HZ LYS 35 -2.570 10.937 -1.847 287 H VAL 36 HN VAL 36 -0.961 4.380 -6.785 288 HA VAL 36 HA VAL 36 1.697 3.610 -5.661 289 HB VAL 36 HB VAL 36 -0.082 2.342 -7.763 290 1HG1 VAL 36 1HG1 VAL 36 1.569 0.495 -7.763 291 2HG1 VAL 36 2HG1 VAL 36 2.234 1.984 -8.455 292 3HG1 VAL 36 3HG1 VAL 36 2.684 1.508 -6.802 293 1HG2 VAL 36 1HG2 VAL 36 0.942 1.262 -5.096 294 2HG2 VAL 36 2HG2 VAL 36 -0.627 2.051 -5.263 295 3HG2 VAL 36 3HG2 VAL 36 -0.295 0.546 -6.142 296 H SER 37 HN SER 37 3.531 4.413 -6.506 297 HA SER 37 HA SER 37 3.449 5.788 -9.160 298 1HB SER 37 2HB SER 37 3.698 7.324 -7.252 299 2HB SER 37 3HB SER 37 5.154 6.436 -6.751 300 HG SER 37 HG SER 37 5.437 8.356 -8.182 301 H LEU 38 HN LEU 38 3.845 3.702 -10.090 302 HA LEU 38 HA LEU 38 5.979 1.968 -9.532 303 1HB LEU 38 2HB LEU 38 3.996 1.719 -11.042 304 2HB LEU 38 3HB LEU 38 4.905 2.563 -12.301 305 HG LEU 38 HG LEU 38 6.077 0.176 -10.791 306 1HD1 LEU 38 1HD1 LEU 38 4.033 -0.717 -11.375 307 2HD1 LEU 38 2HD1 LEU 38 4.019 0.088 -12.954 308 3HD1 LEU 38 3HD1 LEU 38 5.146 -1.249 -12.657 309 1HD2 LEU 38 1HD2 LEU 38 6.488 1.305 -13.589 310 2HD2 LEU 38 2HD2 LEU 38 7.620 1.368 -12.221 311 3HD2 LEU 38 3HD2 LEU 38 7.236 -0.184 -12.959 312 H ASP 39 HN ASP 39 5.942 4.922 -11.662 313 HA ASP 39 HA ASP 39 8.498 5.166 -12.506 314 1HB ASP 39 2HB ASP 39 6.984 7.314 -10.950 315 2HB ASP 39 3HB ASP 39 8.242 7.561 -12.143 316 H ASN 40 HN ASN 40 7.313 6.031 -9.223 317 HA ASN 40 HA ASN 40 9.958 6.753 -8.457 318 1HB ASN 40 2HB ASN 40 7.757 7.818 -7.659 319 2HB ASN 40 3HB ASN 40 7.696 6.506 -6.471 320 1HD2 ASN 40 2HD2 ASN 40 8.855 7.063 -4.390 321 2HD2 ASN 40 1HD2 ASN 40 10.073 8.283 -4.424 322 H GLN 41 HN GLN 41 8.398 3.817 -8.718 323 HA GLN 41 HA GLN 41 8.500 1.738 -7.981 324 1HB GLN 41 2HB GLN 41 11.149 2.368 -6.621 325 2HB GLN 41 3HB GLN 41 10.566 0.822 -7.285 326 1HG GLN 41 2HG GLN 41 10.334 2.087 -9.506 327 2HG GLN 41 3HG GLN 41 11.286 3.361 -8.750 328 1HE2 GLN 41 2HE2 GLN 41 11.402 0.094 -10.095 329 2HE2 GLN 41 1HE2 GLN 41 13.140 -0.102 -9.950 330 H GLU 42 HN GLU 42 7.344 3.821 -6.476 331 HA GLU 42 HA GLU 42 7.222 2.638 -3.721 332 1HB GLU 42 2HB GLU 42 8.838 4.734 -4.142 333 2HB GLU 42 3HB GLU 42 7.305 5.619 -4.079 334 1HG GLU 42 2HG GLU 42 6.905 4.625 -1.799 335 2HG GLU 42 3HG GLU 42 8.471 3.801 -1.904 336 H ALA 43 HN ALA 43 5.346 3.355 -2.453 337 HA ALA 43 HA ALA 43 3.096 4.518 -3.999 338 1HB ALA 43 1HB ALA 43 1.659 2.638 -3.415 339 2HB ALA 43 2HB ALA 43 3.009 2.136 -4.476 340 3HB ALA 43 3HB ALA 43 3.071 1.796 -2.738 341 H THR 44 HN THR 44 1.311 5.109 -2.565 342 HA THR 44 HA THR 44 1.958 5.267 0.294 343 HB THR 44 HB THR 44 0.965 7.398 -1.644 344 HG1 THR 44 1HG THR 44 2.892 8.400 -1.076 345 1HG2 THR 44 1HG2 THR 44 1.324 7.441 1.367 346 2HG2 THR 44 2HG2 THR 44 0.993 8.880 0.364 347 3HG2 THR 44 3HG2 THR 44 -0.212 7.579 0.474 348 H ILE 45 HN ILE 45 0.247 4.219 1.354 349 HA ILE 45 HA ILE 45 -2.420 4.215 0.025 350 HB ILE 45 HB ILE 45 -1.581 2.386 2.219 351 1HG1 ILE 45 2HG1 ILE 45 -1.656 1.829 -0.761 352 2HG1 ILE 45 3HG1 ILE 45 -0.150 2.065 0.118 353 1HG2 ILE 45 1HG2 ILE 45 -4.076 2.760 1.835 354 2HG2 ILE 45 2HG2 ILE 45 -3.842 2.265 0.153 355 3HG2 ILE 45 3HG2 ILE 45 -3.603 1.129 1.481 356 1HD1 ILE 45 1HD1 ILE 45 -2.147 -0.114 0.648 357 2HD1 ILE 45 2HD1 ILE 45 -0.524 -0.277 0.012 358 3HD1 ILE 45 3HD1 ILE 45 -0.742 0.302 1.680 359 H VAL 46 HN VAL 46 -4.236 4.748 1.500 360 HA VAL 46 HA VAL 46 -3.479 5.976 4.066 361 HB VAL 46 HB VAL 46 -3.911 7.708 2.465 362 1HG1 VAL 46 1HG1 VAL 46 -5.565 6.689 1.193 363 2HG1 VAL 46 2HG1 VAL 46 -6.692 6.740 2.579 364 3HG1 VAL 46 3HG1 VAL 46 -6.145 8.255 1.820 365 1HG2 VAL 46 1HG2 VAL 46 -5.362 9.005 4.015 366 2HG2 VAL 46 2HG2 VAL 46 -5.808 7.495 4.847 367 3HG2 VAL 46 3HG2 VAL 46 -4.135 8.095 4.908 368 H TYR 47 HN TYR 47 -4.352 4.907 5.712 369 HA TYR 47 HA TYR 47 -6.904 3.571 5.674 370 1HB TYR 47 2HB TYR 47 -6.030 1.304 6.140 371 2HB TYR 47 3HB TYR 47 -5.626 1.846 4.524 372 HD1 TYR 47 1HD TYR 47 -3.520 1.590 3.715 373 HD2 TYR 47 2HD TYR 47 -4.100 1.516 7.977 374 HE1 TYR 47 1HE TYR 47 -1.296 0.586 4.005 375 HE2 TYR 47 2HE TYR 47 -1.779 0.777 8.275 376 HH TYR 47 HH TYR 47 -0.116 -0.764 6.727 377 H GLN 48 HN GLN 48 -6.890 2.212 8.057 378 HA GLN 48 HA GLN 48 -5.025 3.576 9.871 379 1HB GLN 48 2HB GLN 48 -7.081 3.506 11.438 380 2HB GLN 48 3HB GLN 48 -6.857 4.895 10.338 381 1HG GLN 48 2HG GLN 48 -8.415 3.940 8.792 382 2HG GLN 48 3HG GLN 48 -8.525 2.447 9.749 383 1HE2 GLN 48 2HE2 GLN 48 -10.862 3.904 9.025 384 2HE2 GLN 48 1HE2 GLN 48 -11.547 4.572 10.496 385 HA PRO 49 HA PRO 49 -4.530 -0.492 11.585 386 1HB PRO 49 2HB PRO 49 -3.539 0.089 14.065 387 2HB PRO 49 3HB PRO 49 -2.614 0.371 12.582 388 1HG PRO 49 2HG PRO 49 -4.271 2.388 14.111 389 2HG PRO 49 3HG PRO 49 -2.582 2.561 13.545 390 1HD PRO 49 2HD PRO 49 -4.666 3.569 12.137 391 2HD PRO 49 3HD PRO 49 -3.274 2.824 11.296 392 H HIS 50 HN HIS 50 -6.962 -0.439 11.382 393 HA HIS 50 HA HIS 50 -8.108 -1.241 13.997 394 1HB HIS 50 2HB HIS 50 -9.095 1.052 12.328 395 2HB HIS 50 3HB HIS 50 -10.318 -0.118 12.819 396 HD1 HIS 50 1HD HIS 50 -7.409 1.098 15.061 397 HD2 HIS 50 2HD HIS 50 -11.604 0.994 14.747 398 HE1 HIS 50 1HE HIS 50 -8.337 2.003 17.269 399 H LEU 51 HN LEU 51 -8.963 -0.865 10.502 400 HA LEU 51 HA LEU 51 -10.234 -3.520 10.560 401 1HB LEU 51 2HB LEU 51 -9.966 -1.297 8.556 402 2HB LEU 51 3HB LEU 51 -10.623 -2.870 8.084 403 HG LEU 51 HG LEU 51 -11.766 -1.292 10.413 404 1HD1 LEU 51 1HD1 LEU 51 -11.904 0.167 8.482 405 2HD1 LEU 51 2HD1 LEU 51 -12.575 -1.148 7.483 406 3HD1 LEU 51 3HD1 LEU 51 -13.511 -0.480 8.837 407 1HD2 LEU 51 1HD2 LEU 51 -13.796 -2.640 9.907 408 2HD2 LEU 51 2HD2 LEU 51 -12.925 -3.465 8.600 409 3HD2 LEU 51 3HD2 LEU 51 -12.425 -3.688 10.288 410 H ILE 52 HN ILE 52 -7.051 -2.158 9.785 411 HA ILE 52 HA ILE 52 -6.336 -4.730 8.568 412 HB ILE 52 HB ILE 52 -6.524 -2.860 6.966 413 1HG1 ILE 52 2HG1 ILE 52 -4.307 -3.269 5.962 414 2HG1 ILE 52 3HG1 ILE 52 -3.717 -4.055 7.400 415 1HG2 ILE 52 1HG2 ILE 52 -5.813 -1.084 8.422 416 2HG2 ILE 52 2HG2 ILE 52 -4.163 -1.744 8.481 417 3HG2 ILE 52 3HG2 ILE 52 -4.830 -1.138 6.945 418 1HD1 ILE 52 1HD1 ILE 52 -6.290 -4.976 6.080 419 2HD1 ILE 52 2HD1 ILE 52 -4.721 -5.494 5.424 420 3HD1 ILE 52 3HD1 ILE 52 -5.173 -5.925 7.089 421 H SER 53 HN SER 53 -4.273 -5.518 9.095 422 HA SER 53 HA SER 53 -3.510 -4.948 11.783 423 1HB SER 53 2HB SER 53 -2.213 -6.767 9.829 424 2HB SER 53 3HB SER 53 -2.191 -6.876 11.591 425 HG SER 53 HG SER 53 -4.076 -7.913 9.878 426 H VAL 54 HN VAL 54 -2.917 -2.961 9.651 427 HA VAL 54 HA VAL 54 -1.501 -1.420 8.979 428 HB VAL 54 HB VAL 54 -0.638 -1.913 11.641 429 1HG1 VAL 54 1HG1 VAL 54 1.694 -1.391 9.760 430 2HG1 VAL 54 2HG1 VAL 54 1.710 -1.089 11.507 431 3HG1 VAL 54 3HG1 VAL 54 1.535 -2.740 10.915 432 1HG2 VAL 54 1HG2 VAL 54 -0.074 0.438 9.814 433 2HG2 VAL 54 2HG2 VAL 54 -1.613 0.155 10.636 434 3HG2 VAL 54 3HG2 VAL 54 -0.143 0.454 11.585 435 H GLU 55 HN GLU 55 0.409 -4.260 9.775 436 HA GLU 55 HA GLU 55 2.190 -3.896 7.530 437 1HB GLU 55 2HB GLU 55 2.370 -5.284 9.883 438 2HB GLU 55 3HB GLU 55 1.990 -6.578 8.737 439 1HG GLU 55 2HG GLU 55 3.866 -5.712 7.270 440 2HG GLU 55 3HG GLU 55 4.254 -4.538 8.543 441 H GLU 56 HN GLU 56 -0.715 -5.863 8.164 442 HA GLU 56 HA GLU 56 -0.570 -7.701 6.130 443 1HB GLU 56 2HB GLU 56 -2.842 -6.366 7.571 444 2HB GLU 56 3HB GLU 56 -3.208 -7.033 5.980 445 1HG GLU 56 2HG GLU 56 -2.120 -9.203 6.681 446 2HG GLU 56 3HG GLU 56 -2.204 -8.583 8.347 447 H MET 57 HN MET 57 -1.963 -4.374 5.787 448 HA MET 57 HA MET 57 -2.828 -4.492 3.264 449 1HB MET 57 2HB MET 57 -2.127 -2.477 5.160 450 2HB MET 57 3HB MET 57 -1.374 -1.990 3.635 451 1HG MET 57 2HG MET 57 -4.318 -2.738 3.988 452 2HG MET 57 3HG MET 57 -3.633 -1.140 3.959 453 1HE MET 57 1HE MET 57 -5.783 -3.345 2.310 454 2HE MET 57 2HE MET 57 -5.277 -3.588 0.636 455 3HE MET 57 3HE MET 57 -4.455 -4.461 1.914 456 H LYS 58 HN LYS 58 0.576 -4.030 4.212 457 HA LYS 58 HA LYS 58 1.483 -3.888 1.434 458 1HB LYS 58 2HB LYS 58 2.675 -2.747 3.350 459 2HB LYS 58 3HB LYS 58 2.947 -4.319 4.099 460 1HG LYS 58 2HG LYS 58 4.967 -3.702 3.090 461 2HG LYS 58 3HG LYS 58 4.335 -5.009 2.122 462 1HD LYS 58 2HD LYS 58 3.630 -2.200 1.325 463 2HD LYS 58 3HD LYS 58 5.315 -2.703 1.113 464 1HE LYS 58 2HE LYS 58 4.682 -4.623 -0.213 465 2HE LYS 58 3HE LYS 58 2.985 -4.211 -0.060 466 1HZ LYS 58 1HZ LYS 58 4.954 -2.445 -1.340 467 2HZ LYS 58 2HZ LYS 58 3.901 -3.443 -2.132 468 3HZ LYS 58 3HZ LYS 58 3.331 -2.202 -1.217 469 H LYS 59 HN LYS 59 1.548 -6.353 4.073 470 HA LYS 59 HA LYS 59 3.018 -8.212 2.502 471 1HB LYS 59 2HB LYS 59 1.129 -8.767 4.828 472 2HB LYS 59 3HB LYS 59 2.322 -9.881 4.156 473 1HG LYS 59 2HG LYS 59 2.863 -7.318 5.706 474 2HG LYS 59 3HG LYS 59 3.347 -8.968 6.091 475 1HD LYS 59 2HD LYS 59 4.705 -8.916 3.900 476 2HD LYS 59 3HD LYS 59 4.399 -7.158 3.875 477 1HE LYS 59 2HE LYS 59 5.570 -6.888 5.996 478 2HE LYS 59 3HE LYS 59 5.846 -8.641 6.103 479 1HZ LYS 59 1HZ LYS 59 6.823 -6.833 3.975 480 2HZ LYS 59 2HZ LYS 59 7.780 -7.565 5.136 481 3HZ LYS 59 3HZ LYS 59 7.000 -8.389 3.900 482 H GLN 60 HN GLN 60 -0.385 -7.470 2.352 483 HA GLN 60 HA GLN 60 -1.279 -9.785 0.921 484 1HB GLN 60 2HB GLN 60 -2.103 -6.879 0.843 485 2HB GLN 60 3HB GLN 60 -3.024 -8.173 0.112 486 1HG GLN 60 2HG GLN 60 -2.307 -8.516 3.013 487 2HG GLN 60 3HG GLN 60 -3.352 -7.145 2.620 488 1HE2 GLN 60 2HE2 GLN 60 -4.428 -9.182 4.414 489 2HE2 GLN 60 1HE2 GLN 60 -5.523 -10.115 3.448 490 H ILE 61 HN ILE 61 -0.059 -6.630 -0.040 491 HA ILE 61 HA ILE 61 0.162 -7.187 -2.862 492 HB ILE 61 HB ILE 61 1.495 -5.134 -1.196 493 1HG1 ILE 61 2HG1 ILE 61 0.217 -3.785 -3.174 494 2HG1 ILE 61 3HG1 ILE 61 -0.806 -5.213 -3.152 495 1HG2 ILE 61 1HG2 ILE 61 2.361 -4.166 -3.380 496 2HG2 ILE 61 2HG2 ILE 61 3.166 -5.670 -2.943 497 3HG2 ILE 61 3HG2 ILE 61 1.890 -5.672 -4.180 498 1HD1 ILE 61 1HD1 ILE 61 -0.050 -3.576 -0.689 499 2HD1 ILE 61 2HD1 ILE 61 -1.508 -3.297 -1.647 500 3HD1 ILE 61 3HD1 ILE 61 -1.298 -4.855 -0.816 501 H GLU 62 HN GLU 62 2.602 -7.621 -0.245 502 HA GLU 62 HA GLU 62 4.766 -8.402 -1.963 503 1HB GLU 62 2HB GLU 62 4.199 -9.370 0.864 504 2HB GLU 62 3HB GLU 62 5.711 -9.513 -0.034 505 1HG GLU 62 2HG GLU 62 5.785 -7.002 -0.244 506 2HG GLU 62 3HG GLU 62 4.359 -6.909 0.779 507 H ALA 63 HN ALA 63 2.207 -10.259 -0.315 508 HA ALA 63 HA ALA 63 2.807 -12.829 -1.244 509 1HB ALA 63 1HB ALA 63 0.154 -11.612 -0.409 510 2HB ALA 63 2HB ALA 63 0.511 -13.353 -0.502 511 3HB ALA 63 3HB ALA 63 1.370 -12.319 0.666 512 H MET 64 HN MET 64 1.312 -10.198 -3.117 513 HA MET 64 HA MET 64 0.000 -11.905 -5.056 514 1HB MET 64 2HB MET 64 1.298 -9.176 -5.434 515 2HB MET 64 3HB MET 64 0.252 -10.005 -6.575 516 1HG MET 64 2HG MET 64 -0.633 -9.037 -3.836 517 2HG MET 64 3HG MET 64 -0.906 -8.244 -5.381 518 1HE MET 64 1HE MET 64 -1.606 -11.714 -3.502 519 2HE MET 64 2HE MET 64 -2.464 -10.368 -2.723 520 3HE MET 64 3HE MET 64 -3.375 -11.624 -3.585 521 H GLY 65 HN GLY 65 3.356 -11.042 -4.391 522 1HA GLY 65 1HA GLY 65 4.684 -13.089 -5.227 523 2HA GLY 65 2HA GLY 65 4.262 -12.517 -6.848 524 H PHE 66 HN PHE 66 4.392 -9.674 -6.071 525 HA PHE 66 HA PHE 66 7.178 -9.303 -6.795 526 1HB PHE 66 2HB PHE 66 4.870 -7.420 -6.280 527 2HB PHE 66 3HB PHE 66 6.487 -6.870 -6.675 528 HD1 PHE 66 1HD PHE 66 3.418 -8.336 -8.064 529 HD2 PHE 66 2HD PHE 66 7.600 -7.628 -8.809 530 HE1 PHE 66 1HE PHE 66 3.049 -8.687 -10.480 531 HE2 PHE 66 2HE PHE 66 7.246 -8.007 -11.211 532 HZ PHE 66 HZ PHE 66 4.958 -8.506 -12.080 533 HA PRO 67 HA PRO 67 8.000 -9.099 -2.283 534 1HB PRO 67 2HB PRO 67 10.727 -8.854 -2.313 535 2HB PRO 67 3HB PRO 67 9.875 -10.401 -2.602 536 1HG PRO 67 2HG PRO 67 10.957 -8.471 -4.671 537 2HG PRO 67 3HG PRO 67 11.178 -10.244 -4.604 538 1HD PRO 67 2HD PRO 67 9.285 -9.081 -6.164 539 2HD PRO 67 3HD PRO 67 8.966 -10.631 -5.330 540 H ALA 68 HN ALA 68 7.422 -7.223 -1.353 541 HA ALA 68 HA ALA 68 8.733 -4.653 -2.156 542 1HB ALA 68 1HB ALA 68 6.659 -4.761 -3.304 543 2HB ALA 68 2HB ALA 68 5.802 -5.396 -1.903 544 3HB ALA 68 3HB ALA 68 6.402 -3.718 -1.902 545 H PHE 69 HN PHE 69 7.527 -2.979 -0.208 546 HA PHE 69 HA PHE 69 8.038 -4.217 2.384 547 1HB PHE 69 2HB PHE 69 10.263 -3.241 0.820 548 2HB PHE 69 3HB PHE 69 10.016 -2.102 2.119 549 HD1 PHE 69 1HD PHE 69 11.201 -5.423 1.224 550 HD2 PHE 69 2HD PHE 69 10.041 -2.916 4.544 551 HE1 PHE 69 1HE PHE 69 12.501 -6.857 2.764 552 HE2 PHE 69 2HE PHE 69 11.291 -4.396 6.087 553 HZ PHE 69 HZ PHE 69 12.550 -6.350 5.199 554 H VAL 70 HN VAL 70 7.382 -3.100 4.090 555 HA VAL 70 HA VAL 70 5.962 -0.568 3.641 556 HB VAL 70 HB VAL 70 4.502 -1.836 4.717 557 1HG1 VAL 70 1HG1 VAL 70 5.822 -3.771 5.140 558 2HG1 VAL 70 2HG1 VAL 70 6.779 -2.914 6.372 559 3HG1 VAL 70 3HG1 VAL 70 5.056 -3.293 6.661 560 1HG2 VAL 70 1HG2 VAL 70 5.910 -0.653 7.140 561 2HG2 VAL 70 2HG2 VAL 70 4.961 0.318 5.999 562 3HG2 VAL 70 3HG2 VAL 70 4.184 -0.982 6.921 563 H LYS 71 HN LYS 71 6.762 1.358 4.420 564 HA LYS 71 HA LYS 71 9.335 1.305 5.942 565 1HB LYS 71 2HB LYS 71 7.967 3.617 4.540 566 2HB LYS 71 3HB LYS 71 9.464 3.678 5.459 567 1HG LYS 71 2HG LYS 71 10.153 1.642 3.796 568 2HG LYS 71 3HG LYS 71 8.846 2.325 2.835 569 1HD LYS 71 2HD LYS 71 10.616 3.510 1.979 570 2HD LYS 71 3HD LYS 71 10.101 4.629 3.232 571 1HE LYS 71 2HE LYS 71 12.411 2.605 3.341 572 2HE LYS 71 3HE LYS 71 12.563 4.361 3.202 573 1HZ LYS 71 1HZ LYS 71 11.486 2.915 5.531 574 2HZ LYS 71 2HZ LYS 71 12.968 3.614 5.431 575 3HZ LYS 71 3HZ LYS 71 11.617 4.551 5.407 576 H LYS 72 HN LYS 72 6.360 3.401 6.174 577 HA LYS 72 HA LYS 72 6.354 3.013 9.062 578 1HB LYS 72 2HB LYS 72 7.991 5.039 8.251 579 2HB LYS 72 3HB LYS 72 6.445 5.899 8.254 580 1HG LYS 72 2HG LYS 72 6.136 4.980 10.655 581 2HG LYS 72 3HG LYS 72 7.815 4.422 10.553 582 1HD LYS 72 2HD LYS 72 8.514 6.817 10.158 583 2HD LYS 72 3HD LYS 72 6.805 7.284 10.268 584 1HE LYS 72 2HE LYS 72 6.844 6.092 12.603 585 2HE LYS 72 3HE LYS 72 8.606 6.190 12.480 586 1HZ LYS 72 1HZ LYS 72 6.689 8.431 12.356 587 2HZ LYS 72 2HZ LYS 72 7.553 8.039 13.668 588 3HZ LYS 72 3HZ LYS 72 8.317 8.621 12.314 589 H ILE 73 HN ILE 73 4.447 4.085 10.023 590 HA ILE 73 HA ILE 73 2.137 4.028 8.207 591 HB ILE 73 HB ILE 73 1.342 2.296 10.135 592 1HG1 ILE 73 2HG1 ILE 73 3.024 0.547 9.984 593 2HG1 ILE 73 3HG1 ILE 73 4.242 1.659 9.432 594 1HG2 ILE 73 1HG2 ILE 73 0.847 2.200 7.833 595 2HG2 ILE 73 2HG2 ILE 73 2.562 1.917 7.421 596 3HG2 ILE 73 3HG2 ILE 73 1.625 0.664 8.259 597 1HD1 ILE 73 1HD1 ILE 73 2.759 1.739 12.122 598 2HD1 ILE 73 2HD1 ILE 73 4.436 1.211 11.883 599 3HD1 ILE 73 3HD1 ILE 73 4.001 2.911 11.641 600 H GLU 74 HN GLU 74 1.681 6.317 8.864 601 HA GLU 74 HA GLU 74 0.222 6.428 11.286 602 1HB GLU 74 2HB GLU 74 1.790 8.159 12.478 603 2HB GLU 74 3HB GLU 74 2.508 6.561 12.343 604 1HG GLU 74 2HG GLU 74 3.692 7.354 10.216 605 2HG GLU 74 3HG GLU 74 3.071 8.972 10.560 606 H GLY 75 HN GLY 75 -0.131 8.961 11.875 607 1HA GLY 75 1HA GLY 75 -1.532 9.977 9.521 608 2HA GLY 75 2HA GLY 75 -1.525 10.640 11.162 609 H ARG 76 HN ARG 76 -1.285 12.747 10.288 610 HA ARG 76 HA ARG 76 1.321 13.426 9.032 611 1HB ARG 76 2HB ARG 76 -1.121 14.244 8.186 612 2HB ARG 76 3HB ARG 76 -0.861 15.435 9.476 613 1HG ARG 76 2HG ARG 76 1.448 15.848 8.414 614 2HG ARG 76 3HG ARG 76 0.899 14.836 7.060 615 1HD ARG 76 2HD ARG 76 -1.038 16.415 6.744 616 2HD ARG 76 3HD ARG 76 -0.378 17.400 8.078 617 HE ARG 76 HE ARG 76 1.559 16.865 5.980 618 1HH1 ARG 76 1HH2 ARG 76 -1.118 18.977 6.844 619 2HH1 ARG 76 2HH2 ARG 76 -0.557 20.352 5.945 620 1HH2 ARG 76 1HH1 ARG 76 2.340 18.648 4.741 621 2HH2 ARG 76 2HH1 ARG 76 1.461 20.140 4.691 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -11.028 8.564 7.303 2 2H GLY 1 2H GLY 1 -11.740 9.971 6.776 3 3H GLY 1 3H GLY 1 -10.358 9.377 6.087 4 1HA GLY 1 1HA GLY 1 -9.562 11.081 7.499 5 2HA GLY 1 2HA GLY 1 -10.688 10.544 8.762 6 H GLU 2 HN GLU 2 -8.128 9.022 6.703 7 HA GLU 2 HA GLU 2 -7.304 7.376 9.035 8 1HB GLU 2 2HB GLU 2 -7.898 6.719 6.123 9 2HB GLU 2 3HB GLU 2 -6.679 5.833 7.003 10 1HG GLU 2 2HG GLU 2 -8.490 4.494 7.391 11 2HG GLU 2 3HG GLU 2 -8.593 5.498 8.830 12 H VAL 3 HN VAL 3 -4.926 6.366 8.390 13 HA VAL 3 HA VAL 3 -3.358 8.833 8.213 14 HB VAL 3 HB VAL 3 -3.093 7.799 10.345 15 1HG1 VAL 3 1HG1 VAL 3 -2.004 5.572 10.449 16 2HG1 VAL 3 2HG1 VAL 3 -3.712 5.668 9.984 17 3HG1 VAL 3 3HG1 VAL 3 -2.488 5.396 8.743 18 1HG2 VAL 3 1HG2 VAL 3 -1.206 8.949 8.938 19 2HG2 VAL 3 2HG2 VAL 3 -0.784 8.075 10.377 20 3HG2 VAL 3 3HG2 VAL 3 -0.550 7.306 8.795 21 H VAL 4 HN VAL 4 -1.656 8.979 6.823 22 HA VAL 4 HA VAL 4 -1.740 7.360 4.458 23 HB VAL 4 HB VAL 4 -0.135 9.800 5.307 24 1HG1 VAL 4 1HG1 VAL 4 1.157 8.591 3.683 25 2HG1 VAL 4 2HG1 VAL 4 -0.295 8.303 2.686 26 3HG1 VAL 4 3HG1 VAL 4 0.377 9.950 2.855 27 1HG2 VAL 4 1HG2 VAL 4 -2.501 9.429 3.403 28 2HG2 VAL 4 2HG2 VAL 4 -2.572 10.219 4.993 29 3HG2 VAL 4 3HG2 VAL 4 -1.633 10.950 3.685 30 H LEU 5 HN LEU 5 -0.228 5.864 3.835 31 HA LEU 5 HA LEU 5 2.200 5.375 5.489 32 1HB LEU 5 2HB LEU 5 0.674 3.648 6.074 33 2HB LEU 5 3HB LEU 5 0.067 3.490 4.449 34 HG LEU 5 HG LEU 5 1.499 1.649 5.397 35 1HD1 LEU 5 1HD1 LEU 5 2.146 0.897 3.339 36 2HD1 LEU 5 2HD1 LEU 5 0.896 2.076 2.958 37 3HD1 LEU 5 3HD1 LEU 5 2.597 2.497 2.732 38 1HD2 LEU 5 1HD2 LEU 5 3.564 1.898 6.104 39 2HD2 LEU 5 2HD2 LEU 5 4.080 2.541 4.543 40 3HD2 LEU 5 3HD2 LEU 5 3.476 3.626 5.797 41 H LYS 6 HN LYS 6 4.015 5.007 4.265 42 HA LYS 6 HA LYS 6 3.766 5.187 1.314 43 1HB LYS 6 2HB LYS 6 4.793 7.055 2.570 44 2HB LYS 6 3HB LYS 6 6.171 6.014 2.944 45 1HG LYS 6 2HG LYS 6 6.899 5.945 0.723 46 2HG LYS 6 3HG LYS 6 5.285 6.068 0.062 47 1HD LYS 6 2HD LYS 6 5.645 8.151 -0.442 48 2HD LYS 6 3HD LYS 6 5.514 8.542 1.264 49 1HE LYS 6 2HE LYS 6 8.141 7.905 1.264 50 2HE LYS 6 3HE LYS 6 7.974 8.184 -0.470 51 1HZ LYS 6 1HZ LYS 6 7.409 10.155 1.621 52 2HZ LYS 6 2HZ LYS 6 8.682 10.138 0.577 53 3HZ LYS 6 3HZ LYS 6 7.164 10.384 0.006 54 H MET 7 HN MET 7 4.206 3.235 0.336 55 HA MET 7 HA MET 7 6.021 1.274 1.689 56 1HB MET 7 2HB MET 7 4.817 -0.513 0.506 57 2HB MET 7 3HB MET 7 3.718 0.417 1.532 58 1HG MET 7 2HG MET 7 2.895 1.602 -0.394 59 2HG MET 7 3HG MET 7 4.108 0.880 -1.452 60 1HE MET 7 1HE MET 7 2.460 -1.855 0.831 61 2HE MET 7 2HE MET 7 1.557 -0.360 1.114 62 3HE MET 7 3HE MET 7 0.773 -1.711 0.274 63 H LYS 8 HN LYS 8 7.426 0.123 0.333 64 HA LYS 8 HA LYS 8 8.071 1.320 -2.314 65 1HB LYS 8 2HB LYS 8 9.648 -0.067 -0.208 66 2HB LYS 8 3HB LYS 8 9.963 -0.653 -1.841 67 1HG LYS 8 2HG LYS 8 9.970 2.302 -1.116 68 2HG LYS 8 3HG LYS 8 11.415 1.298 -1.000 69 1HD LYS 8 2HD LYS 8 9.951 1.080 -3.589 70 2HD LYS 8 3HD LYS 8 10.660 2.671 -3.283 71 1HE LYS 8 2HE LYS 8 12.890 1.658 -3.016 72 2HE LYS 8 3HE LYS 8 12.184 0.035 -3.053 73 1HZ LYS 8 1HZ LYS 8 12.491 1.854 -5.351 74 2HZ LYS 8 2HZ LYS 8 12.995 0.295 -5.120 75 3HZ LYS 8 3HZ LYS 8 11.445 0.578 -5.352 76 H VAL 9 HN VAL 9 7.559 0.188 -4.119 77 HA VAL 9 HA VAL 9 6.417 -2.565 -3.822 78 HB VAL 9 HB VAL 9 5.550 -0.425 -5.815 79 1HG1 VAL 9 1HG1 VAL 9 4.351 -3.119 -5.009 80 2HG1 VAL 9 2HG1 VAL 9 3.679 -1.991 -6.203 81 3HG1 VAL 9 3HG1 VAL 9 5.218 -2.803 -6.524 82 1HG2 VAL 9 1HG2 VAL 9 3.431 -0.411 -4.414 83 2HG2 VAL 9 2HG2 VAL 9 4.345 -1.270 -3.158 84 3HG2 VAL 9 3HG2 VAL 9 4.830 0.367 -3.663 85 H GLU 10 HN GLU 10 8.660 -3.250 -4.080 86 HA GLU 10 HA GLU 10 10.097 -2.437 -6.483 87 1HB GLU 10 2HB GLU 10 10.664 -4.660 -4.490 88 2HB GLU 10 3HB GLU 10 11.728 -4.182 -5.797 89 1HG GLU 10 2HG GLU 10 10.986 -1.804 -4.285 90 2HG GLU 10 3HG GLU 10 11.563 -3.060 -3.181 91 H GLY 11 HN GLY 11 10.979 -4.097 -8.010 92 1HA GLY 11 1HA GLY 11 10.731 -5.733 -9.597 93 2HA GLY 11 2HA GLY 11 9.434 -6.466 -8.646 94 H MET 12 HN MET 12 7.350 -5.262 -8.665 95 HA MET 12 HA MET 12 5.500 -4.799 -9.901 96 1HB MET 12 2HB MET 12 6.661 -2.777 -8.896 97 2HB MET 12 3HB MET 12 7.109 -2.286 -10.529 98 1HG MET 12 2HG MET 12 4.814 -1.877 -11.070 99 2HG MET 12 3HG MET 12 4.231 -2.908 -9.752 100 1HE MET 12 1HE MET 12 6.387 0.335 -10.286 101 2HE MET 12 2HE MET 12 6.169 1.100 -8.690 102 3HE MET 12 3HE MET 12 7.093 -0.408 -8.835 103 H THR 13 HN THR 13 6.322 -2.731 -12.454 104 HA THR 13 HA THR 13 7.379 -4.541 -14.311 105 HB THR 13 HB THR 13 5.100 -5.589 -14.233 106 HG1 THR 13 1HG THR 13 4.989 -5.726 -16.443 107 1HG2 THR 13 1HG2 THR 13 4.199 -3.041 -15.640 108 2HG2 THR 13 2HG2 THR 13 3.213 -4.447 -15.181 109 3HG2 THR 13 3HG2 THR 13 3.915 -3.399 -13.928 110 H CYS 14 HN CYS 14 6.586 -3.503 -16.637 111 HA CYS 14 HA CYS 14 8.275 -1.337 -16.916 112 1HB CYS 14 2HB CYS 14 5.984 -2.207 -18.702 113 2HB CYS 14 3HB CYS 14 7.194 -1.000 -19.181 114 HG CYS 14 HG CYS 14 7.692 -3.277 -20.326 115 H HIS 15 HN HIS 15 4.762 -0.871 -17.470 116 HA HIS 15 HA HIS 15 4.951 1.633 -15.950 117 1HB HIS 15 2HB HIS 15 4.202 3.087 -17.551 118 2HB HIS 15 3HB HIS 15 5.517 2.201 -18.313 119 HD1 HIS 15 1HD HIS 15 2.055 3.276 -18.898 120 HD2 HIS 15 2HD HIS 15 4.461 0.002 -19.981 121 HE1 HIS 15 1HE HIS 15 0.918 2.168 -20.898 122 H SER 16 HN SER 16 3.848 -0.657 -15.030 123 HA SER 16 HA SER 16 1.073 0.007 -14.661 124 1HB SER 16 2HB SER 16 0.916 -1.039 -16.842 125 2HB SER 16 3HB SER 16 1.756 -2.487 -16.245 126 HG SER 16 HG SER 16 -0.643 -2.554 -16.301 127 H CYS 17 HN CYS 17 0.472 -2.776 -13.887 128 HA CYS 17 HA CYS 17 0.290 -3.756 -11.814 129 1HB CYS 17 2HB CYS 17 3.327 -3.532 -11.802 130 2HB CYS 17 3HB CYS 17 2.382 -4.326 -10.537 131 HG CYS 17 HG CYS 17 3.481 -6.087 -12.051 132 H THR 18 HN THR 18 -0.368 -1.158 -12.037 133 HA THR 18 HA THR 18 0.116 -0.131 -9.272 134 HB THR 18 HB THR 18 -0.334 2.154 -10.390 135 HG1 THR 18 1HG THR 18 0.725 1.217 -12.746 136 1HG2 THR 18 1HG2 THR 18 2.246 0.718 -11.178 137 2HG2 THR 18 2HG2 THR 18 1.987 2.485 -11.038 138 3HG2 THR 18 3HG2 THR 18 1.910 1.457 -9.616 139 H SER 19 HN SER 19 -2.035 0.870 -11.945 140 HA SER 19 HA SER 19 -4.225 1.169 -10.369 141 1HB SER 19 2HB SER 19 -4.233 0.269 -13.291 142 2HB SER 19 3HB SER 19 -5.632 0.957 -12.438 143 HG SER 19 HG SER 19 -4.674 2.698 -13.345 144 H THR 20 HN THR 20 -3.441 -1.934 -11.826 145 HA THR 20 HA THR 20 -5.590 -3.416 -10.872 146 HB THR 20 HB THR 20 -2.585 -4.005 -11.014 147 HG1 THR 20 1HG THR 20 -3.322 -5.032 -12.967 148 1HG2 THR 20 1HG2 THR 20 -4.970 -5.816 -10.596 149 2HG2 THR 20 2HG2 THR 20 -3.349 -6.402 -11.091 150 3HG2 THR 20 3HG2 THR 20 -3.566 -5.595 -9.524 151 H ILE 21 HN ILE 21 -2.573 -2.582 -9.090 152 HA ILE 21 HA ILE 21 -3.373 -3.849 -6.649 153 HB ILE 21 HB ILE 21 -1.140 -2.014 -7.579 154 1HG1 ILE 21 2HG1 ILE 21 0.111 -4.008 -6.428 155 2HG1 ILE 21 3HG1 ILE 21 -1.409 -4.883 -6.593 156 1HG2 ILE 21 1HG2 ILE 21 -1.693 -1.180 -5.333 157 2HG2 ILE 21 2HG2 ILE 21 -1.447 -2.839 -4.706 158 3HG2 ILE 21 3HG2 ILE 21 -0.115 -1.948 -5.489 159 1HD1 ILE 21 1HD1 ILE 21 0.268 -3.569 -8.743 160 2HD1 ILE 21 2HD1 ILE 21 0.139 -5.311 -8.457 161 3HD1 ILE 21 3HD1 ILE 21 -1.258 -4.415 -9.087 162 H GLU 22 HN GLU 22 -3.563 -0.469 -7.921 163 HA GLU 22 HA GLU 22 -4.485 0.697 -5.592 164 1HB GLU 22 2HB GLU 22 -5.271 1.420 -8.468 165 2HB GLU 22 3HB GLU 22 -5.580 2.398 -7.067 166 1HG GLU 22 2HG GLU 22 -3.005 2.233 -6.634 167 2HG GLU 22 3HG GLU 22 -2.898 1.730 -8.315 168 H GLY 23 HN GLY 23 -6.430 -0.320 -8.287 169 1HA GLY 23 1HA GLY 23 -9.031 -0.220 -7.300 170 2HA GLY 23 2HA GLY 23 -8.484 -1.415 -8.490 171 H LYS 24 HN LYS 24 -6.846 -3.123 -7.149 172 HA LYS 24 HA LYS 24 -8.700 -4.724 -5.714 173 1HB LYS 24 2HB LYS 24 -6.686 -5.579 -6.935 174 2HB LYS 24 3HB LYS 24 -5.666 -4.891 -5.670 175 1HG LYS 24 2HG LYS 24 -7.179 -6.332 -4.032 176 2HG LYS 24 3HG LYS 24 -7.655 -7.172 -5.517 177 1HD LYS 24 2HD LYS 24 -5.241 -7.737 -5.920 178 2HD LYS 24 3HD LYS 24 -4.786 -6.747 -4.530 179 1HE LYS 24 2HE LYS 24 -4.718 -9.034 -3.816 180 2HE LYS 24 3HE LYS 24 -6.048 -8.217 -2.992 181 1HZ LYS 24 1HZ LYS 24 -6.300 -9.996 -5.335 182 2HZ LYS 24 2HZ LYS 24 -6.690 -10.374 -3.785 183 3HZ LYS 24 3HZ LYS 24 -7.554 -9.232 -4.588 184 H ILE 25 HN ILE 25 -5.803 -2.924 -4.426 185 HA ILE 25 HA ILE 25 -6.268 -3.496 -1.711 186 HB ILE 25 HB ILE 25 -4.886 -1.277 -3.271 187 1HG1 ILE 25 2HG1 ILE 25 -2.916 -2.364 -3.023 188 2HG1 ILE 25 3HG1 ILE 25 -3.355 -3.116 -1.478 189 1HG2 ILE 25 1HG2 ILE 25 -5.046 -1.693 -0.349 190 2HG2 ILE 25 2HG2 ILE 25 -3.632 -0.920 -1.099 191 3HG2 ILE 25 3HG2 ILE 25 -5.231 -0.177 -1.325 192 1HD1 ILE 25 1HD1 ILE 25 -4.037 -4.139 -4.220 193 2HD1 ILE 25 2HD1 ILE 25 -2.970 -4.839 -2.995 194 3HD1 ILE 25 3HD1 ILE 25 -4.715 -4.761 -2.693 195 H GLY 26 HN GLY 26 -7.466 -0.869 -3.758 196 1HA GLY 26 1HA GLY 26 -8.823 0.705 -1.866 197 2HA GLY 26 2HA GLY 26 -9.257 0.502 -3.567 198 H LYS 27 HN LYS 27 -9.545 -2.616 -2.703 199 HA LYS 27 HA LYS 27 -12.375 -2.340 -1.873 200 1HB LYS 27 2HB LYS 27 -10.886 -4.146 -3.674 201 2HB LYS 27 3HB LYS 27 -11.946 -4.992 -2.552 202 1HG LYS 27 2HG LYS 27 -12.879 -2.565 -4.133 203 2HG LYS 27 3HG LYS 27 -12.857 -4.180 -4.842 204 1HD LYS 27 2HD LYS 27 -14.295 -5.085 -3.114 205 2HD LYS 27 3HD LYS 27 -14.269 -3.561 -2.210 206 1HE LYS 27 2HE LYS 27 -15.402 -2.403 -4.092 207 2HE LYS 27 3HE LYS 27 -15.411 -3.907 -5.029 208 1HZ LYS 27 1HZ LYS 27 -16.790 -3.497 -2.455 209 2HZ LYS 27 2HZ LYS 27 -17.506 -3.507 -3.935 210 3HZ LYS 27 3HZ LYS 27 -16.817 -4.880 -3.349 211 H LEU 28 HN LEU 28 -9.161 -3.145 -0.568 212 HA LEU 28 HA LEU 28 -10.048 -5.059 1.224 213 1HB LEU 28 2HB LEU 28 -7.732 -3.117 1.271 214 2HB LEU 28 3HB LEU 28 -8.007 -4.341 2.484 215 HG LEU 28 HG LEU 28 -6.527 -4.627 0.139 216 1HD1 LEU 28 1HD1 LEU 28 -6.143 -5.636 2.318 217 2HD1 LEU 28 2HD1 LEU 28 -7.652 -6.578 2.150 218 3HD1 LEU 28 3HD1 LEU 28 -6.261 -6.933 1.103 219 1HD2 LEU 28 1HD2 LEU 28 -8.925 -6.478 0.059 220 2HD2 LEU 28 2HD2 LEU 28 -8.549 -5.221 -1.148 221 3HD2 LEU 28 3HD2 LEU 28 -7.469 -6.599 -0.942 222 H GLN 29 HN GLN 29 -10.677 -4.964 3.289 223 HA GLN 29 HA GLN 29 -12.094 -2.754 4.345 224 1HB GLN 29 2HB GLN 29 -12.339 -4.095 6.334 225 2HB GLN 29 3HB GLN 29 -12.620 -5.020 4.858 226 1HG GLN 29 2HG GLN 29 -9.922 -5.425 5.254 227 2HG GLN 29 3HG GLN 29 -10.496 -5.302 6.916 228 1HE2 GLN 29 2HE2 GLN 29 -9.435 -7.633 5.226 229 2HE2 GLN 29 1HE2 GLN 29 -10.691 -8.851 5.350 230 H GLY 30 HN GLY 30 -11.181 -0.851 4.913 231 1HA GLY 30 1HA GLY 30 -10.124 0.168 6.892 232 2HA GLY 30 2HA GLY 30 -8.720 -0.884 6.651 233 H VAL 31 HN VAL 31 -9.182 -0.384 3.544 234 HA VAL 31 HA VAL 31 -7.373 1.913 3.548 235 HB VAL 31 HB VAL 31 -8.290 -0.249 1.630 236 1HG1 VAL 31 1HG1 VAL 31 -8.385 1.704 0.252 237 2HG1 VAL 31 2HG1 VAL 31 -6.792 2.269 0.832 238 3HG1 VAL 31 3HG1 VAL 31 -6.929 0.791 -0.150 239 1HG2 VAL 31 1HG2 VAL 31 -5.511 0.723 2.437 240 2HG2 VAL 31 2HG2 VAL 31 -6.367 -0.621 3.223 241 3HG2 VAL 31 3HG2 VAL 31 -5.916 -0.737 1.516 242 H GLN 32 HN GLN 32 -7.824 3.837 2.800 243 HA GLN 32 HA GLN 32 -10.609 4.524 2.037 244 1HB GLN 32 2HB GLN 32 -8.588 5.705 3.705 245 2HB GLN 32 3HB GLN 32 -9.256 6.894 2.566 246 1HG GLN 32 2HG GLN 32 -10.958 5.093 4.351 247 2HG GLN 32 3HG GLN 32 -10.291 6.645 4.870 248 1HE2 GLN 32 2HE2 GLN 32 -12.546 5.208 2.482 249 2HE2 GLN 32 1HE2 GLN 32 -13.390 6.714 2.182 250 H ARG 33 HN ARG 33 -7.132 5.119 1.129 251 HA ARG 33 HA ARG 33 -7.994 5.324 -1.679 252 1HB ARG 33 2HB ARG 33 -7.832 7.688 -0.231 253 2HB ARG 33 3HB ARG 33 -6.169 7.509 -0.768 254 1HG ARG 33 2HG ARG 33 -7.177 8.838 -2.356 255 2HG ARG 33 3HG ARG 33 -7.068 7.264 -3.153 256 1HD ARG 33 2HD ARG 33 -9.457 6.936 -2.995 257 2HD ARG 33 3HD ARG 33 -9.583 8.019 -1.624 258 HE ARG 33 HE ARG 33 -9.929 9.778 -2.953 259 1HH1 ARG 33 1HH2 ARG 33 -8.461 7.286 -4.947 260 2HH1 ARG 33 2HH2 ARG 33 -8.321 8.257 -6.378 261 1HH2 ARG 33 1HH1 ARG 33 -9.729 11.143 -4.808 262 2HH2 ARG 33 2HH1 ARG 33 -9.093 10.514 -6.292 263 H ILE 34 HN ILE 34 -6.089 5.302 -3.140 264 HA ILE 34 HA ILE 34 -3.517 4.612 -1.978 265 HB ILE 34 HB ILE 34 -4.547 2.458 -2.056 266 1HG1 ILE 34 2HG1 ILE 34 -2.819 2.604 -4.546 267 2HG1 ILE 34 3HG1 ILE 34 -2.157 2.960 -2.967 268 1HG2 ILE 34 1HG2 ILE 34 -6.389 2.965 -3.712 269 2HG2 ILE 34 2HG2 ILE 34 -5.192 2.798 -5.003 270 3HG2 ILE 34 3HG2 ILE 34 -5.567 1.438 -3.932 271 1HD1 ILE 34 1HD1 ILE 34 -3.376 0.309 -3.777 272 2HD1 ILE 34 2HD1 ILE 34 -1.679 0.661 -3.423 273 3HD1 ILE 34 3HD1 ILE 34 -2.885 0.765 -2.140 274 H LYS 35 HN LYS 35 -1.850 5.239 -3.217 275 HA LYS 35 HA LYS 35 -2.259 6.028 -6.063 276 1HB LYS 35 2HB LYS 35 -0.825 7.597 -3.859 277 2HB LYS 35 3HB LYS 35 -0.666 7.891 -5.589 278 1HG LYS 35 2HG LYS 35 -2.138 9.513 -4.850 279 2HG LYS 35 3HG LYS 35 -3.142 8.336 -5.690 280 1HD LYS 35 2HD LYS 35 -4.359 7.865 -3.858 281 2HD LYS 35 3HD LYS 35 -2.964 7.754 -2.782 282 1HE LYS 35 2HE LYS 35 -4.124 10.410 -3.754 283 2HE LYS 35 3HE LYS 35 -4.722 9.580 -2.312 284 1HZ LYS 35 1HZ LYS 35 -1.926 10.409 -2.671 285 2HZ LYS 35 2HZ LYS 35 -3.053 11.226 -1.793 286 3HZ LYS 35 3HZ LYS 35 -2.585 9.721 -1.330 287 H VAL 36 HN VAL 36 -1.014 4.331 -6.985 288 HA VAL 36 HA VAL 36 1.620 3.649 -5.700 289 HB VAL 36 HB VAL 36 -0.012 2.047 -7.672 290 1HG1 VAL 36 1HG1 VAL 36 2.310 1.017 -5.992 291 2HG1 VAL 36 2HG1 VAL 36 1.540 0.270 -7.383 292 3HG1 VAL 36 3HG1 VAL 36 2.578 1.696 -7.576 293 1HG2 VAL 36 1HG2 VAL 36 0.309 0.755 -5.078 294 2HG2 VAL 36 2HG2 VAL 36 -0.450 2.327 -4.863 295 3HG2 VAL 36 3HG2 VAL 36 -1.160 1.137 -5.973 296 H SER 37 HN SER 37 3.384 4.565 -6.636 297 HA SER 37 HA SER 37 3.135 5.760 -9.324 298 1HB SER 37 2HB SER 37 4.296 6.950 -7.455 299 2HB SER 37 3HB SER 37 5.499 5.649 -7.445 300 HG SER 37 HG SER 37 5.050 7.606 -9.415 301 H LEU 38 HN LEU 38 5.355 5.428 -10.511 302 HA LEU 38 HA LEU 38 6.139 2.567 -10.671 303 1HB LEU 38 2HB LEU 38 4.906 4.204 -12.873 304 2HB LEU 38 3HB LEU 38 6.273 3.181 -13.323 305 HG LEU 38 HG LEU 38 4.205 1.933 -11.559 306 1HD1 LEU 38 1HD1 LEU 38 2.797 3.118 -13.124 307 2HD1 LEU 38 2HD1 LEU 38 3.777 2.573 -14.481 308 3HD1 LEU 38 3HD1 LEU 38 2.826 1.397 -13.532 309 1HD2 LEU 38 1HD2 LEU 38 6.474 0.973 -12.603 310 2HD2 LEU 38 2HD2 LEU 38 5.035 -0.022 -12.434 311 3HD2 LEU 38 3HD2 LEU 38 5.435 0.690 -14.002 312 H ASP 39 HN ASP 39 6.886 5.805 -12.107 313 HA ASP 39 HA ASP 39 9.567 5.636 -12.443 314 1HB ASP 39 2HB ASP 39 8.200 7.978 -11.034 315 2HB ASP 39 3HB ASP 39 9.638 8.016 -12.037 316 H ASN 40 HN ASN 40 7.888 6.574 -9.438 317 HA ASN 40 HA ASN 40 10.388 6.783 -8.106 318 1HB ASN 40 2HB ASN 40 7.946 7.970 -7.709 319 2HB ASN 40 3HB ASN 40 7.918 6.786 -6.407 320 1HD2 ASN 40 2HD2 ASN 40 7.887 8.726 -4.976 321 2HD2 ASN 40 1HD2 ASN 40 9.404 9.555 -4.668 322 H GLN 41 HN GLN 41 8.447 4.122 -8.781 323 HA GLN 41 HA GLN 41 8.174 2.028 -8.072 324 1HB GLN 41 2HB GLN 41 10.736 2.387 -6.515 325 2HB GLN 41 3HB GLN 41 10.106 0.903 -7.275 326 1HG GLN 41 2HG GLN 41 10.259 2.083 -9.473 327 2HG GLN 41 3HG GLN 41 11.052 3.428 -8.640 328 1HE2 GLN 41 2HE2 GLN 41 12.336 1.984 -10.745 329 2HE2 GLN 41 1HE2 GLN 41 13.711 1.150 -10.043 330 H GLU 42 HN GLU 42 7.396 4.269 -6.309 331 HA GLU 42 HA GLU 42 7.008 2.854 -3.702 332 1HB GLU 42 2HB GLU 42 8.661 4.963 -4.015 333 2HB GLU 42 3HB GLU 42 7.164 5.866 -3.800 334 1HG GLU 42 2HG GLU 42 6.801 4.771 -1.625 335 2HG GLU 42 3HG GLU 42 8.193 3.706 -1.900 336 H ALA 43 HN ALA 43 5.094 3.461 -2.461 337 HA ALA 43 HA ALA 43 2.877 4.635 -4.063 338 1HB ALA 43 1HB ALA 43 2.647 1.984 -2.620 339 2HB ALA 43 2HB ALA 43 1.410 2.797 -3.565 340 3HB ALA 43 3HB ALA 43 2.886 2.167 -4.352 341 H THR 44 HN THR 44 1.110 5.380 -2.767 342 HA THR 44 HA THR 44 1.710 5.876 0.081 343 HB THR 44 HB THR 44 0.818 7.722 -2.172 344 HG1 THR 44 1HG THR 44 2.712 8.791 -1.649 345 1HG2 THR 44 1HG2 THR 44 1.030 8.253 0.804 346 2HG2 THR 44 2HG2 THR 44 0.709 9.489 -0.437 347 3HG2 THR 44 3HG2 THR 44 -0.480 8.205 -0.140 348 H ILE 45 HN ILE 45 0.083 4.825 1.152 349 HA ILE 45 HA ILE 45 -2.622 4.748 -0.075 350 HB ILE 45 HB ILE 45 -1.457 2.724 1.882 351 1HG1 ILE 45 2HG1 ILE 45 -1.590 1.414 -0.501 352 2HG1 ILE 45 3HG1 ILE 45 -1.141 3.009 -1.089 353 1HG2 ILE 45 1HG2 ILE 45 -3.942 2.721 1.775 354 2HG2 ILE 45 2HG2 ILE 45 -3.855 2.609 0.011 355 3HG2 ILE 45 3HG2 ILE 45 -3.297 1.278 1.015 356 1HD1 ILE 45 1HD1 ILE 45 0.279 1.333 0.975 357 2HD1 ILE 45 2HD1 ILE 45 0.745 1.594 -0.722 358 3HD1 ILE 45 3HD1 ILE 45 0.858 2.927 0.446 359 H VAL 46 HN VAL 46 -4.401 4.733 1.605 360 HA VAL 46 HA VAL 46 -3.586 6.052 4.112 361 HB VAL 46 HB VAL 46 -4.185 7.743 2.535 362 1HG1 VAL 46 1HG1 VAL 46 -6.883 6.563 2.672 363 2HG1 VAL 46 2HG1 VAL 46 -6.460 8.121 1.912 364 3HG1 VAL 46 3HG1 VAL 46 -5.743 6.607 1.301 365 1HG2 VAL 46 1HG2 VAL 46 -6.054 7.466 4.927 366 2HG2 VAL 46 2HG2 VAL 46 -4.419 8.160 4.966 367 3HG2 VAL 46 3HG2 VAL 46 -5.702 8.979 4.069 368 H TYR 47 HN TYR 47 -4.238 4.895 5.821 369 HA TYR 47 HA TYR 47 -6.802 3.566 5.914 370 1HB TYR 47 2HB TYR 47 -5.948 1.278 6.178 371 2HB TYR 47 3HB TYR 47 -5.509 1.912 4.601 372 HD1 TYR 47 1HD TYR 47 -3.238 2.107 3.899 373 HD2 TYR 47 2HD TYR 47 -4.163 1.153 8.002 374 HE1 TYR 47 1HE TYR 47 -0.931 1.262 4.245 375 HE2 TYR 47 2HE TYR 47 -1.794 0.680 8.401 376 HH TYR 47 HH TYR 47 -0.040 -0.661 6.951 377 H GLN 48 HN GLN 48 -6.835 2.198 8.165 378 HA GLN 48 HA GLN 48 -4.841 3.217 10.077 379 1HB GLN 48 2HB GLN 48 -7.892 3.414 10.136 380 2HB GLN 48 3HB GLN 48 -7.081 2.961 11.625 381 1HG GLN 48 2HG GLN 48 -5.534 4.934 11.213 382 2HG GLN 48 3HG GLN 48 -6.694 5.514 10.042 383 1HE2 GLN 48 2HE2 GLN 48 -8.406 6.851 10.915 384 2HE2 GLN 48 1HE2 GLN 48 -8.869 6.780 12.601 385 HA PRO 49 HA PRO 49 -4.619 -0.931 11.584 386 1HB PRO 49 2HB PRO 49 -3.652 -0.528 14.095 387 2HB PRO 49 3HB PRO 49 -2.663 -0.298 12.639 388 1HG PRO 49 2HG PRO 49 -4.124 1.813 14.233 389 2HG PRO 49 3HG PRO 49 -2.441 1.864 13.643 390 1HD PRO 49 2HD PRO 49 -4.515 3.071 12.343 391 2HD PRO 49 3HD PRO 49 -3.135 2.363 11.448 392 H HIS 50 HN HIS 50 -6.947 -0.861 11.334 393 HA HIS 50 HA HIS 50 -8.227 -1.507 13.916 394 1HB HIS 50 2HB HIS 50 -8.907 0.892 12.337 395 2HB HIS 50 3HB HIS 50 -10.284 -0.201 12.460 396 HD1 HIS 50 1HD HIS 50 -7.677 1.193 14.974 397 HD2 HIS 50 2HD HIS 50 -11.688 -0.028 14.622 398 HE1 HIS 50 1HE HIS 50 -8.816 1.711 17.225 399 H LEU 51 HN LEU 51 -8.975 -1.124 10.428 400 HA LEU 51 HA LEU 51 -10.277 -3.772 10.427 401 1HB LEU 51 2HB LEU 51 -9.983 -1.554 8.429 402 2HB LEU 51 3HB LEU 51 -10.704 -3.113 8.000 403 HG LEU 51 HG LEU 51 -11.735 -1.476 10.339 404 1HD1 LEU 51 1HD1 LEU 51 -11.879 -0.020 8.384 405 2HD1 LEU 51 2HD1 LEU 51 -12.596 -1.330 7.415 406 3HD1 LEU 51 3HD1 LEU 51 -13.494 -0.622 8.774 407 1HD2 LEU 51 1HD2 LEU 51 -12.494 -3.824 10.272 408 2HD2 LEU 51 2HD2 LEU 51 -13.829 -2.737 9.877 409 3HD2 LEU 51 3HD2 LEU 51 -13.006 -3.627 8.584 410 H ILE 52 HN ILE 52 -7.089 -2.402 9.651 411 HA ILE 52 HA ILE 52 -6.333 -4.958 8.414 412 HB ILE 52 HB ILE 52 -6.560 -3.020 6.853 413 1HG1 ILE 52 2HG1 ILE 52 -4.492 -3.387 5.721 414 2HG1 ILE 52 3HG1 ILE 52 -3.723 -4.137 7.131 415 1HG2 ILE 52 1HG2 ILE 52 -4.071 -2.009 8.238 416 2HG2 ILE 52 2HG2 ILE 52 -4.968 -1.254 6.898 417 3HG2 ILE 52 3HG2 ILE 52 -5.701 -1.369 8.512 418 1HD1 ILE 52 1HD1 ILE 52 -6.278 -5.167 5.863 419 2HD1 ILE 52 2HD1 ILE 52 -4.665 -5.654 5.274 420 3HD1 ILE 52 3HD1 ILE 52 -5.162 -6.058 6.935 421 H SER 53 HN SER 53 -4.332 -5.801 9.039 422 HA SER 53 HA SER 53 -3.518 -5.103 11.686 423 1HB SER 53 2HB SER 53 -2.455 -7.008 9.705 424 2HB SER 53 3HB SER 53 -1.947 -6.993 11.400 425 HG SER 53 HG SER 53 -3.629 -8.486 11.181 426 H VAL 54 HN VAL 54 -2.952 -3.120 9.576 427 HA VAL 54 HA VAL 54 -1.514 -1.548 9.001 428 HB VAL 54 HB VAL 54 -0.708 -2.194 11.630 429 1HG1 VAL 54 1HG1 VAL 54 1.689 -1.640 9.843 430 2HG1 VAL 54 2HG1 VAL 54 1.665 -1.503 11.613 431 3HG1 VAL 54 3HG1 VAL 54 1.441 -3.084 10.862 432 1HG2 VAL 54 1HG2 VAL 54 -1.590 -0.057 10.713 433 2HG2 VAL 54 2HG2 VAL 54 -0.125 0.150 11.696 434 3HG2 VAL 54 3HG2 VAL 54 -0.028 0.213 9.924 435 H GLU 55 HN GLU 55 0.346 -4.479 9.587 436 HA GLU 55 HA GLU 55 2.052 -4.025 7.303 437 1HB GLU 55 2HB GLU 55 2.264 -5.454 9.669 438 2HB GLU 55 3HB GLU 55 1.954 -6.718 8.474 439 1HG GLU 55 2HG GLU 55 4.290 -6.482 8.625 440 2HG GLU 55 3HG GLU 55 3.871 -5.671 7.100 441 H GLU 56 HN GLU 56 -0.806 -6.105 7.995 442 HA GLU 56 HA GLU 56 -0.613 -7.901 5.919 443 1HB GLU 56 2HB GLU 56 -2.953 -6.605 7.324 444 2HB GLU 56 3HB GLU 56 -3.228 -7.689 5.958 445 1HG GLU 56 2HG GLU 56 -1.601 -8.463 8.387 446 2HG GLU 56 3HG GLU 56 -3.304 -8.898 8.134 447 H MET 57 HN MET 57 -2.155 -4.673 5.732 448 HA MET 57 HA MET 57 -3.032 -4.506 3.236 449 1HB MET 57 2HB MET 57 -2.398 -2.755 5.312 450 2HB MET 57 3HB MET 57 -1.260 -2.236 4.106 451 1HG MET 57 2HG MET 57 -4.252 -2.665 3.650 452 2HG MET 57 3HG MET 57 -3.513 -1.165 4.129 453 1HE MET 57 1HE MET 57 -1.759 0.135 2.382 454 2HE MET 57 2HE MET 57 -0.776 -1.336 2.178 455 3HE MET 57 3HE MET 57 -1.395 -0.489 0.755 456 H LYS 58 HN LYS 58 0.409 -4.073 4.112 457 HA LYS 58 HA LYS 58 1.253 -3.894 1.300 458 1HB LYS 58 2HB LYS 58 2.294 -2.462 2.905 459 2HB LYS 58 3HB LYS 58 2.677 -3.769 3.998 460 1HG LYS 58 2HG LYS 58 3.727 -4.050 1.189 461 2HG LYS 58 3HG LYS 58 4.441 -2.755 2.115 462 1HD LYS 58 2HD LYS 58 5.612 -4.090 3.449 463 2HD LYS 58 3HD LYS 58 4.274 -5.180 3.784 464 1HE LYS 58 2HE LYS 58 4.690 -6.573 1.995 465 2HE LYS 58 3HE LYS 58 5.528 -5.352 1.063 466 1HZ LYS 58 1HZ LYS 58 6.924 -5.912 3.466 467 2HZ LYS 58 2HZ LYS 58 6.673 -7.259 2.556 468 3HZ LYS 58 3HZ LYS 58 7.448 -6.001 1.902 469 H LYS 59 HN LYS 59 1.516 -6.300 3.963 470 HA LYS 59 HA LYS 59 3.046 -8.206 2.561 471 1HB LYS 59 2HB LYS 59 1.288 -8.047 4.916 472 2HB LYS 59 3HB LYS 59 1.196 -9.614 4.128 473 1HG LYS 59 2HG LYS 59 2.823 -9.421 5.914 474 2HG LYS 59 3HG LYS 59 3.508 -9.994 4.377 475 1HD LYS 59 2HD LYS 59 4.650 -7.805 4.029 476 2HD LYS 59 3HD LYS 59 3.811 -7.129 5.406 477 1HE LYS 59 2HE LYS 59 5.272 -8.076 6.920 478 2HE LYS 59 3HE LYS 59 5.063 -9.672 6.204 479 1HZ LYS 59 1HZ LYS 59 7.041 -7.698 5.435 480 2HZ LYS 59 2HZ LYS 59 7.256 -9.234 5.964 481 3HZ LYS 59 3HZ LYS 59 6.639 -8.972 4.459 482 H GLN 60 HN GLN 60 -0.340 -7.299 2.047 483 HA GLN 60 HA GLN 60 -1.052 -9.694 0.656 484 1HB GLN 60 2HB GLN 60 -3.053 -8.752 0.372 485 2HB GLN 60 3HB GLN 60 -2.484 -7.568 1.547 486 1HG GLN 60 2HG GLN 60 -1.680 -6.180 -0.440 487 2HG GLN 60 3HG GLN 60 -2.469 -7.365 -1.485 488 1HE2 GLN 60 2HE2 GLN 60 -2.911 -4.794 0.864 489 2HE2 GLN 60 1HE2 GLN 60 -4.627 -4.541 0.575 490 H ILE 61 HN ILE 61 0.750 -6.797 -0.207 491 HA ILE 61 HA ILE 61 0.669 -7.300 -3.042 492 HB ILE 61 HB ILE 61 2.223 -5.391 -1.376 493 1HG1 ILE 61 2HG1 ILE 61 0.888 -4.018 -3.413 494 2HG1 ILE 61 3HG1 ILE 61 -0.235 -5.340 -3.101 495 1HG2 ILE 61 1HG2 ILE 61 2.401 -5.817 -4.407 496 2HG2 ILE 61 2HG2 ILE 61 3.137 -4.476 -3.504 497 3HG2 ILE 61 3HG2 ILE 61 3.718 -6.123 -3.262 498 1HD1 ILE 61 1HD1 ILE 61 0.930 -3.378 -1.124 499 2HD1 ILE 61 2HD1 ILE 61 -0.774 -3.483 -1.641 500 3HD1 ILE 61 3HD1 ILE 61 -0.045 -4.781 -0.658 501 H GLU 62 HN GLU 62 2.931 -8.040 -0.338 502 HA GLU 62 HA GLU 62 5.056 -9.184 -1.878 503 1HB GLU 62 2HB GLU 62 4.051 -9.610 0.949 504 2HB GLU 62 3HB GLU 62 5.077 -10.836 0.221 505 1HG GLU 62 2HG GLU 62 6.782 -9.166 -0.315 506 2HG GLU 62 3HG GLU 62 5.844 -7.933 0.529 507 H ALA 63 HN ALA 63 2.072 -10.523 -0.457 508 HA ALA 63 HA ALA 63 2.254 -13.150 -1.348 509 1HB ALA 63 1HB ALA 63 -0.336 -11.610 -1.018 510 2HB ALA 63 2HB ALA 63 -0.046 -13.337 -0.755 511 3HB ALA 63 3HB ALA 63 0.671 -12.131 0.342 512 H MET 64 HN MET 64 1.487 -10.328 -3.368 513 HA MET 64 HA MET 64 0.109 -11.807 -5.447 514 1HB MET 64 2HB MET 64 1.723 -9.235 -5.659 515 2HB MET 64 3HB MET 64 0.590 -9.865 -6.847 516 1HG MET 64 2HG MET 64 -0.203 -9.120 -4.037 517 2HG MET 64 3HG MET 64 -0.265 -7.977 -5.357 518 1HE MET 64 1HE MET 64 -1.570 -9.084 -7.742 519 2HE MET 64 2HE MET 64 -3.310 -8.989 -7.380 520 3HE MET 64 3HE MET 64 -2.228 -7.668 -6.881 521 H GLY 65 HN GLY 65 3.478 -11.322 -4.478 522 1HA GLY 65 1HA GLY 65 4.925 -13.167 -5.425 523 2HA GLY 65 2HA GLY 65 4.493 -12.536 -7.023 524 H PHE 66 HN PHE 66 4.454 -9.706 -6.127 525 HA PHE 66 HA PHE 66 7.276 -9.265 -6.693 526 1HB PHE 66 2HB PHE 66 4.983 -7.318 -6.278 527 2HB PHE 66 3HB PHE 66 6.619 -6.864 -6.729 528 HD1 PHE 66 1HD PHE 66 3.453 -7.444 -8.101 529 HD2 PHE 66 2HD PHE 66 7.624 -8.309 -8.804 530 HE1 PHE 66 1HE PHE 66 2.967 -7.894 -10.487 531 HE2 PHE 66 2HE PHE 66 7.133 -8.751 -11.176 532 HZ PHE 66 HZ PHE 66 4.813 -8.537 -12.037 533 HA PRO 67 HA PRO 67 8.010 -8.796 -2.242 534 1HB PRO 67 2HB PRO 67 10.619 -7.945 -2.274 535 2HB PRO 67 3HB PRO 67 10.149 -9.640 -2.597 536 1HG PRO 67 2HG PRO 67 10.747 -7.470 -4.621 537 2HG PRO 67 3HG PRO 67 11.367 -9.144 -4.596 538 1HD PRO 67 2HD PRO 67 9.241 -8.383 -6.119 539 2HD PRO 67 3HD PRO 67 9.290 -10.007 -5.363 540 H ALA 68 HN ALA 68 7.049 -7.082 -1.247 541 HA ALA 68 HA ALA 68 7.722 -4.306 -2.182 542 1HB ALA 68 1HB ALA 68 5.411 -3.786 -1.244 543 2HB ALA 68 2HB ALA 68 5.472 -4.770 -2.712 544 3HB ALA 68 3HB ALA 68 5.146 -5.551 -1.158 545 H PHE 69 HN PHE 69 6.971 -2.885 -0.074 546 HA PHE 69 HA PHE 69 7.951 -3.986 2.418 547 1HB PHE 69 2HB PHE 69 10.004 -3.434 0.775 548 2HB PHE 69 3HB PHE 69 9.694 -1.793 1.306 549 HD1 PHE 69 1HD PHE 69 10.743 -5.191 2.285 550 HD2 PHE 69 2HD PHE 69 10.139 -1.147 3.681 551 HE1 PHE 69 1HE PHE 69 12.051 -5.693 4.324 552 HE2 PHE 69 2HE PHE 69 11.389 -1.675 5.742 553 HZ PHE 69 HZ PHE 69 12.370 -3.940 6.068 554 H VAL 70 HN VAL 70 7.586 -2.564 4.255 555 HA VAL 70 HA VAL 70 6.109 -0.086 3.584 556 HB VAL 70 HB VAL 70 5.308 -2.431 5.113 557 1HG1 VAL 70 1HG1 VAL 70 4.440 -1.314 7.111 558 2HG1 VAL 70 2HG1 VAL 70 6.209 -1.396 7.090 559 3HG1 VAL 70 3HG1 VAL 70 5.374 0.144 6.727 560 1HG2 VAL 70 1HG2 VAL 70 3.153 -1.324 4.998 561 2HG2 VAL 70 2HG2 VAL 70 3.945 0.220 4.621 562 3HG2 VAL 70 3HG2 VAL 70 4.007 -1.089 3.452 563 H LYS 71 HN LYS 71 6.959 1.678 4.365 564 HA LYS 71 HA LYS 71 9.508 1.576 5.774 565 1HB LYS 71 2HB LYS 71 7.794 3.850 4.785 566 2HB LYS 71 3HB LYS 71 9.306 4.072 5.700 567 1HG LYS 71 2HG LYS 71 10.648 3.072 4.024 568 2HG LYS 71 3HG LYS 71 9.296 2.178 3.348 569 1HD LYS 71 2HD LYS 71 9.840 3.738 1.731 570 2HD LYS 71 3HD LYS 71 8.322 4.268 2.423 571 1HE LYS 71 2HE LYS 71 11.115 5.388 3.049 572 2HE LYS 71 3HE LYS 71 9.939 6.115 1.953 573 1HZ LYS 71 1HZ LYS 71 9.611 5.779 4.847 574 2HZ LYS 71 2HZ LYS 71 9.835 7.189 4.040 575 3HZ LYS 71 3HZ LYS 71 8.436 6.333 3.839 576 H LYS 72 HN LYS 72 6.573 3.514 6.770 577 HA LYS 72 HA LYS 72 6.461 2.164 9.287 578 1HB LYS 72 2HB LYS 72 8.375 3.810 9.686 579 2HB LYS 72 3HB LYS 72 7.217 5.125 9.408 580 1HG LYS 72 2HG LYS 72 5.823 4.242 11.310 581 2HG LYS 72 3HG LYS 72 7.000 2.926 11.519 582 1HD LYS 72 2HD LYS 72 8.718 4.807 11.975 583 2HD LYS 72 3HD LYS 72 7.316 5.909 11.984 584 1HE LYS 72 2HE LYS 72 6.307 4.078 13.665 585 2HE LYS 72 3HE LYS 72 8.007 3.642 13.898 586 1HZ LYS 72 1HZ LYS 72 6.616 6.169 14.400 587 2HZ LYS 72 2HZ LYS 72 7.322 5.225 15.511 588 3HZ LYS 72 3HZ LYS 72 8.275 6.092 14.470 589 H ILE 73 HN ILE 73 4.456 2.687 10.393 590 HA ILE 73 HA ILE 73 2.703 4.705 9.307 591 HB ILE 73 HB ILE 73 2.294 3.067 7.705 592 1HG1 ILE 73 2HG1 ILE 73 0.009 2.407 8.054 593 2HG1 ILE 73 3HG1 ILE 73 0.086 2.783 9.777 594 1HG2 ILE 73 1HG2 ILE 73 1.700 0.721 8.287 595 2HG2 ILE 73 2HG2 ILE 73 3.363 1.176 8.661 596 3HG2 ILE 73 3HG2 ILE 73 2.168 1.085 9.969 597 1HD1 ILE 73 1HD1 ILE 73 0.914 4.973 7.876 598 2HD1 ILE 73 2HD1 ILE 73 -0.782 4.501 7.850 599 3HD1 ILE 73 3HD1 ILE 73 -0.032 5.067 9.365 600 H GLU 74 HN GLU 74 1.247 5.390 10.953 601 HA GLU 74 HA GLU 74 0.409 3.684 13.067 602 1HB GLU 74 2HB GLU 74 1.417 5.291 14.875 603 2HB GLU 74 3HB GLU 74 2.597 4.241 14.083 604 1HG GLU 74 2HG GLU 74 3.213 6.132 12.531 605 2HG GLU 74 3HG GLU 74 2.081 7.170 13.406 606 H GLY 75 HN GLY 75 -1.364 4.585 14.272 607 1HA GLY 75 1HA GLY 75 -2.472 7.137 13.543 608 2HA GLY 75 2HA GLY 75 -3.117 5.838 12.521 609 H ARG 76 HN ARG 76 -3.339 7.362 15.515 610 HA ARG 76 HA ARG 76 -4.358 7.043 17.474 611 1HB ARG 76 2HB ARG 76 -6.045 5.131 15.871 612 2HB ARG 76 3HB ARG 76 -5.900 4.800 17.587 613 1HG ARG 76 2HG ARG 76 -7.801 6.144 17.371 614 2HG ARG 76 3HG ARG 76 -6.547 7.158 18.094 615 1HD ARG 76 2HD ARG 76 -6.088 8.048 15.733 616 2HD ARG 76 3HD ARG 76 -7.512 7.116 15.207 617 HE ARG 76 HE ARG 76 -8.072 8.827 17.482 618 1HH1 ARG 76 1HH2 ARG 76 -7.688 8.894 13.986 619 2HH1 ARG 76 2HH2 ARG 76 -8.646 10.320 13.729 620 1HH2 ARG 76 1HH1 ARG 76 -9.288 10.771 17.215 621 2HH2 ARG 76 2HH1 ARG 76 -9.558 11.431 15.637 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -9.589 10.120 6.009 2 2H GLY 1 2H GLY 1 -9.980 11.701 5.733 3 3H GLY 1 3H GLY 1 -8.478 11.113 5.362 4 1HA GLY 1 1HA GLY 1 -8.294 12.429 7.338 5 2HA GLY 1 2HA GLY 1 -9.601 11.465 8.050 6 H GLU 2 HN GLU 2 -7.878 9.230 6.292 7 HA GLU 2 HA GLU 2 -6.995 8.034 8.726 8 1HB GLU 2 2HB GLU 2 -7.056 7.102 5.815 9 2HB GLU 2 3HB GLU 2 -6.789 6.091 7.226 10 1HG GLU 2 2HG GLU 2 -9.066 5.845 6.464 11 2HG GLU 2 3HG GLU 2 -9.043 6.588 8.065 12 H VAL 3 HN VAL 3 -4.829 6.488 8.162 13 HA VAL 3 HA VAL 3 -2.749 8.533 8.334 14 HB VAL 3 HB VAL 3 -2.633 5.516 8.703 15 1HG1 VAL 3 1HG1 VAL 3 -0.506 5.968 9.796 16 2HG1 VAL 3 2HG1 VAL 3 -0.435 6.554 8.148 17 3HG1 VAL 3 3HG1 VAL 3 -0.660 7.708 9.481 18 1HG2 VAL 3 1HG2 VAL 3 -4.135 6.601 10.379 19 2HG2 VAL 3 2HG2 VAL 3 -2.640 5.983 11.080 20 3HG2 VAL 3 3HG2 VAL 3 -2.824 7.731 10.787 21 H VAL 4 HN VAL 4 -1.501 9.023 6.671 22 HA VAL 4 HA VAL 4 -1.430 7.532 4.167 23 HB VAL 4 HB VAL 4 -0.178 10.070 5.259 24 1HG1 VAL 4 1HG1 VAL 4 1.643 9.151 4.052 25 2HG1 VAL 4 2HG1 VAL 4 0.591 8.594 2.734 26 3HG1 VAL 4 3HG1 VAL 4 0.879 10.333 2.982 27 1HG2 VAL 4 1HG2 VAL 4 -1.377 11.062 3.336 28 2HG2 VAL 4 2HG2 VAL 4 -1.949 9.454 2.849 29 3HG2 VAL 4 3HG2 VAL 4 -2.491 10.168 4.385 30 H LEU 5 HN LEU 5 -0.149 5.819 3.915 31 HA LEU 5 HA LEU 5 2.379 5.512 5.503 32 1HB LEU 5 2HB LEU 5 1.038 3.862 6.259 33 2HB LEU 5 3HB LEU 5 0.154 3.647 4.756 34 HG LEU 5 HG LEU 5 1.483 1.710 5.392 35 1HD1 LEU 5 1HD1 LEU 5 2.036 1.034 3.306 36 2HD1 LEU 5 2HD1 LEU 5 0.948 2.375 2.940 37 3HD1 LEU 5 3HD1 LEU 5 2.698 2.589 2.804 38 1HD2 LEU 5 1HD2 LEU 5 3.448 2.217 6.393 39 2HD2 LEU 5 2HD2 LEU 5 4.039 1.921 4.758 40 3HD2 LEU 5 3HD2 LEU 5 3.823 3.575 5.334 41 H LYS 6 HN LYS 6 4.162 5.310 4.263 42 HA LYS 6 HA LYS 6 3.877 5.144 1.328 43 1HB LYS 6 2HB LYS 6 5.667 6.716 3.008 44 2HB LYS 6 3HB LYS 6 6.585 5.641 1.968 45 1HG LYS 6 2HG LYS 6 6.263 6.887 0.172 46 2HG LYS 6 3HG LYS 6 4.547 6.759 0.280 47 1HD LYS 6 2HD LYS 6 4.752 8.983 0.435 48 2HD LYS 6 3HD LYS 6 4.778 8.603 2.164 49 1HE LYS 6 2HE LYS 6 7.365 8.487 1.947 50 2HE LYS 6 3HE LYS 6 7.181 9.094 0.298 51 1HZ LYS 6 1HZ LYS 6 6.412 10.516 2.762 52 2HZ LYS 6 2HZ LYS 6 7.676 10.868 1.769 53 3HZ LYS 6 3HZ LYS 6 6.138 11.069 1.234 54 H MET 7 HN MET 7 4.796 3.419 0.224 55 HA MET 7 HA MET 7 6.341 1.394 1.753 56 1HB MET 7 2HB MET 7 4.894 -0.329 0.990 57 2HB MET 7 3HB MET 7 3.940 0.833 1.890 58 1HG MET 7 2HG MET 7 3.220 1.852 -0.334 59 2HG MET 7 3HG MET 7 4.079 0.516 -1.121 60 1HE MET 7 1HE MET 7 0.693 -0.987 -1.949 61 2HE MET 7 2HE MET 7 1.181 0.702 -2.183 62 3HE MET 7 3HE MET 7 2.340 -0.625 -2.473 63 H LYS 8 HN LYS 8 7.629 0.039 0.414 64 HA LYS 8 HA LYS 8 8.360 1.288 -2.200 65 1HB LYS 8 2HB LYS 8 9.846 -0.265 -0.110 66 2HB LYS 8 3HB LYS 8 10.305 -0.544 -1.789 67 1HG LYS 8 2HG LYS 8 10.036 2.271 -0.694 68 2HG LYS 8 3HG LYS 8 11.534 1.357 -0.490 69 1HD LYS 8 2HD LYS 8 10.322 1.552 -3.255 70 2HD LYS 8 3HD LYS 8 11.186 2.952 -2.612 71 1HE LYS 8 2HE LYS 8 13.249 1.720 -2.430 72 2HE LYS 8 3HE LYS 8 12.413 0.174 -2.603 73 1HZ LYS 8 1HZ LYS 8 12.886 2.075 -4.825 74 2HZ LYS 8 2HZ LYS 8 13.321 0.462 -4.625 75 3HZ LYS 8 3HZ LYS 8 11.812 0.791 -4.831 76 H VAL 9 HN VAL 9 7.927 0.241 -4.056 77 HA VAL 9 HA VAL 9 6.642 -2.455 -3.914 78 HB VAL 9 HB VAL 9 5.846 -0.146 -5.731 79 1HG1 VAL 9 1HG1 VAL 9 5.256 -2.374 -6.567 80 2HG1 VAL 9 2HG1 VAL 9 4.515 -2.805 -5.010 81 3HG1 VAL 9 3HG1 VAL 9 3.800 -1.539 -6.030 82 1HG2 VAL 9 1HG2 VAL 9 3.815 -0.023 -4.243 83 2HG2 VAL 9 2HG2 VAL 9 4.706 -0.982 -3.042 84 3HG2 VAL 9 3HG2 VAL 9 5.298 0.621 -3.528 85 H GLU 10 HN GLU 10 8.946 -3.086 -4.256 86 HA GLU 10 HA GLU 10 10.242 -2.441 -6.721 87 1HB GLU 10 2HB GLU 10 10.779 -4.826 -4.958 88 2HB GLU 10 3HB GLU 10 11.878 -4.047 -6.102 89 1HG GLU 10 2HG GLU 10 10.828 -2.843 -3.506 90 2HG GLU 10 3HG GLU 10 12.457 -3.410 -3.872 91 H GLY 11 HN GLY 11 10.969 -4.334 -8.213 92 1HA GLY 11 1HA GLY 11 10.676 -6.296 -9.354 93 2HA GLY 11 2HA GLY 11 9.344 -6.712 -8.278 94 H MET 12 HN MET 12 7.543 -4.601 -8.788 95 HA MET 12 HA MET 12 6.411 -5.133 -11.379 96 1HB MET 12 2HB MET 12 6.117 -2.758 -9.479 97 2HB MET 12 3HB MET 12 5.218 -2.945 -10.995 98 1HG MET 12 2HG MET 12 3.746 -3.647 -9.393 99 2HG MET 12 3HG MET 12 4.346 -5.157 -10.097 100 1HE MET 12 1HE MET 12 2.910 -6.135 -8.116 101 2HE MET 12 2HE MET 12 3.320 -5.936 -6.394 102 3HE MET 12 3HE MET 12 2.631 -4.575 -7.313 103 H THR 13 HN THR 13 6.400 -3.702 -13.284 104 HA THR 13 HA THR 13 8.588 -1.729 -13.495 105 HB THR 13 HB THR 13 9.133 -2.893 -15.763 106 HG1 THR 13 1HG THR 13 8.139 -5.097 -14.274 107 1HG2 THR 13 1HG2 THR 13 10.033 -4.241 -13.175 108 2HG2 THR 13 2HG2 THR 13 10.856 -4.290 -14.744 109 3HG2 THR 13 3HG2 THR 13 10.727 -2.756 -13.860 110 H CYS 14 HN CYS 14 7.899 0.005 -14.568 111 HA CYS 14 HA CYS 14 6.594 1.453 -15.676 112 1HB CYS 14 2HB CYS 14 6.179 -0.967 -17.444 113 2HB CYS 14 3HB CYS 14 5.319 0.541 -17.765 114 HG CYS 14 HG CYS 14 7.344 0.402 -19.324 115 H HIS 15 HN HIS 15 4.212 1.860 -16.500 116 HA HIS 15 HA HIS 15 2.541 1.474 -14.162 117 1HB HIS 15 2HB HIS 15 0.924 2.874 -15.487 118 2HB HIS 15 3HB HIS 15 2.491 3.596 -15.146 119 HD1 HIS 15 1HD HIS 15 3.966 4.328 -17.185 120 HD2 HIS 15 2HD HIS 15 0.472 2.187 -18.166 121 HE1 HIS 15 1HE HIS 15 3.706 4.456 -19.721 122 H SER 16 HN SER 16 2.921 -1.014 -14.737 123 HA SER 16 HA SER 16 0.686 -2.039 -16.442 124 1HB SER 16 2HB SER 16 2.010 -4.133 -16.353 125 2HB SER 16 3HB SER 16 2.928 -2.779 -17.051 126 HG SER 16 HG SER 16 4.300 -2.865 -15.430 127 H CYS 17 HN CYS 17 2.390 -3.463 -13.746 128 HA CYS 17 HA CYS 17 -0.028 -4.148 -12.234 129 1HB CYS 17 2HB CYS 17 2.959 -4.502 -11.832 130 2HB CYS 17 3HB CYS 17 1.794 -4.888 -10.545 131 HG CYS 17 HG CYS 17 2.526 -7.063 -11.715 132 H THR 18 HN THR 18 -0.562 -1.720 -12.452 133 HA THR 18 HA THR 18 0.064 -0.507 -9.776 134 HB THR 18 HB THR 18 -0.325 1.711 -10.935 135 HG1 THR 18 1HG THR 18 -0.248 1.739 -13.190 136 1HG2 THR 18 1HG2 THR 18 2.017 0.157 -12.132 137 2HG2 THR 18 2HG2 THR 18 1.877 1.919 -11.899 138 3HG2 THR 18 3HG2 THR 18 1.979 0.838 -10.494 139 H SER 19 HN SER 19 -2.225 0.367 -12.384 140 HA SER 19 HA SER 19 -4.190 0.963 -10.619 141 1HB SER 19 2HB SER 19 -4.818 -0.095 -13.409 142 2HB SER 19 3HB SER 19 -5.614 1.234 -12.535 143 HG SER 19 HG SER 19 -4.108 2.027 -14.088 144 H THR 20 HN THR 20 -3.747 -2.201 -12.059 145 HA THR 20 HA THR 20 -5.981 -3.527 -10.950 146 HB THR 20 HB THR 20 -3.160 -4.289 -11.739 147 HG1 THR 20 1HG THR 20 -4.439 -5.637 -13.107 148 1HG2 THR 20 1HG2 THR 20 -5.047 -6.066 -10.175 149 2HG2 THR 20 2HG2 THR 20 -3.709 -6.675 -11.188 150 3HG2 THR 20 3HG2 THR 20 -3.359 -5.641 -9.798 151 H ILE 21 HN ILE 21 -2.725 -2.996 -9.425 152 HA ILE 21 HA ILE 21 -3.470 -4.091 -6.908 153 HB ILE 21 HB ILE 21 -1.237 -2.330 -7.976 154 1HG1 ILE 21 2HG1 ILE 21 -0.090 -4.392 -6.684 155 2HG1 ILE 21 3HG1 ILE 21 -1.605 -5.183 -7.095 156 1HG2 ILE 21 1HG2 ILE 21 -0.147 -2.221 -5.876 157 2HG2 ILE 21 2HG2 ILE 21 -1.666 -1.345 -5.814 158 3HG2 ILE 21 3HG2 ILE 21 -1.549 -2.955 -5.045 159 1HD1 ILE 21 1HD1 ILE 21 0.420 -3.862 -8.912 160 2HD1 ILE 21 2HD1 ILE 21 0.032 -5.587 -8.834 161 3HD1 ILE 21 3HD1 ILE 21 -1.146 -4.447 -9.521 162 H GLU 22 HN GLU 22 -3.558 -0.712 -8.191 163 HA GLU 22 HA GLU 22 -4.311 0.470 -5.801 164 1HB GLU 22 2HB GLU 22 -5.076 1.288 -8.640 165 2HB GLU 22 3HB GLU 22 -5.350 2.256 -7.220 166 1HG GLU 22 2HG GLU 22 -2.766 1.902 -6.772 167 2HG GLU 22 3HG GLU 22 -2.706 1.521 -8.483 168 H GLY 23 HN GLY 23 -6.499 -0.275 -8.431 169 1HA GLY 23 1HA GLY 23 -8.990 0.030 -7.230 170 2HA GLY 23 2HA GLY 23 -8.661 -1.112 -8.544 171 H LYS 24 HN LYS 24 -7.098 -3.051 -7.426 172 HA LYS 24 HA LYS 24 -8.869 -4.734 -6.026 173 1HB LYS 24 2HB LYS 24 -6.844 -5.441 -7.286 174 2HB LYS 24 3HB LYS 24 -5.828 -4.671 -6.075 175 1HG LYS 24 2HG LYS 24 -5.635 -6.820 -5.473 176 2HG LYS 24 3HG LYS 24 -6.937 -6.351 -4.380 177 1HD LYS 24 2HD LYS 24 -8.592 -7.426 -5.824 178 2HD LYS 24 3HD LYS 24 -7.393 -7.634 -7.120 179 1HE LYS 24 2HE LYS 24 -6.028 -9.112 -5.621 180 2HE LYS 24 3HE LYS 24 -7.293 -9.003 -4.386 181 1HZ LYS 24 1HZ LYS 24 -7.618 -10.124 -7.101 182 2HZ LYS 24 2HZ LYS 24 -7.436 -10.994 -5.722 183 3HZ LYS 24 3HZ LYS 24 -8.784 -10.082 -5.940 184 H ILE 25 HN ILE 25 -6.060 -2.867 -4.741 185 HA ILE 25 HA ILE 25 -6.519 -3.545 -2.037 186 HB ILE 25 HB ILE 25 -4.925 -1.458 -3.528 187 1HG1 ILE 25 2HG1 ILE 25 -4.195 -3.784 -3.814 188 2HG1 ILE 25 3HG1 ILE 25 -2.998 -2.709 -3.087 189 1HG2 ILE 25 1HG2 ILE 25 -3.638 -1.087 -1.409 190 2HG2 ILE 25 2HG2 ILE 25 -5.191 -0.256 -1.642 191 3HG2 ILE 25 3HG2 ILE 25 -5.100 -1.676 -0.591 192 1HD1 ILE 25 1HD1 ILE 25 -4.785 -4.686 -1.638 193 2HD1 ILE 25 2HD1 ILE 25 -3.066 -4.880 -1.972 194 3HD1 ILE 25 3HD1 ILE 25 -3.613 -3.585 -0.871 195 H GLY 26 HN GLY 26 -7.697 -0.875 -4.003 196 1HA GLY 26 1HA GLY 26 -8.896 0.786 -2.125 197 2HA GLY 26 2HA GLY 26 -9.519 0.432 -3.739 198 H LYS 27 HN LYS 27 -9.780 -2.584 -2.831 199 HA LYS 27 HA LYS 27 -12.526 -2.238 -1.755 200 1HB LYS 27 2HB LYS 27 -12.848 -3.537 -3.514 201 2HB LYS 27 3HB LYS 27 -11.177 -4.054 -3.620 202 1HG LYS 27 2HG LYS 27 -11.522 -5.638 -1.782 203 2HG LYS 27 3HG LYS 27 -13.244 -5.202 -1.711 204 1HD LYS 27 2HD LYS 27 -13.598 -5.946 -3.992 205 2HD LYS 27 3HD LYS 27 -11.859 -6.193 -4.248 206 1HE LYS 27 2HE LYS 27 -11.800 -8.006 -2.606 207 2HE LYS 27 3HE LYS 27 -13.497 -7.732 -2.175 208 1HZ LYS 27 1HZ LYS 27 -12.566 -8.599 -4.833 209 2HZ LYS 27 2HZ LYS 27 -13.214 -9.580 -3.682 210 3HZ LYS 27 3HZ LYS 27 -14.132 -8.404 -4.368 211 H LEU 28 HN LEU 28 -9.252 -3.047 -0.626 212 HA LEU 28 HA LEU 28 -10.104 -4.980 1.165 213 1HB LEU 28 2HB LEU 28 -7.707 -3.167 1.142 214 2HB LEU 28 3HB LEU 28 -7.938 -4.481 2.283 215 HG LEU 28 HG LEU 28 -6.642 -4.655 -0.188 216 1HD1 LEU 28 1HD1 LEU 28 -6.170 -5.860 1.873 217 2HD1 LEU 28 2HD1 LEU 28 -7.693 -6.768 1.672 218 3HD1 LEU 28 3HD1 LEU 28 -6.366 -6.966 0.493 219 1HD2 LEU 28 1HD2 LEU 28 -9.151 -6.354 -0.218 220 2HD2 LEU 28 2HD2 LEU 28 -8.782 -5.042 -1.366 221 3HD2 LEU 28 3HD2 LEU 28 -7.775 -6.488 -1.332 222 H GLN 29 HN GLN 29 -10.699 -4.933 3.196 223 HA GLN 29 HA GLN 29 -12.039 -2.823 4.418 224 1HB GLN 29 2HB GLN 29 -12.129 -4.237 6.383 225 2HB GLN 29 3HB GLN 29 -12.438 -5.123 4.888 226 1HG GLN 29 2HG GLN 29 -9.791 -5.556 5.028 227 2HG GLN 29 3HG GLN 29 -10.079 -5.264 6.737 228 1HE2 GLN 29 2HE2 GLN 29 -10.770 -7.064 7.933 229 2HE2 GLN 29 1HE2 GLN 29 -11.412 -8.526 7.201 230 H GLY 30 HN GLY 30 -11.139 -0.882 4.871 231 1HA GLY 30 1HA GLY 30 -10.051 0.216 6.799 232 2HA GLY 30 2HA GLY 30 -8.628 -0.799 6.533 233 H VAL 31 HN VAL 31 -9.187 -0.384 3.402 234 HA VAL 31 HA VAL 31 -7.369 1.890 3.291 235 HB VAL 31 HB VAL 31 -8.500 -0.198 1.406 236 1HG1 VAL 31 1HG1 VAL 31 -7.136 0.811 -0.397 237 2HG1 VAL 31 2HG1 VAL 31 -8.562 1.753 0.063 238 3HG1 VAL 31 3HG1 VAL 31 -6.937 2.271 0.603 239 1HG2 VAL 31 1HG2 VAL 31 -5.669 0.637 2.172 240 2HG2 VAL 31 2HG2 VAL 31 -6.553 -0.723 2.889 241 3HG2 VAL 31 3HG2 VAL 31 -6.140 -0.746 1.165 242 H GLN 32 HN GLN 32 -7.770 3.851 2.514 243 HA GLN 32 HA GLN 32 -10.553 4.530 1.726 244 1HB GLN 32 2HB GLN 32 -8.734 5.669 3.649 245 2HB GLN 32 3HB GLN 32 -9.407 6.901 2.568 246 1HG GLN 32 2HG GLN 32 -11.120 4.793 3.962 247 2HG GLN 32 3HG GLN 32 -10.685 6.305 4.726 248 1HE2 GLN 32 2HE2 GLN 32 -12.585 4.926 2.029 249 2HE2 GLN 32 1HE2 GLN 32 -13.452 6.413 1.695 250 H ARG 33 HN ARG 33 -7.063 5.169 0.989 251 HA ARG 33 HA ARG 33 -7.891 5.379 -1.795 252 1HB ARG 33 2HB ARG 33 -7.828 7.812 -0.497 253 2HB ARG 33 3HB ARG 33 -6.132 7.649 -0.943 254 1HG ARG 33 2HG ARG 33 -6.878 8.695 -2.829 255 2HG ARG 33 3HG ARG 33 -7.180 7.044 -3.347 256 1HD ARG 33 2HD ARG 33 -9.240 8.019 -3.845 257 2HD ARG 33 3HD ARG 33 -9.541 7.344 -2.259 258 HE ARG 33 HE ARG 33 -9.792 9.438 -1.375 259 1HH1 ARG 33 1HH2 ARG 33 -8.184 9.712 -4.493 260 2HH1 ARG 33 2HH2 ARG 33 -8.332 11.438 -4.629 261 1HH2 ARG 33 1HH1 ARG 33 -9.975 11.762 -1.476 262 2HH2 ARG 33 2HH1 ARG 33 -9.350 12.630 -2.839 263 H ILE 34 HN ILE 34 -5.909 5.520 -3.233 264 HA ILE 34 HA ILE 34 -3.412 4.630 -2.037 265 HB ILE 34 HB ILE 34 -4.651 2.581 -2.414 266 1HG1 ILE 34 2HG1 ILE 34 -2.757 2.656 -4.741 267 2HG1 ILE 34 3HG1 ILE 34 -2.109 2.999 -3.147 268 1HG2 ILE 34 1HG2 ILE 34 -5.463 1.887 -4.658 269 2HG2 ILE 34 2HG2 ILE 34 -6.263 3.363 -4.160 270 3HG2 ILE 34 3HG2 ILE 34 -4.945 3.428 -5.340 271 1HD1 ILE 34 1HD1 ILE 34 -3.668 0.472 -3.775 272 2HD1 ILE 34 2HD1 ILE 34 -1.899 0.599 -3.686 273 3HD1 ILE 34 3HD1 ILE 34 -2.897 0.894 -2.252 274 H LYS 35 HN LYS 35 -1.668 5.239 -3.242 275 HA LYS 35 HA LYS 35 -1.940 6.337 -5.993 276 1HB LYS 35 2HB LYS 35 -0.581 7.575 -3.568 277 2HB LYS 35 3HB LYS 35 -0.209 8.051 -5.222 278 1HG LYS 35 2HG LYS 35 -1.933 9.425 -5.361 279 2HG LYS 35 3HG LYS 35 -3.094 8.229 -4.787 280 1HD LYS 35 2HD LYS 35 -2.668 8.733 -2.489 281 2HD LYS 35 3HD LYS 35 -1.177 9.614 -2.878 282 1HE LYS 35 2HE LYS 35 -2.517 11.358 -4.070 283 2HE LYS 35 3HE LYS 35 -4.007 10.529 -3.588 284 1HZ LYS 35 1HZ LYS 35 -1.995 11.667 -1.747 285 2HZ LYS 35 2HZ LYS 35 -3.430 12.362 -2.132 286 3HZ LYS 35 3HZ LYS 35 -3.404 10.946 -1.294 287 H VAL 36 HN VAL 36 -0.899 4.451 -6.824 288 HA VAL 36 HA VAL 36 1.741 3.658 -5.675 289 HB VAL 36 HB VAL 36 -0.119 2.377 -7.688 290 1HG1 VAL 36 1HG1 VAL 36 2.164 1.920 -8.429 291 2HG1 VAL 36 2HG1 VAL 36 2.667 1.517 -6.775 292 3HG1 VAL 36 3HG1 VAL 36 1.520 0.470 -7.645 293 1HG2 VAL 36 1HG2 VAL 36 0.929 1.277 -5.051 294 2HG2 VAL 36 2HG2 VAL 36 -0.552 2.234 -5.137 295 3HG2 VAL 36 3HG2 VAL 36 -0.435 0.701 -6.020 296 H SER 37 HN SER 37 3.557 4.643 -6.465 297 HA SER 37 HA SER 37 3.401 5.901 -9.177 298 1HB SER 37 2HB SER 37 3.626 7.376 -7.178 299 2HB SER 37 3HB SER 37 5.198 6.618 -6.860 300 HG SER 37 HG SER 37 5.142 8.608 -8.218 301 H LEU 38 HN LEU 38 3.869 3.764 -10.107 302 HA LEU 38 HA LEU 38 6.041 2.199 -9.381 303 1HB LEU 38 2HB LEU 38 4.057 2.158 -11.397 304 2HB LEU 38 3HB LEU 38 5.550 2.150 -12.307 305 HG LEU 38 HG LEU 38 4.612 -0.061 -11.754 306 1HD1 LEU 38 1HD1 LEU 38 7.375 0.487 -10.566 307 2HD1 LEU 38 2HD1 LEU 38 6.762 -1.082 -11.078 308 3HD1 LEU 38 3HD1 LEU 38 7.008 0.194 -12.280 309 1HD2 LEU 38 1HD2 LEU 38 3.946 0.679 -9.333 310 2HD2 LEU 38 2HD2 LEU 38 4.401 -0.995 -9.675 311 3HD2 LEU 38 3HD2 LEU 38 5.566 0.093 -8.910 312 H ASP 39 HN ASP 39 6.031 4.952 -11.699 313 HA ASP 39 HA ASP 39 8.603 5.107 -12.563 314 1HB ASP 39 2HB ASP 39 7.092 7.362 -11.162 315 2HB ASP 39 3HB ASP 39 8.348 7.520 -12.375 316 H ASN 40 HN ASN 40 7.381 6.131 -9.348 317 HA ASN 40 HA ASN 40 10.006 6.948 -8.609 318 1HB ASN 40 2HB ASN 40 7.627 7.890 -7.797 319 2HB ASN 40 3HB ASN 40 7.842 6.703 -6.523 320 1HD2 ASN 40 2HD2 ASN 40 7.893 8.569 -5.011 321 2HD2 ASN 40 1HD2 ASN 40 9.356 9.529 -4.909 322 H GLN 41 HN GLN 41 8.115 4.120 -8.395 323 HA GLN 41 HA GLN 41 8.398 2.016 -7.698 324 1HB GLN 41 2HB GLN 41 11.038 2.728 -6.387 325 2HB GLN 41 3HB GLN 41 10.448 1.136 -6.910 326 1HG GLN 41 2HG GLN 41 10.363 1.989 -9.234 327 2HG GLN 41 3HG GLN 41 11.092 3.499 -8.681 328 1HE2 GLN 41 2HE2 GLN 41 12.357 1.962 -10.662 329 2HE2 GLN 41 1HE2 GLN 41 13.846 1.319 -9.989 330 H GLU 42 HN GLU 42 7.769 4.540 -6.036 331 HA GLU 42 HA GLU 42 7.352 3.193 -3.408 332 1HB GLU 42 2HB GLU 42 8.748 5.511 -3.729 333 2HB GLU 42 3HB GLU 42 7.130 6.177 -3.566 334 1HG GLU 42 2HG GLU 42 6.785 4.953 -1.443 335 2HG GLU 42 3HG GLU 42 8.370 4.187 -1.592 336 H ALA 43 HN ALA 43 5.314 3.454 -2.413 337 HA ALA 43 HA ALA 43 3.107 4.592 -4.066 338 1HB ALA 43 1HB ALA 43 3.141 1.888 -2.708 339 2HB ALA 43 2HB ALA 43 1.707 2.674 -3.406 340 3HB ALA 43 3HB ALA 43 3.071 2.192 -4.451 341 H THR 44 HN THR 44 1.242 5.157 -2.722 342 HA THR 44 HA THR 44 1.794 5.507 0.151 343 HB THR 44 HB THR 44 1.206 7.574 -1.949 344 HG1 THR 44 1HG THR 44 2.491 7.556 0.572 345 1HG2 THR 44 1HG2 THR 44 -0.032 7.632 0.827 346 2HG2 THR 44 2HG2 THR 44 0.281 9.092 -0.141 347 3HG2 THR 44 3HG2 THR 44 -0.843 7.863 -0.734 348 H ILE 45 HN ILE 45 0.154 4.359 1.196 349 HA ILE 45 HA ILE 45 -2.525 4.402 -0.090 350 HB ILE 45 HB ILE 45 -1.477 2.558 2.039 351 1HG1 ILE 45 2HG1 ILE 45 -1.670 2.197 -0.959 352 2HG1 ILE 45 3HG1 ILE 45 -0.169 2.252 -0.024 353 1HG2 ILE 45 1HG2 ILE 45 -3.468 1.249 1.636 354 2HG2 ILE 45 2HG2 ILE 45 -4.056 2.874 1.816 355 3HG2 ILE 45 3HG2 ILE 45 -3.887 2.202 0.192 356 1HD1 ILE 45 1HD1 ILE 45 -2.273 0.122 0.286 357 2HD1 ILE 45 2HD1 ILE 45 -0.706 -0.024 -0.480 358 3HD1 ILE 45 3HD1 ILE 45 -0.782 0.361 1.266 359 H VAL 46 HN VAL 46 -4.331 4.906 1.396 360 HA VAL 46 HA VAL 46 -3.544 6.231 3.903 361 HB VAL 46 HB VAL 46 -4.061 7.819 2.169 362 1HG1 VAL 46 1HG1 VAL 46 -6.862 6.885 2.578 363 2HG1 VAL 46 2HG1 VAL 46 -6.349 8.330 1.659 364 3HG1 VAL 46 3HG1 VAL 46 -5.790 6.712 1.155 365 1HG2 VAL 46 1HG2 VAL 46 -4.770 9.350 3.712 366 2HG2 VAL 46 2HG2 VAL 46 -6.076 8.327 4.311 367 3HG2 VAL 46 3HG2 VAL 46 -4.408 8.041 4.846 368 H TYR 47 HN TYR 47 -4.215 5.053 5.603 369 HA TYR 47 HA TYR 47 -6.802 3.712 5.648 370 1HB TYR 47 2HB TYR 47 -5.904 1.441 5.815 371 2HB TYR 47 3HB TYR 47 -5.408 2.148 4.290 372 HD1 TYR 47 1HD TYR 47 -4.228 0.932 7.573 373 HD2 TYR 47 2HD TYR 47 -3.042 2.763 3.873 374 HE1 TYR 47 1HE TYR 47 -2.098 -0.318 7.642 375 HE2 TYR 47 2HE TYR 47 -0.884 1.527 3.967 376 HH TYR 47 HH TYR 47 -0.117 -0.842 6.502 377 H GLN 48 HN GLN 48 -6.781 2.185 7.861 378 HA GLN 48 HA GLN 48 -5.083 3.444 9.864 379 1HB GLN 48 2HB GLN 48 -7.244 3.287 11.270 380 2HB GLN 48 3HB GLN 48 -6.972 4.727 10.259 381 1HG GLN 48 2HG GLN 48 -8.428 3.875 8.581 382 2HG GLN 48 3HG GLN 48 -8.460 2.266 9.344 383 1HE2 GLN 48 2HE2 GLN 48 -10.912 2.637 9.120 384 2HE2 GLN 48 1HE2 GLN 48 -11.678 3.479 10.456 385 HA PRO 49 HA PRO 49 -4.576 -0.633 11.537 386 1HB PRO 49 2HB PRO 49 -3.670 -0.040 14.052 387 2HB PRO 49 3HB PRO 49 -2.708 0.256 12.602 388 1HG PRO 49 2HG PRO 49 -4.417 2.256 14.076 389 2HG PRO 49 3HG PRO 49 -2.714 2.434 13.561 390 1HD PRO 49 2HD PRO 49 -4.763 3.428 12.092 391 2HD PRO 49 3HD PRO 49 -3.338 2.697 11.291 392 H HIS 50 HN HIS 50 -7.024 -0.580 11.272 393 HA HIS 50 HA HIS 50 -8.163 -1.440 13.876 394 1HB HIS 50 2HB HIS 50 -9.163 0.877 12.264 395 2HB HIS 50 3HB HIS 50 -10.385 -0.328 12.668 396 HD1 HIS 50 1HD HIS 50 -7.554 0.749 15.065 397 HD2 HIS 50 2HD HIS 50 -11.735 0.755 14.586 398 HE1 HIS 50 1HE HIS 50 -8.550 1.519 17.294 399 H LEU 51 HN LEU 51 -8.917 -1.080 10.376 400 HA LEU 51 HA LEU 51 -10.180 -3.748 10.423 401 1HB LEU 51 2HB LEU 51 -9.929 -1.574 8.357 402 2HB LEU 51 3HB LEU 51 -10.651 -3.151 8.002 403 HG LEU 51 HG LEU 51 -11.656 -1.474 10.320 404 1HD1 LEU 51 1HD1 LEU 51 -11.811 -0.023 8.363 405 2HD1 LEU 51 2HD1 LEU 51 -12.567 -1.325 7.415 406 3HD1 LEU 51 3HD1 LEU 51 -13.421 -0.609 8.798 407 1HD2 LEU 51 1HD2 LEU 51 -12.995 -3.585 8.564 408 2HD2 LEU 51 2HD2 LEU 51 -12.393 -3.859 10.210 409 3HD2 LEU 51 3HD2 LEU 51 -13.734 -2.744 9.937 410 H ILE 52 HN ILE 52 -7.014 -2.330 9.615 411 HA ILE 52 HA ILE 52 -6.247 -4.872 8.348 412 HB ILE 52 HB ILE 52 -6.372 -2.922 6.851 413 1HG1 ILE 52 2HG1 ILE 52 -4.051 -3.203 5.988 414 2HG1 ILE 52 3HG1 ILE 52 -3.602 -4.157 7.371 415 1HG2 ILE 52 1HG2 ILE 52 -4.081 -1.875 8.510 416 2HG2 ILE 52 2HG2 ILE 52 -4.743 -1.219 6.986 417 3HG2 ILE 52 3HG2 ILE 52 -5.741 -1.231 8.451 418 1HD1 ILE 52 1HD1 ILE 52 -6.046 -4.811 5.682 419 2HD1 ILE 52 2HD1 ILE 52 -4.427 -5.357 5.204 420 3HD1 ILE 52 3HD1 ILE 52 -5.129 -5.893 6.761 421 H SER 53 HN SER 53 -4.204 -5.691 8.937 422 HA SER 53 HA SER 53 -3.549 -5.146 11.700 423 1HB SER 53 2HB SER 53 -2.321 -7.077 9.832 424 2HB SER 53 3HB SER 53 -2.276 -7.132 11.599 425 HG SER 53 HG SER 53 -3.923 -8.538 10.772 426 H VAL 54 HN VAL 54 -2.872 -3.169 9.763 427 HA VAL 54 HA VAL 54 -1.385 -1.548 9.439 428 HB VAL 54 HB VAL 54 -0.780 -2.517 11.983 429 1HG1 VAL 54 1HG1 VAL 54 1.641 -2.030 12.202 430 2HG1 VAL 54 2HG1 VAL 54 1.340 -3.511 11.281 431 3HG1 VAL 54 3HG1 VAL 54 1.773 -2.002 10.429 432 1HG2 VAL 54 1HG2 VAL 54 -1.347 -0.202 11.076 433 2HG2 VAL 54 2HG2 VAL 54 -0.175 -0.290 12.415 434 3HG2 VAL 54 3HG2 VAL 54 0.379 -0.040 10.754 435 H GLU 55 HN GLU 55 0.412 -4.533 9.675 436 HA GLU 55 HA GLU 55 2.164 -3.842 7.444 437 1HB GLU 55 2HB GLU 55 2.352 -5.478 9.715 438 2HB GLU 55 3HB GLU 55 2.161 -6.618 8.386 439 1HG GLU 55 2HG GLU 55 4.050 -5.463 7.188 440 2HG GLU 55 3HG GLU 55 4.201 -4.345 8.558 441 H GLU 56 HN GLU 56 -0.654 -5.918 8.107 442 HA GLU 56 HA GLU 56 -0.602 -7.699 6.054 443 1HB GLU 56 2HB GLU 56 -2.775 -6.350 7.591 444 2HB GLU 56 3HB GLU 56 -3.263 -7.044 6.044 445 1HG GLU 56 2HG GLU 56 -1.779 -8.641 8.120 446 2HG GLU 56 3HG GLU 56 -3.540 -8.639 7.910 447 H MET 57 HN MET 57 -1.901 -4.344 5.780 448 HA MET 57 HA MET 57 -2.806 -4.309 3.287 449 1HB MET 57 2HB MET 57 -1.942 -2.427 5.243 450 2HB MET 57 3HB MET 57 -1.145 -1.949 3.742 451 1HG MET 57 2HG MET 57 -4.149 -2.376 4.117 452 2HG MET 57 3HG MET 57 -3.257 -0.895 4.027 453 1HE MET 57 1HE MET 57 -5.241 -3.261 0.798 454 2HE MET 57 2HE MET 57 -4.487 -4.172 2.085 455 3HE MET 57 3HE MET 57 -5.682 -2.921 2.475 456 H LYS 58 HN LYS 58 0.648 -3.995 4.150 457 HA LYS 58 HA LYS 58 1.445 -3.842 1.330 458 1HB LYS 58 2HB LYS 58 2.600 -3.067 3.775 459 2HB LYS 58 3HB LYS 58 3.559 -4.486 3.330 460 1HG LYS 58 2HG LYS 58 2.923 -2.129 1.540 461 2HG LYS 58 3HG LYS 58 4.426 -2.269 2.437 462 1HD LYS 58 2HD LYS 58 5.184 -4.157 1.215 463 2HD LYS 58 3HD LYS 58 3.605 -4.474 0.539 464 1HE LYS 58 2HE LYS 58 4.162 -1.848 -0.327 465 2HE LYS 58 3HE LYS 58 5.673 -2.696 -0.465 466 1HZ LYS 58 1HZ LYS 58 3.053 -3.386 -1.612 467 2HZ LYS 58 2HZ LYS 58 4.402 -2.931 -2.442 468 3HZ LYS 58 3HZ LYS 58 4.344 -4.398 -1.702 469 H LYS 59 HN LYS 59 1.509 -6.264 3.969 470 HA LYS 59 HA LYS 59 2.986 -8.161 2.508 471 1HB LYS 59 2HB LYS 59 0.869 -8.663 4.647 472 2HB LYS 59 3HB LYS 59 2.055 -9.832 4.077 473 1HG LYS 59 2HG LYS 59 2.626 -7.293 5.664 474 2HG LYS 59 3HG LYS 59 2.922 -8.973 6.108 475 1HD LYS 59 2HD LYS 59 4.440 -9.026 3.972 476 2HD LYS 59 3HD LYS 59 4.355 -7.247 4.036 477 1HE LYS 59 2HE LYS 59 5.512 -7.135 6.063 478 2HE LYS 59 3HE LYS 59 5.274 -8.855 6.442 479 1HZ LYS 59 1HZ LYS 59 6.733 -8.041 4.033 480 2HZ LYS 59 2HZ LYS 59 7.511 -8.171 5.508 481 3HZ LYS 59 3HZ LYS 59 6.760 -9.459 4.789 482 H GLN 60 HN GLN 60 -0.387 -7.327 2.094 483 HA GLN 60 HA GLN 60 -1.175 -9.662 0.629 484 1HB GLN 60 2HB GLN 60 -2.061 -6.775 0.426 485 2HB GLN 60 3HB GLN 60 -2.906 -8.152 -0.256 486 1HG GLN 60 2HG GLN 60 -2.294 -8.484 2.623 487 2HG GLN 60 3HG GLN 60 -3.203 -7.006 2.305 488 1HE2 GLN 60 2HE2 GLN 60 -4.115 -9.242 3.904 489 2HE2 GLN 60 1HE2 GLN 60 -5.548 -9.847 3.080 490 H ILE 61 HN ILE 61 0.121 -6.514 -0.258 491 HA ILE 61 HA ILE 61 0.358 -7.012 -3.088 492 HB ILE 61 HB ILE 61 1.746 -5.017 -1.356 493 1HG1 ILE 61 2HG1 ILE 61 0.315 -3.592 -3.202 494 2HG1 ILE 61 3HG1 ILE 61 -0.694 -5.029 -3.160 495 1HG2 ILE 61 1HG2 ILE 61 1.839 -5.453 -4.396 496 2HG2 ILE 61 2HG2 ILE 61 2.407 -3.971 -3.624 497 3HG2 ILE 61 3HG2 ILE 61 3.241 -5.494 -3.309 498 1HD1 ILE 61 1HD1 ILE 61 0.218 -3.488 -0.692 499 2HD1 ILE 61 2HD1 ILE 61 -1.295 -3.166 -1.543 500 3HD1 ILE 61 3HD1 ILE 61 -1.033 -4.762 -0.806 501 H GLU 62 HN GLU 62 2.627 -7.554 -0.353 502 HA GLU 62 HA GLU 62 4.904 -8.302 -1.924 503 1HB GLU 62 2HB GLU 62 4.071 -9.202 0.847 504 2HB GLU 62 3HB GLU 62 5.627 -9.534 0.086 505 1HG GLU 62 2HG GLU 62 6.107 -7.181 -0.178 506 2HG GLU 62 3HG GLU 62 4.523 -6.709 0.450 507 H ALA 63 HN ALA 63 2.300 -10.202 -0.419 508 HA ALA 63 HA ALA 63 2.874 -12.744 -1.402 509 1HB ALA 63 1HB ALA 63 1.388 -12.235 0.487 510 2HB ALA 63 2HB ALA 63 0.190 -11.551 -0.622 511 3HB ALA 63 3HB ALA 63 0.585 -13.280 -0.706 512 H MET 64 HN MET 64 1.148 -10.110 -3.129 513 HA MET 64 HA MET 64 -0.055 -11.610 -5.179 514 1HB MET 64 2HB MET 64 1.462 -8.980 -5.419 515 2HB MET 64 3HB MET 64 0.449 -9.668 -6.664 516 1HG MET 64 2HG MET 64 -0.592 -8.972 -3.915 517 2HG MET 64 3HG MET 64 -0.635 -7.862 -5.273 518 1HE MET 64 1HE MET 64 -3.336 -9.376 -7.582 519 2HE MET 64 2HE MET 64 -2.242 -8.009 -7.266 520 3HE MET 64 3HE MET 64 -1.580 -9.593 -7.748 521 H GLY 65 HN GLY 65 3.367 -11.003 -4.568 522 1HA GLY 65 1HA GLY 65 4.751 -12.924 -5.243 523 2HA GLY 65 2HA GLY 65 4.084 -12.806 -6.876 524 H PHE 66 HN PHE 66 5.249 -10.243 -4.625 525 HA PHE 66 HA PHE 66 7.487 -9.606 -6.467 526 1HB PHE 66 2HB PHE 66 5.181 -7.751 -5.814 527 2HB PHE 66 3HB PHE 66 6.753 -7.180 -6.361 528 HD1 PHE 66 1HD PHE 66 7.731 -8.201 -8.525 529 HD2 PHE 66 2HD PHE 66 3.581 -8.576 -7.478 530 HE1 PHE 66 1HE PHE 66 7.180 -8.474 -10.897 531 HE2 PHE 66 2HE PHE 66 3.013 -8.875 -9.872 532 HZ PHE 66 HZ PHE 66 4.802 -8.764 -11.606 533 HA PRO 67 HA PRO 67 8.767 -9.233 -2.130 534 1HB PRO 67 2HB PRO 67 11.430 -8.679 -2.437 535 2HB PRO 67 3HB PRO 67 10.732 -10.295 -2.746 536 1HG PRO 67 2HG PRO 67 11.346 -8.127 -4.775 537 2HG PRO 67 3HG PRO 67 11.792 -9.854 -4.858 538 1HD PRO 67 2HD PRO 67 9.596 -8.845 -6.122 539 2HD PRO 67 3HD PRO 67 9.563 -10.482 -5.396 540 H ALA 68 HN ALA 68 7.685 -7.420 -1.374 541 HA ALA 68 HA ALA 68 8.821 -4.734 -2.042 542 1HB ALA 68 1HB ALA 68 5.929 -5.563 -1.624 543 2HB ALA 68 2HB ALA 68 6.549 -3.964 -2.118 544 3HB ALA 68 3HB ALA 68 6.697 -5.344 -3.204 545 H PHE 69 HN PHE 69 7.566 -3.192 -0.176 546 HA PHE 69 HA PHE 69 7.831 -4.401 2.438 547 1HB PHE 69 2HB PHE 69 10.195 -3.360 1.108 548 2HB PHE 69 3HB PHE 69 9.801 -2.274 2.418 549 HD1 PHE 69 1HD PHE 69 10.948 -5.652 1.537 550 HD2 PHE 69 2HD PHE 69 9.799 -3.056 4.793 551 HE1 PHE 69 1HE PHE 69 12.050 -7.174 3.144 552 HE2 PHE 69 2HE PHE 69 10.892 -4.594 6.394 553 HZ PHE 69 HZ PHE 69 12.036 -6.648 5.576 554 H VAL 70 HN VAL 70 7.154 -3.214 4.109 555 HA VAL 70 HA VAL 70 5.803 -0.629 3.576 556 HB VAL 70 HB VAL 70 4.762 -2.805 4.685 557 1HG1 VAL 70 1HG1 VAL 70 5.817 -1.215 7.012 558 2HG1 VAL 70 2HG1 VAL 70 4.709 -2.603 7.089 559 3HG1 VAL 70 3HG1 VAL 70 6.384 -2.836 6.521 560 1HG2 VAL 70 1HG2 VAL 70 3.061 -1.410 5.660 561 2HG2 VAL 70 2HG2 VAL 70 4.169 -0.036 5.757 562 3HG2 VAL 70 3HG2 VAL 70 3.598 -0.618 4.172 563 H LYS 71 HN LYS 71 6.585 1.218 4.406 564 HA LYS 71 HA LYS 71 9.105 1.158 5.939 565 1HB LYS 71 2HB LYS 71 7.421 3.550 5.106 566 2HB LYS 71 3HB LYS 71 8.973 3.582 5.954 567 1HG LYS 71 2HG LYS 71 9.710 1.995 3.907 568 2HG LYS 71 3HG LYS 71 8.386 2.831 3.091 569 1HD LYS 71 2HD LYS 71 10.740 4.161 4.533 570 2HD LYS 71 3HD LYS 71 10.665 3.859 2.789 571 1HE LYS 71 2HE LYS 71 8.714 5.304 2.548 572 2HE LYS 71 3HE LYS 71 8.659 5.606 4.298 573 1HZ LYS 71 1HZ LYS 71 10.808 6.373 2.435 574 2HZ LYS 71 2HZ LYS 71 9.715 7.381 3.114 575 3HZ LYS 71 3HZ LYS 71 10.837 6.646 4.071 576 H LYS 72 HN LYS 72 6.186 3.125 6.832 577 HA LYS 72 HA LYS 72 5.908 1.683 9.301 578 1HB LYS 72 2HB LYS 72 7.930 3.534 9.464 579 2HB LYS 72 3HB LYS 72 6.550 4.585 9.762 580 1HG LYS 72 2HG LYS 72 7.248 3.900 11.888 581 2HG LYS 72 3HG LYS 72 5.847 2.862 11.571 582 1HD LYS 72 2HD LYS 72 7.533 1.098 10.706 583 2HD LYS 72 3HD LYS 72 8.819 2.129 11.303 584 1HE LYS 72 2HE LYS 72 6.568 0.853 12.952 585 2HE LYS 72 3HE LYS 72 8.235 0.277 12.853 586 1HZ LYS 72 1HZ LYS 72 7.388 2.859 13.991 587 2HZ LYS 72 2HZ LYS 72 7.882 1.539 14.830 588 3HZ LYS 72 3HZ LYS 72 8.949 2.339 13.869 589 H ILE 73 HN ILE 73 3.956 2.134 10.310 590 HA ILE 73 HA ILE 73 2.077 4.063 9.125 591 HB ILE 73 HB ILE 73 1.593 2.336 7.717 592 1HG1 ILE 73 2HG1 ILE 73 -0.409 1.069 8.660 593 2HG1 ILE 73 3HG1 ILE 73 -0.230 2.022 10.122 594 1HG2 ILE 73 1HG2 ILE 73 1.529 -0.073 8.396 595 2HG2 ILE 73 2HG2 ILE 73 3.101 0.717 8.324 596 3HG2 ILE 73 3HG2 ILE 73 2.348 0.433 9.898 597 1HD1 ILE 73 1HD1 ILE 73 -0.798 3.001 7.306 598 2HD1 ILE 73 2HD1 ILE 73 -1.820 3.137 8.746 599 3HD1 ILE 73 3HD1 ILE 73 -0.321 4.086 8.624 600 H GLU 74 HN GLU 74 1.102 5.043 10.962 601 HA GLU 74 HA GLU 74 0.065 3.401 13.022 602 1HB GLU 74 2HB GLU 74 2.683 4.697 13.497 603 2HB GLU 74 3HB GLU 74 1.471 5.384 14.577 604 1HG GLU 74 2HG GLU 74 1.919 2.383 14.319 605 2HG GLU 74 3HG GLU 74 2.737 3.417 15.498 606 H GLY 75 HN GLY 75 -1.332 4.647 14.452 607 1HA GLY 75 1HA GLY 75 -2.304 7.216 13.213 608 2HA GLY 75 2HA GLY 75 -3.367 5.798 13.287 609 H ARG 76 HN ARG 76 -2.429 8.646 14.943 610 HA ARG 76 HA ARG 76 -4.187 8.149 17.053 611 1HB ARG 76 2HB ARG 76 -1.759 7.015 17.623 612 2HB ARG 76 3HB ARG 76 -1.372 8.673 18.061 613 1HG ARG 76 2HG ARG 76 -3.921 7.385 19.106 614 2HG ARG 76 3HG ARG 76 -2.388 6.848 19.774 615 1HD ARG 76 2HD ARG 76 -3.173 9.777 19.670 616 2HD ARG 76 3HD ARG 76 -3.577 8.715 21.029 617 HE ARG 76 HE ARG 76 -0.843 8.366 20.585 618 1HH1 ARG 76 1HH2 ARG 76 -2.889 11.122 21.279 619 2HH1 ARG 76 2HH2 ARG 76 -1.831 11.865 22.442 620 1HH2 ARG 76 1HH1 ARG 76 0.624 9.283 22.135 621 2HH2 ARG 76 2HH1 ARG 76 0.257 10.791 22.907 Start of MODEL 21 1 1H GLY 1 1H GLY 1 -6.855 8.552 13.423 2 2H GLY 1 2H GLY 1 -8.367 8.669 14.130 3 3H GLY 1 3H GLY 1 -7.808 7.236 13.472 4 1HA GLY 1 1HA GLY 1 -9.308 8.152 11.908 5 2HA GLY 1 2HA GLY 1 -8.407 9.690 11.964 6 H GLU 2 HN GLU 2 -8.688 8.239 9.518 7 HA GLU 2 HA GLU 2 -6.831 6.276 8.938 8 1HB GLU 2 2HB GLU 2 -7.297 6.792 6.656 9 2HB GLU 2 3HB GLU 2 -8.763 6.914 7.606 10 1HG GLU 2 2HG GLU 2 -8.448 9.434 7.730 11 2HG GLU 2 3HG GLU 2 -7.098 9.263 6.603 12 H VAL 3 HN VAL 3 -4.693 6.173 8.312 13 HA VAL 3 HA VAL 3 -3.049 8.643 8.674 14 HB VAL 3 HB VAL 3 -2.444 5.698 9.159 15 1HG1 VAL 3 1HG1 VAL 3 -0.428 6.818 8.348 16 2HG1 VAL 3 2HG1 VAL 3 -0.683 8.167 9.485 17 3HG1 VAL 3 3HG1 VAL 3 -0.295 6.539 10.074 18 1HG2 VAL 3 1HG2 VAL 3 -2.247 6.314 11.503 19 2HG2 VAL 3 2HG2 VAL 3 -2.703 7.998 11.131 20 3HG2 VAL 3 3HG2 VAL 3 -3.873 6.675 10.919 21 H VAL 4 HN VAL 4 -1.958 9.304 6.865 22 HA VAL 4 HA VAL 4 -1.857 7.732 4.448 23 HB VAL 4 HB VAL 4 -0.692 10.422 5.296 24 1HG1 VAL 4 1HG1 VAL 4 -0.966 9.102 2.581 25 2HG1 VAL 4 2HG1 VAL 4 -0.443 10.784 2.861 26 3HG1 VAL 4 3HG1 VAL 4 0.557 9.443 3.444 27 1HG2 VAL 4 1HG2 VAL 4 -2.516 11.392 3.948 28 2HG2 VAL 4 2HG2 VAL 4 -3.166 9.775 3.630 29 3HG2 VAL 4 3HG2 VAL 4 -3.185 10.440 5.278 30 H LEU 5 HN LEU 5 -0.233 6.216 4.160 31 HA LEU 5 HA LEU 5 2.359 6.484 5.648 32 1HB LEU 5 2HB LEU 5 2.185 4.615 6.536 33 2HB LEU 5 3HB LEU 5 0.475 4.845 6.372 34 HG LEU 5 HG LEU 5 1.010 2.577 5.843 35 1HD1 LEU 5 1HD1 LEU 5 -0.780 3.479 4.544 36 2HD1 LEU 5 2HD1 LEU 5 0.338 4.074 3.312 37 3HD1 LEU 5 3HD1 LEU 5 0.196 2.341 3.572 38 1HD2 LEU 5 1HD2 LEU 5 2.764 1.838 4.621 39 2HD2 LEU 5 2HD2 LEU 5 2.674 3.178 3.479 40 3HD2 LEU 5 3HD2 LEU 5 3.433 3.420 5.077 41 H LYS 6 HN LYS 6 4.199 5.533 4.522 42 HA LYS 6 HA LYS 6 3.910 5.722 1.558 43 1HB LYS 6 2HB LYS 6 5.541 7.248 2.950 44 2HB LYS 6 3HB LYS 6 6.530 5.791 3.007 45 1HG LYS 6 2HG LYS 6 7.348 6.655 1.048 46 2HG LYS 6 3HG LYS 6 6.037 5.738 0.370 47 1HD LYS 6 2HD LYS 6 5.195 7.598 -0.543 48 2HD LYS 6 3HD LYS 6 4.877 8.274 1.051 49 1HE LYS 6 2HE LYS 6 7.407 8.569 -0.646 50 2HE LYS 6 3HE LYS 6 6.224 9.833 -0.278 51 1HZ LYS 6 1HZ LYS 6 8.004 8.508 1.650 52 2HZ LYS 6 2HZ LYS 6 8.176 10.032 1.067 53 3HZ LYS 6 3HZ LYS 6 6.895 9.666 2.038 54 H MET 7 HN MET 7 4.071 3.868 0.423 55 HA MET 7 HA MET 7 5.295 1.412 1.641 56 1HB MET 7 2HB MET 7 3.103 1.816 -0.432 57 2HB MET 7 3HB MET 7 3.942 0.272 -0.223 58 1HG MET 7 2HG MET 7 2.196 1.678 1.820 59 2HG MET 7 3HG MET 7 1.792 0.283 0.814 60 1HE MET 7 1HE MET 7 0.859 -1.101 2.798 61 2HE MET 7 2HE MET 7 1.735 -1.266 4.340 62 3HE MET 7 3HE MET 7 1.193 0.326 3.801 63 H LYS 8 HN LYS 8 6.481 0.119 0.195 64 HA LYS 8 HA LYS 8 7.651 1.473 -2.197 65 1HB LYS 8 2HB LYS 8 8.900 0.191 0.091 66 2HB LYS 8 3HB LYS 8 9.211 -0.798 -1.335 67 1HG LYS 8 2HG LYS 8 9.746 2.181 -1.070 68 2HG LYS 8 3HG LYS 8 10.939 0.893 -0.860 69 1HD LYS 8 2HD LYS 8 9.931 0.264 -3.370 70 2HD LYS 8 3HD LYS 8 9.783 2.028 -3.367 71 1HE LYS 8 2HE LYS 8 12.188 2.229 -2.750 72 2HE LYS 8 3HE LYS 8 12.344 0.458 -2.746 73 1HZ LYS 8 1HZ LYS 8 11.698 2.061 -5.138 74 2HZ LYS 8 2HZ LYS 8 13.153 1.423 -4.797 75 3HZ LYS 8 3HZ LYS 8 11.954 0.430 -5.111 76 H VAL 9 HN VAL 9 7.087 0.454 -4.076 77 HA VAL 9 HA VAL 9 5.850 -2.280 -3.920 78 HB VAL 9 HB VAL 9 5.116 0.065 -5.721 79 1HG1 VAL 9 1HG1 VAL 9 4.012 -2.775 -5.499 80 2HG1 VAL 9 2HG1 VAL 9 3.222 -1.456 -6.383 81 3HG1 VAL 9 3HG1 VAL 9 4.796 -2.038 -6.917 82 1HG2 VAL 9 1HG2 VAL 9 4.293 0.381 -3.424 83 2HG2 VAL 9 2HG2 VAL 9 2.943 -0.085 -4.468 84 3HG2 VAL 9 3HG2 VAL 9 3.675 -1.281 -3.384 85 H GLU 10 HN GLU 10 8.088 -2.921 -3.994 86 HA GLU 10 HA GLU 10 9.684 -2.165 -6.272 87 1HB GLU 10 2HB GLU 10 10.058 -3.715 -3.738 88 2HB GLU 10 3HB GLU 10 10.942 -4.394 -5.096 89 1HG GLU 10 2HG GLU 10 11.127 -1.554 -4.080 90 2HG GLU 10 3HG GLU 10 12.356 -2.821 -3.929 91 H GLY 11 HN GLY 11 10.866 -3.914 -7.486 92 1HA GLY 11 1HA GLY 11 10.888 -5.786 -8.850 93 2HA GLY 11 2HA GLY 11 9.506 -6.426 -7.960 94 H MET 12 HN MET 12 7.591 -4.373 -8.561 95 HA MET 12 HA MET 12 6.615 -5.054 -11.147 96 1HB MET 12 2HB MET 12 5.975 -2.703 -9.313 97 2HB MET 12 3HB MET 12 5.176 -3.011 -10.854 98 1HG MET 12 2HG MET 12 3.706 -3.893 -9.380 99 2HG MET 12 3HG MET 12 4.560 -5.339 -9.927 100 1HE MET 12 1HE MET 12 3.350 -5.864 -6.177 101 2HE MET 12 2HE MET 12 2.584 -4.689 -7.274 102 3HE MET 12 3HE MET 12 3.058 -6.292 -7.879 103 H THR 13 HN THR 13 8.573 -4.815 -12.381 104 HA THR 13 HA THR 13 9.626 -2.170 -12.992 105 HB THR 13 HB THR 13 10.939 -3.856 -14.632 106 HG1 THR 13 1HG THR 13 10.180 -5.579 -12.499 107 1HG2 THR 13 1HG2 THR 13 11.289 -3.761 -11.600 108 2HG2 THR 13 2HG2 THR 13 12.509 -4.316 -12.768 109 3HG2 THR 13 3HG2 THR 13 11.976 -2.625 -12.780 110 H CYS 14 HN CYS 14 7.602 -4.620 -14.624 111 HA CYS 14 HA CYS 14 7.594 -3.341 -17.180 112 1HB CYS 14 2HB CYS 14 5.673 -4.695 -17.707 113 2HB CYS 14 3HB CYS 14 6.805 -5.695 -16.774 114 HG CYS 14 HG CYS 14 4.331 -6.256 -16.129 115 H HIS 15 HN HIS 15 6.429 -1.645 -17.974 116 HA HIS 15 HA HIS 15 5.648 0.197 -15.972 117 1HB HIS 15 2HB HIS 15 5.679 1.842 -17.616 118 2HB HIS 15 3HB HIS 15 7.004 0.738 -17.962 119 HD1 HIS 15 1HD HIS 15 5.441 2.753 -20.046 120 HD2 HIS 15 2HD HIS 15 4.971 -1.411 -19.642 121 HE1 HIS 15 1HE HIS 15 4.495 1.897 -22.258 122 H SER 16 HN SER 16 3.744 -1.770 -15.738 123 HA SER 16 HA SER 16 1.397 -0.218 -15.561 124 1HB SER 16 2HB SER 16 1.184 -0.499 -17.958 125 2HB SER 16 3HB SER 16 1.361 -2.266 -17.789 126 HG SER 16 HG SER 16 -0.827 -1.775 -17.906 127 H CYS 17 HN CYS 17 1.837 -1.057 -13.457 128 HA CYS 17 HA CYS 17 0.309 -3.443 -12.922 129 1HB CYS 17 2HB CYS 17 2.815 -4.156 -13.463 130 2HB CYS 17 3HB CYS 17 3.127 -3.661 -11.811 131 HG CYS 17 HG CYS 17 2.750 -6.250 -11.983 132 H THR 18 HN THR 18 -0.424 -1.085 -12.357 133 HA THR 18 HA THR 18 0.190 -0.578 -9.488 134 HB THR 18 HB THR 18 0.027 1.884 -10.146 135 HG1 THR 18 1HG THR 18 0.143 2.352 -12.343 136 1HG2 THR 18 1HG2 THR 18 2.180 0.417 -11.723 137 2HG2 THR 18 2HG2 THR 18 2.273 2.051 -11.025 138 3HG2 THR 18 3HG2 THR 18 2.257 0.623 -9.971 139 H SER 19 HN SER 19 -1.921 0.861 -11.958 140 HA SER 19 HA SER 19 -4.017 1.315 -10.279 141 1HB SER 19 2HB SER 19 -3.839 2.274 -12.541 142 2HB SER 19 3HB SER 19 -4.272 0.700 -13.255 143 HG SER 19 HG SER 19 -6.037 2.248 -13.008 144 H THR 20 HN THR 20 -3.648 -1.714 -11.976 145 HA THR 20 HA THR 20 -5.813 -3.105 -10.993 146 HB THR 20 HB THR 20 -2.847 -3.867 -11.222 147 HG1 THR 20 1HG THR 20 -3.583 -4.616 -13.261 148 1HG2 THR 20 1HG2 THR 20 -5.363 -5.542 -10.995 149 2HG2 THR 20 2HG2 THR 20 -3.770 -6.186 -11.499 150 3HG2 THR 20 3HG2 THR 20 -3.982 -5.505 -9.871 151 H ILE 21 HN ILE 21 -2.705 -2.588 -9.246 152 HA ILE 21 HA ILE 21 -3.508 -3.938 -6.845 153 HB ILE 21 HB ILE 21 -1.231 -2.117 -7.707 154 1HG1 ILE 21 2HG1 ILE 21 0.001 -4.212 -6.740 155 2HG1 ILE 21 3HG1 ILE 21 -1.542 -5.040 -6.948 156 1HG2 ILE 21 1HG2 ILE 21 -1.526 -3.085 -4.882 157 2HG2 ILE 21 2HG2 ILE 21 -0.158 -2.227 -5.657 158 3HG2 ILE 21 3HG2 ILE 21 -1.691 -1.393 -5.438 159 1HD1 ILE 21 1HD1 ILE 21 0.042 -3.529 -9.049 160 2HD1 ILE 21 2HD1 ILE 21 0.020 -5.293 -8.875 161 3HD1 ILE 21 3HD1 ILE 21 -1.449 -4.438 -9.384 162 H GLU 22 HN GLU 22 -3.485 -0.510 -7.927 163 HA GLU 22 HA GLU 22 -4.230 0.628 -5.465 164 1HB GLU 22 2HB GLU 22 -4.783 1.597 -8.302 165 2HB GLU 22 3HB GLU 22 -4.918 2.596 -6.868 166 1HG GLU 22 2HG GLU 22 -2.574 2.398 -6.385 167 2HG GLU 22 3HG GLU 22 -2.310 1.188 -7.622 168 H GLY 23 HN GLY 23 -6.315 0.135 -8.264 169 1HA GLY 23 1HA GLY 23 -8.855 0.468 -7.196 170 2HA GLY 23 2HA GLY 23 -8.473 -0.638 -8.526 171 H LYS 24 HN LYS 24 -7.054 -2.691 -7.395 172 HA LYS 24 HA LYS 24 -9.077 -4.235 -6.157 173 1HB LYS 24 2HB LYS 24 -7.184 -5.151 -7.427 174 2HB LYS 24 3HB LYS 24 -6.054 -4.649 -6.156 175 1HG LYS 24 2HG LYS 24 -7.135 -6.190 -4.560 176 2HG LYS 24 3HG LYS 24 -8.360 -6.611 -5.776 177 1HD LYS 24 2HD LYS 24 -6.567 -7.475 -7.270 178 2HD LYS 24 3HD LYS 24 -5.350 -7.071 -6.040 179 1HE LYS 24 2HE LYS 24 -6.412 -8.654 -4.448 180 2HE LYS 24 3HE LYS 24 -7.676 -9.022 -5.631 181 1HZ LYS 24 1HZ LYS 24 -4.801 -9.589 -6.015 182 2HZ LYS 24 2HZ LYS 24 -5.956 -10.686 -5.606 183 3HZ LYS 24 3HZ LYS 24 -6.011 -9.950 -7.071 184 H ILE 25 HN ILE 25 -6.136 -2.726 -4.696 185 HA ILE 25 HA ILE 25 -6.701 -3.574 -2.065 186 HB ILE 25 HB ILE 25 -4.961 -1.477 -3.324 187 1HG1 ILE 25 2HG1 ILE 25 -4.266 -3.775 -3.744 188 2HG1 ILE 25 3HG1 ILE 25 -3.105 -2.834 -2.807 189 1HG2 ILE 25 1HG2 ILE 25 -3.790 -1.188 -1.216 190 2HG2 ILE 25 2HG2 ILE 25 -5.376 -0.435 -1.337 191 3HG2 ILE 25 3HG2 ILE 25 -5.183 -1.935 -0.386 192 1HD1 ILE 25 1HD1 ILE 25 -5.047 -4.938 -1.822 193 2HD1 ILE 25 2HD1 ILE 25 -3.278 -5.021 -1.832 194 3HD1 ILE 25 3HD1 ILE 25 -4.108 -3.880 -0.742 195 H GLY 26 HN GLY 26 -7.769 -0.770 -3.923 196 1HA GLY 26 1HA GLY 26 -8.909 0.829 -1.956 197 2HA GLY 26 2HA GLY 26 -9.564 0.576 -3.580 198 H LYS 27 HN LYS 27 -9.923 -2.536 -2.695 199 HA LYS 27 HA LYS 27 -12.602 -2.080 -1.538 200 1HB LYS 27 2HB LYS 27 -11.200 -4.322 -2.989 201 2HB LYS 27 3HB LYS 27 -12.649 -4.580 -2.063 202 1HG LYS 27 2HG LYS 27 -13.010 -2.219 -3.752 203 2HG LYS 27 3HG LYS 27 -12.416 -3.564 -4.721 204 1HD LYS 27 2HD LYS 27 -14.209 -5.016 -3.916 205 2HD LYS 27 3HD LYS 27 -14.786 -3.762 -2.798 206 1HE LYS 27 2HE LYS 27 -15.578 -2.363 -4.545 207 2HE LYS 27 3HE LYS 27 -14.647 -3.214 -5.788 208 1HZ LYS 27 1HZ LYS 27 -16.927 -4.379 -4.330 209 2HZ LYS 27 2HZ LYS 27 -16.982 -3.763 -5.854 210 3HZ LYS 27 3HZ LYS 27 -16.072 -5.093 -5.543 211 H LEU 28 HN LEU 28 -9.325 -2.860 -0.464 212 HA LEU 28 HA LEU 28 -10.035 -4.853 1.333 213 1HB LEU 28 2HB LEU 28 -7.757 -2.864 1.355 214 2HB LEU 28 3HB LEU 28 -7.903 -4.231 2.441 215 HG LEU 28 HG LEU 28 -6.569 -4.200 0.006 216 1HD1 LEU 28 1HD1 LEU 28 -6.179 -6.565 0.587 217 2HD1 LEU 28 2HD1 LEU 28 -6.046 -5.491 2.000 218 3HD1 LEU 28 3HD1 LEU 28 -7.525 -6.463 1.758 219 1HD2 LEU 28 1HD2 LEU 28 -8.991 -6.035 -0.155 220 2HD2 LEU 28 2HD2 LEU 28 -8.643 -4.688 -1.271 221 3HD2 LEU 28 3HD2 LEU 28 -7.584 -6.098 -1.233 222 H GLN 29 HN GLN 29 -10.672 -4.864 3.304 223 HA GLN 29 HA GLN 29 -12.078 -2.758 4.541 224 1HB GLN 29 2HB GLN 29 -12.305 -4.237 6.433 225 2HB GLN 29 3HB GLN 29 -12.544 -5.073 4.896 226 1HG GLN 29 2HG GLN 29 -9.913 -5.544 5.183 227 2HG GLN 29 3HG GLN 29 -10.308 -5.310 6.885 228 1HE2 GLN 29 2HE2 GLN 29 -9.330 -7.769 5.722 229 2HE2 GLN 29 1HE2 GLN 29 -10.615 -8.957 5.850 230 H GLY 30 HN GLY 30 -11.142 -0.870 5.117 231 1HA GLY 30 1HA GLY 30 -10.046 0.113 7.113 232 2HA GLY 30 2HA GLY 30 -8.649 -0.933 6.806 233 H VAL 31 HN VAL 31 -9.149 -0.415 3.709 234 HA VAL 31 HA VAL 31 -7.326 1.846 3.766 235 HB VAL 31 HB VAL 31 -8.347 -0.199 1.759 236 1HG1 VAL 31 1HG1 VAL 31 -6.966 0.866 0.002 237 2HG1 VAL 31 2HG1 VAL 31 -8.402 1.787 0.457 238 3HG1 VAL 31 3HG1 VAL 31 -6.794 2.302 1.044 239 1HG2 VAL 31 1HG2 VAL 31 -6.421 -0.751 3.262 240 2HG2 VAL 31 2HG2 VAL 31 -5.971 -0.734 1.549 241 3HG2 VAL 31 3HG2 VAL 31 -5.532 0.635 2.590 242 H GLN 32 HN GLN 32 -7.793 3.850 3.169 243 HA GLN 32 HA GLN 32 -10.562 4.557 2.354 244 1HB GLN 32 2HB GLN 32 -8.536 5.773 4.020 245 2HB GLN 32 3HB GLN 32 -9.377 6.920 2.962 246 1HG GLN 32 2HG GLN 32 -10.886 4.875 4.639 247 2HG GLN 32 3HG GLN 32 -10.303 6.369 5.360 248 1HE2 GLN 32 2HE2 GLN 32 -11.314 8.340 4.911 249 2HE2 GLN 32 1HE2 GLN 32 -12.762 8.454 3.905 250 H ARG 33 HN ARG 33 -7.057 5.101 1.446 251 HA ARG 33 HA ARG 33 -7.957 5.231 -1.330 252 1HB ARG 33 2HB ARG 33 -7.964 7.591 0.012 253 2HB ARG 33 3HB ARG 33 -6.262 7.576 -0.441 254 1HG ARG 33 2HG ARG 33 -6.757 7.720 -2.741 255 2HG ARG 33 3HG ARG 33 -8.395 7.061 -2.535 256 1HD ARG 33 2HD ARG 33 -9.142 9.026 -1.338 257 2HD ARG 33 3HD ARG 33 -7.561 9.779 -1.418 258 HE ARG 33 HE ARG 33 -9.617 9.490 -3.507 259 1HH1 ARG 33 1HH2 ARG 33 -6.224 10.210 -2.926 260 2HH1 ARG 33 2HH2 ARG 33 -6.004 11.186 -4.347 261 1HH2 ARG 33 1HH1 ARG 33 -9.369 10.725 -5.441 262 2HH2 ARG 33 2HH1 ARG 33 -7.845 11.447 -5.836 263 H ILE 34 HN ILE 34 -6.105 5.300 -2.848 264 HA ILE 34 HA ILE 34 -3.498 4.596 -1.785 265 HB ILE 34 HB ILE 34 -4.524 2.436 -1.748 266 1HG1 ILE 34 2HG1 ILE 34 -2.970 2.448 -4.324 267 2HG1 ILE 34 3HG1 ILE 34 -2.172 2.914 -2.834 268 1HG2 ILE 34 1HG2 ILE 34 -6.443 2.795 -3.274 269 2HG2 ILE 34 2HG2 ILE 34 -5.350 2.674 -4.666 270 3HG2 ILE 34 3HG2 ILE 34 -5.542 1.314 -3.554 271 1HD1 ILE 34 1HD1 ILE 34 -3.474 0.225 -3.374 272 2HD1 ILE 34 2HD1 ILE 34 -1.745 0.574 -3.229 273 3HD1 ILE 34 3HD1 ILE 34 -2.805 0.749 -1.819 274 H LYS 35 HN LYS 35 -1.890 5.261 -3.091 275 HA LYS 35 HA LYS 35 -2.387 5.826 -5.964 276 1HB LYS 35 2HB LYS 35 -2.655 7.911 -4.942 277 2HB LYS 35 3HB LYS 35 -1.402 7.617 -3.747 278 1HG LYS 35 2HG LYS 35 -0.399 7.610 -6.565 279 2HG LYS 35 3HG LYS 35 -1.158 9.121 -6.052 280 1HD LYS 35 2HD LYS 35 0.226 9.061 -3.950 281 2HD LYS 35 3HD LYS 35 1.140 7.701 -4.628 282 1HE LYS 35 2HE LYS 35 1.877 9.083 -6.519 283 2HE LYS 35 3HE LYS 35 0.863 10.432 -5.978 284 1HZ LYS 35 1HZ LYS 35 3.139 9.328 -4.465 285 2HZ LYS 35 2HZ LYS 35 3.140 10.732 -5.327 286 3HZ LYS 35 3HZ LYS 35 2.190 10.586 -3.995 287 H VAL 36 HN VAL 36 -0.976 4.431 -6.961 288 HA VAL 36 HA VAL 36 1.643 3.763 -5.641 289 HB VAL 36 HB VAL 36 -0.088 2.130 -7.523 290 1HG1 VAL 36 1HG1 VAL 36 2.646 1.505 -6.336 291 2HG1 VAL 36 2HG1 VAL 36 1.588 0.323 -7.140 292 3HG1 VAL 36 3HG1 VAL 36 2.230 1.694 -8.044 293 1HG2 VAL 36 1HG2 VAL 36 0.778 1.458 -4.680 294 2HG2 VAL 36 2HG2 VAL 36 -0.775 2.212 -5.048 295 3HG2 VAL 36 3HG2 VAL 36 -0.394 0.608 -5.694 296 H SER 37 HN SER 37 3.470 4.436 -6.696 297 HA SER 37 HA SER 37 3.197 5.593 -9.409 298 1HB SER 37 2HB SER 37 4.564 6.709 -7.583 299 2HB SER 37 3HB SER 37 5.668 5.325 -7.703 300 HG SER 37 HG SER 37 5.030 7.214 -9.733 301 H LEU 38 HN LEU 38 5.105 5.045 -10.793 302 HA LEU 38 HA LEU 38 5.804 2.145 -10.822 303 1HB LEU 38 2HB LEU 38 4.371 3.648 -12.854 304 2HB LEU 38 3HB LEU 38 5.959 3.247 -13.504 305 HG LEU 38 HG LEU 38 4.196 1.172 -12.162 306 1HD1 LEU 38 1HD1 LEU 38 2.940 2.200 -13.970 307 2HD1 LEU 38 2HD1 LEU 38 4.289 1.908 -15.086 308 3HD1 LEU 38 3HD1 LEU 38 3.421 0.540 -14.319 309 1HD2 LEU 38 1HD2 LEU 38 6.562 0.959 -14.069 310 2HD2 LEU 38 2HD2 LEU 38 6.583 0.580 -12.342 311 3HD2 LEU 38 3HD2 LEU 38 5.598 -0.393 -13.431 312 H ASP 39 HN ASP 39 6.645 5.284 -12.316 313 HA ASP 39 HA ASP 39 9.378 4.882 -12.708 314 1HB ASP 39 2HB ASP 39 7.998 7.477 -11.845 315 2HB ASP 39 3HB ASP 39 9.577 7.338 -12.601 316 H ASN 40 HN ASN 40 7.626 6.299 -9.939 317 HA ASN 40 HA ASN 40 10.056 6.845 -8.583 318 1HB ASN 40 2HB ASN 40 7.647 7.944 -8.444 319 2HB ASN 40 3HB ASN 40 7.432 6.814 -7.104 320 1HD2 ASN 40 2HD2 ASN 40 7.496 9.774 -7.113 321 2HD2 ASN 40 1HD2 ASN 40 8.830 10.211 -6.055 322 H GLN 41 HN GLN 41 8.198 4.002 -8.945 323 HA GLN 41 HA GLN 41 7.971 1.995 -7.977 324 1HB GLN 41 2HB GLN 41 10.493 2.604 -6.444 325 2HB GLN 41 3HB GLN 41 9.920 1.020 -7.009 326 1HG GLN 41 2HG GLN 41 10.172 1.903 -9.356 327 2HG GLN 41 3HG GLN 41 10.917 3.350 -8.655 328 1HE2 GLN 41 2HE2 GLN 41 11.876 0.676 -10.216 329 2HE2 GLN 41 1HE2 GLN 41 13.362 0.320 -9.354 330 H GLU 42 HN GLU 42 7.449 4.586 -6.361 331 HA GLU 42 HA GLU 42 7.217 3.537 -3.579 332 1HB GLU 42 2HB GLU 42 8.580 5.674 -4.300 333 2HB GLU 42 3HB GLU 42 6.993 6.424 -4.456 334 1HG GLU 42 2HG GLU 42 7.742 6.986 -2.313 335 2HG GLU 42 3HG GLU 42 6.575 5.697 -2.002 336 H ALA 43 HN ALA 43 5.236 3.950 -2.401 337 HA ALA 43 HA ALA 43 2.878 4.827 -3.984 338 1HB ALA 43 1HB ALA 43 1.611 2.871 -3.079 339 2HB ALA 43 2HB ALA 43 2.901 2.421 -4.226 340 3HB ALA 43 3HB ALA 43 3.149 2.194 -2.501 341 H THR 44 HN THR 44 1.021 5.341 -2.593 342 HA THR 44 HA THR 44 1.668 5.958 0.208 343 HB THR 44 HB THR 44 0.653 7.791 -2.006 344 HG1 THR 44 1HG THR 44 2.896 7.732 -0.299 345 1HG2 THR 44 1HG2 THR 44 0.637 8.145 1.001 346 2HG2 THR 44 2HG2 THR 44 0.481 9.497 -0.157 347 3HG2 THR 44 3HG2 THR 44 -0.738 8.207 -0.131 348 H ILE 45 HN ILE 45 0.120 4.857 1.323 349 HA ILE 45 HA ILE 45 -2.610 4.653 0.175 350 HB ILE 45 HB ILE 45 -1.402 2.766 2.153 351 1HG1 ILE 45 2HG1 ILE 45 -1.325 2.624 -0.870 352 2HG1 ILE 45 3HG1 ILE 45 0.097 2.791 0.176 353 1HG2 ILE 45 1HG2 ILE 45 -3.891 2.780 1.919 354 2HG2 ILE 45 2HG2 ILE 45 -3.691 2.523 0.185 355 3HG2 ILE 45 3HG2 ILE 45 -3.196 1.306 1.349 356 1HD1 ILE 45 1HD1 ILE 45 -1.708 0.427 0.087 357 2HD1 ILE 45 2HD1 ILE 45 -0.025 0.562 -0.443 358 3HD1 ILE 45 3HD1 ILE 45 -0.429 0.751 1.300 359 H VAL 46 HN VAL 46 -4.333 4.658 1.910 360 HA VAL 46 HA VAL 46 -3.516 6.057 4.368 361 HB VAL 46 HB VAL 46 -4.104 7.725 2.828 362 1HG1 VAL 46 1HG1 VAL 46 -6.361 8.099 2.131 363 2HG1 VAL 46 2HG1 VAL 46 -5.622 6.591 1.530 364 3HG1 VAL 46 3HG1 VAL 46 -6.811 6.539 2.868 365 1HG2 VAL 46 1HG2 VAL 46 -4.518 8.047 5.318 366 2HG2 VAL 46 2HG2 VAL 46 -5.607 8.989 4.287 367 3HG2 VAL 46 3HG2 VAL 46 -6.174 7.489 5.024 368 H TYR 47 HN TYR 47 -4.063 4.835 6.100 369 HA TYR 47 HA TYR 47 -6.653 3.560 6.297 370 1HB TYR 47 2HB TYR 47 -5.900 1.239 6.427 371 2HB TYR 47 3HB TYR 47 -5.552 1.923 4.855 372 HD1 TYR 47 1HD TYR 47 -3.466 1.743 3.887 373 HD2 TYR 47 2HD TYR 47 -3.934 1.007 8.105 374 HE1 TYR 47 1HE TYR 47 -1.237 0.689 3.963 375 HE2 TYR 47 2HE TYR 47 -1.645 0.177 8.218 376 HH TYR 47 HH TYR 47 0.135 -0.762 6.798 377 H GLN 48 HN GLN 48 -6.588 2.004 8.388 378 HA GLN 48 HA GLN 48 -4.658 3.011 10.406 379 1HB GLN 48 2HB GLN 48 -7.700 3.035 10.403 380 2HB GLN 48 3HB GLN 48 -6.886 2.711 11.901 381 1HG GLN 48 2HG GLN 48 -5.781 5.102 10.555 382 2HG GLN 48 3HG GLN 48 -7.530 5.198 10.816 383 1HE2 GLN 48 2HE2 GLN 48 -4.400 4.818 12.519 384 2HE2 GLN 48 1HE2 GLN 48 -4.998 5.340 14.073 385 HA PRO 49 HA PRO 49 -4.376 -1.229 11.707 386 1HB PRO 49 2HB PRO 49 -3.381 -0.915 14.227 387 2HB PRO 49 3HB PRO 49 -2.417 -0.577 12.779 388 1HG PRO 49 2HG PRO 49 -3.961 1.410 14.461 389 2HG PRO 49 3HG PRO 49 -2.262 1.527 13.919 390 1HD PRO 49 2HD PRO 49 -4.299 2.743 12.613 391 2HD PRO 49 3HD PRO 49 -2.919 2.052 11.706 392 H HIS 50 HN HIS 50 -6.782 -1.048 11.503 393 HA HIS 50 HA HIS 50 -7.953 -1.967 14.066 394 1HB HIS 50 2HB HIS 50 -8.878 0.455 12.561 395 2HB HIS 50 3HB HIS 50 -10.137 -0.719 12.941 396 HD1 HIS 50 1HD HIS 50 -7.241 0.207 15.320 397 HD2 HIS 50 2HD HIS 50 -11.426 0.335 14.919 398 HE1 HIS 50 1HE HIS 50 -8.174 1.007 17.568 399 H LEU 51 HN LEU 51 -8.801 -1.338 10.623 400 HA LEU 51 HA LEU 51 -10.101 -3.975 10.505 401 1HB LEU 51 2HB LEU 51 -9.839 -1.670 8.605 402 2HB LEU 51 3HB LEU 51 -10.580 -3.207 8.131 403 HG LEU 51 HG LEU 51 -11.547 -1.667 10.552 404 1HD1 LEU 51 1HD1 LEU 51 -12.486 -1.409 7.660 405 2HD1 LEU 51 2HD1 LEU 51 -13.343 -0.751 9.071 406 3HD1 LEU 51 3HD1 LEU 51 -11.736 -0.139 8.659 407 1HD2 LEU 51 1HD2 LEU 51 -13.658 -2.912 10.075 408 2HD2 LEU 51 2HD2 LEU 51 -12.847 -3.760 8.748 409 3HD2 LEU 51 3HD2 LEU 51 -12.317 -4.006 10.423 410 H ILE 52 HN ILE 52 -6.898 -2.617 9.742 411 HA ILE 52 HA ILE 52 -6.218 -5.127 8.356 412 HB ILE 52 HB ILE 52 -6.465 -3.081 6.916 413 1HG1 ILE 52 2HG1 ILE 52 -4.387 -3.437 5.709 414 2HG1 ILE 52 3HG1 ILE 52 -3.696 -4.367 7.041 415 1HG2 ILE 52 1HG2 ILE 52 -3.933 -2.224 8.313 416 2HG2 ILE 52 2HG2 ILE 52 -4.774 -1.399 6.977 417 3HG2 ILE 52 3HG2 ILE 52 -5.543 -1.521 8.574 418 1HD1 ILE 52 1HD1 ILE 52 -6.351 -5.078 5.729 419 2HD1 ILE 52 2HD1 ILE 52 -4.800 -5.647 5.066 420 3HD1 ILE 52 3HD1 ILE 52 -5.292 -6.113 6.712 421 H SER 53 HN SER 53 -4.202 -6.088 8.983 422 HA SER 53 HA SER 53 -3.456 -5.411 11.677 423 1HB SER 53 2HB SER 53 -2.300 -7.335 9.758 424 2HB SER 53 3HB SER 53 -1.907 -7.286 11.486 425 HG SER 53 HG SER 53 -4.368 -7.930 10.245 426 H VAL 54 HN VAL 54 -2.890 -3.431 9.616 427 HA VAL 54 HA VAL 54 -1.498 -1.807 9.180 428 HB VAL 54 HB VAL 54 -0.762 -2.519 11.757 429 1HG1 VAL 54 1HG1 VAL 54 1.651 -2.023 11.852 430 2HG1 VAL 54 2HG1 VAL 54 1.345 -3.546 11.000 431 3HG1 VAL 54 3HG1 VAL 54 1.724 -2.065 10.076 432 1HG2 VAL 54 1HG2 VAL 54 -1.453 -0.326 10.794 433 2HG2 VAL 54 2HG2 VAL 54 -0.026 -0.205 11.854 434 3HG2 VAL 54 3HG2 VAL 54 0.170 -0.181 10.089 435 H GLU 55 HN GLU 55 0.373 -4.782 9.477 436 HA GLU 55 HA GLU 55 1.948 -4.059 7.127 437 1HB GLU 55 2HB GLU 55 2.734 -5.264 9.310 438 2HB GLU 55 3HB GLU 55 2.049 -6.683 8.498 439 1HG GLU 55 2HG GLU 55 3.470 -6.153 6.483 440 2HG GLU 55 3HG GLU 55 4.067 -4.694 7.276 441 H GLU 56 HN GLU 56 -0.750 -6.225 7.963 442 HA GLU 56 HA GLU 56 -0.791 -8.124 5.992 443 1HB GLU 56 2HB GLU 56 -2.870 -6.524 7.405 444 2HB GLU 56 3HB GLU 56 -3.385 -7.235 5.878 445 1HG GLU 56 2HG GLU 56 -2.818 -9.455 6.551 446 2HG GLU 56 3HG GLU 56 -2.260 -8.890 8.134 447 H MET 57 HN MET 57 -2.011 -4.817 5.655 448 HA MET 57 HA MET 57 -2.817 -4.610 3.078 449 1HB MET 57 2HB MET 57 -2.062 -2.880 5.179 450 2HB MET 57 3HB MET 57 -1.058 -2.335 3.848 451 1HG MET 57 2HG MET 57 -4.030 -2.814 3.428 452 2HG MET 57 3HG MET 57 -3.487 -1.376 4.272 453 1HE MET 57 1HE MET 57 -2.624 -3.298 0.912 454 2HE MET 57 2HE MET 57 -2.053 -1.916 -0.049 455 3HE MET 57 3HE MET 57 -1.087 -2.456 1.315 456 H LYS 58 HN LYS 58 0.623 -4.151 4.068 457 HA LYS 58 HA LYS 58 1.591 -4.068 1.349 458 1HB LYS 58 2HB LYS 58 2.683 -3.071 3.382 459 2HB LYS 58 3HB LYS 58 3.078 -4.678 3.966 460 1HG LYS 58 2HG LYS 58 3.903 -3.997 1.153 461 2HG LYS 58 3HG LYS 58 4.702 -3.095 2.426 462 1HD LYS 58 2HD LYS 58 4.509 -6.119 2.460 463 2HD LYS 58 3HD LYS 58 5.806 -5.285 1.627 464 1HE LYS 58 2HE LYS 58 6.230 -4.136 3.956 465 2HE LYS 58 3HE LYS 58 5.220 -5.418 4.611 466 1HZ LYS 58 1HZ LYS 58 7.736 -5.772 3.091 467 2HZ LYS 58 2HZ LYS 58 7.465 -6.088 4.697 468 3HZ LYS 58 3HZ LYS 58 6.743 -6.988 3.506 469 H LYS 59 HN LYS 59 1.318 -6.661 3.821 470 HA LYS 59 HA LYS 59 2.791 -8.571 2.303 471 1HB LYS 59 2HB LYS 59 0.587 -9.081 4.343 472 2HB LYS 59 3HB LYS 59 1.753 -10.252 3.733 473 1HG LYS 59 2HG LYS 59 2.295 -7.891 5.554 474 2HG LYS 59 3HG LYS 59 2.573 -9.606 5.821 475 1HD LYS 59 2HD LYS 59 4.166 -9.373 3.707 476 2HD LYS 59 3HD LYS 59 4.155 -7.641 4.084 477 1HE LYS 59 2HE LYS 59 5.495 -7.934 5.872 478 2HE LYS 59 3HE LYS 59 4.740 -9.426 6.436 479 1HZ LYS 59 1HZ LYS 59 6.481 -9.243 4.072 480 2HZ LYS 59 2HZ LYS 59 7.051 -9.606 5.595 481 3HZ LYS 59 3HZ LYS 59 5.992 -10.617 4.832 482 H GLN 60 HN GLN 60 -0.560 -7.540 1.938 483 HA GLN 60 HA GLN 60 -1.422 -9.747 0.349 484 1HB GLN 60 2HB GLN 60 -2.220 -6.831 0.182 485 2HB GLN 60 3HB GLN 60 -3.096 -8.197 -0.466 486 1HG GLN 60 2HG GLN 60 -2.528 -8.636 2.354 487 2HG GLN 60 3HG GLN 60 -3.234 -7.027 2.159 488 1HE2 GLN 60 2HE2 GLN 60 -4.755 -8.398 3.705 489 2HE2 GLN 60 1HE2 GLN 60 -6.107 -9.128 2.869 490 H ILE 61 HN ILE 61 0.121 -6.662 -0.331 491 HA ILE 61 HA ILE 61 0.407 -7.028 -3.178 492 HB ILE 61 HB ILE 61 1.839 -5.195 -1.282 493 1HG1 ILE 61 2HG1 ILE 61 0.607 -3.610 -3.067 494 2HG1 ILE 61 3HG1 ILE 61 -0.451 -4.992 -3.291 495 1HG2 ILE 61 1HG2 ILE 61 2.019 -5.302 -4.329 496 2HG2 ILE 61 2HG2 ILE 61 2.786 -4.105 -3.261 497 3HG2 ILE 61 3HG2 ILE 61 3.342 -5.781 -3.251 498 1HD1 ILE 61 1HD1 ILE 61 0.204 -3.677 -0.627 499 2HD1 ILE 61 2HD1 ILE 61 -1.215 -3.309 -1.627 500 3HD1 ILE 61 3HD1 ILE 61 -1.042 -4.928 -0.927 501 H GLU 62 HN GLU 62 2.645 -7.836 -0.444 502 HA GLU 62 HA GLU 62 4.832 -8.658 -2.027 503 1HB GLU 62 2HB GLU 62 3.988 -9.942 0.589 504 2HB GLU 62 3HB GLU 62 5.536 -10.094 -0.259 505 1HG GLU 62 2HG GLU 62 5.499 -7.465 -0.222 506 2HG GLU 62 3HG GLU 62 4.381 -7.692 1.108 507 H ALA 63 HN ALA 63 2.051 -10.430 -0.763 508 HA ALA 63 HA ALA 63 2.518 -12.967 -1.819 509 1HB ALA 63 1HB ALA 63 1.031 -12.426 0.058 510 2HB ALA 63 2HB ALA 63 -0.100 -11.633 -1.047 511 3HB ALA 63 3HB ALA 63 0.180 -13.385 -1.178 512 H MET 64 HN MET 64 1.266 -10.138 -3.589 513 HA MET 64 HA MET 64 -0.046 -11.675 -5.656 514 1HB MET 64 2HB MET 64 1.308 -8.956 -5.861 515 2HB MET 64 3HB MET 64 0.202 -9.679 -7.029 516 1HG MET 64 2HG MET 64 -0.456 -8.865 -4.207 517 2HG MET 64 3HG MET 64 -0.950 -8.009 -5.652 518 1HE MET 64 1HE MET 64 -2.600 -9.249 -2.962 519 2HE MET 64 2HE MET 64 -3.246 -8.037 -4.090 520 3HE MET 64 3HE MET 64 -4.152 -9.537 -3.745 521 H GLY 65 HN GLY 65 3.276 -11.088 -4.789 522 1HA GLY 65 1HA GLY 65 4.789 -12.838 -5.437 523 2HA GLY 65 2HA GLY 65 4.151 -12.822 -7.084 524 H PHE 66 HN PHE 66 5.094 -10.108 -4.935 525 HA PHE 66 HA PHE 66 7.440 -9.440 -6.622 526 1HB PHE 66 2HB PHE 66 5.024 -7.655 -6.205 527 2HB PHE 66 3HB PHE 66 6.615 -7.050 -6.646 528 HD1 PHE 66 1HD PHE 66 7.742 -7.859 -8.749 529 HD2 PHE 66 2HD PHE 66 3.611 -8.725 -7.910 530 HE1 PHE 66 1HE PHE 66 7.384 -8.394 -11.110 531 HE2 PHE 66 2HE PHE 66 3.208 -9.143 -10.308 532 HZ PHE 66 HZ PHE 66 5.091 -8.969 -11.942 533 HA PRO 67 HA PRO 67 8.244 -8.780 -2.166 534 1HB PRO 67 2HB PRO 67 10.807 -7.783 -2.264 535 2HB PRO 67 3HB PRO 67 10.428 -9.509 -2.527 536 1HG PRO 67 2HG PRO 67 10.870 -7.373 -4.629 537 2HG PRO 67 3HG PRO 67 11.594 -9.006 -4.561 538 1HD PRO 67 2HD PRO 67 9.409 -8.444 -6.083 539 2HD PRO 67 3HD PRO 67 9.549 -10.020 -5.245 540 H ALA 68 HN ALA 68 7.224 -7.106 -1.161 541 HA ALA 68 HA ALA 68 7.635 -4.334 -2.235 542 1HB ALA 68 1HB ALA 68 5.175 -5.406 -0.816 543 2HB ALA 68 2HB ALA 68 5.374 -3.847 -1.635 544 3HB ALA 68 3HB ALA 68 5.390 -5.348 -2.577 545 H PHE 69 HN PHE 69 6.570 -2.955 -0.048 546 HA PHE 69 HA PHE 69 7.869 -3.768 2.317 547 1HB PHE 69 2HB PHE 69 9.686 -2.676 0.420 548 2HB PHE 69 3HB PHE 69 9.423 -1.411 1.604 549 HD1 PHE 69 1HD PHE 69 10.943 -4.668 0.974 550 HD2 PHE 69 2HD PHE 69 9.932 -1.805 4.051 551 HE1 PHE 69 1HE PHE 69 12.430 -5.838 2.566 552 HE2 PHE 69 2HE PHE 69 11.333 -3.048 5.660 553 HZ PHE 69 HZ PHE 69 12.609 -5.052 4.919 554 H VAL 70 HN VAL 70 7.798 -2.244 4.008 555 HA VAL 70 HA VAL 70 5.708 -0.172 3.729 556 HB VAL 70 HB VAL 70 4.814 -2.214 4.673 557 1HG1 VAL 70 1HG1 VAL 70 6.967 -2.889 5.758 558 2HG1 VAL 70 2HG1 VAL 70 6.667 -1.630 6.972 559 3HG1 VAL 70 3HG1 VAL 70 5.540 -2.999 6.817 560 1HG2 VAL 70 1HG2 VAL 70 4.971 0.042 6.707 561 2HG2 VAL 70 2HG2 VAL 70 3.859 -0.024 5.327 562 3HG2 VAL 70 3HG2 VAL 70 3.747 -1.249 6.597 563 H LYS 71 HN LYS 71 6.547 1.823 4.229 564 HA LYS 71 HA LYS 71 9.198 1.955 5.485 565 1HB LYS 71 2HB LYS 71 7.303 4.188 4.722 566 2HB LYS 71 3HB LYS 71 8.896 4.360 5.452 567 1HG LYS 71 2HG LYS 71 9.697 2.764 3.464 568 2HG LYS 71 3HG LYS 71 8.153 3.206 2.752 569 1HD LYS 71 2HD LYS 71 9.694 4.630 1.798 570 2HD LYS 71 3HD LYS 71 8.862 5.650 2.960 571 1HE LYS 71 2HE LYS 71 11.555 4.277 3.527 572 2HE LYS 71 3HE LYS 71 11.441 5.837 2.710 573 1HZ LYS 71 1HZ LYS 71 10.546 5.284 5.453 574 2HZ LYS 71 2HZ LYS 71 11.837 6.175 4.991 575 3HZ LYS 71 3HZ LYS 71 10.321 6.711 4.662 576 H LYS 72 HN LYS 72 6.265 3.765 6.608 577 HA LYS 72 HA LYS 72 6.142 2.246 8.975 578 1HB LYS 72 2HB LYS 72 8.118 3.684 9.577 579 2HB LYS 72 3HB LYS 72 7.099 5.128 9.418 580 1HG LYS 72 2HG LYS 72 5.740 4.477 11.275 581 2HG LYS 72 3HG LYS 72 6.252 2.777 11.127 582 1HD LYS 72 2HD LYS 72 8.568 3.530 11.906 583 2HD LYS 72 3HD LYS 72 7.784 5.062 12.361 584 1HE LYS 72 2HE LYS 72 5.981 3.165 13.320 585 2HE LYS 72 3HE LYS 72 7.485 2.276 13.514 586 1HZ LYS 72 1HZ LYS 72 6.704 4.886 14.657 587 2HZ LYS 72 2HZ LYS 72 6.710 3.517 15.416 588 3HZ LYS 72 3HZ LYS 72 8.202 4.162 14.975 589 H ILE 73 HN ILE 73 4.307 2.865 10.298 590 HA ILE 73 HA ILE 73 2.264 4.607 9.133 591 HB ILE 73 HB ILE 73 1.839 2.862 7.779 592 1HG1 ILE 73 2HG1 ILE 73 -0.060 1.551 8.633 593 2HG1 ILE 73 3HG1 ILE 73 0.174 2.203 10.246 594 1HG2 ILE 73 1HG2 ILE 73 1.922 0.477 8.353 595 2HG2 ILE 73 2HG2 ILE 73 3.468 1.314 8.435 596 3HG2 ILE 73 3HG2 ILE 73 2.598 0.921 9.938 597 1HD1 ILE 73 1HD1 ILE 73 -0.719 3.605 7.715 598 2HD1 ILE 73 2HD1 ILE 73 -1.570 3.453 9.255 599 3HD1 ILE 73 3HD1 ILE 73 -0.146 4.509 9.139 600 H GLU 74 HN GLU 74 1.631 5.647 11.145 601 HA GLU 74 HA GLU 74 0.584 4.021 13.301 602 1HB GLU 74 2HB GLU 74 3.051 5.842 13.557 603 2HB GLU 74 3HB GLU 74 1.990 5.635 14.940 604 1HG GLU 74 2HG GLU 74 2.513 3.330 15.202 605 2HG GLU 74 3HG GLU 74 3.383 3.269 13.666 606 H GLY 75 HN GLY 75 -0.770 5.367 14.722 607 1HA GLY 75 1HA GLY 75 -0.836 8.137 14.674 608 2HA GLY 75 2HA GLY 75 -2.012 7.610 13.454 609 H ARG 76 HN ARG 76 -2.824 8.977 15.625 610 HA ARG 76 HA ARG 76 -4.591 9.031 17.028 611 1HB ARG 76 2HB ARG 76 -5.238 6.602 16.180 612 2HB ARG 76 3HB ARG 76 -4.493 6.097 17.712 613 1HG ARG 76 2HG ARG 76 -6.038 7.717 18.899 614 2HG ARG 76 3HG ARG 76 -6.769 8.094 17.327 615 1HD ARG 76 2HD ARG 76 -7.256 5.598 17.090 616 2HD ARG 76 3HD ARG 76 -6.744 5.429 18.790 617 HE ARG 76 HE ARG 76 -8.647 7.484 18.740 618 1HH1 ARG 76 1HH2 ARG 76 -8.513 4.024 18.158 619 2HH1 ARG 76 2HH2 ARG 76 -10.211 3.728 18.353 620 1HH2 ARG 76 1HH1 ARG 76 -10.933 7.171 19.018 621 2HH2 ARG 76 2HH1 ARG 76 -11.619 5.584 18.905 Start of MODEL 22 1 1H GLY 1 1H GLY 1 -10.658 7.729 10.579 2 2H GLY 1 2H GLY 1 -9.689 6.749 11.533 3 3H GLY 1 3H GLY 1 -9.026 7.942 10.620 4 1HA GLY 1 1HA GLY 1 -9.006 5.435 9.894 5 2HA GLY 1 2HA GLY 1 -10.594 5.889 9.296 6 H GLU 2 HN GLU 2 -7.306 7.525 9.424 7 HA GLU 2 HA GLU 2 -7.120 7.669 6.602 8 1HB GLU 2 2HB GLU 2 -8.760 9.691 7.909 9 2HB GLU 2 3HB GLU 2 -7.369 10.489 7.214 10 1HG GLU 2 2HG GLU 2 -7.843 9.689 5.019 11 2HG GLU 2 3HG GLU 2 -9.079 8.567 5.606 12 H VAL 3 HN VAL 3 -5.189 6.614 7.928 13 HA VAL 3 HA VAL 3 -3.170 8.728 8.552 14 HB VAL 3 HB VAL 3 -3.024 5.732 9.035 15 1HG1 VAL 3 1HG1 VAL 3 -0.839 6.900 8.717 16 2HG1 VAL 3 2HG1 VAL 3 -1.275 8.002 10.037 17 3HG1 VAL 3 3HG1 VAL 3 -1.094 6.253 10.329 18 1HG2 VAL 3 1HG2 VAL 3 -3.370 6.240 11.387 19 2HG2 VAL 3 2HG2 VAL 3 -3.517 7.982 11.037 20 3HG2 VAL 3 3HG2 VAL 3 -4.762 6.858 10.480 21 H VAL 4 HN VAL 4 -1.682 9.121 7.017 22 HA VAL 4 HA VAL 4 -1.699 7.644 4.514 23 HB VAL 4 HB VAL 4 -1.164 10.269 5.207 24 1HG1 VAL 4 1HG1 VAL 4 1.421 8.978 4.313 25 2HG1 VAL 4 2HG1 VAL 4 1.120 10.717 4.532 26 3HG1 VAL 4 3HG1 VAL 4 1.114 9.645 5.944 27 1HG2 VAL 4 1HG2 VAL 4 -0.766 8.628 2.712 28 2HG2 VAL 4 2HG2 VAL 4 -2.027 9.815 3.090 29 3HG2 VAL 4 3HG2 VAL 4 -0.378 10.357 2.734 30 H LEU 5 HN LEU 5 -0.160 6.181 3.785 31 HA LEU 5 HA LEU 5 2.199 5.617 5.511 32 1HB LEU 5 2HB LEU 5 0.559 4.106 6.250 33 2HB LEU 5 3HB LEU 5 -0.037 3.769 4.643 34 HG LEU 5 HG LEU 5 1.264 1.973 5.813 35 1HD1 LEU 5 1HD1 LEU 5 1.878 0.963 3.857 36 2HD1 LEU 5 2HD1 LEU 5 0.783 2.214 3.279 37 3HD1 LEU 5 3HD1 LEU 5 2.524 2.436 3.117 38 1HD2 LEU 5 1HD2 LEU 5 3.910 2.621 4.906 39 2HD2 LEU 5 2HD2 LEU 5 3.364 3.846 6.057 40 3HD2 LEU 5 3HD2 LEU 5 3.345 2.145 6.498 41 H LYS 6 HN LYS 6 3.974 5.194 4.367 42 HA LYS 6 HA LYS 6 3.779 5.051 1.409 43 1HB LYS 6 2HB LYS 6 5.680 6.458 3.260 44 2HB LYS 6 3HB LYS 6 6.391 5.668 1.862 45 1HG LYS 6 2HG LYS 6 4.138 6.988 0.809 46 2HG LYS 6 3HG LYS 6 4.774 8.142 1.967 47 1HD LYS 6 2HD LYS 6 6.525 6.704 -0.069 48 2HD LYS 6 3HD LYS 6 5.550 8.077 -0.554 49 1HE LYS 6 2HE LYS 6 6.699 9.468 1.238 50 2HE LYS 6 3HE LYS 6 7.769 8.084 1.544 51 1HZ LYS 6 1HZ LYS 6 7.527 9.532 -1.019 52 2HZ LYS 6 2HZ LYS 6 8.808 9.607 0.017 53 3HZ LYS 6 3HZ LYS 6 8.439 8.226 -0.806 54 H MET 7 HN MET 7 4.478 3.378 0.319 55 HA MET 7 HA MET 7 6.189 1.359 1.687 56 1HB MET 7 2HB MET 7 4.901 -0.404 0.557 57 2HB MET 7 3HB MET 7 3.896 0.500 1.698 58 1HG MET 7 2HG MET 7 2.790 1.620 -0.095 59 2HG MET 7 3HG MET 7 4.007 1.123 -1.275 60 1HE MET 7 1HE MET 7 2.878 -1.712 1.178 61 2HE MET 7 2HE MET 7 1.592 -0.495 1.323 62 3HE MET 7 3HE MET 7 1.260 -2.042 0.525 63 H LYS 8 HN LYS 8 7.301 0.011 0.238 64 HA LYS 8 HA LYS 8 7.933 1.098 -2.455 65 1HB LYS 8 2HB LYS 8 9.491 -0.470 -0.372 66 2HB LYS 8 3HB LYS 8 9.817 -0.790 -2.067 67 1HG LYS 8 2HG LYS 8 10.056 1.951 -0.748 68 2HG LYS 8 3HG LYS 8 11.381 0.832 -1.141 69 1HD LYS 8 2HD LYS 8 10.287 0.879 -3.563 70 2HD LYS 8 3HD LYS 8 9.601 2.416 -2.990 71 1HE LYS 8 2HE LYS 8 11.794 3.363 -2.679 72 2HE LYS 8 3HE LYS 8 12.587 1.808 -3.015 73 1HZ LYS 8 1HZ LYS 8 10.834 3.100 -4.987 74 2HZ LYS 8 2HZ LYS 8 12.453 3.439 -4.925 75 3HZ LYS 8 3HZ LYS 8 11.922 1.913 -5.239 76 H VAL 9 HN VAL 9 7.000 0.017 -4.054 77 HA VAL 9 HA VAL 9 6.272 -2.865 -3.714 78 HB VAL 9 HB VAL 9 5.028 -0.860 -5.652 79 1HG1 VAL 9 1HG1 VAL 9 4.308 -3.723 -4.850 80 2HG1 VAL 9 2HG1 VAL 9 3.370 -2.694 -5.951 81 3HG1 VAL 9 3HG1 VAL 9 4.990 -3.231 -6.410 82 1HG2 VAL 9 1HG2 VAL 9 4.331 -0.228 -3.412 83 2HG2 VAL 9 2HG2 VAL 9 3.000 -1.083 -4.199 84 3HG2 VAL 9 3HG2 VAL 9 4.007 -1.928 -2.999 85 H GLU 10 HN GLU 10 8.537 -3.244 -4.108 86 HA GLU 10 HA GLU 10 9.575 -2.457 -6.751 87 1HB GLU 10 2HB GLU 10 11.706 -3.198 -6.151 88 2HB GLU 10 3HB GLU 10 11.012 -2.067 -4.970 89 1HG GLU 10 2HG GLU 10 10.296 -4.007 -3.625 90 2HG GLU 10 3HG GLU 10 11.258 -5.021 -4.711 91 H GLY 11 HN GLY 11 10.658 -4.136 -8.123 92 1HA GLY 11 1HA GLY 11 10.824 -6.339 -8.908 93 2HA GLY 11 2HA GLY 11 9.407 -6.825 -7.987 94 H MET 12 HN MET 12 7.698 -4.571 -8.987 95 HA MET 12 HA MET 12 6.767 -5.890 -11.360 96 1HB MET 12 2HB MET 12 5.911 -3.558 -9.710 97 2HB MET 12 3HB MET 12 5.494 -3.446 -11.422 98 1HG MET 12 2HG MET 12 4.798 -5.840 -9.691 99 2HG MET 12 3HG MET 12 3.724 -4.497 -10.068 100 1HE MET 12 1HE MET 12 1.702 -5.704 -11.402 101 2HE MET 12 2HE MET 12 2.048 -7.221 -12.247 102 3HE MET 12 3HE MET 12 2.464 -7.036 -10.524 103 H THR 13 HN THR 13 6.351 -4.821 -13.448 104 HA THR 13 HA THR 13 8.885 -3.701 -14.489 105 HB THR 13 HB THR 13 7.852 -4.286 -16.698 106 HG1 THR 13 1HG THR 13 5.920 -5.734 -15.230 107 1HG2 THR 13 1HG2 THR 13 7.947 -6.602 -14.704 108 2HG2 THR 13 2HG2 THR 13 8.102 -6.710 -16.470 109 3HG2 THR 13 3HG2 THR 13 9.352 -5.885 -15.517 110 H CYS 14 HN CYS 14 8.650 -2.030 -16.275 111 HA CYS 14 HA CYS 14 7.397 0.296 -15.319 112 1HB CYS 14 2HB CYS 14 8.039 1.366 -17.325 113 2HB CYS 14 3HB CYS 14 9.342 0.261 -16.852 114 HG CYS 14 HG CYS 14 9.112 0.294 -19.436 115 H HIS 15 HN HIS 15 5.407 1.241 -15.773 116 HA HIS 15 HA HIS 15 3.123 1.204 -16.104 117 1HB HIS 15 2HB HIS 15 4.076 2.414 -17.959 118 2HB HIS 15 3HB HIS 15 4.269 0.921 -18.884 119 HD1 HIS 15 1HD HIS 15 1.131 2.445 -17.099 120 HD2 HIS 15 2HD HIS 15 2.470 0.760 -20.718 121 HE1 HIS 15 1HE HIS 15 -0.904 2.275 -18.629 122 H SER 16 HN SER 16 3.123 -1.014 -14.921 123 HA SER 16 HA SER 16 1.515 -2.903 -16.552 124 1HB SER 16 2HB SER 16 4.076 -3.201 -16.892 125 2HB SER 16 3HB SER 16 4.107 -3.710 -15.200 126 HG SER 16 HG SER 16 3.923 -5.398 -16.818 127 H CYS 17 HN CYS 17 1.000 -1.269 -14.087 128 HA CYS 17 HA CYS 17 0.091 -3.300 -12.254 129 1HB CYS 17 2HB CYS 17 1.683 -2.782 -10.385 130 2HB CYS 17 3HB CYS 17 2.412 -3.608 -11.760 131 HG CYS 17 HG CYS 17 4.139 -1.979 -10.816 132 H THR 18 HN THR 18 1.222 -0.612 -10.473 133 HA THR 18 HA THR 18 0.027 0.825 -9.286 134 HB THR 18 HB THR 18 -0.583 2.865 -10.784 135 HG1 THR 18 1HG THR 18 0.582 1.155 -12.733 136 1HG2 THR 18 1HG2 THR 18 2.169 1.573 -10.878 137 2HG2 THR 18 2HG2 THR 18 1.823 3.224 -11.461 138 3HG2 THR 18 3HG2 THR 18 1.554 2.818 -9.772 139 H SER 19 HN SER 19 -2.207 1.603 -11.918 140 HA SER 19 HA SER 19 -4.326 1.696 -10.255 141 1HB SER 19 2HB SER 19 -4.602 0.799 -13.154 142 2HB SER 19 3HB SER 19 -5.665 1.885 -12.228 143 HG SER 19 HG SER 19 -4.384 3.261 -13.363 144 H THR 20 HN THR 20 -3.144 -1.237 -11.810 145 HA THR 20 HA THR 20 -5.438 -2.861 -11.145 146 HB THR 20 HB THR 20 -2.973 -3.217 -12.529 147 HG1 THR 20 1HG THR 20 -5.144 -4.980 -12.126 148 1HG2 THR 20 1HG2 THR 20 -3.389 -5.338 -10.402 149 2HG2 THR 20 2HG2 THR 20 -2.430 -5.538 -11.886 150 3HG2 THR 20 3HG2 THR 20 -1.942 -4.329 -10.700 151 H ILE 21 HN ILE 21 -2.355 -2.199 -9.436 152 HA ILE 21 HA ILE 21 -2.987 -3.693 -7.065 153 HB ILE 21 HB ILE 21 -0.977 -1.586 -7.848 154 1HG1 ILE 21 2HG1 ILE 21 0.591 -3.207 -6.897 155 2HG1 ILE 21 3HG1 ILE 21 -0.744 -4.258 -6.381 156 1HG2 ILE 21 1HG2 ILE 21 -1.375 -2.474 -5.001 157 2HG2 ILE 21 2HG2 ILE 21 -0.082 -1.453 -5.688 158 3HG2 ILE 21 3HG2 ILE 21 -1.737 -0.829 -5.607 159 1HD1 ILE 21 1HD1 ILE 21 -0.261 -3.426 -9.225 160 2HD1 ILE 21 2HD1 ILE 21 0.461 -4.895 -8.502 161 3HD1 ILE 21 3HD1 ILE 21 -1.312 -4.747 -8.605 162 H GLU 22 HN GLU 22 -3.454 -0.176 -7.970 163 HA GLU 22 HA GLU 22 -4.342 0.624 -5.505 164 1HB GLU 22 2HB GLU 22 -5.023 1.617 -8.291 165 2HB GLU 22 3HB GLU 22 -5.467 2.520 -6.868 166 1HG GLU 22 2HG GLU 22 -3.238 2.951 -6.252 167 2HG GLU 22 3HG GLU 22 -2.562 1.715 -7.326 168 H GLY 23 HN GLY 23 -6.299 -0.055 -8.321 169 1HA GLY 23 1HA GLY 23 -8.899 -0.045 -7.321 170 2HA GLY 23 2HA GLY 23 -8.357 -1.059 -8.671 171 H LYS 24 HN LYS 24 -6.694 -2.950 -7.536 172 HA LYS 24 HA LYS 24 -8.608 -4.701 -6.360 173 1HB LYS 24 2HB LYS 24 -6.413 -5.253 -7.664 174 2HB LYS 24 3HB LYS 24 -5.596 -5.020 -6.123 175 1HG LYS 24 2HG LYS 24 -5.975 -7.233 -5.871 176 2HG LYS 24 3HG LYS 24 -7.598 -6.766 -5.368 177 1HD LYS 24 2HD LYS 24 -6.673 -7.571 -8.172 178 2HD LYS 24 3HD LYS 24 -7.616 -8.570 -7.057 179 1HE LYS 24 2HE LYS 24 -9.501 -6.936 -7.178 180 2HE LYS 24 3HE LYS 24 -8.571 -5.939 -8.312 181 1HZ LYS 24 1HZ LYS 24 -9.444 -8.695 -8.831 182 2HZ LYS 24 2HZ LYS 24 -10.116 -7.328 -9.448 183 3HZ LYS 24 3HZ LYS 24 -8.583 -7.742 -9.862 184 H ILE 25 HN ILE 25 -5.868 -2.881 -4.877 185 HA ILE 25 HA ILE 25 -6.370 -3.864 -2.258 186 HB ILE 25 HB ILE 25 -4.738 -1.646 -3.460 187 1HG1 ILE 25 2HG1 ILE 25 -3.968 -3.878 -4.024 188 2HG1 ILE 25 3HG1 ILE 25 -2.821 -2.956 -3.054 189 1HG2 ILE 25 1HG2 ILE 25 -4.938 -2.270 -0.544 190 2HG2 ILE 25 2HG2 ILE 25 -3.529 -1.497 -1.303 191 3HG2 ILE 25 3HG2 ILE 25 -5.120 -0.724 -1.413 192 1HD1 ILE 25 1HD1 ILE 25 -4.693 -5.146 -2.096 193 2HD1 ILE 25 2HD1 ILE 25 -2.937 -5.235 -2.249 194 3HD1 ILE 25 3HD1 ILE 25 -3.669 -4.149 -1.034 195 H GLY 26 HN GLY 26 -7.745 -1.223 -4.108 196 1HA GLY 26 1HA GLY 26 -9.013 0.215 -2.047 197 2HA GLY 26 2HA GLY 26 -9.606 0.007 -3.701 198 H LYS 27 HN LYS 27 -9.576 -3.171 -2.879 199 HA LYS 27 HA LYS 27 -12.348 -3.111 -1.838 200 1HB LYS 27 2HB LYS 27 -10.640 -5.040 -3.320 201 2HB LYS 27 3HB LYS 27 -11.702 -5.733 -2.119 202 1HG LYS 27 2HG LYS 27 -12.797 -3.661 -4.046 203 2HG LYS 27 3HG LYS 27 -12.500 -5.310 -4.597 204 1HD LYS 27 2HD LYS 27 -13.880 -6.246 -2.803 205 2HD LYS 27 3HD LYS 27 -14.195 -4.623 -2.157 206 1HE LYS 27 2HE LYS 27 -15.388 -3.993 -4.220 207 2HE LYS 27 3HE LYS 27 -14.970 -5.539 -4.977 208 1HZ LYS 27 1HZ LYS 27 -16.673 -5.236 -2.592 209 2HZ LYS 27 2HZ LYS 27 -17.202 -5.540 -4.118 210 3HZ LYS 27 3HZ LYS 27 -16.293 -6.658 -3.330 211 H LEU 28 HN LEU 28 -9.063 -3.218 -0.584 212 HA LEU 28 HA LEU 28 -9.513 -5.183 1.323 213 1HB LEU 28 2HB LEU 28 -7.534 -2.898 1.237 214 2HB LEU 28 3HB LEU 28 -7.502 -4.203 2.401 215 HG LEU 28 HG LEU 28 -6.157 -4.130 -0.048 216 1HD1 LEU 28 1HD1 LEU 28 -6.780 -6.365 1.860 217 2HD1 LEU 28 2HD1 LEU 28 -5.416 -6.349 0.701 218 3HD1 LEU 28 3HD1 LEU 28 -5.466 -5.167 2.032 219 1HD2 LEU 28 1HD2 LEU 28 -6.880 -6.236 -1.139 220 2HD2 LEU 28 2HD2 LEU 28 -8.285 -6.307 -0.059 221 3HD2 LEU 28 3HD2 LEU 28 -8.138 -5.008 -1.272 222 H GLN 29 HN GLN 29 -10.130 -5.156 3.332 223 HA GLN 29 HA GLN 29 -11.819 -3.119 4.377 224 1HB GLN 29 2HB GLN 29 -12.003 -4.506 6.336 225 2HB GLN 29 3HB GLN 29 -12.092 -5.457 4.849 226 1HG GLN 29 2HG GLN 29 -9.470 -5.737 5.238 227 2HG GLN 29 3HG GLN 29 -9.884 -5.262 6.884 228 1HE2 GLN 29 2HE2 GLN 29 -9.530 -7.207 7.964 229 2HE2 GLN 29 1HE2 GLN 29 -10.353 -8.705 7.539 230 H GLY 30 HN GLY 30 -11.110 -1.135 4.979 231 1HA GLY 30 1HA GLY 30 -10.190 0.033 6.919 232 2HA GLY 30 2HA GLY 30 -8.715 -0.941 6.790 233 H VAL 31 HN VAL 31 -9.058 -0.562 3.639 234 HA VAL 31 HA VAL 31 -7.309 1.775 3.652 235 HB VAL 31 HB VAL 31 -8.197 -0.410 1.728 236 1HG1 VAL 31 1HG1 VAL 31 -6.652 2.087 0.973 237 2HG1 VAL 31 2HG1 VAL 31 -6.733 0.599 -0.007 238 3HG1 VAL 31 3HG1 VAL 31 -8.212 1.508 0.324 239 1HG2 VAL 31 1HG2 VAL 31 -5.457 0.501 2.722 240 2HG2 VAL 31 2HG2 VAL 31 -6.360 -0.905 3.321 241 3HG2 VAL 31 3HG2 VAL 31 -5.766 -0.882 1.653 242 H GLN 32 HN GLN 32 -7.874 3.718 3.081 243 HA GLN 32 HA GLN 32 -10.638 4.334 2.246 244 1HB GLN 32 2HB GLN 32 -8.623 5.610 3.841 245 2HB GLN 32 3HB GLN 32 -9.212 6.724 2.593 246 1HG GLN 32 2HG GLN 32 -10.979 5.126 4.489 247 2HG GLN 32 3HG GLN 32 -10.406 6.767 4.806 248 1HE2 GLN 32 2HE2 GLN 32 -12.993 6.823 4.891 249 2HE2 GLN 32 1HE2 GLN 32 -13.702 7.393 3.388 250 H ARG 33 HN ARG 33 -7.180 5.014 1.243 251 HA ARG 33 HA ARG 33 -8.058 4.815 -1.548 252 1HB ARG 33 2HB ARG 33 -8.415 7.254 -0.620 253 2HB ARG 33 3HB ARG 33 -6.656 7.388 -0.734 254 1HG ARG 33 2HG ARG 33 -6.786 6.897 -3.172 255 2HG ARG 33 3HG ARG 33 -8.542 6.647 -3.010 256 1HD ARG 33 2HD ARG 33 -8.711 9.006 -2.129 257 2HD ARG 33 3HD ARG 33 -6.991 9.230 -2.545 258 HE ARG 33 HE ARG 33 -8.254 8.251 -4.850 259 1HH1 ARG 33 1HH2 ARG 33 -8.423 11.115 -2.813 260 2HH1 ARG 33 2HH2 ARG 33 -9.135 12.147 -4.013 261 1HH2 ARG 33 1HH1 ARG 33 -9.235 9.575 -6.486 262 2HH2 ARG 33 2HH1 ARG 33 -9.593 11.240 -6.166 263 H ILE 34 HN ILE 34 -6.179 4.859 -3.039 264 HA ILE 34 HA ILE 34 -3.543 4.468 -1.847 265 HB ILE 34 HB ILE 34 -4.386 2.231 -1.775 266 1HG1 ILE 34 2HG1 ILE 34 -2.752 2.364 -4.316 267 2HG1 ILE 34 3HG1 ILE 34 -2.076 2.759 -2.750 268 1HG2 ILE 34 1HG2 ILE 34 -5.360 1.021 -3.614 269 2HG2 ILE 34 2HG2 ILE 34 -6.350 2.412 -3.237 270 3HG2 ILE 34 3HG2 ILE 34 -5.308 2.449 -4.663 271 1HD1 ILE 34 1HD1 ILE 34 -3.223 0.077 -3.600 272 2HD1 ILE 34 2HD1 ILE 34 -1.532 0.481 -3.270 273 3HD1 ILE 34 3HD1 ILE 34 -2.713 0.480 -1.950 274 H LYS 35 HN LYS 35 -1.909 5.140 -3.204 275 HA LYS 35 HA LYS 35 -2.433 5.550 -6.079 276 1HB LYS 35 2HB LYS 35 -1.466 7.691 -6.067 277 2HB LYS 35 3HB LYS 35 -2.909 7.663 -5.062 278 1HG LYS 35 2HG LYS 35 -1.561 8.876 -3.716 279 2HG LYS 35 3HG LYS 35 -1.222 7.277 -3.094 280 1HD LYS 35 2HD LYS 35 1.008 7.563 -3.561 281 2HD LYS 35 3HD LYS 35 0.644 7.688 -5.266 282 1HE LYS 35 2HE LYS 35 0.454 9.993 -5.245 283 2HE LYS 35 3HE LYS 35 0.210 10.101 -3.491 284 1HZ LYS 35 1HZ LYS 35 2.761 9.357 -4.733 285 2HZ LYS 35 2HZ LYS 35 2.405 10.797 -4.021 286 3HZ LYS 35 3HZ LYS 35 2.442 9.419 -3.113 287 H VAL 36 HN VAL 36 -0.818 4.494 -7.145 288 HA VAL 36 HA VAL 36 1.740 3.886 -5.704 289 HB VAL 36 HB VAL 36 0.184 2.389 -7.809 290 1HG1 VAL 36 1HG1 VAL 36 1.780 0.501 -7.396 291 2HG1 VAL 36 2HG1 VAL 36 2.613 1.890 -8.096 292 3HG1 VAL 36 3HG1 VAL 36 2.760 1.563 -6.373 293 1HG2 VAL 36 1HG2 VAL 36 0.728 1.316 -5.034 294 2HG2 VAL 36 2HG2 VAL 36 -0.702 2.307 -5.365 295 3HG2 VAL 36 3HG2 VAL 36 -0.444 0.814 -6.258 296 H SER 37 HN SER 37 3.671 3.983 -7.016 297 HA SER 37 HA SER 37 3.402 5.393 -9.628 298 1HB SER 37 2HB SER 37 4.021 7.021 -7.878 299 2HB SER 37 3HB SER 37 5.381 5.981 -7.418 300 HG SER 37 HG SER 37 5.057 7.586 -9.693 301 H LEU 38 HN LEU 38 5.191 5.080 -10.979 302 HA LEU 38 HA LEU 38 6.393 2.344 -10.803 303 1HB LEU 38 2HB LEU 38 5.377 4.132 -13.023 304 2HB LEU 38 3HB LEU 38 6.586 2.910 -13.381 305 HG LEU 38 HG LEU 38 4.174 2.003 -11.795 306 1HD1 LEU 38 1HD1 LEU 38 4.108 2.683 -14.747 307 2HD1 LEU 38 2HD1 LEU 38 2.874 1.721 -13.872 308 3HD1 LEU 38 3HD1 LEU 38 3.138 3.423 -13.466 309 1HD2 LEU 38 1HD2 LEU 38 5.738 0.305 -12.171 310 2HD2 LEU 38 2HD2 LEU 38 4.538 0.060 -13.464 311 3HD2 LEU 38 3HD2 LEU 38 6.069 0.844 -13.813 312 H ASP 39 HN ASP 39 7.051 5.581 -12.317 313 HA ASP 39 HA ASP 39 9.755 5.357 -12.677 314 1HB ASP 39 2HB ASP 39 8.372 7.899 -11.689 315 2HB ASP 39 3HB ASP 39 9.792 7.764 -12.698 316 H ASN 40 HN ASN 40 8.081 6.905 -9.935 317 HA ASN 40 HA ASN 40 10.492 7.222 -8.525 318 1HB ASN 40 2HB ASN 40 7.768 8.091 -8.152 319 2HB ASN 40 3HB ASN 40 8.274 7.338 -6.647 320 1HD2 ASN 40 2HD2 ASN 40 9.202 8.768 -5.198 321 2HD2 ASN 40 1HD2 ASN 40 10.089 10.201 -5.696 322 H GLN 41 HN GLN 41 8.297 4.651 -8.975 323 HA GLN 41 HA GLN 41 7.881 2.666 -8.204 324 1HB GLN 41 2HB GLN 41 10.383 2.774 -9.015 325 2HB GLN 41 3HB GLN 41 10.777 2.574 -7.315 326 1HG GLN 41 2HG GLN 41 8.854 0.667 -7.574 327 2HG GLN 41 3HG GLN 41 9.382 0.743 -9.250 328 1HE2 GLN 41 2HE2 GLN 41 10.439 0.210 -5.899 329 2HE2 GLN 41 1HE2 GLN 41 11.926 -0.657 -6.299 330 H GLU 42 HN GLU 42 6.628 3.955 -6.539 331 HA GLU 42 HA GLU 42 7.122 3.021 -3.832 332 1HB GLU 42 2HB GLU 42 8.516 5.266 -4.328 333 2HB GLU 42 3HB GLU 42 6.939 6.037 -4.178 334 1HG GLU 42 2HG GLU 42 6.705 5.082 -1.898 335 2HG GLU 42 3HG GLU 42 8.258 4.252 -2.067 336 H ALA 43 HN ALA 43 5.135 3.580 -2.466 337 HA ALA 43 HA ALA 43 2.866 4.760 -3.976 338 1HB ALA 43 1HB ALA 43 1.367 2.941 -3.520 339 2HB ALA 43 2HB ALA 43 2.805 2.209 -4.278 340 3HB ALA 43 3HB ALA 43 2.550 2.095 -2.536 341 H THR 44 HN THR 44 1.017 5.320 -2.591 342 HA THR 44 HA THR 44 1.683 5.578 0.225 343 HB THR 44 HB THR 44 0.292 7.603 -1.564 344 HG1 THR 44 1HG THR 44 2.847 7.827 -0.409 345 1HG2 THR 44 1HG2 THR 44 1.061 7.626 1.343 346 2HG2 THR 44 2HG2 THR 44 0.482 9.059 0.437 347 3HG2 THR 44 3HG2 THR 44 -0.562 7.631 0.608 348 H ILE 45 HN ILE 45 -0.003 4.637 1.387 349 HA ILE 45 HA ILE 45 -2.678 4.580 0.114 350 HB ILE 45 HB ILE 45 -1.696 2.620 2.225 351 1HG1 ILE 45 2HG1 ILE 45 -1.805 1.166 -0.054 352 2HG1 ILE 45 3HG1 ILE 45 -1.220 2.672 -0.736 353 1HG2 ILE 45 1HG2 ILE 45 -4.033 2.634 0.281 354 2HG2 ILE 45 2HG2 ILE 45 -3.611 1.245 1.233 355 3HG2 ILE 45 3HG2 ILE 45 -4.152 2.698 2.045 356 1HD1 ILE 45 1HD1 ILE 45 -0.020 1.039 1.517 357 2HD1 ILE 45 2HD1 ILE 45 0.548 1.167 -0.161 358 3HD1 ILE 45 3HD1 ILE 45 0.681 2.569 0.916 359 H VAL 46 HN VAL 46 -4.451 4.661 1.772 360 HA VAL 46 HA VAL 46 -3.689 6.185 4.170 361 HB VAL 46 HB VAL 46 -4.260 7.752 2.498 362 1HG1 VAL 46 1HG1 VAL 46 -5.768 6.596 1.241 363 2HG1 VAL 46 2HG1 VAL 46 -6.933 6.509 2.592 364 3HG1 VAL 46 3HG1 VAL 46 -6.563 8.077 1.826 365 1HG2 VAL 46 1HG2 VAL 46 -5.700 9.111 3.896 366 2HG2 VAL 46 2HG2 VAL 46 -6.369 7.657 4.655 367 3HG2 VAL 46 3HG2 VAL 46 -4.690 8.157 4.999 368 H TYR 47 HN TYR 47 -4.359 5.087 5.961 369 HA TYR 47 HA TYR 47 -6.885 3.643 6.044 370 1HB TYR 47 2HB TYR 47 -5.934 1.406 6.346 371 2HB TYR 47 3HB TYR 47 -5.508 2.050 4.775 372 HD1 TYR 47 1HD TYR 47 -4.156 1.156 8.116 373 HD2 TYR 47 2HD TYR 47 -3.250 2.475 4.119 374 HE1 TYR 47 1HE TYR 47 -1.845 0.359 8.364 375 HE2 TYR 47 2HE TYR 47 -1.030 1.399 4.284 376 HH TYR 47 HH TYR 47 -0.123 -0.713 6.923 377 H GLN 48 HN GLN 48 -6.772 2.149 8.280 378 HA GLN 48 HA GLN 48 -4.865 3.264 10.158 379 1HB GLN 48 2HB GLN 48 -7.907 3.407 10.321 380 2HB GLN 48 3HB GLN 48 -7.068 2.904 11.769 381 1HG GLN 48 2HG GLN 48 -5.508 4.909 11.316 382 2HG GLN 48 3HG GLN 48 -6.771 5.526 10.281 383 1HE2 GLN 48 2HE2 GLN 48 -5.587 5.524 13.495 384 2HE2 GLN 48 1HE2 GLN 48 -7.046 6.074 14.287 385 HA PRO 49 HA PRO 49 -4.380 -0.843 11.695 386 1HB PRO 49 2HB PRO 49 -3.479 -0.377 14.228 387 2HB PRO 49 3HB PRO 49 -2.496 -0.035 12.798 388 1HG PRO 49 2HG PRO 49 -4.177 1.913 14.378 389 2HG PRO 49 3HG PRO 49 -2.487 2.111 13.836 390 1HD PRO 49 2HD PRO 49 -4.592 3.164 12.482 391 2HD PRO 49 3HD PRO 49 -3.159 2.537 11.618 392 H HIS 50 HN HIS 50 -6.774 -0.895 11.438 393 HA HIS 50 HA HIS 50 -7.990 -1.679 14.013 394 1HB HIS 50 2HB HIS 50 -8.833 0.738 12.503 395 2HB HIS 50 3HB HIS 50 -10.143 -0.417 12.738 396 HD1 HIS 50 1HD HIS 50 -7.388 0.562 15.286 397 HD2 HIS 50 2HD HIS 50 -11.555 0.378 14.732 398 HE1 HIS 50 1HE HIS 50 -8.462 1.213 17.523 399 H LEU 51 HN LEU 51 -8.848 -1.210 10.538 400 HA LEU 51 HA LEU 51 -10.143 -3.859 10.535 401 1HB LEU 51 2HB LEU 51 -9.864 -1.594 8.580 402 2HB LEU 51 3HB LEU 51 -10.540 -3.154 8.084 403 HG LEU 51 HG LEU 51 -11.655 -1.614 10.449 404 1HD1 LEU 51 1HD1 LEU 51 -12.456 -1.354 7.525 405 2HD1 LEU 51 2HD1 LEU 51 -13.395 -0.735 8.899 406 3HD1 LEU 51 3HD1 LEU 51 -11.784 -0.083 8.578 407 1HD2 LEU 51 1HD2 LEU 51 -12.864 -3.695 8.565 408 2HD2 LEU 51 2HD2 LEU 51 -12.349 -3.998 10.237 409 3HD2 LEU 51 3HD2 LEU 51 -13.703 -2.910 9.915 410 H ILE 52 HN ILE 52 -7.038 -2.374 9.596 411 HA ILE 52 HA ILE 52 -6.182 -4.951 8.479 412 HB ILE 52 HB ILE 52 -6.446 -3.038 6.891 413 1HG1 ILE 52 2HG1 ILE 52 -4.351 -3.429 5.744 414 2HG1 ILE 52 3HG1 ILE 52 -3.597 -4.117 7.193 415 1HG2 ILE 52 1HG2 ILE 52 -4.015 -1.973 8.332 416 2HG2 ILE 52 2HG2 ILE 52 -4.795 -1.288 6.887 417 3HG2 ILE 52 3HG2 ILE 52 -5.661 -1.315 8.438 418 1HD1 ILE 52 1HD1 ILE 52 -6.121 -5.256 5.945 419 2HD1 ILE 52 2HD1 ILE 52 -4.494 -5.736 5.393 420 3HD1 ILE 52 3HD1 ILE 52 -4.993 -6.072 7.059 421 H SER 53 HN SER 53 -4.181 -5.748 9.207 422 HA SER 53 HA SER 53 -3.500 -4.890 11.868 423 1HB SER 53 2HB SER 53 -2.296 -6.969 10.166 424 2HB SER 53 3HB SER 53 -2.153 -6.855 11.926 425 HG SER 53 HG SER 53 -3.829 -8.332 11.368 426 H VAL 54 HN VAL 54 -2.853 -3.104 9.726 427 HA VAL 54 HA VAL 54 -1.422 -1.577 9.110 428 HB VAL 54 HB VAL 54 -0.674 -2.121 11.788 429 1HG1 VAL 54 1HG1 VAL 54 1.747 -1.500 10.050 430 2HG1 VAL 54 2HG1 VAL 54 1.668 -1.331 11.814 431 3HG1 VAL 54 3HG1 VAL 54 1.536 -2.937 11.092 432 1HG2 VAL 54 1HG2 VAL 54 -0.072 0.224 9.980 433 2HG2 VAL 54 2HG2 VAL 54 -1.614 -0.044 10.797 434 3HG2 VAL 54 3HG2 VAL 54 -0.149 0.260 11.758 435 H GLU 55 HN GLU 55 0.444 -4.437 9.826 436 HA GLU 55 HA GLU 55 2.259 -4.016 7.592 437 1HB GLU 55 2HB GLU 55 2.335 -5.362 10.051 438 2HB GLU 55 3HB GLU 55 2.237 -6.655 8.867 439 1HG GLU 55 2HG GLU 55 4.220 -5.624 7.670 440 2HG GLU 55 3HG GLU 55 4.200 -4.293 8.828 441 H GLU 56 HN GLU 56 -0.680 -5.949 8.280 442 HA GLU 56 HA GLU 56 -0.396 -7.827 6.252 443 1HB GLU 56 2HB GLU 56 -2.788 -6.537 7.594 444 2HB GLU 56 3HB GLU 56 -3.015 -7.641 6.234 445 1HG GLU 56 2HG GLU 56 -1.464 -8.343 8.740 446 2HG GLU 56 3HG GLU 56 -3.133 -8.845 8.403 447 H MET 57 HN MET 57 -1.936 -4.620 6.001 448 HA MET 57 HA MET 57 -2.690 -4.346 3.488 449 1HB MET 57 2HB MET 57 -1.908 -2.667 5.571 450 2HB MET 57 3HB MET 57 -0.769 -2.191 4.330 451 1HG MET 57 2HG MET 57 -3.666 -2.423 3.540 452 2HG MET 57 3HG MET 57 -3.248 -1.178 4.687 453 1HE MET 57 1HE MET 57 -1.549 -1.180 0.394 454 2HE MET 57 2HE MET 57 -0.782 -2.165 1.643 455 3HE MET 57 3HE MET 57 -2.444 -2.550 1.098 456 H LYS 58 HN LYS 58 0.792 -4.121 4.388 457 HA LYS 58 HA LYS 58 1.601 -3.965 1.598 458 1HB LYS 58 2HB LYS 58 2.859 -2.881 3.361 459 2HB LYS 58 3HB LYS 58 3.234 -4.425 4.140 460 1HG LYS 58 2HG LYS 58 3.929 -4.071 1.226 461 2HG LYS 58 3HG LYS 58 4.916 -3.198 2.371 462 1HD LYS 58 2HD LYS 58 4.391 -6.176 2.657 463 2HD LYS 58 3HD LYS 58 5.633 -5.558 1.604 464 1HE LYS 58 2HE LYS 58 6.394 -4.331 3.888 465 2HE LYS 58 3HE LYS 58 5.495 -5.636 4.607 466 1HZ LYS 58 1HZ LYS 58 7.668 -6.041 2.605 467 2HZ LYS 58 2HZ LYS 58 7.867 -6.209 4.235 468 3HZ LYS 58 3HZ LYS 58 6.869 -7.203 3.376 469 H LYS 59 HN LYS 59 1.523 -6.576 4.045 470 HA LYS 59 HA LYS 59 2.872 -8.540 2.448 471 1HB LYS 59 2HB LYS 59 1.093 -8.585 4.832 472 2HB LYS 59 3HB LYS 59 1.321 -10.082 3.934 473 1HG LYS 59 2HG LYS 59 2.881 -9.809 5.767 474 2HG LYS 59 3HG LYS 59 3.682 -10.058 4.216 475 1HD LYS 59 2HD LYS 59 4.500 -7.836 4.054 476 2HD LYS 59 3HD LYS 59 3.367 -7.204 5.234 477 1HE LYS 59 2HE LYS 59 5.667 -9.132 5.851 478 2HE LYS 59 3HE LYS 59 5.636 -7.395 6.190 479 1HZ LYS 59 1HZ LYS 59 4.024 -9.453 7.528 480 2HZ LYS 59 2HZ LYS 59 5.063 -8.323 8.158 481 3HZ LYS 59 3HZ LYS 59 3.654 -7.843 7.580 482 H GLN 60 HN GLN 60 -0.487 -7.375 2.322 483 HA GLN 60 HA GLN 60 -1.539 -9.517 0.773 484 1HB GLN 60 2HB GLN 60 -2.332 -6.598 0.734 485 2HB GLN 60 3HB GLN 60 -3.313 -7.968 0.250 486 1HG GLN 60 2HG GLN 60 -2.350 -8.405 2.952 487 2HG GLN 60 3HG GLN 60 -3.014 -6.768 2.838 488 1HE2 GLN 60 2HE2 GLN 60 -4.076 -9.874 1.297 489 2HE2 GLN 60 1HE2 GLN 60 -5.667 -9.826 2.040 490 H ILE 61 HN ILE 61 0.117 -6.519 0.031 491 HA ILE 61 HA ILE 61 0.091 -6.820 -2.872 492 HB ILE 61 HB ILE 61 1.685 -5.046 -1.058 493 1HG1 ILE 61 2HG1 ILE 61 0.485 -3.403 -2.756 494 2HG1 ILE 61 3HG1 ILE 61 -0.603 -4.740 -3.075 495 1HG2 ILE 61 1HG2 ILE 61 2.585 -3.988 -3.071 496 2HG2 ILE 61 2HG2 ILE 61 3.187 -5.641 -2.951 497 3HG2 ILE 61 3HG2 ILE 61 1.877 -5.262 -4.094 498 1HD1 ILE 61 1HD1 ILE 61 0.071 -3.650 -0.330 499 2HD1 ILE 61 2HD1 ILE 61 -1.324 -3.105 -1.278 500 3HD1 ILE 61 3HD1 ILE 61 -1.237 -4.789 -0.710 501 H GLU 62 HN GLU 62 2.493 -7.700 -0.308 502 HA GLU 62 HA GLU 62 4.599 -8.573 -1.938 503 1HB GLU 62 2HB GLU 62 3.722 -9.864 0.645 504 2HB GLU 62 3HB GLU 62 5.222 -10.117 -0.259 505 1HG GLU 62 2HG GLU 62 5.288 -7.455 -0.252 506 2HG GLU 62 3HG GLU 62 4.309 -7.654 1.178 507 H ALA 63 HN ALA 63 1.815 -10.290 -0.638 508 HA ALA 63 HA ALA 63 2.113 -12.810 -1.755 509 1HB ALA 63 1HB ALA 63 -0.232 -13.120 -1.022 510 2HB ALA 63 2HB ALA 63 0.733 -12.251 0.194 511 3HB ALA 63 3HB ALA 63 -0.394 -11.357 -0.841 512 H MET 64 HN MET 64 0.978 -9.915 -3.435 513 HA MET 64 HA MET 64 -0.546 -11.269 -5.484 514 1HB MET 64 2HB MET 64 1.118 -8.728 -5.671 515 2HB MET 64 3HB MET 64 -0.072 -9.281 -6.840 516 1HG MET 64 2HG MET 64 -0.708 -8.623 -3.956 517 2HG MET 64 3HG MET 64 -0.884 -7.474 -5.267 518 1HE MET 64 1HE MET 64 -2.857 -7.379 -6.888 519 2HE MET 64 2HE MET 64 -2.278 -8.905 -7.605 520 3HE MET 64 3HE MET 64 -3.991 -8.722 -7.162 521 H GLY 65 HN GLY 65 2.852 -10.840 -4.743 522 1HA GLY 65 1HA GLY 65 4.205 -12.768 -5.361 523 2HA GLY 65 2HA GLY 65 3.616 -12.643 -7.023 524 H PHE 66 HN PHE 66 4.752 -10.084 -4.753 525 HA PHE 66 HA PHE 66 7.123 -9.534 -6.438 526 1HB PHE 66 2HB PHE 66 4.841 -7.569 -5.979 527 2HB PHE 66 3HB PHE 66 6.450 -7.087 -6.487 528 HD1 PHE 66 1HD PHE 66 3.298 -8.617 -7.559 529 HD2 PHE 66 2HD PHE 66 7.413 -7.986 -8.647 530 HE1 PHE 66 1HE PHE 66 2.825 -9.438 -9.832 531 HE2 PHE 66 2HE PHE 66 6.921 -8.683 -10.958 532 HZ PHE 66 HZ PHE 66 4.620 -9.423 -11.572 533 HA PRO 67 HA PRO 67 8.088 -9.072 -2.043 534 1HB PRO 67 2HB PRO 67 10.698 -8.196 -2.181 535 2HB PRO 67 3HB PRO 67 10.231 -9.883 -2.541 536 1HG PRO 67 2HG PRO 67 10.686 -7.631 -4.516 537 2HG PRO 67 3HG PRO 67 11.351 -9.286 -4.581 538 1HD PRO 67 2HD PRO 67 9.133 -8.553 -5.974 539 2HD PRO 67 3HD PRO 67 9.245 -10.184 -5.244 540 H ALA 68 HN ALA 68 7.188 -7.376 -0.877 541 HA ALA 68 HA ALA 68 7.812 -4.608 -1.881 542 1HB ALA 68 1HB ALA 68 5.588 -3.951 -1.592 543 2HB ALA 68 2HB ALA 68 5.491 -5.530 -2.396 544 3HB ALA 68 3HB ALA 68 5.156 -5.382 -0.659 545 H PHE 69 HN PHE 69 7.075 -3.045 -0.027 546 HA PHE 69 HA PHE 69 8.050 -3.963 2.531 547 1HB PHE 69 2HB PHE 69 9.974 -3.001 0.634 548 2HB PHE 69 3HB PHE 69 9.838 -1.800 1.905 549 HD1 PHE 69 1HD PHE 69 11.242 -4.984 1.011 550 HD2 PHE 69 2HD PHE 69 9.942 -2.629 4.396 551 HE1 PHE 69 1HE PHE 69 12.467 -6.491 2.542 552 HE2 PHE 69 2HE PHE 69 11.086 -4.205 5.922 553 HZ PHE 69 HZ PHE 69 12.371 -6.126 5.001 554 H VAL 70 HN VAL 70 7.652 -2.590 4.252 555 HA VAL 70 HA VAL 70 5.953 -0.239 3.625 556 HB VAL 70 HB VAL 70 4.834 -2.393 4.447 557 1HG1 VAL 70 1HG1 VAL 70 6.443 -2.741 6.275 558 2HG1 VAL 70 2HG1 VAL 70 5.830 -1.245 7.031 559 3HG1 VAL 70 3HG1 VAL 70 4.746 -2.648 6.829 560 1HG2 VAL 70 1HG2 VAL 70 4.353 0.277 5.781 561 2HG2 VAL 70 2HG2 VAL 70 3.741 -0.222 4.186 562 3HG2 VAL 70 3HG2 VAL 70 3.179 -1.053 5.647 563 H LYS 71 HN LYS 71 6.678 1.612 4.483 564 HA LYS 71 HA LYS 71 9.213 1.525 5.950 565 1HB LYS 71 2HB LYS 71 7.594 3.943 5.132 566 2HB LYS 71 3HB LYS 71 9.250 3.900 5.783 567 1HG LYS 71 2HG LYS 71 9.800 2.291 3.818 568 2HG LYS 71 3HG LYS 71 8.223 2.734 3.167 569 1HD LYS 71 2HD LYS 71 9.345 4.355 2.101 570 2HD LYS 71 3HD LYS 71 9.194 5.217 3.644 571 1HE LYS 71 2HE LYS 71 11.465 4.401 4.310 572 2HE LYS 71 3HE LYS 71 11.575 3.470 2.807 573 1HZ LYS 71 1HZ LYS 71 11.457 6.400 2.997 574 2HZ LYS 71 2HZ LYS 71 12.758 5.488 2.584 575 3HZ LYS 71 3HZ LYS 71 11.451 5.550 1.587 576 H LYS 72 HN LYS 72 6.419 3.625 6.871 577 HA LYS 72 HA LYS 72 6.008 2.255 9.355 578 1HB LYS 72 2HB LYS 72 6.575 4.304 10.762 579 2HB LYS 72 3HB LYS 72 7.907 3.274 10.257 580 1HG LYS 72 2HG LYS 72 8.931 4.866 9.097 581 2HG LYS 72 3HG LYS 72 7.469 5.436 8.293 582 1HD LYS 72 2HD LYS 72 7.925 6.096 11.214 583 2HD LYS 72 3HD LYS 72 8.762 7.013 9.952 584 1HE LYS 72 2HE LYS 72 6.702 7.681 8.887 585 2HE LYS 72 3HE LYS 72 5.732 6.605 9.902 586 1HZ LYS 72 1HZ LYS 72 7.254 8.913 10.922 587 2HZ LYS 72 2HZ LYS 72 5.644 8.912 10.587 588 3HZ LYS 72 3HZ LYS 72 6.229 7.949 11.781 589 H ILE 73 HN ILE 73 4.060 2.886 10.351 590 HA ILE 73 HA ILE 73 2.525 5.134 9.355 591 HB ILE 73 HB ILE 73 1.956 3.503 7.880 592 1HG1 ILE 73 2HG1 ILE 73 0.119 4.671 8.705 593 2HG1 ILE 73 3HG1 ILE 73 -0.242 3.050 8.068 594 1HG2 ILE 73 1HG2 ILE 73 2.997 1.585 8.699 595 2HG2 ILE 73 2HG2 ILE 73 1.906 1.482 10.079 596 3HG2 ILE 73 3HG2 ILE 73 1.297 1.198 8.420 597 1HD1 ILE 73 1HD1 ILE 73 -0.581 4.077 10.826 598 2HD1 ILE 73 2HD1 ILE 73 -1.559 2.940 9.882 599 3HD1 ILE 73 3HD1 ILE 73 -0.034 2.406 10.629 600 H GLU 74 HN GLU 74 1.400 6.009 11.172 601 HA GLU 74 HA GLU 74 0.302 4.293 13.105 602 1HB GLU 74 2HB GLU 74 2.862 5.647 13.833 603 2HB GLU 74 3HB GLU 74 1.536 6.159 14.874 604 1HG GLU 74 2HG GLU 74 2.373 3.271 14.425 605 2HG GLU 74 3HG GLU 74 2.722 4.262 15.845 606 H GLY 75 HN GLY 75 -1.021 5.582 14.617 607 1HA GLY 75 1HA GLY 75 -2.772 7.411 13.324 608 2HA GLY 75 2HA GLY 75 -2.584 7.208 15.073 609 H ARG 76 HN ARG 76 -2.423 9.511 12.718 610 HA ARG 76 HA ARG 76 0.101 10.746 13.437 611 1HB ARG 76 2HB ARG 76 -1.197 10.802 11.119 612 2HB ARG 76 3HB ARG 76 -2.077 12.138 11.881 613 1HG ARG 76 2HG ARG 76 0.567 12.739 12.515 614 2HG ARG 76 3HG ARG 76 0.755 11.945 10.946 615 1HD ARG 76 2HD ARG 76 -0.833 13.607 9.969 616 2HD ARG 76 3HD ARG 76 -1.066 14.289 11.605 617 HE ARG 76 HE ARG 76 1.720 14.184 10.873 618 1HH1 ARG 76 1HH2 ARG 76 -1.192 16.097 10.401 619 2HH1 ARG 76 2HH2 ARG 76 -0.376 17.623 10.246 620 1HH2 ARG 76 1HH1 ARG 76 2.859 16.172 10.688 621 2HH2 ARG 76 2HH1 ARG 76 2.008 17.653 10.393 Start of MODEL 23 1 1H GLY 1 1H GLY 1 -6.790 7.985 12.532 2 2H GLY 1 2H GLY 1 -8.156 7.793 13.276 3 3H GLY 1 3H GLY 1 -7.816 6.743 12.070 4 1HA GLY 1 1HA GLY 1 -9.279 8.229 10.978 5 2HA GLY 1 2HA GLY 1 -8.425 9.594 11.729 6 H GLU 2 HN GLU 2 -8.532 7.584 8.964 7 HA GLU 2 HA GLU 2 -6.896 7.086 7.345 8 1HB GLU 2 2HB GLU 2 -8.167 9.811 7.253 9 2HB GLU 2 3HB GLU 2 -7.047 9.369 5.971 10 1HG GLU 2 2HG GLU 2 -8.267 7.302 5.510 11 2HG GLU 2 3HG GLU 2 -9.426 7.666 6.806 12 H VAL 3 HN VAL 3 -4.885 6.600 8.193 13 HA VAL 3 HA VAL 3 -2.927 8.792 8.502 14 HB VAL 3 HB VAL 3 -2.720 5.805 9.023 15 1HG1 VAL 3 1HG1 VAL 3 -0.937 8.135 9.864 16 2HG1 VAL 3 2HG1 VAL 3 -0.735 6.421 10.284 17 3HG1 VAL 3 3HG1 VAL 3 -0.550 6.932 8.610 18 1HG2 VAL 3 1HG2 VAL 3 -2.880 6.363 11.415 19 2HG2 VAL 3 2HG2 VAL 3 -3.254 8.055 11.000 20 3HG2 VAL 3 3HG2 VAL 3 -4.379 6.747 10.571 21 H VAL 4 HN VAL 4 -1.480 9.122 6.872 22 HA VAL 4 HA VAL 4 -1.620 7.626 4.395 23 HB VAL 4 HB VAL 4 -0.029 10.004 5.434 24 1HG1 VAL 4 1HG1 VAL 4 0.202 8.594 2.762 25 2HG1 VAL 4 2HG1 VAL 4 0.801 10.242 3.087 26 3HG1 VAL 4 3HG1 VAL 4 1.483 8.871 3.971 27 1HG2 VAL 4 1HG2 VAL 4 -1.316 11.210 3.700 28 2HG2 VAL 4 2HG2 VAL 4 -2.125 9.701 3.231 29 3HG2 VAL 4 3HG2 VAL 4 -2.410 10.407 4.837 30 H LEU 5 HN LEU 5 -0.222 6.080 3.764 31 HA LEU 5 HA LEU 5 2.164 5.421 5.438 32 1HB LEU 5 2HB LEU 5 0.400 3.890 5.922 33 2HB LEU 5 3HB LEU 5 -0.020 3.682 4.235 34 HG LEU 5 HG LEU 5 1.141 1.814 5.441 35 1HD1 LEU 5 1HD1 LEU 5 2.128 0.945 3.511 36 2HD1 LEU 5 2HD1 LEU 5 0.904 2.073 2.946 37 3HD1 LEU 5 3HD1 LEU 5 2.607 2.534 2.895 38 1HD2 LEU 5 1HD2 LEU 5 3.837 2.959 4.920 39 2HD2 LEU 5 2HD2 LEU 5 2.960 3.467 6.367 40 3HD2 LEU 5 3HD2 LEU 5 3.297 1.757 6.086 41 H LYS 6 HN LYS 6 3.969 4.846 4.251 42 HA LYS 6 HA LYS 6 3.856 5.028 1.280 43 1HB LYS 6 2HB LYS 6 5.350 6.654 3.134 44 2HB LYS 6 3HB LYS 6 6.470 5.583 2.311 45 1HG LYS 6 2HG LYS 6 4.798 6.449 0.212 46 2HG LYS 6 3HG LYS 6 4.879 7.875 1.241 47 1HD LYS 6 2HD LYS 6 7.288 6.222 0.393 48 2HD LYS 6 3HD LYS 6 6.493 7.332 -0.713 49 1HE LYS 6 2HE LYS 6 6.942 9.262 0.622 50 2HE LYS 6 3HE LYS 6 7.552 8.299 1.981 51 1HZ LYS 6 1HZ LYS 6 8.857 8.016 -0.621 52 2HZ LYS 6 2HZ LYS 6 9.199 9.372 0.285 53 3HZ LYS 6 3HZ LYS 6 9.480 7.843 0.840 54 H MET 7 HN MET 7 4.548 3.282 0.219 55 HA MET 7 HA MET 7 6.100 1.191 1.693 56 1HB MET 7 2HB MET 7 4.861 -0.437 0.262 57 2HB MET 7 3HB MET 7 3.866 0.338 1.514 58 1HG MET 7 2HG MET 7 2.744 1.705 -0.037 59 2HG MET 7 3HG MET 7 3.955 1.445 -1.283 60 1HE MET 7 1HE MET 7 1.133 -0.358 0.789 61 2HE MET 7 2HE MET 7 0.895 -1.808 -0.196 62 3HE MET 7 3HE MET 7 2.366 -1.594 0.776 63 H LYS 8 HN LYS 8 7.492 -0.030 0.422 64 HA LYS 8 HA LYS 8 8.246 1.093 -2.241 65 1HB LYS 8 2HB LYS 8 9.673 -0.518 -0.135 66 2HB LYS 8 3HB LYS 8 9.996 -0.935 -1.812 67 1HG LYS 8 2HG LYS 8 10.290 1.880 -0.699 68 2HG LYS 8 3HG LYS 8 11.593 0.685 -0.869 69 1HD LYS 8 2HD LYS 8 10.560 0.670 -3.427 70 2HD LYS 8 3HD LYS 8 10.146 2.315 -2.939 71 1HE LYS 8 2HE LYS 8 12.258 2.480 -3.998 72 2HE LYS 8 3HE LYS 8 12.597 2.616 -2.267 73 1HZ LYS 8 1HZ LYS 8 12.924 0.169 -3.936 74 2HZ LYS 8 2HZ LYS 8 14.149 1.069 -3.287 75 3HZ LYS 8 3HZ LYS 8 13.102 0.148 -2.381 76 H VAL 9 HN VAL 9 8.214 -0.328 -4.010 77 HA VAL 9 HA VAL 9 6.825 -2.924 -3.654 78 HB VAL 9 HB VAL 9 6.092 -1.210 -6.028 79 1HG1 VAL 9 1HG1 VAL 9 4.512 -3.193 -4.344 80 2HG1 VAL 9 2HG1 VAL 9 4.167 -2.663 -6.005 81 3HG1 VAL 9 3HG1 VAL 9 5.586 -3.681 -5.649 82 1HG2 VAL 9 1HG2 VAL 9 5.544 0.361 -4.269 83 2HG2 VAL 9 2HG2 VAL 9 4.064 -0.415 -4.844 84 3HG2 VAL 9 3HG2 VAL 9 4.777 -0.916 -3.301 85 H GLU 10 HN GLU 10 9.149 -3.480 -3.653 86 HA GLU 10 HA GLU 10 10.866 -2.751 -5.734 87 1HB GLU 10 2HB GLU 10 11.309 -5.208 -4.183 88 2HB GLU 10 3HB GLU 10 12.465 -4.136 -4.944 89 1HG GLU 10 2HG GLU 10 10.760 -3.353 -2.514 90 2HG GLU 10 3HG GLU 10 12.384 -3.994 -2.516 91 H GLY 11 HN GLY 11 10.599 -3.323 -7.890 92 1HA GLY 11 1HA GLY 11 11.074 -5.218 -9.378 93 2HA GLY 11 2HA GLY 11 9.868 -6.186 -8.538 94 H MET 12 HN MET 12 7.895 -3.859 -8.403 95 HA MET 12 HA MET 12 6.753 -4.237 -11.101 96 1HB MET 12 2HB MET 12 5.904 -2.536 -8.716 97 2HB MET 12 3HB MET 12 5.124 -2.503 -10.298 98 1HG MET 12 2HG MET 12 3.776 -3.796 -9.049 99 2HG MET 12 3HG MET 12 4.612 -4.936 -10.114 100 1HE MET 12 1HE MET 12 2.805 -5.106 -7.254 101 2HE MET 12 2HE MET 12 3.147 -6.493 -8.316 102 3HE MET 12 3HE MET 12 3.553 -6.567 -6.582 103 H THR 13 HN THR 13 7.885 -3.179 -12.747 104 HA THR 13 HA THR 13 7.956 -0.266 -12.659 105 HB THR 13 HB THR 13 9.942 -0.485 -11.451 106 HG1 THR 13 1HG THR 13 10.519 -0.141 -14.192 107 1HG2 THR 13 1HG2 THR 13 10.803 -2.560 -13.497 108 2HG2 THR 13 2HG2 THR 13 11.872 -1.814 -12.284 109 3HG2 THR 13 3HG2 THR 13 10.498 -2.803 -11.763 110 H CYS 14 HN CYS 14 6.336 -1.330 -14.289 111 HA CYS 14 HA CYS 14 7.480 -0.648 -16.871 112 1HB CYS 14 2HB CYS 14 8.117 -3.069 -16.681 113 2HB CYS 14 3HB CYS 14 6.390 -3.460 -16.616 114 HG CYS 14 HG CYS 14 7.404 -3.877 -19.010 115 H HIS 15 HN HIS 15 5.903 0.965 -16.162 116 HA HIS 15 HA HIS 15 3.689 1.664 -15.654 117 1HB HIS 15 2HB HIS 15 4.873 2.736 -17.515 118 2HB HIS 15 3HB HIS 15 4.049 1.662 -18.649 119 HD1 HIS 15 1HD HIS 15 1.165 1.850 -18.192 120 HD2 HIS 15 2HD HIS 15 3.716 5.050 -17.234 121 HE1 HIS 15 1HE HIS 15 -0.312 3.961 -18.058 122 H SER 16 HN SER 16 2.746 -0.444 -14.837 123 HA SER 16 HA SER 16 0.342 -1.133 -16.369 124 1HB SER 16 2HB SER 16 2.021 -2.536 -17.456 125 2HB SER 16 3HB SER 16 2.570 -3.159 -15.892 126 HG SER 16 HG SER 16 1.014 -4.507 -17.058 127 H CYS 17 HN CYS 17 2.296 -2.787 -13.842 128 HA CYS 17 HA CYS 17 0.067 -3.414 -12.213 129 1HB CYS 17 2HB CYS 17 3.059 -3.476 -11.760 130 2HB CYS 17 3HB CYS 17 1.899 -3.874 -10.476 131 HG CYS 17 HG CYS 17 2.737 -6.082 -11.460 132 H THR 18 HN THR 18 -0.940 -1.328 -12.232 133 HA THR 18 HA THR 18 -0.347 0.287 -9.790 134 HB THR 18 HB THR 18 -1.130 2.272 -11.238 135 HG1 THR 18 1HG THR 18 -0.680 0.375 -13.343 136 1HG2 THR 18 1HG2 THR 18 1.411 0.926 -12.200 137 2HG2 THR 18 2HG2 THR 18 0.997 2.641 -12.407 138 3HG2 THR 18 3HG2 THR 18 1.265 1.987 -10.780 139 H SER 19 HN SER 19 -2.840 0.729 -12.307 140 HA SER 19 HA SER 19 -4.797 1.002 -10.454 141 1HB SER 19 2HB SER 19 -5.367 -0.106 -13.240 142 2HB SER 19 3HB SER 19 -6.331 1.070 -12.316 143 HG SER 19 HG SER 19 -5.055 2.139 -13.887 144 H THR 20 HN THR 20 -3.917 -2.068 -11.883 145 HA THR 20 HA THR 20 -5.899 -3.645 -10.692 146 HB THR 20 HB THR 20 -2.899 -4.118 -11.115 147 HG1 THR 20 1HG THR 20 -3.764 -5.264 -12.931 148 1HG2 THR 20 1HG2 THR 20 -5.150 -5.990 -10.349 149 2HG2 THR 20 2HG2 THR 20 -3.573 -6.549 -10.984 150 3HG2 THR 20 3HG2 THR 20 -3.653 -5.663 -9.448 151 H ILE 21 HN ILE 21 -2.768 -2.601 -9.251 152 HA ILE 21 HA ILE 21 -3.230 -3.793 -6.693 153 HB ILE 21 HB ILE 21 -1.330 -1.750 -7.884 154 1HG1 ILE 21 2HG1 ILE 21 0.298 -3.429 -6.776 155 2HG1 ILE 21 3HG1 ILE 21 -1.081 -4.523 -6.655 156 1HG2 ILE 21 1HG2 ILE 21 -1.309 -2.360 -4.944 157 2HG2 ILE 21 2HG2 ILE 21 -0.172 -1.386 -5.930 158 3HG2 ILE 21 3HG2 ILE 21 -1.818 -0.811 -5.684 159 1HD1 ILE 21 1HD1 ILE 21 -0.009 -3.168 -9.152 160 2HD1 ILE 21 2HD1 ILE 21 0.328 -4.850 -8.686 161 3HD1 ILE 21 3HD1 ILE 21 -1.321 -4.378 -9.143 162 H GLU 22 HN GLU 22 -3.782 -0.486 -8.016 163 HA GLU 22 HA GLU 22 -4.589 0.660 -5.609 164 1HB GLU 22 2HB GLU 22 -5.424 1.422 -8.447 165 2HB GLU 22 3HB GLU 22 -5.716 2.380 -7.024 166 1HG GLU 22 2HG GLU 22 -3.156 2.237 -6.615 167 2HG GLU 22 3HG GLU 22 -3.034 1.704 -8.283 168 H GLY 23 HN GLY 23 -6.680 -0.209 -8.270 169 1HA GLY 23 1HA GLY 23 -9.211 -0.083 -7.135 170 2HA GLY 23 2HA GLY 23 -8.764 -1.178 -8.454 171 H LYS 24 HN LYS 24 -7.077 -3.030 -7.297 172 HA LYS 24 HA LYS 24 -8.846 -4.761 -5.938 173 1HB LYS 24 2HB LYS 24 -6.815 -5.565 -7.110 174 2HB LYS 24 3HB LYS 24 -5.795 -4.675 -5.969 175 1HG LYS 24 2HG LYS 24 -5.683 -6.921 -5.300 176 2HG LYS 24 3HG LYS 24 -6.683 -6.114 -4.107 177 1HD LYS 24 2HD LYS 24 -8.618 -6.985 -5.890 178 2HD LYS 24 3HD LYS 24 -7.356 -8.198 -6.145 179 1HE LYS 24 2HE LYS 24 -7.302 -8.462 -3.565 180 2HE LYS 24 3HE LYS 24 -8.741 -7.427 -3.525 181 1HZ LYS 24 1HZ LYS 24 -8.491 -10.046 -4.857 182 2HZ LYS 24 2HZ LYS 24 -9.343 -9.718 -3.493 183 3HZ LYS 24 3HZ LYS 24 -9.827 -9.087 -4.939 184 H ILE 25 HN ILE 25 -6.134 -2.761 -4.629 185 HA ILE 25 HA ILE 25 -6.637 -3.552 -1.952 186 HB ILE 25 HB ILE 25 -5.015 -1.424 -3.314 187 1HG1 ILE 25 2HG1 ILE 25 -4.197 -3.679 -3.650 188 2HG1 ILE 25 3HG1 ILE 25 -3.092 -2.670 -2.716 189 1HG2 ILE 25 1HG2 ILE 25 -5.181 -1.753 -0.362 190 2HG2 ILE 25 2HG2 ILE 25 -3.828 -0.985 -1.242 191 3HG2 ILE 25 3HG2 ILE 25 -5.455 -0.312 -1.386 192 1HD1 ILE 25 1HD1 ILE 25 -4.976 -4.829 -1.713 193 2HD1 ILE 25 2HD1 ILE 25 -3.218 -4.859 -1.701 194 3HD1 ILE 25 3HD1 ILE 25 -4.086 -3.718 -0.641 195 H GLY 26 HN GLY 26 -7.960 -0.982 -3.919 196 1HA GLY 26 1HA GLY 26 -9.241 0.590 -1.987 197 2HA GLY 26 2HA GLY 26 -9.838 0.246 -3.617 198 H LYS 27 HN LYS 27 -9.918 -2.894 -2.691 199 HA LYS 27 HA LYS 27 -12.643 -2.690 -1.703 200 1HB LYS 27 2HB LYS 27 -12.153 -4.049 -3.634 201 2HB LYS 27 3HB LYS 27 -10.871 -4.907 -2.760 202 1HG LYS 27 2HG LYS 27 -12.351 -5.849 -1.239 203 2HG LYS 27 3HG LYS 27 -13.714 -4.869 -1.837 204 1HD LYS 27 2HD LYS 27 -13.454 -6.057 -4.078 205 2HD LYS 27 3HD LYS 27 -12.231 -7.100 -3.317 206 1HE LYS 27 2HE LYS 27 -13.992 -7.780 -1.602 207 2HE LYS 27 3HE LYS 27 -15.174 -6.820 -2.505 208 1HZ LYS 27 1HZ LYS 27 -13.752 -9.199 -3.498 209 2HZ LYS 27 2HZ LYS 27 -15.338 -9.092 -3.102 210 3HZ LYS 27 3HZ LYS 27 -14.770 -8.272 -4.406 211 H LEU 28 HN LEU 28 -9.312 -3.061 -0.467 212 HA LEU 28 HA LEU 28 -9.909 -4.963 1.470 213 1HB LEU 28 2HB LEU 28 -7.752 -2.843 1.358 214 2HB LEU 28 3HB LEU 28 -7.829 -4.138 2.533 215 HG LEU 28 HG LEU 28 -6.480 -4.190 0.103 216 1HD1 LEU 28 1HD1 LEU 28 -5.889 -5.289 2.187 217 2HD1 LEU 28 2HD1 LEU 28 -7.294 -6.378 2.011 218 3HD1 LEU 28 3HD1 LEU 28 -5.933 -6.464 0.853 219 1HD2 LEU 28 1HD2 LEU 28 -8.506 -4.902 -1.134 220 2HD2 LEU 28 2HD2 LEU 28 -7.362 -6.235 -0.994 221 3HD2 LEU 28 3HD2 LEU 28 -8.779 -6.184 0.074 222 H GLN 29 HN GLN 29 -10.554 -4.864 3.435 223 HA GLN 29 HA GLN 29 -12.034 -2.697 4.516 224 1HB GLN 29 2HB GLN 29 -12.274 -4.056 6.489 225 2HB GLN 29 3HB GLN 29 -12.513 -4.984 5.006 226 1HG GLN 29 2HG GLN 29 -9.855 -5.415 5.379 227 2HG GLN 29 3HG GLN 29 -10.351 -5.156 7.048 228 1HE2 GLN 29 2HE2 GLN 29 -10.165 -7.448 4.481 229 2HE2 GLN 29 1HE2 GLN 29 -11.190 -8.672 5.207 230 H GLY 30 HN GLY 30 -11.131 -0.776 5.037 231 1HA GLY 30 1HA GLY 30 -10.011 0.282 6.980 232 2HA GLY 30 2HA GLY 30 -8.592 -0.726 6.650 233 H VAL 31 HN VAL 31 -9.160 -0.301 3.577 234 HA VAL 31 HA VAL 31 -7.422 2.042 3.492 235 HB VAL 31 HB VAL 31 -8.402 -0.135 1.618 236 1HG1 VAL 31 1HG1 VAL 31 -6.939 2.385 0.775 237 2HG1 VAL 31 2HG1 VAL 31 -7.077 0.900 -0.200 238 3HG1 VAL 31 3HG1 VAL 31 -8.535 1.794 0.230 239 1HG2 VAL 31 1HG2 VAL 31 -5.618 0.829 2.428 240 2HG2 VAL 31 2HG2 VAL 31 -6.461 -0.568 3.126 241 3HG2 VAL 31 3HG2 VAL 31 -5.986 -0.582 1.422 242 H GLN 32 HN GLN 32 -7.955 4.002 2.837 243 HA GLN 32 HA GLN 32 -10.775 4.561 2.046 244 1HB GLN 32 2HB GLN 32 -8.857 5.842 3.779 245 2HB GLN 32 3HB GLN 32 -9.722 6.985 2.741 246 1HG GLN 32 2HG GLN 32 -11.151 4.833 4.359 247 2HG GLN 32 3HG GLN 32 -10.707 6.371 5.081 248 1HE2 GLN 32 2HE2 GLN 32 -12.036 8.164 4.767 249 2HE2 GLN 32 1HE2 GLN 32 -13.485 8.085 3.769 250 H ARG 33 HN ARG 33 -7.327 5.386 1.257 251 HA ARG 33 HA ARG 33 -8.173 5.733 -1.543 252 1HB ARG 33 2HB ARG 33 -7.836 8.027 0.105 253 2HB ARG 33 3HB ARG 33 -6.286 7.839 -0.705 254 1HG ARG 33 2HG ARG 33 -7.439 9.173 -2.199 255 2HG ARG 33 3HG ARG 33 -7.712 7.571 -2.892 256 1HD ARG 33 2HD ARG 33 -9.816 7.894 -1.030 257 2HD ARG 33 3HD ARG 33 -9.640 9.510 -1.674 258 HE ARG 33 HE ARG 33 -10.850 7.232 -2.865 259 1HH1 ARG 33 1HH2 ARG 33 -8.782 9.910 -3.783 260 2HH1 ARG 33 2HH2 ARG 33 -9.288 9.981 -5.448 261 1HH2 ARG 33 1HH1 ARG 33 -11.629 7.317 -5.050 262 2HH2 ARG 33 2HH1 ARG 33 -10.971 8.461 -6.174 263 H ILE 34 HN ILE 34 -6.315 5.762 -3.018 264 HA ILE 34 HA ILE 34 -3.766 4.828 -1.948 265 HB ILE 34 HB ILE 34 -5.097 2.800 -2.288 266 1HG1 ILE 34 2HG1 ILE 34 -3.117 2.792 -4.549 267 2HG1 ILE 34 3HG1 ILE 34 -2.525 3.185 -2.950 268 1HG2 ILE 34 1HG2 ILE 34 -6.638 3.583 -4.073 269 2HG2 ILE 34 2HG2 ILE 34 -5.292 3.610 -5.223 270 3HG2 ILE 34 3HG2 ILE 34 -5.851 2.083 -4.538 271 1HD1 ILE 34 1HD1 ILE 34 -4.086 0.656 -3.534 272 2HD1 ILE 34 2HD1 ILE 34 -2.317 0.774 -3.402 273 3HD1 ILE 34 3HD1 ILE 34 -3.355 1.136 -2.006 274 H LYS 35 HN LYS 35 -2.008 5.269 -3.290 275 HA LYS 35 HA LYS 35 -2.406 6.300 -6.015 276 1HB LYS 35 2HB LYS 35 -0.853 7.769 -3.819 277 2HB LYS 35 3HB LYS 35 -0.754 8.078 -5.547 278 1HG LYS 35 2HG LYS 35 -2.215 9.692 -5.112 279 2HG LYS 35 3HG LYS 35 -3.413 8.409 -5.299 280 1HD LYS 35 2HD LYS 35 -3.511 8.140 -2.835 281 2HD LYS 35 3HD LYS 35 -2.156 9.270 -2.641 282 1HE LYS 35 2HE LYS 35 -3.536 11.085 -3.680 283 2HE LYS 35 3HE LYS 35 -4.906 9.966 -3.781 284 1HZ LYS 35 1HZ LYS 35 -3.569 10.843 -1.294 285 2HZ LYS 35 2HZ LYS 35 -5.009 11.398 -1.850 286 3HZ LYS 35 3HZ LYS 35 -4.864 9.831 -1.371 287 H VAL 36 HN VAL 36 -1.176 4.747 -7.081 288 HA VAL 36 HA VAL 36 1.418 3.848 -5.882 289 HB VAL 36 HB VAL 36 -0.287 2.758 -8.141 290 1HG1 VAL 36 1HG1 VAL 36 2.372 1.759 -7.013 291 2HG1 VAL 36 2HG1 VAL 36 1.324 0.834 -8.103 292 3HG1 VAL 36 3HG1 VAL 36 2.089 2.327 -8.661 293 1HG2 VAL 36 1HG2 VAL 36 -1.070 2.376 -5.740 294 2HG2 VAL 36 2HG2 VAL 36 -0.716 0.919 -6.680 295 3HG2 VAL 36 3HG2 VAL 36 0.441 1.501 -5.463 296 H SER 37 HN SER 37 3.339 4.887 -6.582 297 HA SER 37 HA SER 37 3.346 6.209 -9.198 298 1HB SER 37 2HB SER 37 4.780 6.472 -6.550 299 2HB SER 37 3HB SER 37 5.443 7.042 -8.051 300 HG SER 37 HG SER 37 4.179 8.686 -7.059 301 H LEU 38 HN LEU 38 3.568 4.267 -10.400 302 HA LEU 38 HA LEU 38 5.955 2.631 -10.177 303 1HB LEU 38 2HB LEU 38 3.914 3.217 -12.349 304 2HB LEU 38 3HB LEU 38 5.473 2.587 -12.841 305 HG LEU 38 HG LEU 38 3.466 1.163 -11.067 306 1HD1 LEU 38 1HD1 LEU 38 3.211 1.115 -13.541 307 2HD1 LEU 38 2HD1 LEU 38 4.841 0.414 -13.668 308 3HD1 LEU 38 3HD1 LEU 38 3.550 -0.481 -12.834 309 1HD2 LEU 38 1HD2 LEU 38 5.410 0.460 -9.984 310 2HD2 LEU 38 2HD2 LEU 38 5.336 -0.669 -11.344 311 3HD2 LEU 38 3HD2 LEU 38 6.423 0.722 -11.423 312 H ASP 39 HN ASP 39 7.486 2.813 -12.221 313 HA ASP 39 HA ASP 39 9.399 3.686 -12.914 314 1HB ASP 39 2HB ASP 39 7.967 6.347 -12.637 315 2HB ASP 39 3HB ASP 39 9.602 6.139 -13.212 316 H ASN 40 HN ASN 40 8.174 6.057 -10.555 317 HA ASN 40 HA ASN 40 10.669 6.409 -9.434 318 1HB ASN 40 2HB ASN 40 8.230 7.668 -9.020 319 2HB ASN 40 3HB ASN 40 8.400 6.823 -7.503 320 1HD2 ASN 40 2HD2 ASN 40 10.630 7.067 -6.382 321 2HD2 ASN 40 1HD2 ASN 40 11.314 8.688 -6.469 322 H GLN 41 HN GLN 41 8.152 4.132 -8.960 323 HA GLN 41 HA GLN 41 7.900 2.190 -8.088 324 1HB GLN 41 2HB GLN 41 10.335 2.021 -9.002 325 2HB GLN 41 3HB GLN 41 10.819 2.056 -7.302 326 1HG GLN 41 2HG GLN 41 8.645 0.270 -7.303 327 2HG GLN 41 3HG GLN 41 9.294 0.063 -8.917 328 1HE2 GLN 41 2HE2 GLN 41 10.497 0.654 -5.634 329 2HE2 GLN 41 1HE2 GLN 41 11.586 -0.754 -5.502 330 H GLU 42 HN GLU 42 6.924 3.902 -6.660 331 HA GLU 42 HA GLU 42 7.386 3.312 -3.773 332 1HB GLU 42 2HB GLU 42 8.553 5.525 -4.671 333 2HB GLU 42 3HB GLU 42 6.911 6.085 -4.881 334 1HG GLU 42 2HG GLU 42 7.265 6.908 -2.830 335 2HG GLU 42 3HG GLU 42 6.594 5.356 -2.333 336 H ALA 43 HN ALA 43 5.270 3.417 -2.636 337 HA ALA 43 HA ALA 43 2.979 4.493 -4.202 338 1HB ALA 43 1HB ALA 43 3.104 1.619 -3.242 339 2HB ALA 43 2HB ALA 43 1.607 2.473 -3.667 340 3HB ALA 43 3HB ALA 43 2.884 2.213 -4.877 341 H THR 44 HN THR 44 1.069 4.951 -2.830 342 HA THR 44 HA THR 44 1.648 5.007 0.004 343 HB THR 44 HB THR 44 1.852 7.358 -1.755 344 HG1 THR 44 1HG THR 44 2.242 6.768 0.995 345 1HG2 THR 44 1HG2 THR 44 -0.061 7.606 0.598 346 2HG2 THR 44 2HG2 THR 44 0.666 8.948 -0.309 347 3HG2 THR 44 3HG2 THR 44 -0.472 7.863 -1.119 348 H ILE 45 HN ILE 45 -0.123 4.754 1.217 349 HA ILE 45 HA ILE 45 -2.732 4.852 -0.122 350 HB ILE 45 HB ILE 45 -1.915 2.726 1.903 351 1HG1 ILE 45 2HG1 ILE 45 -1.911 1.291 -0.300 352 2HG1 ILE 45 3HG1 ILE 45 -1.428 2.785 -1.072 353 1HG2 ILE 45 1HG2 ILE 45 -3.793 1.459 0.855 354 2HG2 ILE 45 2HG2 ILE 45 -4.358 2.952 1.583 355 3HG2 ILE 45 3HG2 ILE 45 -4.128 2.838 -0.182 356 1HD1 ILE 45 1HD1 ILE 45 -0.177 1.261 1.212 357 2HD1 ILE 45 2HD1 ILE 45 0.437 1.414 -0.462 358 3HD1 ILE 45 3HD1 ILE 45 0.528 2.788 0.643 359 H VAL 46 HN VAL 46 -4.526 4.942 1.601 360 HA VAL 46 HA VAL 46 -3.604 6.219 4.090 361 HB VAL 46 HB VAL 46 -4.230 7.924 2.422 362 1HG1 VAL 46 1HG1 VAL 46 -6.552 8.444 2.166 363 2HG1 VAL 46 2HG1 VAL 46 -6.081 6.837 1.547 364 3HG1 VAL 46 3HG1 VAL 46 -6.981 6.980 3.091 365 1HG2 VAL 46 1HG2 VAL 46 -5.451 9.256 4.174 366 2HG2 VAL 46 2HG2 VAL 46 -5.628 7.754 5.118 367 3HG2 VAL 46 3HG2 VAL 46 -4.018 8.440 4.812 368 H TYR 47 HN TYR 47 -4.288 5.128 5.799 369 HA TYR 47 HA TYR 47 -6.842 3.771 5.896 370 1HB TYR 47 2HB TYR 47 -5.981 1.497 6.061 371 2HB TYR 47 3HB TYR 47 -5.545 2.187 4.510 372 HD1 TYR 47 1HD TYR 47 -4.212 1.136 7.811 373 HD2 TYR 47 2HD TYR 47 -3.276 2.531 3.844 374 HE1 TYR 47 1HE TYR 47 -1.979 0.151 7.994 375 HE2 TYR 47 2HE TYR 47 -1.062 1.426 3.993 376 HH TYR 47 HH TYR 47 -0.224 -0.817 6.598 377 H GLN 48 HN GLN 48 -6.749 2.255 8.085 378 HA GLN 48 HA GLN 48 -4.958 3.489 10.039 379 1HB GLN 48 2HB GLN 48 -6.697 4.781 10.576 380 2HB GLN 48 3HB GLN 48 -7.881 3.837 9.687 381 1HG GLN 48 2HG GLN 48 -8.219 2.286 11.406 382 2HG GLN 48 3HG GLN 48 -6.847 2.893 12.333 383 1HE2 GLN 48 2HE2 GLN 48 -8.932 2.836 13.931 384 2HE2 GLN 48 1HE2 GLN 48 -9.682 4.410 14.082 385 HA PRO 49 HA PRO 49 -4.337 -0.579 11.603 386 1HB PRO 49 2HB PRO 49 -3.445 -0.004 14.124 387 2HB PRO 49 3HB PRO 49 -2.479 0.358 12.684 388 1HG PRO 49 2HG PRO 49 -4.269 2.270 14.182 389 2HG PRO 49 3HG PRO 49 -2.567 2.512 13.693 390 1HD PRO 49 2HD PRO 49 -4.590 3.480 12.214 391 2HD PRO 49 3HD PRO 49 -3.168 2.755 11.411 392 H HIS 50 HN HIS 50 -6.707 -0.841 11.393 393 HA HIS 50 HA HIS 50 -7.752 -1.626 13.995 394 1HB HIS 50 2HB HIS 50 -8.402 0.920 13.401 395 2HB HIS 50 3HB HIS 50 -9.687 0.143 12.481 396 HD1 HIS 50 1HD HIS 50 -8.199 0.120 16.057 397 HD2 HIS 50 2HD HIS 50 -11.798 -0.512 13.966 398 HE1 HIS 50 1HE HIS 50 -10.031 -0.199 17.823 399 H LEU 51 HN LEU 51 -8.715 -1.021 10.596 400 HA LEU 51 HA LEU 51 -10.177 -3.585 10.514 401 1HB LEU 51 2HB LEU 51 -9.770 -1.314 8.586 402 2HB LEU 51 3HB LEU 51 -10.595 -2.813 8.124 403 HG LEU 51 HG LEU 51 -11.507 -1.218 10.525 404 1HD1 LEU 51 1HD1 LEU 51 -11.562 0.365 8.684 405 2HD1 LEU 51 2HD1 LEU 51 -12.366 -0.826 7.632 406 3HD1 LEU 51 3HD1 LEU 51 -13.210 -0.160 9.045 407 1HD2 LEU 51 1HD2 LEU 51 -12.960 -3.125 8.633 408 2HD2 LEU 51 2HD2 LEU 51 -12.396 -3.540 10.263 409 3HD2 LEU 51 3HD2 LEU 51 -13.663 -2.327 10.050 410 H ILE 52 HN ILE 52 -6.995 -2.226 9.522 411 HA ILE 52 HA ILE 52 -6.357 -4.796 8.218 412 HB ILE 52 HB ILE 52 -6.568 -2.759 6.776 413 1HG1 ILE 52 2HG1 ILE 52 -4.471 -3.177 5.569 414 2HG1 ILE 52 3HG1 ILE 52 -3.857 -4.162 6.898 415 1HG2 ILE 52 1HG2 ILE 52 -4.835 -1.136 6.797 416 2HG2 ILE 52 2HG2 ILE 52 -5.586 -1.200 8.408 417 3HG2 ILE 52 3HG2 ILE 52 -4.001 -1.959 8.138 418 1HD1 ILE 52 1HD1 ILE 52 -6.519 -4.702 5.511 419 2HD1 ILE 52 2HD1 ILE 52 -4.986 -5.358 4.890 420 3HD1 ILE 52 3HD1 ILE 52 -5.559 -5.816 6.509 421 H SER 53 HN SER 53 -4.442 -5.817 8.863 422 HA SER 53 HA SER 53 -3.608 -5.155 11.533 423 1HB SER 53 2HB SER 53 -2.535 -7.156 9.640 424 2HB SER 53 3HB SER 53 -2.149 -7.100 11.365 425 HG SER 53 HG SER 53 -4.605 -7.691 10.102 426 H VAL 54 HN VAL 54 -2.923 -3.267 9.342 427 HA VAL 54 HA VAL 54 -1.440 -1.654 9.013 428 HB VAL 54 HB VAL 54 -0.764 -2.560 11.618 429 1HG1 VAL 54 1HG1 VAL 54 1.701 -1.811 9.993 430 2HG1 VAL 54 2HG1 VAL 54 1.604 -1.804 11.764 431 3HG1 VAL 54 3HG1 VAL 54 1.447 -3.329 10.893 432 1HG2 VAL 54 1HG2 VAL 54 -1.636 -0.360 10.830 433 2HG2 VAL 54 2HG2 VAL 54 -0.258 -0.241 11.958 434 3HG2 VAL 54 3HG2 VAL 54 -0.016 -0.008 10.220 435 H GLU 55 HN GLU 55 0.344 -4.609 9.524 436 HA GLU 55 HA GLU 55 2.138 -4.169 7.297 437 1HB GLU 55 2HB GLU 55 2.123 -5.702 9.653 438 2HB GLU 55 3HB GLU 55 1.910 -6.888 8.368 439 1HG GLU 55 2HG GLU 55 4.296 -6.612 8.761 440 2HG GLU 55 3HG GLU 55 3.916 -5.831 7.210 441 H GLU 56 HN GLU 56 -0.796 -6.081 7.929 442 HA GLU 56 HA GLU 56 -0.934 -7.892 5.887 443 1HB GLU 56 2HB GLU 56 -2.924 -6.232 7.350 444 2HB GLU 56 3HB GLU 56 -3.465 -6.813 5.777 445 1HG GLU 56 2HG GLU 56 -3.004 -9.111 6.332 446 2HG GLU 56 3HG GLU 56 -2.476 -8.650 7.958 447 H MET 57 HN MET 57 -2.108 -4.534 5.590 448 HA MET 57 HA MET 57 -2.812 -4.216 3.066 449 1HB MET 57 2HB MET 57 -2.075 -2.589 5.186 450 2HB MET 57 3HB MET 57 -0.875 -2.111 3.994 451 1HG MET 57 2HG MET 57 -3.798 -2.262 3.221 452 2HG MET 57 3HG MET 57 -3.269 -0.972 4.274 453 1HE MET 57 1HE MET 57 -1.729 -1.210 -0.059 454 2HE MET 57 2HE MET 57 -0.921 -2.129 1.213 455 3HE MET 57 3HE MET 57 -2.596 -2.542 0.745 456 H LYS 58 HN LYS 58 0.659 -4.150 4.052 457 HA LYS 58 HA LYS 58 1.524 -4.022 1.276 458 1HB LYS 58 2HB LYS 58 2.827 -2.970 3.109 459 2HB LYS 58 3HB LYS 58 2.997 -4.532 3.899 460 1HG LYS 58 2HG LYS 58 5.043 -4.202 2.937 461 2HG LYS 58 3HG LYS 58 4.324 -5.347 1.854 462 1HD LYS 58 2HD LYS 58 4.344 -2.329 1.381 463 2HD LYS 58 3HD LYS 58 5.627 -3.406 0.878 464 1HE LYS 58 2HE LYS 58 4.174 -4.704 -0.567 465 2HE LYS 58 3HE LYS 58 2.841 -3.605 -0.258 466 1HZ LYS 58 1HZ LYS 58 5.376 -2.594 -1.342 467 2HZ LYS 58 2HZ LYS 58 4.109 -3.104 -2.268 468 3HZ LYS 58 3HZ LYS 58 3.939 -1.851 -1.232 469 H LYS 59 HN LYS 59 1.423 -6.511 3.834 470 HA LYS 59 HA LYS 59 2.901 -8.456 2.392 471 1HB LYS 59 2HB LYS 59 1.026 -8.501 4.731 472 2HB LYS 59 3HB LYS 59 1.416 -10.034 3.945 473 1HG LYS 59 2HG LYS 59 2.951 -9.550 5.796 474 2HG LYS 59 3HG LYS 59 3.760 -9.738 4.234 475 1HD LYS 59 2HD LYS 59 4.011 -7.213 4.076 476 2HD LYS 59 3HD LYS 59 3.109 -7.076 5.577 477 1HE LYS 59 2HE LYS 59 5.499 -6.829 5.998 478 2HE LYS 59 3HE LYS 59 4.915 -8.306 6.789 479 1HZ LYS 59 1HZ LYS 59 6.308 -8.071 4.202 480 2HZ LYS 59 2HZ LYS 59 7.007 -8.643 5.582 481 3HZ LYS 59 3HZ LYS 59 5.822 -9.476 4.757 482 H GLN 60 HN GLN 60 -0.487 -7.521 2.036 483 HA GLN 60 HA GLN 60 -1.390 -9.756 0.515 484 1HB GLN 60 2HB GLN 60 -2.136 -6.832 0.293 485 2HB GLN 60 3HB GLN 60 -3.070 -8.188 -0.305 486 1HG GLN 60 2HG GLN 60 -2.427 -8.498 2.544 487 2HG GLN 60 3HG GLN 60 -3.166 -6.919 2.234 488 1HE2 GLN 60 2HE2 GLN 60 -4.559 -8.382 3.951 489 2HE2 GLN 60 1HE2 GLN 60 -5.934 -9.126 3.182 490 H ILE 61 HN ILE 61 0.225 -6.741 -0.273 491 HA ILE 61 HA ILE 61 0.408 -7.178 -3.144 492 HB ILE 61 HB ILE 61 1.772 -5.249 -1.329 493 1HG1 ILE 61 2HG1 ILE 61 0.544 -3.751 -3.188 494 2HG1 ILE 61 3HG1 ILE 61 -0.482 -5.164 -3.370 495 1HG2 ILE 61 1HG2 ILE 61 2.674 -4.188 -3.395 496 2HG2 ILE 61 2HG2 ILE 61 3.433 -5.745 -3.062 497 3HG2 ILE 61 3HG2 ILE 61 2.178 -5.617 -4.323 498 1HD1 ILE 61 1HD1 ILE 61 0.166 -3.828 -0.719 499 2HD1 ILE 61 2HD1 ILE 61 -1.251 -3.422 -1.693 500 3HD1 ILE 61 3HD1 ILE 61 -1.079 -5.059 -1.019 501 H GLU 62 HN GLU 62 2.661 -7.784 -0.397 502 HA GLU 62 HA GLU 62 4.925 -8.580 -1.879 503 1HB GLU 62 2HB GLU 62 3.908 -9.712 0.743 504 2HB GLU 62 3HB GLU 62 5.491 -10.024 0.037 505 1HG GLU 62 2HG GLU 62 6.092 -7.675 0.121 506 2HG GLU 62 3HG GLU 62 4.477 -7.235 0.692 507 H ALA 63 HN ALA 63 2.198 -10.422 -0.603 508 HA ALA 63 HA ALA 63 2.728 -12.955 -1.627 509 1HB ALA 63 1HB ALA 63 0.093 -11.659 -0.858 510 2HB ALA 63 2HB ALA 63 0.382 -13.410 -0.989 511 3HB ALA 63 3HB ALA 63 1.231 -12.452 0.248 512 H MET 64 HN MET 64 1.463 -10.197 -3.447 513 HA MET 64 HA MET 64 0.106 -11.695 -5.499 514 1HB MET 64 2HB MET 64 1.698 -9.106 -5.712 515 2HB MET 64 3HB MET 64 0.641 -9.763 -6.947 516 1HG MET 64 2HG MET 64 -0.295 -9.021 -4.169 517 2HG MET 64 3HG MET 64 -0.375 -7.926 -5.541 518 1HE MET 64 1HE MET 64 -3.194 -9.460 -7.712 519 2HE MET 64 2HE MET 64 -2.048 -8.116 -7.492 520 3HE MET 64 3HE MET 64 -1.455 -9.738 -7.936 521 H GLY 65 HN GLY 65 3.461 -11.151 -4.644 522 1HA GLY 65 1HA GLY 65 4.879 -13.084 -5.161 523 2HA GLY 65 2HA GLY 65 4.345 -13.009 -6.846 524 H PHE 66 HN PHE 66 5.383 -10.446 -4.535 525 HA PHE 66 HA PHE 66 7.700 -9.756 -6.278 526 1HB PHE 66 2HB PHE 66 5.329 -7.978 -5.693 527 2HB PHE 66 3HB PHE 66 6.917 -7.345 -6.111 528 HD1 PHE 66 1HD PHE 66 3.941 -9.057 -7.464 529 HD2 PHE 66 2HD PHE 66 8.011 -7.880 -8.262 530 HE1 PHE 66 1HE PHE 66 3.538 -9.301 -9.897 531 HE2 PHE 66 2HE PHE 66 7.654 -8.269 -10.662 532 HZ PHE 66 HZ PHE 66 5.393 -8.917 -11.513 533 HA PRO 67 HA PRO 67 8.766 -9.452 -1.877 534 1HB PRO 67 2HB PRO 67 11.450 -8.915 -2.036 535 2HB PRO 67 3HB PRO 67 10.744 -10.508 -2.432 536 1HG PRO 67 2HG PRO 67 11.477 -8.273 -4.358 537 2HG PRO 67 3HG PRO 67 11.925 -9.997 -4.481 538 1HD PRO 67 2HD PRO 67 9.792 -8.924 -5.809 539 2HD PRO 67 3HD PRO 67 9.728 -10.593 -5.160 540 H ALA 68 HN ALA 68 7.638 -7.632 -1.141 541 HA ALA 68 HA ALA 68 8.764 -4.947 -1.828 542 1HB ALA 68 1HB ALA 68 6.453 -4.221 -1.627 543 2HB ALA 68 2HB ALA 68 6.614 -5.476 -2.869 544 3HB ALA 68 3HB ALA 68 5.933 -5.894 -1.289 545 H PHE 69 HN PHE 69 7.596 -3.399 0.063 546 HA PHE 69 HA PHE 69 7.819 -4.522 2.643 547 1HB PHE 69 2HB PHE 69 10.297 -3.522 1.403 548 2HB PHE 69 3HB PHE 69 9.896 -2.549 2.801 549 HD1 PHE 69 1HD PHE 69 11.164 -5.769 1.689 550 HD2 PHE 69 2HD PHE 69 9.538 -3.629 5.071 551 HE1 PHE 69 1HE PHE 69 12.071 -7.490 3.218 552 HE2 PHE 69 2HE PHE 69 10.412 -5.377 6.589 553 HZ PHE 69 HZ PHE 69 11.696 -7.304 5.672 554 H VAL 70 HN VAL 70 7.103 -3.225 4.247 555 HA VAL 70 HA VAL 70 6.027 -0.573 3.476 556 HB VAL 70 HB VAL 70 4.771 -2.717 4.792 557 1HG1 VAL 70 1HG1 VAL 70 4.161 -1.822 6.963 558 2HG1 VAL 70 2HG1 VAL 70 5.912 -2.091 6.907 559 3HG1 VAL 70 3HG1 VAL 70 5.255 -0.441 6.737 560 1HG2 VAL 70 1HG2 VAL 70 3.723 -0.970 3.408 561 2HG2 VAL 70 2HG2 VAL 70 2.934 -1.064 4.994 562 3HG2 VAL 70 3HG2 VAL 70 4.094 0.239 4.640 563 H LYS 71 HN LYS 71 6.635 1.150 4.535 564 HA LYS 71 HA LYS 71 9.157 1.097 6.077 565 1HB LYS 71 2HB LYS 71 7.411 3.327 4.995 566 2HB LYS 71 3HB LYS 71 8.850 3.626 5.983 567 1HG LYS 71 2HG LYS 71 10.324 2.789 4.402 568 2HG LYS 71 3HG LYS 71 9.101 1.800 3.589 569 1HD LYS 71 2HD LYS 71 7.981 3.727 2.684 570 2HD LYS 71 3HD LYS 71 9.068 4.852 3.500 571 1HE LYS 71 2HE LYS 71 9.917 2.744 1.438 572 2HE LYS 71 3HE LYS 71 9.515 4.407 1.005 573 1HZ LYS 71 1HZ LYS 71 11.720 3.589 2.783 574 2HZ LYS 71 2HZ LYS 71 11.851 4.150 1.241 575 3HZ LYS 71 3HZ LYS 71 11.315 5.145 2.432 576 H LYS 72 HN LYS 72 6.462 3.315 6.914 577 HA LYS 72 HA LYS 72 5.859 1.848 9.324 578 1HB LYS 72 2HB LYS 72 7.678 4.195 9.352 579 2HB LYS 72 3HB LYS 72 6.308 4.392 10.423 580 1HG LYS 72 2HG LYS 72 7.943 1.831 10.600 581 2HG LYS 72 3HG LYS 72 8.547 3.345 11.250 582 1HD LYS 72 2HD LYS 72 7.555 2.473 13.107 583 2HD LYS 72 3HD LYS 72 6.333 3.590 12.538 584 1HE LYS 72 2HE LYS 72 5.607 1.119 11.327 585 2HE LYS 72 3HE LYS 72 6.327 0.636 12.852 586 1HZ LYS 72 1HZ LYS 72 3.963 2.404 12.523 587 2HZ LYS 72 2HZ LYS 72 4.048 0.941 13.211 588 3HZ LYS 72 3HZ LYS 72 4.747 2.208 13.946 589 H ILE 73 HN ILE 73 3.946 2.354 10.127 590 HA ILE 73 HA ILE 73 2.217 4.476 9.032 591 HB ILE 73 HB ILE 73 1.406 2.782 7.757 592 1HG1 ILE 73 2HG1 ILE 73 -0.528 1.686 8.842 593 2HG1 ILE 73 3HG1 ILE 73 -0.066 2.409 10.380 594 1HG2 ILE 73 1HG2 ILE 73 1.333 0.400 8.381 595 2HG2 ILE 73 2HG2 ILE 73 2.957 1.067 8.335 596 3HG2 ILE 73 3HG2 ILE 73 2.166 0.812 9.906 597 1HD1 ILE 73 1HD1 ILE 73 -0.934 3.764 7.793 598 2HD1 ILE 73 2HD1 ILE 73 -1.734 3.790 9.375 599 3HD1 ILE 73 3HD1 ILE 73 -0.189 4.648 9.137 600 H GLU 74 HN GLU 74 1.375 5.567 10.893 601 HA GLU 74 HA GLU 74 0.308 4.066 13.001 602 1HB GLU 74 2HB GLU 74 3.087 5.016 13.410 603 2HB GLU 74 3HB GLU 74 2.020 5.854 14.523 604 1HG GLU 74 2HG GLU 74 1.237 3.816 15.505 605 2HG GLU 74 3HG GLU 74 2.025 2.823 14.270 606 H GLY 75 HN GLY 75 -1.038 5.330 14.396 607 1HA GLY 75 1HA GLY 75 -1.127 8.068 14.615 608 2HA GLY 75 2HA GLY 75 -2.146 7.697 13.208 609 H ARG 76 HN ARG 76 -4.086 8.291 14.396 610 HA ARG 76 HA ARG 76 -5.269 6.112 15.809 611 1HB ARG 76 2HB ARG 76 -4.242 7.652 17.605 612 2HB ARG 76 3HB ARG 76 -5.371 8.904 17.038 613 1HG ARG 76 2HG ARG 76 -7.264 7.407 17.548 614 2HG ARG 76 3HG ARG 76 -6.161 6.136 18.085 615 1HD ARG 76 2HD ARG 76 -6.105 8.890 19.412 616 2HD ARG 76 3HD ARG 76 -7.346 7.723 19.809 617 HE ARG 76 HE ARG 76 -5.921 6.320 20.864 618 1HH1 ARG 76 1HH2 ARG 76 -3.987 8.844 19.348 619 2HH1 ARG 76 2HH2 ARG 76 -2.581 8.587 20.334 620 1HH2 ARG 76 1HH1 ARG 76 -4.099 5.968 22.215 621 2HH2 ARG 76 2HH1 ARG 76 -2.652 6.894 21.995 Start of MODEL 24 1 1H GLY 1 1H GLY 1 -10.793 7.913 9.462 2 2H GLY 1 2H GLY 1 -11.634 9.200 10.102 3 3H GLY 1 3H GLY 1 -10.622 9.349 8.798 4 1HA GLY 1 1HA GLY 1 -9.318 10.193 10.538 5 2HA GLY 1 2HA GLY 1 -9.915 8.909 11.605 6 H GLU 2 HN GLU 2 -8.517 8.788 8.256 7 HA GLU 2 HA GLU 2 -6.848 6.509 9.109 8 1HB GLU 2 2HB GLU 2 -7.761 7.584 6.406 9 2HB GLU 2 3HB GLU 2 -6.600 6.279 6.619 10 1HG GLU 2 2HG GLU 2 -8.530 5.055 6.355 11 2HG GLU 2 3HG GLU 2 -8.447 5.169 8.108 12 H VAL 3 HN VAL 3 -4.669 6.347 8.264 13 HA VAL 3 HA VAL 3 -3.245 8.953 8.138 14 HB VAL 3 HB VAL 3 -2.345 6.430 9.586 15 1HG1 VAL 3 1HG1 VAL 3 -0.436 7.696 8.895 16 2HG1 VAL 3 2HG1 VAL 3 -1.206 9.245 9.334 17 3HG1 VAL 3 3HG1 VAL 3 -0.685 8.119 10.586 18 1HG2 VAL 3 1HG2 VAL 3 -2.754 7.762 11.677 19 2HG2 VAL 3 2HG2 VAL 3 -3.612 8.964 10.695 20 3HG2 VAL 3 3HG2 VAL 3 -4.221 7.294 10.830 21 H VAL 4 HN VAL 4 -1.320 8.897 6.929 22 HA VAL 4 HA VAL 4 -1.503 7.263 4.590 23 HB VAL 4 HB VAL 4 -0.977 9.812 4.929 24 1HG1 VAL 4 1HG1 VAL 4 1.757 8.551 4.687 25 2HG1 VAL 4 2HG1 VAL 4 1.381 10.293 4.714 26 3HG1 VAL 4 3HG1 VAL 4 1.120 9.302 6.176 27 1HG2 VAL 4 1HG2 VAL 4 0.021 9.774 2.671 28 2HG2 VAL 4 2HG2 VAL 4 0.187 8.002 2.805 29 3HG2 VAL 4 3HG2 VAL 4 -1.425 8.755 2.824 30 H LEU 5 HN LEU 5 -0.101 5.771 3.782 31 HA LEU 5 HA LEU 5 2.150 4.820 5.518 32 1HB LEU 5 2HB LEU 5 0.282 3.304 5.599 33 2HB LEU 5 3HB LEU 5 0.183 3.236 3.834 34 HG LEU 5 HG LEU 5 2.913 2.613 4.572 35 1HD1 LEU 5 1HD1 LEU 5 1.161 0.569 5.827 36 2HD1 LEU 5 2HD1 LEU 5 2.866 0.930 6.080 37 3HD1 LEU 5 3HD1 LEU 5 1.640 2.002 6.777 38 1HD2 LEU 5 1HD2 LEU 5 2.427 0.464 3.508 39 2HD2 LEU 5 2HD2 LEU 5 0.711 0.886 3.431 40 3HD2 LEU 5 3HD2 LEU 5 1.902 1.860 2.532 41 H LYS 6 HN LYS 6 4.028 4.621 4.456 42 HA LYS 6 HA LYS 6 4.188 5.129 1.491 43 1HB LYS 6 2HB LYS 6 5.605 6.283 3.747 44 2HB LYS 6 3HB LYS 6 6.727 5.606 2.582 45 1HG LYS 6 2HG LYS 6 4.418 7.353 1.657 46 2HG LYS 6 3HG LYS 6 5.807 8.080 2.436 47 1HD LYS 6 2HD LYS 6 5.952 8.165 0.027 48 2HD LYS 6 3HD LYS 6 7.346 7.376 0.767 49 1HE LYS 6 2HE LYS 6 5.050 5.810 -0.450 50 2HE LYS 6 3HE LYS 6 6.319 6.478 -1.457 51 1HZ LYS 6 1HZ LYS 6 6.973 4.702 0.776 52 2HZ LYS 6 2HZ LYS 6 6.706 4.153 -0.744 53 3HZ LYS 6 3HZ LYS 6 7.944 5.198 -0.454 54 H MET 7 HN MET 7 4.304 3.122 0.591 55 HA MET 7 HA MET 7 6.230 1.176 1.776 56 1HB MET 7 2HB MET 7 4.956 -0.601 1.047 57 2HB MET 7 3HB MET 7 3.810 0.494 1.771 58 1HG MET 7 2HG MET 7 3.090 1.239 -0.427 59 2HG MET 7 3HG MET 7 4.286 0.203 -1.227 60 1HE MET 7 1HE MET 7 3.767 -2.527 -1.771 61 2HE MET 7 2HE MET 7 4.490 -2.378 -0.160 62 3HE MET 7 3HE MET 7 3.061 -3.392 -0.413 63 H LYS 8 HN LYS 8 7.165 -0.259 0.186 64 HA LYS 8 HA LYS 8 8.195 1.068 -2.257 65 1HB LYS 8 2HB LYS 8 9.484 -0.023 0.094 66 2HB LYS 8 3HB LYS 8 9.783 -1.150 -1.220 67 1HG LYS 8 2HG LYS 8 10.359 1.840 -1.339 68 2HG LYS 8 3HG LYS 8 11.526 0.591 -0.871 69 1HD LYS 8 2HD LYS 8 11.152 -0.578 -3.000 70 2HD LYS 8 3HD LYS 8 10.160 0.723 -3.600 71 1HE LYS 8 2HE LYS 8 13.076 1.044 -2.732 72 2HE LYS 8 3HE LYS 8 12.586 0.653 -4.376 73 1HZ LYS 8 1HZ LYS 8 11.785 3.143 -3.028 74 2HZ LYS 8 2HZ LYS 8 12.962 2.966 -4.160 75 3HZ LYS 8 3HZ LYS 8 11.397 2.674 -4.550 76 H VAL 9 HN VAL 9 7.825 -0.055 -4.139 77 HA VAL 9 HA VAL 9 6.550 -2.759 -3.934 78 HB VAL 9 HB VAL 9 5.850 -0.593 -5.963 79 1HG1 VAL 9 1HG1 VAL 9 5.398 -2.952 -6.630 80 2HG1 VAL 9 2HG1 VAL 9 4.498 -3.203 -5.122 81 3HG1 VAL 9 3HG1 VAL 9 3.893 -2.067 -6.343 82 1HG2 VAL 9 1HG2 VAL 9 5.127 0.315 -3.858 83 2HG2 VAL 9 2HG2 VAL 9 3.708 -0.384 -4.654 84 3HG2 VAL 9 3HG2 VAL 9 4.503 -1.261 -3.336 85 H GLU 10 HN GLU 10 8.784 -3.523 -4.135 86 HA GLU 10 HA GLU 10 10.334 -2.724 -6.441 87 1HB GLU 10 2HB GLU 10 10.710 -5.100 -4.625 88 2HB GLU 10 3HB GLU 10 11.909 -4.461 -5.757 89 1HG GLU 10 2HG GLU 10 10.793 -2.844 -3.424 90 2HG GLU 10 3HG GLU 10 12.242 -3.833 -3.399 91 H GLY 11 HN GLY 11 11.307 -4.572 -7.850 92 1HA GLY 11 1HA GLY 11 11.072 -6.357 -9.299 93 2HA GLY 11 2HA GLY 11 9.497 -6.748 -8.595 94 H MET 12 HN MET 12 7.998 -4.516 -8.972 95 HA MET 12 HA MET 12 7.478 -4.483 -11.849 96 1HB MET 12 2HB MET 12 6.352 -2.824 -9.565 97 2HB MET 12 3HB MET 12 5.722 -2.868 -11.224 98 1HG MET 12 2HG MET 12 5.774 -5.245 -9.308 99 2HG MET 12 3HG MET 12 4.409 -4.219 -9.697 100 1HE MET 12 1HE MET 12 5.855 -7.775 -12.147 101 2HE MET 12 2HE MET 12 7.102 -6.587 -11.750 102 3HE MET 12 3HE MET 12 6.208 -7.389 -10.448 103 H THR 13 HN THR 13 8.240 -3.136 -13.348 104 HA THR 13 HA THR 13 9.059 -0.420 -12.775 105 HB THR 13 HB THR 13 11.041 -1.397 -11.893 106 HG1 THR 13 1HG THR 13 11.426 -0.509 -14.546 107 1HG2 THR 13 1HG2 THR 13 11.188 -3.008 -14.472 108 2HG2 THR 13 2HG2 THR 13 12.468 -2.905 -13.242 109 3HG2 THR 13 3HG2 THR 13 10.908 -3.635 -12.837 110 H CYS 14 HN CYS 14 7.050 -1.310 -14.434 111 HA CYS 14 HA CYS 14 8.026 -0.370 -17.045 112 1HB CYS 14 2HB CYS 14 8.497 -2.856 -17.023 113 2HB CYS 14 3HB CYS 14 6.742 -3.107 -16.928 114 HG CYS 14 HG CYS 14 7.720 -3.460 -19.369 115 H HIS 15 HN HIS 15 6.408 0.901 -15.318 116 HA HIS 15 HA HIS 15 4.256 1.530 -14.761 117 1HB HIS 15 2HB HIS 15 5.365 3.140 -16.222 118 2HB HIS 15 3HB HIS 15 4.614 2.381 -17.633 119 HD1 HIS 15 1HD HIS 15 3.006 4.314 -18.357 120 HD2 HIS 15 2HD HIS 15 2.696 3.201 -14.310 121 HE1 HIS 15 1HE HIS 15 0.935 5.482 -17.424 122 H SER 16 HN SER 16 3.598 -0.971 -14.847 123 HA SER 16 HA SER 16 1.003 -1.125 -16.228 124 1HB SER 16 2HB SER 16 2.809 -1.782 -17.890 125 2HB SER 16 3HB SER 16 3.217 -3.126 -16.804 126 HG SER 16 HG SER 16 1.740 -3.779 -18.419 127 H CYS 17 HN CYS 17 1.646 -0.928 -13.516 128 HA CYS 17 HA CYS 17 0.136 -3.087 -12.540 129 1HB CYS 17 2HB CYS 17 2.821 -3.874 -12.685 130 2HB CYS 17 3HB CYS 17 2.650 -3.396 -11.004 131 HG CYS 17 HG CYS 17 2.244 -5.938 -11.149 132 H THR 18 HN THR 18 -0.744 -0.882 -12.336 133 HA THR 18 HA THR 18 -0.200 0.178 -9.592 134 HB THR 18 HB THR 18 -0.990 2.411 -10.684 135 HG1 THR 18 1HG THR 18 -0.594 2.409 -13.016 136 1HG2 THR 18 1HG2 THR 18 1.611 1.260 -11.778 137 2HG2 THR 18 2HG2 THR 18 1.189 2.984 -11.666 138 3HG2 THR 18 3HG2 THR 18 1.395 2.031 -10.191 139 H SER 19 HN SER 19 -2.577 0.919 -12.092 140 HA SER 19 HA SER 19 -4.536 1.255 -10.267 141 1HB SER 19 2HB SER 19 -4.537 1.985 -12.696 142 2HB SER 19 3HB SER 19 -5.152 0.370 -13.127 143 HG SER 19 HG SER 19 -6.678 2.249 -12.677 144 H THR 20 HN THR 20 -3.958 -1.827 -11.829 145 HA THR 20 HA THR 20 -6.024 -3.328 -10.656 146 HB THR 20 HB THR 20 -3.188 -3.838 -11.578 147 HG1 THR 20 1HG THR 20 -5.699 -4.991 -12.212 148 1HG2 THR 20 1HG2 THR 20 -4.790 -5.844 -9.982 149 2HG2 THR 20 2HG2 THR 20 -3.470 -6.267 -11.108 150 3HG2 THR 20 3HG2 THR 20 -3.131 -5.254 -9.699 151 H ILE 21 HN ILE 21 -2.810 -2.550 -9.204 152 HA ILE 21 HA ILE 21 -3.355 -3.813 -6.687 153 HB ILE 21 HB ILE 21 -1.334 -1.816 -7.776 154 1HG1 ILE 21 2HG1 ILE 21 0.021 -3.911 -6.664 155 2HG1 ILE 21 3HG1 ILE 21 -1.428 -4.747 -7.212 156 1HG2 ILE 21 1HG2 ILE 21 -0.129 -1.655 -5.858 157 2HG2 ILE 21 2HG2 ILE 21 -1.759 -1.138 -5.437 158 3HG2 ILE 21 3HG2 ILE 21 -1.204 -2.752 -4.931 159 1HD1 ILE 21 1HD1 ILE 21 0.474 -3.025 -8.835 160 2HD1 ILE 21 2HD1 ILE 21 0.309 -4.786 -8.893 161 3HD1 ILE 21 3HD1 ILE 21 -1.005 -3.755 -9.510 162 H GLU 22 HN GLU 22 -3.663 -0.435 -7.906 163 HA GLU 22 HA GLU 22 -4.346 0.701 -5.450 164 1HB GLU 22 2HB GLU 22 -5.189 1.597 -8.240 165 2HB GLU 22 3HB GLU 22 -5.284 2.569 -6.787 166 1HG GLU 22 2HG GLU 22 -2.827 2.270 -6.445 167 2HG GLU 22 3HG GLU 22 -2.715 1.452 -7.995 168 H GLY 23 HN GLY 23 -6.560 -0.022 -8.078 169 1HA GLY 23 1HA GLY 23 -9.054 0.144 -6.880 170 2HA GLY 23 2HA GLY 23 -8.649 -0.976 -8.191 171 H LYS 24 HN LYS 24 -7.011 -2.885 -7.078 172 HA LYS 24 HA LYS 24 -8.932 -4.446 -5.677 173 1HB LYS 24 2HB LYS 24 -7.287 -5.464 -7.082 174 2HB LYS 24 3HB LYS 24 -5.949 -4.883 -6.071 175 1HG LYS 24 2HG LYS 24 -6.342 -6.394 -4.394 176 2HG LYS 24 3HG LYS 24 -8.077 -6.531 -4.720 177 1HD LYS 24 2HD LYS 24 -7.734 -7.908 -6.631 178 2HD LYS 24 3HD LYS 24 -5.979 -7.624 -6.633 179 1HE LYS 24 2HE LYS 24 -5.673 -8.858 -4.575 180 2HE LYS 24 3HE LYS 24 -7.416 -8.939 -4.274 181 1HZ LYS 24 1HZ LYS 24 -6.051 -10.276 -6.518 182 2HZ LYS 24 2HZ LYS 24 -6.515 -10.998 -5.117 183 3HZ LYS 24 3HZ LYS 24 -7.649 -10.390 -6.135 184 H ILE 25 HN ILE 25 -5.910 -2.850 -4.412 185 HA ILE 25 HA ILE 25 -6.349 -3.489 -1.689 186 HB ILE 25 HB ILE 25 -4.974 -1.242 -3.221 187 1HG1 ILE 25 2HG1 ILE 25 -4.063 -3.585 -3.501 188 2HG1 ILE 25 3HG1 ILE 25 -2.935 -2.323 -2.988 189 1HG2 ILE 25 1HG2 ILE 25 -3.660 -0.783 -1.190 190 2HG2 ILE 25 2HG2 ILE 25 -5.337 -0.218 -1.204 191 3HG2 ILE 25 3HG2 ILE 25 -4.903 -1.677 -0.267 192 1HD1 ILE 25 1HD1 ILE 25 -4.384 -4.174 -1.096 193 2HD1 ILE 25 2HD1 ILE 25 -2.755 -4.473 -1.749 194 3HD1 ILE 25 3HD1 ILE 25 -3.049 -3.064 -0.705 195 H GLY 26 HN GLY 26 -7.670 -0.900 -3.741 196 1HA GLY 26 1HA GLY 26 -9.014 0.599 -1.777 197 2HA GLY 26 2HA GLY 26 -9.483 0.417 -3.472 198 H LYS 27 HN LYS 27 -9.643 -2.740 -2.590 199 HA LYS 27 HA LYS 27 -12.492 -2.548 -1.764 200 1HB LYS 27 2HB LYS 27 -10.882 -4.489 -3.279 201 2HB LYS 27 3HB LYS 27 -11.877 -5.229 -2.037 202 1HG LYS 27 2HG LYS 27 -12.980 -3.180 -4.005 203 2HG LYS 27 3HG LYS 27 -12.812 -4.895 -4.386 204 1HD LYS 27 2HD LYS 27 -14.180 -5.430 -2.282 205 2HD LYS 27 3HD LYS 27 -14.460 -3.702 -2.104 206 1HE LYS 27 2HE LYS 27 -16.390 -4.682 -3.162 207 2HE LYS 27 3HE LYS 27 -15.576 -3.642 -4.340 208 1HZ LYS 27 1HZ LYS 27 -15.319 -6.582 -4.191 209 2HZ LYS 27 2HZ LYS 27 -16.264 -5.765 -5.258 210 3HZ LYS 27 3HZ LYS 27 -14.632 -5.612 -5.332 211 H LEU 28 HN LEU 28 -9.209 -3.107 -0.423 212 HA LEU 28 HA LEU 28 -10.001 -4.922 1.484 213 1HB LEU 28 2HB LEU 28 -7.728 -2.962 1.424 214 2HB LEU 28 3HB LEU 28 -7.954 -4.175 2.650 215 HG LEU 28 HG LEU 28 -6.518 -4.531 0.318 216 1HD1 LEU 28 1HD1 LEU 28 -6.162 -5.634 2.477 217 2HD1 LEU 28 2HD1 LEU 28 -7.774 -6.396 2.377 218 3HD1 LEU 28 3HD1 LEU 28 -6.483 -6.935 1.306 219 1HD2 LEU 28 1HD2 LEU 28 -8.973 -6.291 0.205 220 2HD2 LEU 28 2HD2 LEU 28 -8.531 -5.046 -0.992 221 3HD2 LEU 28 3HD2 LEU 28 -7.506 -6.463 -0.775 222 H GLN 29 HN GLN 29 -10.807 -4.790 3.342 223 HA GLN 29 HA GLN 29 -12.150 -2.660 4.565 224 1HB GLN 29 2HB GLN 29 -12.281 -4.138 6.511 225 2HB GLN 29 3HB GLN 29 -12.601 -4.983 4.994 226 1HG GLN 29 2HG GLN 29 -9.944 -5.448 5.142 227 2HG GLN 29 3HG GLN 29 -10.252 -5.163 6.850 228 1HE2 GLN 29 2HE2 GLN 29 -10.044 -7.241 7.695 229 2HE2 GLN 29 1HE2 GLN 29 -10.957 -8.623 7.102 230 H GLY 30 HN GLY 30 -11.167 -0.754 4.990 231 1HA GLY 30 1HA GLY 30 -10.113 0.291 6.961 232 2HA GLY 30 2HA GLY 30 -8.707 -0.764 6.725 233 H VAL 31 HN VAL 31 -9.140 -0.335 3.612 234 HA VAL 31 HA VAL 31 -7.406 2.043 3.547 235 HB VAL 31 HB VAL 31 -8.310 -0.152 1.665 236 1HG1 VAL 31 1HG1 VAL 31 -6.960 0.946 -0.109 237 2HG1 VAL 31 2HG1 VAL 31 -8.444 1.804 0.306 238 3HG1 VAL 31 3HG1 VAL 31 -6.873 2.410 0.904 239 1HG2 VAL 31 1HG2 VAL 31 -6.379 -0.560 3.208 240 2HG2 VAL 31 2HG2 VAL 31 -5.893 -0.569 1.505 241 3HG2 VAL 31 3HG2 VAL 31 -5.551 0.851 2.511 242 H GLN 32 HN GLN 32 -8.209 4.065 3.005 243 HA GLN 32 HA GLN 32 -10.931 4.137 1.738 244 1HB GLN 32 2HB GLN 32 -11.201 6.364 2.359 245 2HB GLN 32 3HB GLN 32 -11.017 5.335 3.780 246 1HG GLN 32 2HG GLN 32 -8.822 6.156 4.201 247 2HG GLN 32 3HG GLN 32 -8.741 6.966 2.617 248 1HE2 GLN 32 2HE2 GLN 32 -8.010 8.611 4.495 249 2HE2 GLN 32 1HE2 GLN 32 -9.299 9.756 4.836 250 H ARG 33 HN ARG 33 -7.522 5.364 1.379 251 HA ARG 33 HA ARG 33 -8.189 5.912 -1.454 252 1HB ARG 33 2HB ARG 33 -7.881 7.959 0.539 253 2HB ARG 33 3HB ARG 33 -6.361 7.903 -0.349 254 1HG ARG 33 2HG ARG 33 -7.630 9.437 -1.563 255 2HG ARG 33 3HG ARG 33 -7.851 7.946 -2.489 256 1HD ARG 33 2HD ARG 33 -9.959 7.638 -0.895 257 2HD ARG 33 3HD ARG 33 -9.812 9.356 -0.609 258 HE ARG 33 HE ARG 33 -10.830 7.944 -2.910 259 1HH1 ARG 33 1HH2 ARG 33 -9.270 10.950 -1.995 260 2HH1 ARG 33 2HH2 ARG 33 -9.738 11.839 -3.417 261 1HH2 ARG 33 1HH1 ARG 33 -11.500 9.069 -4.812 262 2HH2 ARG 33 2HH1 ARG 33 -11.054 10.725 -5.060 263 H ILE 34 HN ILE 34 -6.255 6.160 -2.788 264 HA ILE 34 HA ILE 34 -3.783 5.029 -1.762 265 HB ILE 34 HB ILE 34 -5.184 3.068 -2.150 266 1HG1 ILE 34 2HG1 ILE 34 -3.273 2.997 -4.446 267 2HG1 ILE 34 3HG1 ILE 34 -2.607 3.342 -2.845 268 1HG2 ILE 34 1HG2 ILE 34 -6.745 3.829 -3.869 269 2HG2 ILE 34 2HG2 ILE 34 -5.430 4.028 -5.039 270 3HG2 ILE 34 3HG2 ILE 34 -5.886 2.417 -4.491 271 1HD1 ILE 34 1HD1 ILE 34 -4.421 0.967 -3.317 272 2HD1 ILE 34 2HD1 ILE 34 -2.640 0.884 -3.399 273 3HD1 ILE 34 3HD1 ILE 34 -3.460 1.359 -1.895 274 H LYS 35 HN LYS 35 -1.991 5.471 -3.028 275 HA LYS 35 HA LYS 35 -2.282 6.433 -5.801 276 1HB LYS 35 2HB LYS 35 -0.877 7.953 -3.549 277 2HB LYS 35 3HB LYS 35 -0.504 8.153 -5.257 278 1HG LYS 35 2HG LYS 35 -1.935 9.820 -5.196 279 2HG LYS 35 3HG LYS 35 -3.166 8.575 -5.424 280 1HD LYS 35 2HD LYS 35 -3.644 8.572 -3.013 281 2HD LYS 35 3HD LYS 35 -2.250 9.626 -2.699 282 1HE LYS 35 2HE LYS 35 -3.298 11.421 -4.094 283 2HE LYS 35 3HE LYS 35 -4.712 10.386 -4.350 284 1HZ LYS 35 1HZ LYS 35 -3.765 11.393 -1.742 285 2HZ LYS 35 2HZ LYS 35 -5.032 11.993 -2.598 286 3HZ LYS 35 3HZ LYS 35 -5.105 10.466 -1.984 287 H VAL 36 HN VAL 36 -1.240 4.617 -6.646 288 HA VAL 36 HA VAL 36 1.374 3.744 -5.461 289 HB VAL 36 HB VAL 36 -0.476 2.473 -7.484 290 1HG1 VAL 36 1HG1 VAL 36 1.889 1.853 -8.015 291 2HG1 VAL 36 2HG1 VAL 36 2.125 1.353 -6.343 292 3HG1 VAL 36 3HG1 VAL 36 0.972 0.489 -7.370 293 1HG2 VAL 36 1HG2 VAL 36 -1.077 2.436 -4.949 294 2HG2 VAL 36 2HG2 VAL 36 -0.998 0.893 -5.811 295 3HG2 VAL 36 3HG2 VAL 36 0.329 1.383 -4.757 296 H SER 37 HN SER 37 2.979 5.307 -6.242 297 HA SER 37 HA SER 37 2.984 6.049 -9.019 298 1HB SER 37 2HB SER 37 4.707 6.610 -6.588 299 2HB SER 37 3HB SER 37 4.803 7.365 -8.161 300 HG SER 37 HG SER 37 3.516 8.666 -6.853 301 H LEU 38 HN LEU 38 3.282 3.731 -9.800 302 HA LEU 38 HA LEU 38 5.481 2.114 -9.135 303 1HB LEU 38 2HB LEU 38 3.630 1.237 -10.337 304 2HB LEU 38 3HB LEU 38 3.791 2.439 -11.635 305 HG LEU 38 HG LEU 38 5.743 1.461 -12.451 306 1HD1 LEU 38 1HD1 LEU 38 6.645 -0.696 -11.565 307 2HD1 LEU 38 2HD1 LEU 38 6.900 0.588 -10.396 308 3HD1 LEU 38 3HD1 LEU 38 5.577 -0.558 -10.148 309 1HD2 LEU 38 1HD2 LEU 38 3.809 -0.810 -11.799 310 2HD2 LEU 38 2HD2 LEU 38 3.482 0.438 -13.007 311 3HD2 LEU 38 3HD2 LEU 38 4.854 -0.679 -13.224 312 H ASP 39 HN ASP 39 5.232 4.938 -11.345 313 HA ASP 39 HA ASP 39 7.630 5.148 -12.612 314 1HB ASP 39 2HB ASP 39 6.564 7.327 -10.762 315 2HB ASP 39 3HB ASP 39 7.449 7.515 -12.260 316 H ASN 40 HN ASN 40 6.968 5.781 -9.175 317 HA ASN 40 HA ASN 40 9.706 6.555 -8.726 318 1HB ASN 40 2HB ASN 40 7.208 7.244 -7.516 319 2HB ASN 40 3HB ASN 40 8.132 6.464 -6.261 320 1HD2 ASN 40 2HD2 ASN 40 10.421 7.246 -5.901 321 2HD2 ASN 40 1HD2 ASN 40 10.700 8.967 -6.151 322 H GLN 41 HN GLN 41 8.068 3.660 -8.823 323 HA GLN 41 HA GLN 41 8.160 1.598 -8.017 324 1HB GLN 41 2HB GLN 41 10.921 2.272 -6.912 325 2HB GLN 41 3HB GLN 41 10.280 0.683 -7.380 326 1HG GLN 41 2HG GLN 41 9.870 1.615 -9.662 327 2HG GLN 41 3HG GLN 41 10.719 3.076 -9.177 328 1HE2 GLN 41 2HE2 GLN 41 13.030 2.891 -8.495 329 2HE2 GLN 41 1HE2 GLN 41 13.994 1.596 -9.194 330 H GLU 42 HN GLU 42 7.264 3.863 -6.422 331 HA GLU 42 HA GLU 42 7.081 2.597 -3.740 332 1HB GLU 42 2HB GLU 42 8.630 5.052 -4.397 333 2HB GLU 42 3HB GLU 42 7.476 5.299 -3.100 334 1HG GLU 42 2HG GLU 42 8.392 3.214 -1.986 335 2HG GLU 42 3HG GLU 42 9.514 3.036 -3.325 336 H ALA 43 HN ALA 43 5.316 3.120 -2.490 337 HA ALA 43 HA ALA 43 3.076 4.403 -3.999 338 1HB ALA 43 1HB ALA 43 3.195 1.623 -2.759 339 2HB ALA 43 2HB ALA 43 1.737 2.400 -3.401 340 3HB ALA 43 3HB ALA 43 3.103 2.015 -4.484 341 H THR 44 HN THR 44 1.318 5.112 -2.760 342 HA THR 44 HA THR 44 1.913 5.606 0.082 343 HB THR 44 HB THR 44 1.210 7.452 -2.228 344 HG1 THR 44 1HG THR 44 3.268 7.456 -0.277 345 1HG2 THR 44 1HG2 THR 44 1.173 8.036 0.754 346 2HG2 THR 44 2HG2 THR 44 1.149 9.272 -0.527 347 3HG2 THR 44 3HG2 THR 44 -0.204 8.139 -0.371 348 H ILE 45 HN ILE 45 0.229 4.574 1.184 349 HA ILE 45 HA ILE 45 -2.464 4.704 -0.095 350 HB ILE 45 HB ILE 45 -1.386 2.609 1.762 351 1HG1 ILE 45 2HG1 ILE 45 -1.567 1.309 -0.634 352 2HG1 ILE 45 3HG1 ILE 45 -1.039 2.888 -1.195 353 1HG2 ILE 45 1HG2 ILE 45 -3.332 1.272 0.650 354 2HG2 ILE 45 2HG2 ILE 45 -3.786 2.513 1.794 355 3HG2 ILE 45 3HG2 ILE 45 -3.893 2.826 0.043 356 1HD1 ILE 45 1HD1 ILE 45 0.268 1.064 0.863 357 2HD1 ILE 45 2HD1 ILE 45 0.804 1.362 -0.803 358 3HD1 ILE 45 3HD1 ILE 45 0.924 2.655 0.405 359 H VAL 46 HN VAL 46 -4.264 4.434 1.789 360 HA VAL 46 HA VAL 46 -3.406 5.798 4.230 361 HB VAL 46 HB VAL 46 -4.067 7.471 2.346 362 1HG1 VAL 46 1HG1 VAL 46 -6.705 6.748 3.518 363 2HG1 VAL 46 2HG1 VAL 46 -6.380 8.086 2.379 364 3HG1 VAL 46 3HG1 VAL 46 -6.111 6.401 1.864 365 1HG2 VAL 46 1HG2 VAL 46 -3.563 8.197 4.618 366 2HG2 VAL 46 2HG2 VAL 46 -5.084 8.950 4.116 367 3HG2 VAL 46 3HG2 VAL 46 -5.118 7.538 5.198 368 H TYR 47 HN TYR 47 -4.286 4.855 5.973 369 HA TYR 47 HA TYR 47 -6.892 3.571 5.844 370 1HB TYR 47 2HB TYR 47 -6.106 1.318 6.312 371 2HB TYR 47 3HB TYR 47 -5.366 1.861 4.815 372 HD1 TYR 47 1HD TYR 47 -2.944 2.299 4.703 373 HD2 TYR 47 2HD TYR 47 -4.772 1.156 8.429 374 HE1 TYR 47 1HE TYR 47 -0.808 1.379 5.511 375 HE2 TYR 47 2HE TYR 47 -2.538 0.907 9.422 376 HH TYR 47 HH TYR 47 -0.169 -0.403 7.507 377 H GLN 48 HN GLN 48 -7.229 2.307 8.123 378 HA GLN 48 HA GLN 48 -5.739 3.712 10.212 379 1HB GLN 48 2HB GLN 48 -7.737 4.740 10.613 380 2HB GLN 48 3HB GLN 48 -8.629 3.616 9.575 381 1HG GLN 48 2HG GLN 48 -8.903 2.018 11.195 382 2HG GLN 48 3HG GLN 48 -7.803 2.827 12.326 383 1HE2 GLN 48 2HE2 GLN 48 -9.367 3.017 14.018 384 2HE2 GLN 48 1HE2 GLN 48 -10.739 4.097 13.856 385 HA PRO 49 HA PRO 49 -4.783 -0.295 11.813 386 1HB PRO 49 2HB PRO 49 -3.964 0.348 14.330 387 2HB PRO 49 3HB PRO 49 -3.034 0.813 12.894 388 1HG PRO 49 2HG PRO 49 -5.011 2.509 14.438 389 2HG PRO 49 3HG PRO 49 -3.360 2.949 13.926 390 1HD PRO 49 2HD PRO 49 -5.579 3.669 12.510 391 2HD PRO 49 3HD PRO 49 -4.056 3.258 11.683 392 H HIS 50 HN HIS 50 -7.078 -0.817 11.582 393 HA HIS 50 HA HIS 50 -8.179 -1.763 14.083 394 1HB HIS 50 2HB HIS 50 -9.172 0.284 14.527 395 2HB HIS 50 3HB HIS 50 -9.343 0.690 12.825 396 HD1 HIS 50 1HD HIS 50 -10.913 -2.476 14.380 397 HD2 HIS 50 2HD HIS 50 -11.843 1.220 12.593 398 HE1 HIS 50 1HE HIS 50 -13.438 -2.464 13.981 399 H LEU 51 HN LEU 51 -8.990 -0.967 10.641 400 HA LEU 51 HA LEU 51 -10.580 -3.446 10.467 401 1HB LEU 51 2HB LEU 51 -9.991 -1.147 8.634 402 2HB LEU 51 3HB LEU 51 -10.852 -2.595 8.076 403 HG LEU 51 HG LEU 51 -11.805 -1.018 10.469 404 1HD1 LEU 51 1HD1 LEU 51 -12.546 -0.573 7.549 405 2HD1 LEU 51 2HD1 LEU 51 -13.387 0.144 8.942 406 3HD1 LEU 51 3HD1 LEU 51 -11.699 0.570 8.624 407 1HD2 LEU 51 1HD2 LEU 51 -12.785 -3.283 10.171 408 2HD2 LEU 51 2HD2 LEU 51 -13.992 -2.028 9.864 409 3HD2 LEU 51 3HD2 LEU 51 -13.230 -2.871 8.501 410 H ILE 52 HN ILE 52 -7.383 -2.101 9.439 411 HA ILE 52 HA ILE 52 -6.774 -4.661 8.137 412 HB ILE 52 HB ILE 52 -6.881 -2.626 6.728 413 1HG1 ILE 52 2HG1 ILE 52 -4.841 -3.073 5.513 414 2HG1 ILE 52 3HG1 ILE 52 -4.088 -3.882 6.895 415 1HG2 ILE 52 1HG2 ILE 52 -5.099 -1.022 6.838 416 2HG2 ILE 52 2HG2 ILE 52 -6.001 -1.066 8.372 417 3HG2 ILE 52 3HG2 ILE 52 -4.404 -1.839 8.258 418 1HD1 ILE 52 1HD1 ILE 52 -6.679 -4.842 5.628 419 2HD1 ILE 52 2HD1 ILE 52 -5.076 -5.368 5.047 420 3HD1 ILE 52 3HD1 ILE 52 -5.583 -5.754 6.699 421 H SER 53 HN SER 53 -4.715 -5.595 8.670 422 HA SER 53 HA SER 53 -4.035 -5.102 11.441 423 1HB SER 53 2HB SER 53 -2.923 -7.061 9.540 424 2HB SER 53 3HB SER 53 -2.885 -7.165 11.314 425 HG SER 53 HG SER 53 -4.601 -8.465 10.369 426 H VAL 54 HN VAL 54 -3.356 -3.112 9.658 427 HA VAL 54 HA VAL 54 -1.871 -1.570 9.099 428 HB VAL 54 HB VAL 54 -0.707 -2.917 11.473 429 1HG1 VAL 54 1HG1 VAL 54 1.391 -1.559 11.379 430 2HG1 VAL 54 2HG1 VAL 54 1.364 -2.935 10.271 431 3HG1 VAL 54 3HG1 VAL 54 1.092 -1.294 9.642 432 1HG2 VAL 54 1HG2 VAL 54 -2.239 -0.945 11.404 433 2HG2 VAL 54 2HG2 VAL 54 -0.721 -0.661 12.290 434 3HG2 VAL 54 3HG2 VAL 54 -0.916 -0.032 10.639 435 H GLU 55 HN GLU 55 -0.160 -4.595 9.301 436 HA GLU 55 HA GLU 55 1.579 -3.976 7.046 437 1HB GLU 55 2HB GLU 55 2.205 -4.871 9.356 438 2HB GLU 55 3HB GLU 55 1.517 -6.390 8.778 439 1HG GLU 55 2HG GLU 55 3.199 -6.555 7.050 440 2HG GLU 55 3HG GLU 55 3.666 -4.851 7.209 441 H GLU 56 HN GLU 56 -1.205 -6.034 7.829 442 HA GLU 56 HA GLU 56 -1.075 -8.082 5.991 443 1HB GLU 56 2HB GLU 56 -3.285 -6.424 7.169 444 2HB GLU 56 3HB GLU 56 -3.692 -7.296 5.692 445 1HG GLU 56 2HG GLU 56 -2.450 -8.686 8.074 446 2HG GLU 56 3HG GLU 56 -4.195 -8.599 7.750 447 H MET 57 HN MET 57 -2.128 -4.698 5.308 448 HA MET 57 HA MET 57 -2.839 -4.948 2.716 449 1HB MET 57 2HB MET 57 -2.524 -2.921 4.574 450 2HB MET 57 3HB MET 57 -1.140 -2.601 3.551 451 1HG MET 57 2HG MET 57 -3.513 -3.092 1.938 452 2HG MET 57 3HG MET 57 -3.881 -1.966 3.244 453 1HE MET 57 1HE MET 57 -3.119 0.381 3.438 454 2HE MET 57 2HE MET 57 -1.654 -0.474 3.974 455 3HE MET 57 3HE MET 57 -1.508 0.894 2.883 456 H LYS 58 HN LYS 58 0.462 -4.127 3.845 457 HA LYS 58 HA LYS 58 1.708 -4.142 1.276 458 1HB LYS 58 2HB LYS 58 2.530 -3.055 3.431 459 2HB LYS 58 3HB LYS 58 2.882 -4.671 4.040 460 1HG LYS 58 2HG LYS 58 4.299 -4.615 1.606 461 2HG LYS 58 3HG LYS 58 4.354 -2.936 2.149 462 1HD LYS 58 2HD LYS 58 6.221 -3.841 3.228 463 2HD LYS 58 3HD LYS 58 4.996 -3.906 4.483 464 1HE LYS 58 2HE LYS 58 5.328 -6.039 4.719 465 2HE LYS 58 3HE LYS 58 4.762 -6.318 3.052 466 1HZ LYS 58 1HZ LYS 58 7.571 -5.906 3.898 467 2HZ LYS 58 2HZ LYS 58 6.872 -7.309 3.405 468 3HZ LYS 58 3HZ LYS 58 7.089 -6.131 2.335 469 H LYS 59 HN LYS 59 1.400 -6.628 3.851 470 HA LYS 59 HA LYS 59 2.895 -8.658 2.512 471 1HB LYS 59 2HB LYS 59 1.013 -8.452 4.814 472 2HB LYS 59 3HB LYS 59 1.077 -10.028 4.034 473 1HG LYS 59 2HG LYS 59 2.653 -9.641 5.938 474 2HG LYS 59 3HG LYS 59 3.336 -10.336 4.451 475 1HD LYS 59 2HD LYS 59 4.442 -8.219 3.877 476 2HD LYS 59 3HD LYS 59 3.535 -7.355 5.091 477 1HE LYS 59 2HE LYS 59 5.733 -7.766 6.038 478 2HE LYS 59 3HE LYS 59 4.654 -8.891 6.854 479 1HZ LYS 59 1HZ LYS 59 6.317 -9.543 4.500 480 2HZ LYS 59 2HZ LYS 59 6.736 -9.859 6.075 481 3HZ LYS 59 3HZ LYS 59 5.435 -10.608 5.397 482 H GLN 60 HN GLN 60 -0.399 -7.493 1.792 483 HA GLN 60 HA GLN 60 -1.020 -9.919 0.385 484 1HB GLN 60 2HB GLN 60 -3.013 -9.011 0.254 485 2HB GLN 60 3HB GLN 60 -2.433 -7.567 1.081 486 1HG GLN 60 2HG GLN 60 -1.894 -6.518 -1.057 487 2HG GLN 60 3HG GLN 60 -2.254 -8.029 -1.908 488 1HE2 GLN 60 2HE2 GLN 60 -3.780 -6.843 -3.253 489 2HE2 GLN 60 1HE2 GLN 60 -5.330 -6.368 -2.555 490 H ILE 61 HN ILE 61 0.457 -6.796 -0.400 491 HA ILE 61 HA ILE 61 0.829 -7.300 -3.178 492 HB ILE 61 HB ILE 61 2.307 -5.429 -1.375 493 1HG1 ILE 61 2HG1 ILE 61 1.149 -3.904 -3.314 494 2HG1 ILE 61 3HG1 ILE 61 0.001 -5.234 -3.351 495 1HG2 ILE 61 1HG2 ILE 61 3.755 -6.210 -3.357 496 2HG2 ILE 61 2HG2 ILE 61 2.464 -5.670 -4.426 497 3HG2 ILE 61 3HG2 ILE 61 3.329 -4.501 -3.404 498 1HD1 ILE 61 1HD1 ILE 61 0.804 -3.629 -0.887 499 2HD1 ILE 61 2HD1 ILE 61 -0.647 -3.355 -1.866 500 3HD1 ILE 61 3HD1 ILE 61 -0.449 -4.883 -0.983 501 H GLU 62 HN GLU 62 2.895 -8.074 -0.312 502 HA GLU 62 HA GLU 62 5.127 -9.160 -1.732 503 1HB GLU 62 2HB GLU 62 4.008 -10.122 0.932 504 2HB GLU 62 3HB GLU 62 5.544 -10.551 0.181 505 1HG GLU 62 2HG GLU 62 5.851 -7.908 0.075 506 2HG GLU 62 3HG GLU 62 4.745 -7.946 1.432 507 H ALA 63 HN ALA 63 2.164 -10.638 -0.424 508 HA ALA 63 HA ALA 63 2.583 -13.286 -1.228 509 1HB ALA 63 1HB ALA 63 1.100 -12.548 0.574 510 2HB ALA 63 2HB ALA 63 0.007 -11.808 -0.606 511 3HB ALA 63 3HB ALA 63 0.224 -13.576 -0.587 512 H MET 64 HN MET 64 1.241 -10.590 -3.147 513 HA MET 64 HA MET 64 0.057 -12.080 -5.244 514 1HB MET 64 2HB MET 64 1.858 -9.639 -5.530 515 2HB MET 64 3HB MET 64 0.734 -10.257 -6.728 516 1HG MET 64 2HG MET 64 -0.050 -9.156 -4.035 517 2HG MET 64 3HG MET 64 -0.096 -8.245 -5.521 518 1HE MET 64 1HE MET 64 -1.438 -9.953 -7.658 519 2HE MET 64 2HE MET 64 -3.161 -9.627 -7.363 520 3HE MET 64 3HE MET 64 -1.975 -8.309 -7.225 521 H GLY 65 HN GLY 65 3.463 -11.627 -4.336 522 1HA GLY 65 1HA GLY 65 4.794 -13.663 -5.061 523 2HA GLY 65 2HA GLY 65 4.415 -13.162 -6.719 524 H PHE 66 HN PHE 66 4.511 -10.238 -5.871 525 HA PHE 66 HA PHE 66 7.329 -9.990 -6.585 526 1HB PHE 66 2HB PHE 66 5.227 -7.834 -6.244 527 2HB PHE 66 3HB PHE 66 6.785 -7.664 -7.050 528 HD1 PHE 66 1HD PHE 66 7.049 -9.972 -8.794 529 HD2 PHE 66 2HD PHE 66 3.486 -7.716 -7.846 530 HE1 PHE 66 1HE PHE 66 5.952 -10.878 -10.781 531 HE2 PHE 66 2HE PHE 66 2.421 -8.559 -9.917 532 HZ PHE 66 HZ PHE 66 3.639 -10.147 -11.393 533 HA PRO 67 HA PRO 67 8.295 -9.293 -2.239 534 1HB PRO 67 2HB PRO 67 10.798 -8.164 -2.436 535 2HB PRO 67 3HB PRO 67 10.484 -9.898 -2.735 536 1HG PRO 67 2HG PRO 67 10.678 -7.680 -4.792 537 2HG PRO 67 3HG PRO 67 11.519 -9.257 -4.810 538 1HD PRO 67 2HD PRO 67 9.236 -8.845 -6.200 539 2HD PRO 67 3HD PRO 67 9.493 -10.406 -5.357 540 H ALA 68 HN ALA 68 7.541 -7.606 -0.937 541 HA ALA 68 HA ALA 68 7.893 -4.822 -1.931 542 1HB ALA 68 1HB ALA 68 5.667 -5.719 -2.567 543 2HB ALA 68 2HB ALA 68 5.263 -5.896 -0.842 544 3HB ALA 68 3HB ALA 68 5.608 -4.288 -1.524 545 H PHE 69 HN PHE 69 7.220 -3.299 -0.079 546 HA PHE 69 HA PHE 69 8.301 -4.210 2.463 547 1HB PHE 69 2HB PHE 69 10.273 -4.127 0.797 548 2HB PHE 69 3HB PHE 69 10.089 -2.378 0.854 549 HD1 PHE 69 1HD PHE 69 10.620 -5.450 2.916 550 HD2 PHE 69 2HD PHE 69 10.942 -1.146 2.796 551 HE1 PHE 69 1HE PHE 69 11.568 -5.450 5.209 552 HE2 PHE 69 2HE PHE 69 11.906 -1.160 5.075 553 HZ PHE 69 HZ PHE 69 12.243 -3.308 6.276 554 H VAL 70 HN VAL 70 8.577 -2.436 4.053 555 HA VAL 70 HA VAL 70 6.621 -0.285 3.472 556 HB VAL 70 HB VAL 70 5.382 -1.785 4.569 557 1HG1 VAL 70 1HG1 VAL 70 7.171 -3.142 5.540 558 2HG1 VAL 70 2HG1 VAL 70 7.522 -1.844 6.703 559 3HG1 VAL 70 3HG1 VAL 70 5.961 -2.709 6.770 560 1HG2 VAL 70 1HG2 VAL 70 6.194 0.317 6.596 561 2HG2 VAL 70 2HG2 VAL 70 5.084 0.557 5.225 562 3HG2 VAL 70 3HG2 VAL 70 4.672 -0.592 6.515 563 H LYS 71 HN LYS 71 7.431 1.658 3.718 564 HA LYS 71 HA LYS 71 9.981 2.040 5.236 565 1HB LYS 71 2HB LYS 71 8.537 3.677 3.136 566 2HB LYS 71 3HB LYS 71 9.782 4.363 4.188 567 1HG LYS 71 2HG LYS 71 11.438 2.798 3.422 568 2HG LYS 71 3HG LYS 71 10.259 1.919 2.429 569 1HD LYS 71 2HD LYS 71 10.077 3.622 0.856 570 2HD LYS 71 3HD LYS 71 10.465 4.898 2.020 571 1HE LYS 71 2HE LYS 71 12.852 4.153 2.036 572 2HE LYS 71 3HE LYS 71 12.472 2.985 0.756 573 1HZ LYS 71 1HZ LYS 71 12.076 5.908 0.536 574 2HZ LYS 71 2HZ LYS 71 13.351 5.078 -0.098 575 3HZ LYS 71 3HZ LYS 71 11.833 4.814 -0.651 576 H LYS 72 HN LYS 72 6.691 3.536 4.939 577 HA LYS 72 HA LYS 72 7.071 4.552 7.727 578 1HB LYS 72 2HB LYS 72 7.054 6.178 5.487 579 2HB LYS 72 3HB LYS 72 5.350 6.224 6.008 580 1HG LYS 72 2HG LYS 72 6.136 6.825 8.317 581 2HG LYS 72 3HG LYS 72 7.804 6.742 7.729 582 1HD LYS 72 2HD LYS 72 7.352 9.003 7.738 583 2HD LYS 72 3HD LYS 72 7.197 8.561 6.032 584 1HE LYS 72 2HE LYS 72 4.786 8.705 6.118 585 2HE LYS 72 3HE LYS 72 4.765 8.663 7.887 586 1HZ LYS 72 1HZ LYS 72 5.806 10.903 6.289 587 2HZ LYS 72 2HZ LYS 72 4.368 10.857 7.086 588 3HZ LYS 72 3HZ LYS 72 5.768 10.818 7.933 589 H ILE 73 HN ILE 73 5.402 4.422 9.071 590 HA ILE 73 HA ILE 73 3.257 2.557 8.316 591 HB ILE 73 HB ILE 73 5.254 2.045 9.859 592 1HG1 ILE 73 2HG1 ILE 73 3.191 0.985 11.472 593 2HG1 ILE 73 3HG1 ILE 73 2.535 1.048 9.825 594 1HG2 ILE 73 1HG2 ILE 73 4.930 4.093 11.204 595 2HG2 ILE 73 2HG2 ILE 73 3.436 3.380 11.854 596 3HG2 ILE 73 3HG2 ILE 73 4.998 2.593 12.164 597 1HD1 ILE 73 1HD1 ILE 73 5.178 -0.220 10.646 598 2HD1 ILE 73 2HD1 ILE 73 3.678 -1.076 10.246 599 3HD1 ILE 73 3HD1 ILE 73 4.527 -0.156 8.989 600 H GLU 74 HN GLU 74 1.411 2.778 10.305 601 HA GLU 74 HA GLU 74 0.083 5.282 9.577 602 1HB GLU 74 2HB GLU 74 -1.834 4.213 10.072 603 2HB GLU 74 3HB GLU 74 -0.819 2.877 9.554 604 1HG GLU 74 2HG GLU 74 -1.639 3.611 12.389 605 2HG GLU 74 3HG GLU 74 -2.065 2.182 11.442 606 H GLY 75 HN GLY 75 -1.304 6.143 11.512 607 1HA GLY 75 1HA GLY 75 -1.335 7.447 13.424 608 2HA GLY 75 2HA GLY 75 -0.455 6.106 14.169 609 H ARG 76 HN ARG 76 0.615 7.708 15.448 610 HA ARG 76 HA ARG 76 2.504 8.727 16.087 611 1HB ARG 76 2HB ARG 76 3.210 6.541 14.997 612 2HB ARG 76 3HB ARG 76 3.703 7.490 13.586 613 1HG ARG 76 2HG ARG 76 5.345 8.700 14.961 614 2HG ARG 76 3HG ARG 76 4.768 7.903 16.428 615 1HD ARG 76 2HD ARG 76 5.552 5.786 15.800 616 2HD ARG 76 3HD ARG 76 5.634 6.172 14.089 617 HE ARG 76 HE ARG 76 7.691 6.567 16.079 618 1HH1 ARG 76 1HH2 ARG 76 6.345 8.056 13.203 619 2HH1 ARG 76 2HH2 ARG 76 7.863 8.509 12.488 620 1HH2 ARG 76 1HH1 ARG 76 9.761 7.188 15.217 621 2HH2 ARG 76 2HH1 ARG 76 9.867 8.038 13.710 Start of MODEL 25 1 1H GLY 1 1H GLY 1 -9.914 8.655 9.678 2 2H GLY 1 2H GLY 1 -10.463 9.544 10.946 3 3H GLY 1 3H GLY 1 -8.907 9.743 10.381 4 1HA GLY 1 1HA GLY 1 -8.977 8.450 12.473 5 2HA GLY 1 2HA GLY 1 -9.933 7.276 11.545 6 H GLU 2 HN GLU 2 -8.870 7.197 9.231 7 HA GLU 2 HA GLU 2 -6.606 5.738 8.981 8 1HB GLU 2 2HB GLU 2 -7.833 7.643 6.928 9 2HB GLU 2 3HB GLU 2 -6.982 6.118 6.647 10 1HG GLU 2 2HG GLU 2 -9.125 5.408 6.378 11 2HG GLU 2 3HG GLU 2 -8.947 5.059 8.078 12 H VAL 3 HN VAL 3 -4.552 6.176 8.128 13 HA VAL 3 HA VAL 3 -3.515 8.942 8.211 14 HB VAL 3 HB VAL 3 -2.239 6.531 9.575 15 1HG1 VAL 3 1HG1 VAL 3 -0.759 8.337 10.564 16 2HG1 VAL 3 2HG1 VAL 3 -0.562 8.107 8.835 17 3HG1 VAL 3 3HG1 VAL 3 -1.505 9.490 9.451 18 1HG2 VAL 3 1HG2 VAL 3 -2.724 7.745 11.728 19 2HG2 VAL 3 2HG2 VAL 3 -3.789 8.836 10.820 20 3HG2 VAL 3 3HG2 VAL 3 -4.147 7.092 10.926 21 H VAL 4 HN VAL 4 -1.610 9.155 6.908 22 HA VAL 4 HA VAL 4 -1.577 7.371 4.632 23 HB VAL 4 HB VAL 4 -1.432 10.055 4.875 24 1HG1 VAL 4 1HG1 VAL 4 0.888 9.966 5.725 25 2HG1 VAL 4 2HG1 VAL 4 1.360 9.090 4.235 26 3HG1 VAL 4 3HG1 VAL 4 0.775 10.769 4.143 27 1HG2 VAL 4 1HG2 VAL 4 -0.801 9.997 2.474 28 2HG2 VAL 4 2HG2 VAL 4 -0.442 8.259 2.643 29 3HG2 VAL 4 3HG2 VAL 4 -2.092 8.869 2.907 30 H LEU 5 HN LEU 5 -0.123 5.802 4.166 31 HA LEU 5 HA LEU 5 2.469 5.692 5.609 32 1HB LEU 5 2HB LEU 5 2.106 3.799 6.437 33 2HB LEU 5 3HB LEU 5 0.411 4.068 6.212 34 HG LEU 5 HG LEU 5 1.034 1.855 5.638 35 1HD1 LEU 5 1HD1 LEU 5 0.024 1.659 3.435 36 2HD1 LEU 5 2HD1 LEU 5 -0.796 2.949 4.357 37 3HD1 LEU 5 3HD1 LEU 5 0.367 3.365 3.097 38 1HD2 LEU 5 1HD2 LEU 5 3.401 2.689 4.807 39 2HD2 LEU 5 2HD2 LEU 5 2.706 1.130 4.306 40 3HD2 LEU 5 3HD2 LEU 5 2.620 2.517 3.214 41 H LYS 6 HN LYS 6 4.147 4.717 4.339 42 HA LYS 6 HA LYS 6 3.677 4.691 1.440 43 1HB LYS 6 2HB LYS 6 5.575 6.494 2.856 44 2HB LYS 6 3HB LYS 6 6.360 5.455 1.674 45 1HG LYS 6 2HG LYS 6 4.038 6.413 0.369 46 2HG LYS 6 3HG LYS 6 4.638 7.802 1.222 47 1HD LYS 6 2HD LYS 6 6.424 6.031 -0.550 48 2HD LYS 6 3HD LYS 6 5.326 7.213 -1.221 49 1HE LYS 6 2HE LYS 6 7.381 8.340 -1.125 50 2HE LYS 6 3HE LYS 6 6.429 9.014 0.206 51 1HZ LYS 6 1HZ LYS 6 8.549 6.983 0.334 52 2HZ LYS 6 2HZ LYS 6 8.671 8.518 0.881 53 3HZ LYS 6 3HZ LYS 6 7.675 7.439 1.651 54 H MET 7 HN MET 7 4.561 3.089 0.368 55 HA MET 7 HA MET 7 6.134 1.052 1.870 56 1HB MET 7 2HB MET 7 4.778 -0.601 0.473 57 2HB MET 7 3HB MET 7 3.913 0.183 1.808 58 1HG MET 7 2HG MET 7 2.657 1.553 0.387 59 2HG MET 7 3HG MET 7 3.804 1.407 -0.939 60 1HE MET 7 1HE MET 7 0.840 -1.878 0.193 61 2HE MET 7 2HE MET 7 2.479 -1.860 0.893 62 3HE MET 7 3HE MET 7 1.338 -0.546 1.256 63 H LYS 8 HN LYS 8 7.583 -0.075 0.665 64 HA LYS 8 HA LYS 8 8.384 1.006 -1.996 65 1HB LYS 8 2HB LYS 8 9.825 -0.192 0.272 66 2HB LYS 8 3HB LYS 8 10.095 -1.128 -1.198 67 1HG LYS 8 2HG LYS 8 10.463 1.874 -0.954 68 2HG LYS 8 3HG LYS 8 11.768 0.689 -0.808 69 1HD LYS 8 2HD LYS 8 10.314 0.161 -3.275 70 2HD LYS 8 3HD LYS 8 10.632 1.886 -3.184 71 1HE LYS 8 2HE LYS 8 12.336 0.633 -4.430 72 2HE LYS 8 3HE LYS 8 13.032 1.532 -3.077 73 1HZ LYS 8 1HZ LYS 8 12.287 -1.274 -2.728 74 2HZ LYS 8 2HZ LYS 8 13.606 -0.957 -3.581 75 3HZ LYS 8 3HZ LYS 8 13.519 -0.453 -2.006 76 H VAL 9 HN VAL 9 7.851 -0.153 -3.787 77 HA VAL 9 HA VAL 9 6.689 -2.887 -3.364 78 HB VAL 9 HB VAL 9 5.813 -0.837 -5.433 79 1HG1 VAL 9 1HG1 VAL 9 3.891 -2.523 -5.519 80 2HG1 VAL 9 2HG1 VAL 9 5.433 -3.101 -6.190 81 3HG1 VAL 9 3HG1 VAL 9 4.895 -3.629 -4.584 82 1HG2 VAL 9 1HG2 VAL 9 3.730 -0.694 -4.082 83 2HG2 VAL 9 2HG2 VAL 9 4.498 -1.666 -2.808 84 3HG2 VAL 9 3HG2 VAL 9 5.114 -0.045 -3.204 85 H GLU 10 HN GLU 10 8.716 -3.834 -3.643 86 HA GLU 10 HA GLU 10 10.402 -3.008 -5.845 87 1HB GLU 10 2HB GLU 10 10.560 -5.072 -3.635 88 2HB GLU 10 3HB GLU 10 11.587 -5.319 -5.044 89 1HG GLU 10 2HG GLU 10 11.406 -2.695 -3.582 90 2HG GLU 10 3HG GLU 10 12.609 -3.943 -3.167 91 H GLY 11 HN GLY 11 11.315 -4.482 -7.389 92 1HA GLY 11 1HA GLY 11 11.175 -6.012 -9.126 93 2HA GLY 11 2HA GLY 11 9.879 -6.832 -8.254 94 H MET 12 HN MET 12 7.900 -4.893 -8.181 95 HA MET 12 HA MET 12 6.598 -5.314 -10.588 96 1HB MET 12 2HB MET 12 5.835 -4.655 -8.154 97 2HB MET 12 3HB MET 12 5.863 -2.997 -8.754 98 1HG MET 12 2HG MET 12 4.096 -3.499 -10.311 99 2HG MET 12 3HG MET 12 4.407 -5.238 -10.192 100 1HE MET 12 1HE MET 12 2.134 -2.341 -8.627 101 2HE MET 12 2HE MET 12 2.167 -2.869 -6.950 102 3HE MET 12 3HE MET 12 3.667 -2.303 -7.746 103 H THR 13 HN THR 13 7.117 -4.522 -12.559 104 HA THR 13 HA THR 13 8.378 -1.835 -12.791 105 HB THR 13 HB THR 13 10.005 -3.508 -13.065 106 HG1 THR 13 1HG THR 13 9.348 -2.586 -15.662 107 1HG2 THR 13 1HG2 THR 13 8.237 -4.650 -15.260 108 2HG2 THR 13 2HG2 THR 13 9.919 -5.128 -14.925 109 3HG2 THR 13 3HG2 THR 13 8.661 -5.429 -13.716 110 H CYS 14 HN CYS 14 7.982 -0.666 -14.645 111 HA CYS 14 HA CYS 14 6.844 0.316 -16.288 112 1HB CYS 14 2HB CYS 14 5.867 -2.469 -16.954 113 2HB CYS 14 3HB CYS 14 5.534 -1.031 -17.927 114 HG CYS 14 HG CYS 14 7.461 -2.412 -19.007 115 H HIS 15 HN HIS 15 4.835 1.282 -16.850 116 HA HIS 15 HA HIS 15 3.130 1.563 -14.537 117 1HB HIS 15 2HB HIS 15 2.150 3.395 -15.728 118 2HB HIS 15 3HB HIS 15 3.905 3.470 -15.848 119 HD1 HIS 15 1HD HIS 15 0.804 3.117 -17.976 120 HD2 HIS 15 2HD HIS 15 4.983 2.929 -18.366 121 HE1 HIS 15 1HE HIS 15 1.313 3.293 -20.480 122 H SER 16 HN SER 16 2.663 -0.872 -14.883 123 HA SER 16 HA SER 16 0.166 -1.308 -16.496 124 1HB SER 16 2HB SER 16 2.099 -2.106 -17.729 125 2HB SER 16 3HB SER 16 2.724 -2.963 -16.314 126 HG SER 16 HG SER 16 1.548 -4.355 -17.748 127 H CYS 17 HN CYS 17 2.292 -3.197 -14.291 128 HA CYS 17 HA CYS 17 0.085 -4.050 -12.590 129 1HB CYS 17 2HB CYS 17 3.119 -4.208 -12.361 130 2HB CYS 17 3HB CYS 17 1.990 -4.794 -11.112 131 HG CYS 17 HG CYS 17 2.915 -6.782 -12.481 132 H THR 18 HN THR 18 -0.746 -1.837 -12.448 133 HA THR 18 HA THR 18 0.145 -0.522 -9.936 134 HB THR 18 HB THR 18 -0.236 1.716 -11.131 135 HG1 THR 18 1HG THR 18 0.098 0.095 -13.455 136 1HG2 THR 18 1HG2 THR 18 2.139 0.175 -12.264 137 2HG2 THR 18 2HG2 THR 18 1.939 1.930 -12.097 138 3HG2 THR 18 3HG2 THR 18 2.056 0.908 -10.647 139 H SER 19 HN SER 19 -2.102 0.502 -12.474 140 HA SER 19 HA SER 19 -4.127 1.097 -10.692 141 1HB SER 19 2HB SER 19 -4.045 1.896 -13.044 142 2HB SER 19 3HB SER 19 -4.440 0.261 -13.625 143 HG SER 19 HG SER 19 -6.249 1.758 -13.462 144 H THR 20 HN THR 20 -3.809 -2.017 -12.322 145 HA THR 20 HA THR 20 -5.990 -3.320 -11.183 146 HB THR 20 HB THR 20 -3.120 -4.180 -11.784 147 HG1 THR 20 1HG THR 20 -4.258 -5.188 -13.516 148 1HG2 THR 20 1HG2 THR 20 -5.452 -5.818 -10.777 149 2HG2 THR 20 2HG2 THR 20 -4.037 -6.529 -11.613 150 3HG2 THR 20 3HG2 THR 20 -3.822 -5.672 -10.075 151 H ILE 21 HN ILE 21 -2.755 -2.797 -9.663 152 HA ILE 21 HA ILE 21 -3.437 -4.089 -7.198 153 HB ILE 21 HB ILE 21 -1.199 -2.281 -8.185 154 1HG1 ILE 21 2HG1 ILE 21 0.049 -4.363 -7.214 155 2HG1 ILE 21 3HG1 ILE 21 -1.498 -5.186 -7.376 156 1HG2 ILE 21 1HG2 ILE 21 -1.571 -1.489 -5.941 157 2HG2 ILE 21 2HG2 ILE 21 -1.453 -3.167 -5.327 158 3HG2 ILE 21 3HG2 ILE 21 -0.069 -2.377 -6.140 159 1HD1 ILE 21 1HD1 ILE 21 0.074 -3.719 -9.526 160 2HD1 ILE 21 2HD1 ILE 21 -0.011 -5.482 -9.335 161 3HD1 ILE 21 3HD1 ILE 21 -1.456 -4.579 -9.827 162 H GLU 22 HN GLU 22 -3.501 -0.656 -8.323 163 HA GLU 22 HA GLU 22 -4.217 0.476 -5.889 164 1HB GLU 22 2HB GLU 22 -5.024 1.387 -8.686 165 2HB GLU 22 3HB GLU 22 -5.173 2.338 -7.232 166 1HG GLU 22 2HG GLU 22 -2.642 1.945 -6.886 167 2HG GLU 22 3HG GLU 22 -2.613 1.399 -8.558 168 H GLY 23 HN GLY 23 -6.420 -0.151 -8.518 169 1HA GLY 23 1HA GLY 23 -8.925 0.052 -7.361 170 2HA GLY 23 2HA GLY 23 -8.542 -1.073 -8.674 171 H LYS 24 HN LYS 24 -6.997 -3.025 -7.573 172 HA LYS 24 HA LYS 24 -8.865 -4.631 -6.168 173 1HB LYS 24 2HB LYS 24 -7.016 -5.520 -7.515 174 2HB LYS 24 3HB LYS 24 -5.838 -4.861 -6.383 175 1HG LYS 24 2HG LYS 24 -5.937 -6.660 -5.091 176 2HG LYS 24 3HG LYS 24 -7.676 -6.514 -4.855 177 1HD LYS 24 2HD LYS 24 -6.411 -7.789 -7.315 178 2HD LYS 24 3HD LYS 24 -6.863 -8.694 -5.859 179 1HE LYS 24 2HE LYS 24 -9.207 -8.067 -6.073 180 2HE LYS 24 3HE LYS 24 -8.858 -6.983 -7.427 181 1HZ LYS 24 1HZ LYS 24 -8.490 -9.905 -7.479 182 2HZ LYS 24 2HZ LYS 24 -9.747 -9.083 -8.147 183 3HZ LYS 24 3HZ LYS 24 -8.229 -8.870 -8.735 184 H ILE 25 HN ILE 25 -5.992 -2.801 -4.946 185 HA ILE 25 HA ILE 25 -6.372 -3.614 -2.246 186 HB ILE 25 HB ILE 25 -4.813 -1.479 -3.667 187 1HG1 ILE 25 2HG1 ILE 25 -3.953 -3.684 -4.069 188 2HG1 ILE 25 3HG1 ILE 25 -2.846 -2.713 -3.100 189 1HG2 ILE 25 1HG2 ILE 25 -5.257 -0.412 -1.659 190 2HG2 ILE 25 2HG2 ILE 25 -4.857 -1.862 -0.699 191 3HG2 ILE 25 3HG2 ILE 25 -3.598 -0.999 -1.629 192 1HD1 ILE 25 1HD1 ILE 25 -4.723 -4.921 -2.203 193 2HD1 ILE 25 2HD1 ILE 25 -2.964 -4.962 -2.238 194 3HD1 ILE 25 3HD1 ILE 25 -3.802 -3.880 -1.088 195 H GLY 26 HN GLY 26 -7.745 -1.013 -4.175 196 1HA GLY 26 1HA GLY 26 -9.023 0.496 -2.196 197 2HA GLY 26 2HA GLY 26 -9.662 0.152 -3.809 198 H LYS 27 HN LYS 27 -9.604 -2.974 -2.813 199 HA LYS 27 HA LYS 27 -12.321 -2.844 -1.672 200 1HB LYS 27 2HB LYS 27 -10.669 -4.899 -3.071 201 2HB LYS 27 3HB LYS 27 -11.851 -5.426 -1.913 202 1HG LYS 27 2HG LYS 27 -12.537 -3.441 -4.125 203 2HG LYS 27 3HG LYS 27 -12.561 -5.191 -4.337 204 1HD LYS 27 2HD LYS 27 -14.115 -5.338 -2.310 205 2HD LYS 27 3HD LYS 27 -14.293 -3.577 -2.431 206 1HE LYS 27 2HE LYS 27 -15.073 -3.876 -4.816 207 2HE LYS 27 3HE LYS 27 -14.959 -5.631 -4.602 208 1HZ LYS 27 1HZ LYS 27 -16.734 -3.827 -3.096 209 2HZ LYS 27 2HZ LYS 27 -17.185 -4.884 -4.270 210 3HZ LYS 27 3HZ LYS 27 -16.602 -5.448 -2.841 211 H LEU 28 HN LEU 28 -8.933 -3.135 -0.605 212 HA LEU 28 HA LEU 28 -9.346 -5.063 1.338 213 1HB LEU 28 2HB LEU 28 -7.367 -2.778 1.181 214 2HB LEU 28 3HB LEU 28 -7.305 -4.065 2.369 215 HG LEU 28 HG LEU 28 -6.026 -4.024 -0.107 216 1HD1 LEU 28 1HD1 LEU 28 -6.590 -6.254 1.843 217 2HD1 LEU 28 2HD1 LEU 28 -5.260 -6.236 0.646 218 3HD1 LEU 28 3HD1 LEU 28 -5.281 -5.046 1.970 219 1HD2 LEU 28 1HD2 LEU 28 -8.040 -4.924 -1.265 220 2HD2 LEU 28 2HD2 LEU 28 -6.768 -6.141 -1.163 221 3HD2 LEU 28 3HD2 LEU 28 -8.139 -6.215 -0.041 222 H GLN 29 HN GLN 29 -9.851 -5.007 3.436 223 HA GLN 29 HA GLN 29 -11.664 -2.914 4.188 224 1HB GLN 29 2HB GLN 29 -11.616 -5.506 4.815 225 2HB GLN 29 3HB GLN 29 -10.637 -4.956 6.178 226 1HG GLN 29 2HG GLN 29 -12.953 -4.997 6.889 227 2HG GLN 29 3HG GLN 29 -12.478 -3.298 6.711 228 1HE2 GLN 29 2HE2 GLN 29 -13.835 -5.920 4.593 229 2HE2 GLN 29 1HE2 GLN 29 -15.021 -4.861 3.848 230 H GLY 30 HN GLY 30 -11.104 -0.980 5.040 231 1HA GLY 30 1HA GLY 30 -10.125 0.221 6.902 232 2HA GLY 30 2HA GLY 30 -8.652 -0.755 6.762 233 H VAL 31 HN VAL 31 -9.112 -0.384 3.580 234 HA VAL 31 HA VAL 31 -7.269 1.861 3.553 235 HB VAL 31 HB VAL 31 -8.410 -0.185 1.622 236 1HG1 VAL 31 1HG1 VAL 31 -7.099 0.819 -0.221 237 2HG1 VAL 31 2HG1 VAL 31 -8.509 1.762 0.266 238 3HG1 VAL 31 3HG1 VAL 31 -6.873 2.283 0.769 239 1HG2 VAL 31 1HG2 VAL 31 -6.424 -0.739 3.028 240 2HG2 VAL 31 2HG2 VAL 31 -6.040 -0.726 1.296 241 3HG2 VAL 31 3HG2 VAL 31 -5.560 0.645 2.319 242 H GLN 32 HN GLN 32 -7.658 3.854 2.958 243 HA GLN 32 HA GLN 32 -10.414 4.703 2.257 244 1HB GLN 32 2HB GLN 32 -8.348 5.732 3.942 245 2HB GLN 32 3HB GLN 32 -8.800 6.953 2.729 246 1HG GLN 32 2HG GLN 32 -10.713 5.438 4.542 247 2HG GLN 32 3HG GLN 32 -10.027 7.034 4.878 248 1HE2 GLN 32 2HE2 GLN 32 -12.822 5.671 3.748 249 2HE2 GLN 32 1HE2 GLN 32 -13.351 6.964 2.678 250 H ARG 33 HN ARG 33 -6.939 5.121 1.216 251 HA ARG 33 HA ARG 33 -7.851 5.362 -1.562 252 1HB ARG 33 2HB ARG 33 -7.560 7.732 -0.047 253 2HB ARG 33 3HB ARG 33 -5.992 7.549 -0.815 254 1HG ARG 33 2HG ARG 33 -7.141 8.829 -2.345 255 2HG ARG 33 3HG ARG 33 -7.353 7.217 -3.033 256 1HD ARG 33 2HD ARG 33 -9.589 7.050 -1.957 257 2HD ARG 33 3HD ARG 33 -9.405 8.630 -1.224 258 HE ARG 33 HE ARG 33 -10.212 7.965 -3.913 259 1HH1 ARG 33 1HH2 ARG 33 -8.602 10.465 -2.040 260 2HH1 ARG 33 2HH2 ARG 33 -9.000 11.777 -3.111 261 1HH2 ARG 33 1HH1 ARG 33 -10.775 9.666 -5.374 262 2HH2 ARG 33 2HH1 ARG 33 -10.263 11.291 -5.071 263 H ILE 34 HN ILE 34 -5.970 5.379 -3.070 264 HA ILE 34 HA ILE 34 -3.396 4.514 -1.956 265 HB ILE 34 HB ILE 34 -4.516 2.429 -2.346 266 1HG1 ILE 34 2HG1 ILE 34 -2.860 2.706 -4.839 267 2HG1 ILE 34 3HG1 ILE 34 -2.068 2.979 -3.294 268 1HG2 ILE 34 1HG2 ILE 34 -5.436 1.763 -4.578 269 2HG2 ILE 34 2HG2 ILE 34 -6.323 3.120 -3.905 270 3HG2 ILE 34 3HG2 ILE 34 -5.133 3.379 -5.193 271 1HD1 ILE 34 1HD1 ILE 34 -3.611 0.433 -3.866 272 2HD1 ILE 34 2HD1 ILE 34 -1.858 0.620 -4.084 273 3HD1 ILE 34 3HD1 ILE 34 -2.591 0.789 -2.486 274 H LYS 35 HN LYS 35 -1.670 5.182 -3.172 275 HA LYS 35 HA LYS 35 -2.025 6.257 -5.922 276 1HB LYS 35 2HB LYS 35 -1.281 7.739 -3.458 277 2HB LYS 35 3HB LYS 35 0.013 7.768 -4.643 278 1HG LYS 35 2HG LYS 35 -1.284 9.689 -4.905 279 2HG LYS 35 3HG LYS 35 -1.453 8.688 -6.352 280 1HD LYS 35 2HD LYS 35 -3.650 7.990 -5.784 281 2HD LYS 35 3HD LYS 35 -3.528 8.555 -4.115 282 1HE LYS 35 2HE LYS 35 -3.556 10.324 -6.621 283 2HE LYS 35 3HE LYS 35 -4.961 9.987 -5.601 284 1HZ LYS 35 1HZ LYS 35 -2.523 11.396 -4.734 285 2HZ LYS 35 2HZ LYS 35 -3.985 12.076 -5.029 286 3HZ LYS 35 3HZ LYS 35 -3.802 11.037 -3.765 287 H VAL 36 HN VAL 36 -0.907 4.584 -6.966 288 HA VAL 36 HA VAL 36 1.740 3.724 -5.860 289 HB VAL 36 HB VAL 36 -0.033 2.526 -8.005 290 1HG1 VAL 36 1HG1 VAL 36 2.666 1.622 -6.884 291 2HG1 VAL 36 2HG1 VAL 36 1.600 0.612 -7.888 292 3HG1 VAL 36 3HG1 VAL 36 2.330 2.071 -8.565 293 1HG2 VAL 36 1HG2 VAL 36 -0.729 2.260 -5.558 294 2HG2 VAL 36 2HG2 VAL 36 -0.413 0.747 -6.429 295 3HG2 VAL 36 3HG2 VAL 36 0.787 1.391 -5.297 296 H SER 37 HN SER 37 3.247 5.389 -6.432 297 HA SER 37 HA SER 37 3.341 6.385 -9.148 298 1HB SER 37 2HB SER 37 4.811 6.802 -6.530 299 2HB SER 37 3HB SER 37 5.225 7.557 -8.044 300 HG SER 37 HG SER 37 3.820 8.966 -7.069 301 H LEU 38 HN LEU 38 3.766 4.211 -10.149 302 HA LEU 38 HA LEU 38 5.810 2.516 -9.494 303 1HB LEU 38 2HB LEU 38 3.950 2.619 -11.446 304 2HB LEU 38 3HB LEU 38 5.320 3.075 -12.435 305 HG LEU 38 HG LEU 38 4.654 0.728 -12.417 306 1HD1 LEU 38 1HD1 LEU 38 6.946 1.343 -13.103 307 2HD1 LEU 38 2HD1 LEU 38 7.509 1.147 -11.425 308 3HD1 LEU 38 3HD1 LEU 38 6.894 -0.247 -12.317 309 1HD2 LEU 38 1HD2 LEU 38 4.187 0.577 -9.897 310 2HD2 LEU 38 2HD2 LEU 38 4.967 -0.810 -10.678 311 3HD2 LEU 38 3HD2 LEU 38 5.932 0.305 -9.707 312 H ASP 39 HN ASP 39 6.089 5.476 -11.529 313 HA ASP 39 HA ASP 39 8.681 5.647 -12.276 314 1HB ASP 39 2HB ASP 39 7.261 7.812 -10.652 315 2HB ASP 39 3HB ASP 39 8.497 8.028 -11.876 316 H ASN 40 HN ASN 40 7.396 6.234 -9.003 317 HA ASN 40 HA ASN 40 9.996 7.036 -8.073 318 1HB ASN 40 2HB ASN 40 7.697 8.055 -7.376 319 2HB ASN 40 3HB ASN 40 7.585 6.673 -6.289 320 1HD2 ASN 40 2HD2 ASN 40 7.713 7.984 -4.370 321 2HD2 ASN 40 1HD2 ASN 40 9.186 8.862 -3.969 322 H GLN 41 HN GLN 41 8.392 4.100 -8.477 323 HA GLN 41 HA GLN 41 8.552 2.002 -7.782 324 1HB GLN 41 2HB GLN 41 11.195 2.717 -6.448 325 2HB GLN 41 3HB GLN 41 10.676 1.165 -7.144 326 1HG GLN 41 2HG GLN 41 10.362 2.396 -9.331 327 2HG GLN 41 3HG GLN 41 11.167 3.779 -8.586 328 1HE2 GLN 41 2HE2 GLN 41 12.385 3.036 -10.789 329 2HE2 GLN 41 1HE2 GLN 41 13.844 2.114 -10.449 330 H GLU 42 HN GLU 42 7.404 4.069 -6.153 331 HA GLU 42 HA GLU 42 7.124 2.683 -3.555 332 1HB GLU 42 2HB GLU 42 8.848 4.906 -3.921 333 2HB GLU 42 3HB GLU 42 7.402 5.625 -3.224 334 1HG GLU 42 2HG GLU 42 7.545 4.092 -1.300 335 2HG GLU 42 3HG GLU 42 8.764 3.126 -2.137 336 H ALA 43 HN ALA 43 5.188 2.996 -2.507 337 HA ALA 43 HA ALA 43 3.079 4.491 -4.036 338 1HB ALA 43 1HB ALA 43 2.886 2.136 -4.547 339 2HB ALA 43 2HB ALA 43 2.855 1.716 -2.839 340 3HB ALA 43 3HB ALA 43 1.530 2.674 -3.520 341 H THR 44 HN THR 44 1.317 5.294 -2.701 342 HA THR 44 HA THR 44 1.938 5.686 0.157 343 HB THR 44 HB THR 44 0.896 7.606 -1.989 344 HG1 THR 44 1HG THR 44 2.821 8.663 -1.700 345 1HG2 THR 44 1HG2 THR 44 1.420 7.967 0.984 346 2HG2 THR 44 2HG2 THR 44 1.047 9.293 -0.149 347 3HG2 THR 44 3HG2 THR 44 -0.155 8.024 0.153 348 H ILE 45 HN ILE 45 0.264 4.778 1.289 349 HA ILE 45 HA ILE 45 -2.419 4.733 0.017 350 HB ILE 45 HB ILE 45 -1.069 2.582 1.640 351 1HG1 ILE 45 2HG1 ILE 45 -2.190 2.498 -1.142 352 2HG1 ILE 45 3HG1 ILE 45 -0.505 2.938 -0.892 353 1HG2 ILE 45 1HG2 ILE 45 -3.411 2.569 2.301 354 2HG2 ILE 45 2HG2 ILE 45 -3.926 2.760 0.605 355 3HG2 ILE 45 3HG2 ILE 45 -3.172 1.288 1.134 356 1HD1 ILE 45 1HD1 ILE 45 -1.672 0.298 -0.084 357 2HD1 ILE 45 2HD1 ILE 45 -0.464 0.652 -1.336 358 3HD1 ILE 45 3HD1 ILE 45 -0.079 0.956 0.380 359 H VAL 46 HN VAL 46 -4.186 4.648 1.744 360 HA VAL 46 HA VAL 46 -3.370 5.901 4.283 361 HB VAL 46 HB VAL 46 -3.955 7.640 2.697 362 1HG1 VAL 46 1HG1 VAL 46 -6.611 6.412 2.822 363 2HG1 VAL 46 2HG1 VAL 46 -6.272 8.028 2.146 364 3HG1 VAL 46 3HG1 VAL 46 -5.512 6.585 1.430 365 1HG2 VAL 46 1HG2 VAL 46 -4.145 8.141 5.068 366 2HG2 VAL 46 2HG2 VAL 46 -5.534 8.841 4.240 367 3HG2 VAL 46 3HG2 VAL 46 -5.725 7.334 5.158 368 H TYR 47 HN TYR 47 -4.149 4.763 5.972 369 HA TYR 47 HA TYR 47 -6.748 3.497 5.878 370 1HB TYR 47 2HB TYR 47 -5.973 1.196 6.275 371 2HB TYR 47 3HB TYR 47 -5.300 1.755 4.753 372 HD1 TYR 47 1HD TYR 47 -4.416 1.366 8.427 373 HD2 TYR 47 2HD TYR 47 -3.032 1.152 4.359 374 HE1 TYR 47 1HE TYR 47 -2.123 1.304 9.228 375 HE2 TYR 47 2HE TYR 47 -0.822 0.409 5.228 376 HH TYR 47 HH TYR 47 0.036 0.836 8.689 377 H GLN 48 HN GLN 48 -7.115 2.324 8.178 378 HA GLN 48 HA GLN 48 -5.297 3.458 10.195 379 1HB GLN 48 2HB GLN 48 -7.014 4.644 10.892 380 2HB GLN 48 3HB GLN 48 -8.151 3.878 9.793 381 1HG GLN 48 2HG GLN 48 -8.620 2.128 11.292 382 2HG GLN 48 3HG GLN 48 -7.376 2.654 12.430 383 1HE2 GLN 48 2HE2 GLN 48 -9.130 2.677 14.073 384 2HE2 GLN 48 1HE2 GLN 48 -10.147 4.102 14.149 385 HA PRO 49 HA PRO 49 -4.670 -0.612 11.757 386 1HB PRO 49 2HB PRO 49 -3.779 -0.105 14.263 387 2HB PRO 49 3HB PRO 49 -2.865 0.446 12.837 388 1HG PRO 49 2HG PRO 49 -4.873 2.083 14.423 389 2HG PRO 49 3HG PRO 49 -3.174 2.481 14.083 390 1HD PRO 49 2HD PRO 49 -5.158 3.408 12.496 391 2HD PRO 49 3HD PRO 49 -3.657 2.811 11.744 392 H HIS 50 HN HIS 50 -7.061 -0.808 11.501 393 HA HIS 50 HA HIS 50 -8.185 -1.757 14.065 394 1HB HIS 50 2HB HIS 50 -9.096 0.479 14.069 395 2HB HIS 50 3HB HIS 50 -9.508 0.377 12.351 396 HD1 HIS 50 1HD HIS 50 -12.069 0.699 12.497 397 HD2 HIS 50 2HD HIS 50 -10.522 -2.340 14.967 398 HE1 HIS 50 1HE HIS 50 -14.070 -0.580 13.426 399 H LEU 51 HN LEU 51 -8.900 -1.102 10.622 400 HA LEU 51 HA LEU 51 -10.315 -3.668 10.394 401 1HB LEU 51 2HB LEU 51 -9.881 -1.335 8.566 402 2HB LEU 51 3HB LEU 51 -10.767 -2.789 8.074 403 HG LEU 51 HG LEU 51 -11.496 -1.203 10.549 404 1HD1 LEU 51 1HD1 LEU 51 -12.524 -0.738 7.725 405 2HD1 LEU 51 2HD1 LEU 51 -13.234 -0.040 9.198 406 3HD1 LEU 51 3HD1 LEU 51 -11.586 0.396 8.728 407 1HD2 LEU 51 1HD2 LEU 51 -12.514 -3.473 10.354 408 2HD2 LEU 51 2HD2 LEU 51 -13.709 -2.176 10.299 409 3HD2 LEU 51 3HD2 LEU 51 -13.231 -2.992 8.805 410 H ILE 52 HN ILE 52 -7.090 -2.325 9.698 411 HA ILE 52 HA ILE 52 -6.395 -4.833 8.327 412 HB ILE 52 HB ILE 52 -6.520 -2.758 6.900 413 1HG1 ILE 52 2HG1 ILE 52 -4.490 -3.216 5.703 414 2HG1 ILE 52 3HG1 ILE 52 -3.787 -4.121 7.052 415 1HG2 ILE 52 1HG2 ILE 52 -3.998 -2.035 8.388 416 2HG2 ILE 52 2HG2 ILE 52 -4.758 -1.160 7.041 417 3HG2 ILE 52 3HG2 ILE 52 -5.580 -1.261 8.618 418 1HD1 ILE 52 1HD1 ILE 52 -6.458 -4.886 5.817 419 2HD1 ILE 52 2HD1 ILE 52 -4.926 -5.431 5.101 420 3HD1 ILE 52 3HD1 ILE 52 -5.342 -5.901 6.765 421 H SER 53 HN SER 53 -4.362 -5.744 8.883 422 HA SER 53 HA SER 53 -3.658 -5.230 11.647 423 1HB SER 53 2HB SER 53 -2.671 -7.210 9.692 424 2HB SER 53 3HB SER 53 -2.341 -7.245 11.433 425 HG SER 53 HG SER 53 -4.251 -8.538 10.577 426 H VAL 54 HN VAL 54 -3.011 -3.261 9.707 427 HA VAL 54 HA VAL 54 -1.511 -1.636 9.311 428 HB VAL 54 HB VAL 54 -0.572 -2.854 11.758 429 1HG1 VAL 54 1HG1 VAL 54 1.543 -3.479 10.789 430 2HG1 VAL 54 2HG1 VAL 54 1.681 -1.902 9.955 431 3HG1 VAL 54 3HG1 VAL 54 1.767 -2.014 11.728 432 1HG2 VAL 54 1HG2 VAL 54 -1.562 -0.631 11.371 433 2HG2 VAL 54 2HG2 VAL 54 -0.061 -0.599 12.316 434 3HG2 VAL 54 3HG2 VAL 54 -0.037 -0.126 10.600 435 H GLU 55 HN GLU 55 0.256 -4.629 9.577 436 HA GLU 55 HA GLU 55 1.877 -3.975 7.296 437 1HB GLU 55 2HB GLU 55 2.591 -5.114 9.522 438 2HB GLU 55 3HB GLU 55 1.862 -6.557 8.780 439 1HG GLU 55 2HG GLU 55 3.271 -6.287 6.828 440 2HG GLU 55 3HG GLU 55 3.859 -4.682 7.398 441 H GLU 56 HN GLU 56 -0.861 -6.064 7.995 442 HA GLU 56 HA GLU 56 -0.785 -7.977 6.039 443 1HB GLU 56 2HB GLU 56 -2.917 -6.590 7.538 444 2HB GLU 56 3HB GLU 56 -3.400 -6.883 5.883 445 1HG GLU 56 2HG GLU 56 -2.512 -9.323 6.262 446 2HG GLU 56 3HG GLU 56 -2.812 -8.926 7.970 447 H MET 57 HN MET 57 -2.001 -4.671 5.650 448 HA MET 57 HA MET 57 -2.899 -4.588 3.098 449 1HB MET 57 2HB MET 57 -2.100 -2.741 5.100 450 2HB MET 57 3HB MET 57 -1.175 -2.232 3.701 451 1HG MET 57 2HG MET 57 -4.136 -2.804 3.400 452 2HG MET 57 3HG MET 57 -3.616 -1.339 4.213 453 1HE MET 57 1HE MET 57 -2.855 -3.334 0.912 454 2HE MET 57 2HE MET 57 -2.326 -2.006 -0.146 455 3HE MET 57 3HE MET 57 -1.303 -2.472 1.200 456 H LYS 58 HN LYS 58 0.501 -3.982 4.014 457 HA LYS 58 HA LYS 58 1.453 -4.015 1.286 458 1HB LYS 58 2HB LYS 58 2.511 -2.741 3.051 459 2HB LYS 58 3HB LYS 58 2.841 -4.177 3.999 460 1HG LYS 58 2HG LYS 58 3.916 -3.887 1.180 461 2HG LYS 58 3HG LYS 58 4.710 -3.018 2.483 462 1HD LYS 58 2HD LYS 58 4.314 -6.061 2.511 463 2HD LYS 58 3HD LYS 58 5.696 -5.258 1.824 464 1HE LYS 58 2HE LYS 58 6.426 -5.966 3.889 465 2HE LYS 58 3HE LYS 58 6.178 -4.229 4.048 466 1HZ LYS 58 1HZ LYS 58 4.121 -6.136 4.878 467 2HZ LYS 58 2HZ LYS 58 5.359 -5.767 5.875 468 3HZ LYS 58 3HZ LYS 58 4.328 -4.596 5.381 469 H LYS 59 HN LYS 59 1.307 -6.546 3.862 470 HA LYS 59 HA LYS 59 2.859 -8.461 2.424 471 1HB LYS 59 2HB LYS 59 0.602 -8.916 4.388 472 2HB LYS 59 3HB LYS 59 1.676 -10.152 3.744 473 1HG LYS 59 2HG LYS 59 2.427 -7.854 5.542 474 2HG LYS 59 3HG LYS 59 2.459 -9.571 5.893 475 1HD LYS 59 2HD LYS 59 4.230 -9.644 3.852 476 2HD LYS 59 3HD LYS 59 4.357 -7.934 4.142 477 1HE LYS 59 2HE LYS 59 6.048 -8.776 5.528 478 2HE LYS 59 3HE LYS 59 4.709 -8.623 6.679 479 1HZ LYS 59 1HZ LYS 59 5.567 -11.080 5.323 480 2HZ LYS 59 2HZ LYS 59 5.753 -10.710 6.916 481 3HZ LYS 59 3HZ LYS 59 4.247 -10.972 6.307 482 H GLN 60 HN GLN 60 -0.540 -7.497 1.981 483 HA GLN 60 HA GLN 60 -1.359 -9.756 0.453 484 1HB GLN 60 2HB GLN 60 -2.191 -6.853 0.262 485 2HB GLN 60 3HB GLN 60 -3.038 -8.207 -0.437 486 1HG GLN 60 2HG GLN 60 -2.488 -8.627 2.420 487 2HG GLN 60 3HG GLN 60 -3.300 -7.085 2.161 488 1HE2 GLN 60 2HE2 GLN 60 -4.784 -8.895 3.749 489 2HE2 GLN 60 1HE2 GLN 60 -6.003 -9.595 2.730 490 H ILE 61 HN ILE 61 0.080 -6.665 -0.358 491 HA ILE 61 HA ILE 61 0.364 -7.080 -3.195 492 HB ILE 61 HB ILE 61 1.851 -5.270 -1.323 493 1HG1 ILE 61 2HG1 ILE 61 0.693 -3.666 -3.124 494 2HG1 ILE 61 3HG1 ILE 61 -0.392 -5.019 -3.385 495 1HG2 ILE 61 1HG2 ILE 61 2.169 -5.474 -4.347 496 2HG2 ILE 61 2HG2 ILE 61 2.843 -4.209 -3.294 497 3HG2 ILE 61 3HG2 ILE 61 3.430 -5.865 -3.156 498 1HD1 ILE 61 1HD1 ILE 61 0.257 -3.807 -0.680 499 2HD1 ILE 61 2HD1 ILE 61 -1.122 -3.313 -1.676 500 3HD1 ILE 61 3HD1 ILE 61 -1.041 -4.969 -1.031 501 H GLU 62 HN GLU 62 2.621 -7.878 -0.496 502 HA GLU 62 HA GLU 62 4.812 -8.789 -2.067 503 1HB GLU 62 2HB GLU 62 3.929 -9.930 0.600 504 2HB GLU 62 3HB GLU 62 5.501 -10.044 -0.209 505 1HG GLU 62 2HG GLU 62 5.220 -7.402 -0.364 506 2HG GLU 62 3HG GLU 62 4.192 -7.625 1.022 507 H ALA 63 HN ALA 63 1.964 -10.440 -0.730 508 HA ALA 63 HA ALA 63 2.391 -13.034 -1.721 509 1HB ALA 63 1HB ALA 63 0.082 -13.414 -1.038 510 2HB ALA 63 2HB ALA 63 0.910 -12.375 0.151 511 3HB ALA 63 3HB ALA 63 -0.223 -11.662 -1.004 512 H MET 64 HN MET 64 1.257 -10.199 -3.521 513 HA MET 64 HA MET 64 -0.106 -11.647 -5.614 514 1HB MET 64 2HB MET 64 1.459 -9.041 -5.779 515 2HB MET 64 3HB MET 64 0.358 -9.670 -6.991 516 1HG MET 64 2HG MET 64 -0.545 -9.072 -4.169 517 2HG MET 64 3HG MET 64 -0.551 -7.848 -5.421 518 1HE MET 64 1HE MET 64 -3.446 -8.796 -7.700 519 2HE MET 64 2HE MET 64 -2.404 -7.493 -7.087 520 3HE MET 64 3HE MET 64 -1.686 -8.869 -7.962 521 H GLY 65 HN GLY 65 3.271 -11.138 -4.715 522 1HA GLY 65 1HA GLY 65 4.616 -13.096 -5.626 523 2HA GLY 65 2HA GLY 65 4.242 -12.449 -7.233 524 H PHE 66 HN PHE 66 4.335 -9.634 -6.282 525 HA PHE 66 HA PHE 66 7.198 -9.257 -6.769 526 1HB PHE 66 2HB PHE 66 4.890 -7.305 -6.466 527 2HB PHE 66 3HB PHE 66 6.545 -6.854 -6.811 528 HD1 PHE 66 1HD PHE 66 3.434 -7.809 -8.313 529 HD2 PHE 66 2HD PHE 66 7.704 -8.022 -8.854 530 HE1 PHE 66 1HE PHE 66 3.108 -8.288 -10.717 531 HE2 PHE 66 2HE PHE 66 7.384 -8.498 -11.248 532 HZ PHE 66 HZ PHE 66 5.084 -8.598 -12.211 533 HA PRO 67 HA PRO 67 7.462 -9.101 -2.186 534 1HB PRO 67 2HB PRO 67 10.132 -8.518 -1.902 535 2HB PRO 67 3HB PRO 67 9.523 -10.149 -2.308 536 1HG PRO 67 2HG PRO 67 10.550 -8.037 -4.220 537 2HG PRO 67 3HG PRO 67 11.012 -9.763 -4.150 538 1HD PRO 67 2HD PRO 67 9.167 -8.846 -5.898 539 2HD PRO 67 3HD PRO 67 8.927 -10.433 -5.101 540 H ALA 68 HN ALA 68 7.158 -7.348 -0.823 541 HA ALA 68 HA ALA 68 7.824 -4.618 -1.912 542 1HB ALA 68 1HB ALA 68 5.277 -5.274 -0.399 543 2HB ALA 68 2HB ALA 68 5.703 -3.763 -1.192 544 3HB ALA 68 3HB ALA 68 5.408 -5.200 -2.165 545 H PHE 69 HN PHE 69 7.032 -3.192 0.316 546 HA PHE 69 HA PHE 69 8.146 -4.212 2.735 547 1HB PHE 69 2HB PHE 69 10.163 -3.528 0.969 548 2HB PHE 69 3HB PHE 69 9.923 -2.004 1.792 549 HD1 PHE 69 1HD PHE 69 10.511 -1.784 4.202 550 HD2 PHE 69 2HD PHE 69 10.882 -5.562 2.144 551 HE1 PHE 69 1HE PHE 69 11.733 -2.722 6.136 552 HE2 PHE 69 2HE PHE 69 12.188 -6.461 4.043 553 HZ PHE 69 HZ PHE 69 12.605 -5.052 6.051 554 H VAL 70 HN VAL 70 8.009 -2.683 4.553 555 HA VAL 70 HA VAL 70 6.087 -0.548 4.072 556 HB VAL 70 HB VAL 70 6.376 -0.594 6.680 557 1HG1 VAL 70 1HG1 VAL 70 4.230 -0.721 5.531 558 2HG1 VAL 70 2HG1 VAL 70 4.555 -2.391 5.026 559 3HG1 VAL 70 3HG1 VAL 70 4.305 -2.008 6.744 560 1HG2 VAL 70 1HG2 VAL 70 6.716 -3.471 5.964 561 2HG2 VAL 70 2HG2 VAL 70 7.979 -2.421 6.640 562 3HG2 VAL 70 3HG2 VAL 70 6.513 -2.789 7.585 563 H LYS 71 HN LYS 71 6.855 1.558 4.085 564 HA LYS 71 HA LYS 71 9.499 2.093 5.428 565 1HB LYS 71 2HB LYS 71 8.134 3.571 3.152 566 2HB LYS 71 3HB LYS 71 9.429 4.244 4.158 567 1HG LYS 71 2HG LYS 71 10.873 2.305 3.602 568 2HG LYS 71 3HG LYS 71 9.628 1.689 2.501 569 1HD LYS 71 2HD LYS 71 9.891 3.474 0.992 570 2HD LYS 71 3HD LYS 71 10.594 4.552 2.208 571 1HE LYS 71 2HE LYS 71 12.664 3.202 2.284 572 2HE LYS 71 3HE LYS 71 12.002 2.103 1.067 573 1HZ LYS 71 1HZ LYS 71 12.545 4.982 0.672 574 2HZ LYS 71 2HZ LYS 71 13.439 3.744 0.056 575 3HZ LYS 71 3HZ LYS 71 11.893 4.007 -0.448 576 H LYS 72 HN LYS 72 6.426 3.852 4.822 577 HA LYS 72 HA LYS 72 6.709 5.039 7.569 578 1HB LYS 72 2HB LYS 72 5.440 5.978 5.053 579 2HB LYS 72 3HB LYS 72 4.527 6.266 6.537 580 1HG LYS 72 2HG LYS 72 6.521 7.401 7.516 581 2HG LYS 72 3HG LYS 72 7.408 7.075 6.022 582 1HD LYS 72 2HD LYS 72 6.649 9.330 5.881 583 2HD LYS 72 3HD LYS 72 5.640 8.391 4.765 584 1HE LYS 72 2HE LYS 72 3.827 8.324 6.561 585 2HE LYS 72 3HE LYS 72 4.875 9.303 7.594 586 1HZ LYS 72 1HZ LYS 72 3.735 10.101 4.999 587 2HZ LYS 72 2HZ LYS 72 3.251 10.608 6.481 588 3HZ LYS 72 3HZ LYS 72 4.733 11.041 5.919 589 H ILE 73 HN ILE 73 4.394 5.353 8.598 590 HA ILE 73 HA ILE 73 2.714 3.047 8.500 591 HB ILE 73 HB ILE 73 4.810 2.250 9.568 592 1HG1 ILE 73 2HG1 ILE 73 2.771 2.228 11.729 593 2HG1 ILE 73 3HG1 ILE 73 2.322 1.520 10.159 594 1HG2 ILE 73 1HG2 ILE 73 5.397 4.396 10.628 595 2HG2 ILE 73 2HG2 ILE 73 4.025 4.213 11.735 596 3HG2 ILE 73 3HG2 ILE 73 5.382 3.064 11.806 597 1HD1 ILE 73 1HD1 ILE 73 4.773 0.737 11.799 598 2HD1 ILE 73 2HD1 ILE 73 3.258 -0.177 11.688 599 3HD1 ILE 73 3HD1 ILE 73 4.274 0.025 10.246 600 H GLU 74 HN GLU 74 1.208 3.449 10.803 601 HA GLU 74 HA GLU 74 0.153 6.107 10.214 602 1HB GLU 74 2HB GLU 74 -1.598 5.634 11.745 603 2HB GLU 74 3HB GLU 74 -1.404 4.328 10.585 604 1HG GLU 74 2HG GLU 74 -0.103 4.163 13.352 605 2HG GLU 74 3HG GLU 74 -1.813 3.832 13.109 606 H GLY 75 HN GLY 75 -0.514 7.438 12.329 607 1HA GLY 75 1HA GLY 75 0.508 7.615 14.739 608 2HA GLY 75 2HA GLY 75 1.959 8.051 13.807 609 H ARG 76 HN ARG 76 1.764 10.201 14.873 610 HA ARG 76 HA ARG 76 0.761 12.236 13.305 611 1HB ARG 76 2HB ARG 76 -1.147 11.112 15.299 612 2HB ARG 76 3HB ARG 76 -0.748 12.796 15.636 613 1HG ARG 76 2HG ARG 76 -1.561 13.591 13.627 614 2HG ARG 76 3HG ARG 76 -1.472 12.021 12.813 615 1HD ARG 76 2HD ARG 76 -3.430 11.194 13.842 616 2HD ARG 76 3HD ARG 76 -3.277 12.295 15.209 617 HE ARG 76 HE ARG 76 -4.584 13.788 14.198 618 1HH1 ARG 76 1HH2 ARG 76 -3.159 11.823 11.658 619 2HH1 ARG 76 2HH2 ARG 76 -3.918 12.658 10.335 620 1HH2 ARG 76 1HH1 ARG 76 -5.611 14.946 12.499 621 2HH2 ARG 76 2HH1 ARG 76 -5.361 14.497 10.844 Start of MODEL 26 1 1H GLY 1 1H GLY 1 -6.959 9.062 12.834 2 2H GLY 1 2H GLY 1 -8.431 9.171 13.611 3 3H GLY 1 3H GLY 1 -7.860 7.730 12.999 4 1HA GLY 1 1HA GLY 1 -9.534 8.582 11.521 5 2HA GLY 1 2HA GLY 1 -8.551 10.059 11.346 6 H GLU 2 HN GLU 2 -8.910 8.816 8.936 7 HA GLU 2 HA GLU 2 -7.240 6.615 8.361 8 1HB GLU 2 2HB GLU 2 -7.579 7.165 6.065 9 2HB GLU 2 3HB GLU 2 -9.073 7.408 6.944 10 1HG GLU 2 2HG GLU 2 -8.677 9.870 6.972 11 2HG GLU 2 3HG GLU 2 -7.188 9.629 6.049 12 H VAL 3 HN VAL 3 -5.004 6.394 8.332 13 HA VAL 3 HA VAL 3 -3.378 8.837 8.397 14 HB VAL 3 HB VAL 3 -1.720 7.296 9.409 15 1HG1 VAL 3 1HG1 VAL 3 -2.717 9.219 10.610 16 2HG1 VAL 3 2HG1 VAL 3 -4.143 8.242 11.008 17 3HG1 VAL 3 3HG1 VAL 3 -2.565 7.833 11.704 18 1HG2 VAL 3 1HG2 VAL 3 -2.551 5.511 10.789 19 2HG2 VAL 3 2HG2 VAL 3 -4.205 5.851 10.212 20 3HG2 VAL 3 3HG2 VAL 3 -2.959 5.262 9.071 21 H VAL 4 HN VAL 4 -1.577 8.895 7.087 22 HA VAL 4 HA VAL 4 -1.768 7.378 4.645 23 HB VAL 4 HB VAL 4 -0.063 9.673 5.675 24 1HG1 VAL 4 1HG1 VAL 4 1.409 8.469 4.231 25 2HG1 VAL 4 2HG1 VAL 4 0.110 8.211 3.037 26 3HG1 VAL 4 3HG1 VAL 4 0.776 9.843 3.312 27 1HG2 VAL 4 1HG2 VAL 4 -2.425 10.179 5.044 28 2HG2 VAL 4 2HG2 VAL 4 -1.279 10.927 3.924 29 3HG2 VAL 4 3HG2 VAL 4 -2.144 9.454 3.446 30 H LEU 5 HN LEU 5 -0.338 5.854 3.928 31 HA LEU 5 HA LEU 5 1.982 5.033 5.604 32 1HB LEU 5 2HB LEU 5 0.679 3.315 6.070 33 2HB LEU 5 3HB LEU 5 -0.321 3.487 4.636 34 HG LEU 5 HG LEU 5 1.158 1.359 5.025 35 1HD1 LEU 5 1HD1 LEU 5 0.783 2.693 2.376 36 2HD1 LEU 5 2HD1 LEU 5 1.179 0.973 2.605 37 3HD1 LEU 5 3HD1 LEU 5 -0.347 1.609 3.241 38 1HD2 LEU 5 1HD2 LEU 5 3.393 2.771 4.901 39 2HD2 LEU 5 2HD2 LEU 5 3.244 1.154 4.210 40 3HD2 LEU 5 3HD2 LEU 5 3.081 2.554 3.161 41 H LYS 6 HN LYS 6 3.830 5.049 4.507 42 HA LYS 6 HA LYS 6 3.703 5.246 1.537 43 1HB LYS 6 2HB LYS 6 4.584 7.257 2.680 44 2HB LYS 6 3HB LYS 6 5.969 6.303 3.247 45 1HG LYS 6 2HG LYS 6 6.835 6.042 1.069 46 2HG LYS 6 3HG LYS 6 5.253 6.046 0.327 47 1HD LYS 6 2HD LYS 6 5.964 7.939 -0.454 48 2HD LYS 6 3HD LYS 6 5.071 8.558 0.924 49 1HE LYS 6 2HE LYS 6 7.074 9.066 2.154 50 2HE LYS 6 3HE LYS 6 8.049 7.948 1.185 51 1HZ LYS 6 1HZ LYS 6 6.919 10.391 0.059 52 2HZ LYS 6 2HZ LYS 6 8.489 10.185 0.530 53 3HZ LYS 6 3HZ LYS 6 7.874 9.217 -0.668 54 H MET 7 HN MET 7 4.672 3.609 0.410 55 HA MET 7 HA MET 7 6.405 1.656 1.842 56 1HB MET 7 2HB MET 7 5.084 -0.149 0.924 57 2HB MET 7 3HB MET 7 4.085 0.836 1.994 58 1HG MET 7 2HG MET 7 3.123 1.976 -0.039 59 2HG MET 7 3HG MET 7 4.122 0.906 -1.040 60 1HE MET 7 1HE MET 7 2.343 -0.189 -2.509 61 2HE MET 7 2HE MET 7 0.773 -0.731 -1.908 62 3HE MET 7 3HE MET 7 1.200 0.998 -1.845 63 H LYS 8 HN LYS 8 7.523 0.198 0.432 64 HA LYS 8 HA LYS 8 8.245 1.418 -2.170 65 1HB LYS 8 2HB LYS 8 9.669 -0.108 -0.129 66 2HB LYS 8 3HB LYS 8 9.710 -0.988 -1.644 67 1HG LYS 8 2HG LYS 8 10.652 1.868 -1.187 68 2HG LYS 8 3HG LYS 8 11.642 0.417 -1.414 69 1HD LYS 8 2HD LYS 8 10.092 0.316 -3.671 70 2HD LYS 8 3HD LYS 8 10.151 2.056 -3.442 71 1HE LYS 8 2HE LYS 8 12.689 0.346 -3.475 72 2HE LYS 8 3HE LYS 8 11.891 0.823 -4.969 73 1HZ LYS 8 1HZ LYS 8 12.900 2.696 -2.954 74 2HZ LYS 8 2HZ LYS 8 13.586 2.344 -4.412 75 3HZ LYS 8 3HZ LYS 8 12.135 3.107 -4.362 76 H VAL 9 HN VAL 9 7.871 0.327 -4.083 77 HA VAL 9 HA VAL 9 6.431 -2.285 -4.036 78 HB VAL 9 HB VAL 9 5.829 0.028 -5.936 79 1HG1 VAL 9 1HG1 VAL 9 5.297 -2.256 -6.770 80 2HG1 VAL 9 2HG1 VAL 9 4.355 -2.577 -5.300 81 3HG1 VAL 9 3HG1 VAL 9 3.826 -1.335 -6.454 82 1HG2 VAL 9 1HG2 VAL 9 3.672 0.213 -4.663 83 2HG2 VAL 9 2HG2 VAL 9 4.396 -0.795 -3.394 84 3HG2 VAL 9 3HG2 VAL 9 5.086 0.801 -3.775 85 H GLU 10 HN GLU 10 8.846 -2.791 -4.138 86 HA GLU 10 HA GLU 10 10.130 -2.256 -6.694 87 1HB GLU 10 2HB GLU 10 11.505 -4.280 -5.158 88 2HB GLU 10 3HB GLU 10 12.016 -2.668 -5.660 89 1HG GLU 10 2HG GLU 10 10.709 -1.756 -3.663 90 2HG GLU 10 3HG GLU 10 10.513 -3.451 -3.163 91 H GLY 11 HN GLY 11 11.124 -4.349 -7.787 92 1HA GLY 11 1HA GLY 11 10.874 -6.408 -8.755 93 2HA GLY 11 2HA GLY 11 9.618 -6.793 -7.576 94 H MET 12 HN MET 12 7.740 -4.724 -8.235 95 HA MET 12 HA MET 12 6.180 -5.793 -10.225 96 1HB MET 12 2HB MET 12 6.383 -3.103 -8.912 97 2HB MET 12 3HB MET 12 5.574 -3.124 -10.478 98 1HG MET 12 2HG MET 12 3.880 -3.381 -8.896 99 2HG MET 12 3HG MET 12 4.084 -4.931 -9.722 100 1HE MET 12 1HE MET 12 2.611 -6.136 -8.151 101 2HE MET 12 2HE MET 12 2.779 -6.176 -6.384 102 3HE MET 12 3HE MET 12 2.287 -4.670 -7.197 103 H THR 13 HN THR 13 5.857 -5.568 -12.378 104 HA THR 13 HA THR 13 7.897 -4.792 -14.193 105 HB THR 13 HB THR 13 6.237 -6.235 -15.018 106 HG1 THR 13 1HG THR 13 5.661 -3.694 -16.182 107 1HG2 THR 13 1HG2 THR 13 4.224 -4.151 -14.136 108 2HG2 THR 13 2HG2 THR 13 3.835 -5.484 -15.254 109 3HG2 THR 13 3HG2 THR 13 4.362 -5.839 -13.606 110 H CYS 14 HN CYS 14 8.168 -2.898 -15.422 111 HA CYS 14 HA CYS 14 7.361 -0.349 -14.351 112 1HB CYS 14 2HB CYS 14 8.475 -1.211 -17.032 113 2HB CYS 14 3HB CYS 14 8.081 0.477 -16.648 114 HG CYS 14 HG CYS 14 10.623 0.191 -16.419 115 H HIS 15 HN HIS 15 6.040 1.151 -15.523 116 HA HIS 15 HA HIS 15 3.711 1.527 -15.541 117 1HB HIS 15 2HB HIS 15 5.023 2.675 -17.237 118 2HB HIS 15 3HB HIS 15 4.798 1.327 -18.361 119 HD1 HIS 15 1HD HIS 15 2.355 3.615 -16.330 120 HD2 HIS 15 2HD HIS 15 2.903 1.775 -20.078 121 HE1 HIS 15 1HE HIS 15 0.333 4.239 -17.757 122 H SER 16 HN SER 16 2.712 -0.379 -14.703 123 HA SER 16 HA SER 16 0.640 -1.389 -16.385 124 1HB SER 16 2HB SER 16 3.022 -3.183 -15.864 125 2HB SER 16 3HB SER 16 1.393 -3.886 -15.918 126 HG SER 16 HG SER 16 2.448 -2.248 -17.971 127 H CYS 17 HN CYS 17 2.608 -2.559 -13.594 128 HA CYS 17 HA CYS 17 0.182 -3.307 -12.165 129 1HB CYS 17 2HB CYS 17 3.143 -3.560 -11.591 130 2HB CYS 17 3HB CYS 17 1.908 -3.930 -10.367 131 HG CYS 17 HG CYS 17 2.657 -6.153 -11.375 132 H THR 18 HN THR 18 -0.453 -0.899 -12.455 133 HA THR 18 HA THR 18 -0.141 0.314 -9.722 134 HB THR 18 HB THR 18 -0.929 2.441 -10.932 135 HG1 THR 18 1HG THR 18 -0.630 2.456 -13.175 136 1HG2 THR 18 1HG2 THR 18 1.768 1.272 -11.693 137 2HG2 THR 18 2HG2 THR 18 1.330 2.989 -11.864 138 3HG2 THR 18 3HG2 THR 18 1.398 2.241 -10.260 139 H SER 19 HN SER 19 -2.456 0.873 -12.381 140 HA SER 19 HA SER 19 -4.458 1.223 -10.623 141 1HB SER 19 2HB SER 19 -5.011 0.181 -13.435 142 2HB SER 19 3HB SER 19 -5.905 1.431 -12.534 143 HG SER 19 HG SER 19 -4.489 2.393 -14.055 144 H THR 20 HN THR 20 -3.762 -1.896 -12.029 145 HA THR 20 HA THR 20 -5.932 -3.302 -10.923 146 HB THR 20 HB THR 20 -2.979 -4.022 -11.331 147 HG1 THR 20 1HG THR 20 -5.317 -4.574 -12.844 148 1HG2 THR 20 1HG2 THR 20 -5.371 -5.724 -10.604 149 2HG2 THR 20 2HG2 THR 20 -3.848 -6.386 -11.278 150 3HG2 THR 20 3HG2 THR 20 -3.840 -5.540 -9.716 151 H ILE 21 HN ILE 21 -2.776 -2.471 -9.398 152 HA ILE 21 HA ILE 21 -3.380 -3.712 -6.881 153 HB ILE 21 HB ILE 21 -1.294 -1.794 -7.966 154 1HG1 ILE 21 2HG1 ILE 21 0.167 -3.594 -6.880 155 2HG1 ILE 21 3HG1 ILE 21 -1.286 -4.590 -6.747 156 1HG2 ILE 21 1HG2 ILE 21 -1.442 -2.477 -5.051 157 2HG2 ILE 21 2HG2 ILE 21 -0.185 -1.581 -5.956 158 3HG2 ILE 21 3HG2 ILE 21 -1.787 -0.871 -5.769 159 1HD1 ILE 21 1HD1 ILE 21 -0.154 -3.316 -9.258 160 2HD1 ILE 21 2HD1 ILE 21 0.114 -5.009 -8.784 161 3HD1 ILE 21 3HD1 ILE 21 -1.517 -4.466 -9.226 162 H GLU 22 HN GLU 22 -3.640 -0.346 -8.166 163 HA GLU 22 HA GLU 22 -4.516 0.837 -5.823 164 1HB GLU 22 2HB GLU 22 -5.344 1.598 -8.655 165 2HB GLU 22 3HB GLU 22 -5.513 2.590 -7.232 166 1HG GLU 22 2HG GLU 22 -2.912 2.137 -6.929 167 2HG GLU 22 3HG GLU 22 -2.973 1.773 -8.644 168 H GLY 23 HN GLY 23 -6.594 -0.099 -8.433 169 1HA GLY 23 1HA GLY 23 -9.145 -0.054 -7.338 170 2HA GLY 23 2HA GLY 23 -8.632 -1.231 -8.559 171 H LYS 24 HN LYS 24 -6.900 -2.902 -7.238 172 HA LYS 24 HA LYS 24 -8.676 -4.605 -5.829 173 1HB LYS 24 2HB LYS 24 -6.694 -5.370 -7.099 174 2HB LYS 24 3HB LYS 24 -5.632 -4.576 -5.946 175 1HG LYS 24 2HG LYS 24 -5.577 -6.855 -5.420 176 2HG LYS 24 3HG LYS 24 -6.555 -6.128 -4.143 177 1HD LYS 24 2HD LYS 24 -8.626 -6.882 -5.310 178 2HD LYS 24 3HD LYS 24 -7.634 -7.528 -6.639 179 1HE LYS 24 2HE LYS 24 -6.501 -9.065 -4.983 180 2HE LYS 24 3HE LYS 24 -7.599 -8.470 -3.725 181 1HZ LYS 24 1HZ LYS 24 -8.395 -9.895 -6.183 182 2HZ LYS 24 2HZ LYS 24 -8.354 -10.526 -4.668 183 3HZ LYS 24 3HZ LYS 24 -9.432 -9.341 -5.030 184 H ILE 25 HN ILE 25 -5.770 -2.862 -4.531 185 HA ILE 25 HA ILE 25 -6.208 -3.364 -1.803 186 HB ILE 25 HB ILE 25 -4.879 -1.177 -3.469 187 1HG1 ILE 25 2HG1 ILE 25 -2.855 -2.196 -3.149 188 2HG1 ILE 25 3HG1 ILE 25 -3.348 -2.983 -1.633 189 1HG2 ILE 25 1HG2 ILE 25 -3.584 -0.642 -1.433 190 2HG2 ILE 25 2HG2 ILE 25 -5.247 -0.035 -1.491 191 3HG2 ILE 25 3HG2 ILE 25 -4.837 -1.501 -0.507 192 1HD1 ILE 25 1HD1 ILE 25 -3.949 -3.934 -4.414 193 2HD1 ILE 25 2HD1 ILE 25 -2.889 -4.651 -3.191 194 3HD1 ILE 25 3HD1 ILE 25 -4.640 -4.601 -2.910 195 H GLY 26 HN GLY 26 -7.438 -0.764 -3.879 196 1HA GLY 26 1HA GLY 26 -8.627 0.923 -2.033 197 2HA GLY 26 2HA GLY 26 -9.224 0.604 -3.667 198 H LYS 27 HN LYS 27 -9.680 -2.436 -2.792 199 HA LYS 27 HA LYS 27 -12.375 -1.912 -1.712 200 1HB LYS 27 2HB LYS 27 -10.999 -4.180 -3.158 201 2HB LYS 27 3HB LYS 27 -12.460 -4.426 -2.223 202 1HG LYS 27 2HG LYS 27 -13.608 -2.648 -3.519 203 2HG LYS 27 3HG LYS 27 -12.150 -2.430 -4.509 204 1HD LYS 27 2HD LYS 27 -12.330 -4.675 -5.395 205 2HD LYS 27 3HD LYS 27 -13.598 -5.102 -4.221 206 1HE LYS 27 2HE LYS 27 -15.126 -3.417 -5.231 207 2HE LYS 27 3HE LYS 27 -13.887 -2.998 -6.426 208 1HZ LYS 27 1HZ LYS 27 -15.166 -5.642 -6.138 209 2HZ LYS 27 2HZ LYS 27 -15.524 -4.522 -7.285 210 3HZ LYS 27 3HZ LYS 27 -14.044 -5.235 -7.276 211 H LEU 28 HN LEU 28 -9.135 -2.895 -0.557 212 HA LEU 28 HA LEU 28 -10.033 -4.805 1.183 213 1HB LEU 28 2HB LEU 28 -7.636 -3.019 1.238 214 2HB LEU 28 3HB LEU 28 -7.919 -4.284 2.411 215 HG LEU 28 HG LEU 28 -6.608 -4.532 -0.057 216 1HD1 LEU 28 1HD1 LEU 28 -7.659 -6.505 1.975 217 2HD1 LEU 28 2HD1 LEU 28 -6.387 -6.891 0.798 218 3HD1 LEU 28 3HD1 LEU 28 -6.096 -5.639 2.032 219 1HD2 LEU 28 1HD2 LEU 28 -8.752 -4.977 -1.203 220 2HD2 LEU 28 2HD2 LEU 28 -7.745 -6.420 -1.140 221 3HD2 LEU 28 3HD2 LEU 28 -9.096 -6.267 -0.019 222 H GLN 29 HN GLN 29 -10.726 -4.826 3.139 223 HA GLN 29 HA GLN 29 -12.128 -2.753 4.379 224 1HB GLN 29 2HB GLN 29 -12.384 -4.253 6.256 225 2HB GLN 29 3HB GLN 29 -12.596 -5.063 4.700 226 1HG GLN 29 2HG GLN 29 -10.062 -5.676 4.944 227 2HG GLN 29 3HG GLN 29 -10.293 -5.257 6.643 228 1HE2 GLN 29 2HE2 GLN 29 -9.469 -7.755 6.316 229 2HE2 GLN 29 1HE2 GLN 29 -10.788 -8.906 6.426 230 H GLY 30 HN GLY 30 -11.177 -0.856 4.895 231 1HA GLY 30 1HA GLY 30 -10.085 0.126 6.949 232 2HA GLY 30 2HA GLY 30 -8.669 -0.860 6.552 233 H VAL 31 HN VAL 31 -9.132 -0.407 3.514 234 HA VAL 31 HA VAL 31 -7.397 1.904 3.531 235 HB VAL 31 HB VAL 31 -8.444 -0.119 1.503 236 1HG1 VAL 31 1HG1 VAL 31 -8.219 1.894 0.272 237 2HG1 VAL 31 2HG1 VAL 31 -6.636 2.257 1.017 238 3HG1 VAL 31 3HG1 VAL 31 -6.824 0.872 -0.091 239 1HG2 VAL 31 1HG2 VAL 31 -6.704 -0.909 3.111 240 2HG2 VAL 31 2HG2 VAL 31 -6.087 -0.845 1.455 241 3HG2 VAL 31 3HG2 VAL 31 -5.650 0.431 2.610 242 H GLN 32 HN GLN 32 -7.861 3.875 2.866 243 HA GLN 32 HA GLN 32 -10.628 4.573 2.061 244 1HB GLN 32 2HB GLN 32 -8.692 5.701 3.841 245 2HB GLN 32 3HB GLN 32 -9.184 6.912 2.640 246 1HG GLN 32 2HG GLN 32 -11.048 5.193 4.320 247 2HG GLN 32 3HG GLN 32 -10.538 6.819 4.761 248 1HE2 GLN 32 2HE2 GLN 32 -13.304 5.956 4.255 249 2HE2 GLN 32 1HE2 GLN 32 -13.867 6.899 2.886 250 H ARG 33 HN ARG 33 -7.142 5.150 1.168 251 HA ARG 33 HA ARG 33 -8.000 5.390 -1.635 252 1HB ARG 33 2HB ARG 33 -7.767 7.706 -0.031 253 2HB ARG 33 3HB ARG 33 -6.213 7.608 -0.826 254 1HG ARG 33 2HG ARG 33 -7.245 8.780 -2.482 255 2HG ARG 33 3HG ARG 33 -7.789 7.194 -3.013 256 1HD ARG 33 2HD ARG 33 -9.621 8.799 -2.971 257 2HD ARG 33 3HD ARG 33 -9.920 7.519 -1.775 258 HE ARG 33 HE ARG 33 -8.638 9.436 -0.293 259 1HH1 ARG 33 1HH2 ARG 33 -11.538 9.486 -2.283 260 2HH1 ARG 33 2HH2 ARG 33 -12.344 10.708 -1.349 261 1HH2 ARG 33 1HH1 ARG 33 -9.731 10.892 1.073 262 2HH2 ARG 33 2HH1 ARG 33 -11.251 11.562 0.595 263 H ILE 34 HN ILE 34 -6.135 5.467 -3.112 264 HA ILE 34 HA ILE 34 -3.526 4.711 -2.003 265 HB ILE 34 HB ILE 34 -4.529 2.589 -2.277 266 1HG1 ILE 34 2HG1 ILE 34 -3.002 2.911 -4.860 267 2HG1 ILE 34 3HG1 ILE 34 -2.175 3.179 -3.330 268 1HG2 ILE 34 1HG2 ILE 34 -5.619 1.744 -4.257 269 2HG2 ILE 34 2HG2 ILE 34 -6.453 3.206 -3.798 270 3HG2 ILE 34 3HG2 ILE 34 -5.323 3.221 -5.161 271 1HD1 ILE 34 1HD1 ILE 34 -3.556 0.560 -4.016 272 2HD1 ILE 34 2HD1 ILE 34 -1.817 0.883 -4.086 273 3HD1 ILE 34 3HD1 ILE 34 -2.681 0.947 -2.556 274 H LYS 35 HN LYS 35 -1.838 5.501 -3.152 275 HA LYS 35 HA LYS 35 -2.214 6.290 -5.994 276 1HB LYS 35 2HB LYS 35 -0.679 7.867 -3.865 277 2HB LYS 35 3HB LYS 35 -0.579 8.102 -5.605 278 1HG LYS 35 2HG LYS 35 -1.989 9.768 -5.066 279 2HG LYS 35 3HG LYS 35 -3.154 8.515 -5.516 280 1HD LYS 35 2HD LYS 35 -3.648 8.070 -3.171 281 2HD LYS 35 3HD LYS 35 -2.255 9.031 -2.637 282 1HE LYS 35 2HE LYS 35 -3.309 11.085 -3.581 283 2HE LYS 35 3HE LYS 35 -4.703 10.128 -4.110 284 1HZ LYS 35 1HZ LYS 35 -3.838 10.513 -1.315 285 2HZ LYS 35 2HZ LYS 35 -5.107 11.259 -2.042 286 3HZ LYS 35 3HZ LYS 35 -5.141 9.632 -1.799 287 H VAL 36 HN VAL 36 -0.918 4.786 -7.031 288 HA VAL 36 HA VAL 36 1.661 3.937 -5.750 289 HB VAL 36 HB VAL 36 -0.009 2.679 -7.952 290 1HG1 VAL 36 1HG1 VAL 36 2.436 2.180 -8.247 291 2HG1 VAL 36 2HG1 VAL 36 2.512 1.651 -6.562 292 3HG1 VAL 36 3HG1 VAL 36 1.513 0.758 -7.732 293 1HG2 VAL 36 1HG2 VAL 36 0.552 1.787 -5.088 294 2HG2 VAL 36 2HG2 VAL 36 -0.965 2.500 -5.658 295 3HG2 VAL 36 3HG2 VAL 36 -0.437 0.937 -6.296 296 H SER 37 HN SER 37 3.361 5.227 -6.391 297 HA SER 37 HA SER 37 3.438 6.191 -9.215 298 1HB SER 37 2HB SER 37 3.930 7.848 -7.528 299 2HB SER 37 3HB SER 37 5.216 6.822 -6.861 300 HG SER 37 HG SER 37 5.635 8.545 -8.649 301 H LEU 38 HN LEU 38 3.685 4.135 -10.180 302 HA LEU 38 HA LEU 38 5.646 2.241 -9.467 303 1HB LEU 38 2HB LEU 38 3.857 2.599 -11.658 304 2HB LEU 38 3HB LEU 38 5.453 2.486 -12.385 305 HG LEU 38 HG LEU 38 4.165 0.442 -10.521 306 1HD1 LEU 38 1HD1 LEU 38 3.407 0.628 -12.969 307 2HD1 LEU 38 2HD1 LEU 38 5.046 0.114 -13.378 308 3HD1 LEU 38 3HD1 LEU 38 3.999 -0.950 -12.417 309 1HD2 LEU 38 1HD2 LEU 38 6.173 -0.967 -11.092 310 2HD2 LEU 38 2HD2 LEU 38 6.929 0.447 -11.845 311 3HD2 LEU 38 3HD2 LEU 38 6.619 0.413 -10.100 312 H ASP 39 HN ASP 39 5.827 5.116 -11.635 313 HA ASP 39 HA ASP 39 8.404 5.300 -12.414 314 1HB ASP 39 2HB ASP 39 6.869 7.544 -11.021 315 2HB ASP 39 3HB ASP 39 8.153 7.705 -12.195 316 H ASN 40 HN ASN 40 7.185 6.557 -9.237 317 HA ASN 40 HA ASN 40 9.853 7.101 -8.495 318 1HB ASN 40 2HB ASN 40 7.800 8.362 -7.710 319 2HB ASN 40 3HB ASN 40 7.559 7.059 -6.533 320 1HD2 ASN 40 2HD2 ASN 40 8.497 7.581 -4.502 321 2HD2 ASN 40 1HD2 ASN 40 9.887 8.624 -4.333 322 H GLN 41 HN GLN 41 8.081 4.227 -8.505 323 HA GLN 41 HA GLN 41 8.277 2.157 -7.747 324 1HB GLN 41 2HB GLN 41 10.840 2.867 -6.285 325 2HB GLN 41 3HB GLN 41 10.310 1.292 -6.910 326 1HG GLN 41 2HG GLN 41 10.319 2.292 -9.200 327 2HG GLN 41 3HG GLN 41 11.040 3.749 -8.510 328 1HE2 GLN 41 2HE2 GLN 41 12.315 2.094 -10.529 329 2HE2 GLN 41 1HE2 GLN 41 13.784 1.465 -9.803 330 H GLU 42 HN GLU 42 7.435 4.588 -6.129 331 HA GLU 42 HA GLU 42 7.213 3.369 -3.411 332 1HB GLU 42 2HB GLU 42 8.731 5.546 -3.922 333 2HB GLU 42 3HB GLU 42 7.159 6.354 -3.711 334 1HG GLU 42 2HG GLU 42 6.955 5.334 -1.465 335 2HG GLU 42 3HG GLU 42 8.473 4.470 -1.717 336 H ALA 43 HN ALA 43 5.217 3.595 -2.369 337 HA ALA 43 HA ALA 43 2.959 4.775 -3.954 338 1HB ALA 43 1HB ALA 43 3.081 2.044 -2.690 339 2HB ALA 43 2HB ALA 43 1.605 2.820 -3.320 340 3HB ALA 43 3HB ALA 43 2.947 2.415 -4.418 341 H THR 44 HN THR 44 1.143 5.373 -2.636 342 HA THR 44 HA THR 44 1.709 5.836 0.215 343 HB THR 44 HB THR 44 0.985 7.771 -2.023 344 HG1 THR 44 1HG THR 44 3.154 7.380 -0.259 345 1HG2 THR 44 1HG2 THR 44 1.018 8.197 0.979 346 2HG2 THR 44 2HG2 THR 44 0.897 9.489 -0.242 347 3HG2 THR 44 3HG2 THR 44 -0.403 8.289 -0.094 348 H ILE 45 HN ILE 45 0.040 4.814 1.231 349 HA ILE 45 HA ILE 45 -2.659 4.830 -0.041 350 HB ILE 45 HB ILE 45 -1.369 2.744 1.690 351 1HG1 ILE 45 2HG1 ILE 45 -2.454 2.556 -1.113 352 2HG1 ILE 45 3HG1 ILE 45 -0.761 2.976 -0.848 353 1HG2 ILE 45 1HG2 ILE 45 -4.204 2.844 0.589 354 2HG2 ILE 45 2HG2 ILE 45 -3.478 1.402 1.219 355 3HG2 ILE 45 3HG2 ILE 45 -3.729 2.731 2.305 356 1HD1 ILE 45 1HD1 ILE 45 -2.037 0.417 0.061 357 2HD1 ILE 45 2HD1 ILE 45 -0.891 0.640 -1.242 358 3HD1 ILE 45 3HD1 ILE 45 -0.385 0.968 0.442 359 H VAL 46 HN VAL 46 -4.419 4.663 1.787 360 HA VAL 46 HA VAL 46 -3.587 5.984 4.258 361 HB VAL 46 HB VAL 46 -4.142 7.698 2.555 362 1HG1 VAL 46 1HG1 VAL 46 -6.451 8.189 2.144 363 2HG1 VAL 46 2HG1 VAL 46 -5.910 6.599 1.548 364 3HG1 VAL 46 3HG1 VAL 46 -6.889 6.712 3.042 365 1HG2 VAL 46 1HG2 VAL 46 -5.523 9.029 4.200 366 2HG2 VAL 46 2HG2 VAL 46 -5.643 7.553 5.185 367 3HG2 VAL 46 3HG2 VAL 46 -4.065 8.304 4.896 368 H TYR 47 HN TYR 47 -4.464 4.938 5.990 369 HA TYR 47 HA TYR 47 -7.016 3.590 5.871 370 1HB TYR 47 2HB TYR 47 -6.271 1.310 6.037 371 2HB TYR 47 3HB TYR 47 -5.441 1.980 4.641 372 HD1 TYR 47 1HD TYR 47 -5.066 0.685 8.055 373 HD2 TYR 47 2HD TYR 47 -2.991 2.175 4.618 374 HE1 TYR 47 1HE TYR 47 -2.950 0.640 9.351 375 HE2 TYR 47 2HE TYR 47 -0.856 1.627 5.756 376 HH TYR 47 HH TYR 47 -0.659 1.362 9.306 377 H GLN 48 HN GLN 48 -7.105 2.092 8.161 378 HA GLN 48 HA GLN 48 -5.225 3.209 10.108 379 1HB GLN 48 2HB GLN 48 -8.292 3.019 10.214 380 2HB GLN 48 3HB GLN 48 -7.376 2.759 11.678 381 1HG GLN 48 2HG GLN 48 -6.213 5.024 11.094 382 2HG GLN 48 3HG GLN 48 -7.617 5.274 10.051 383 1HE2 GLN 48 2HE2 GLN 48 -9.655 4.065 11.625 384 2HE2 GLN 48 1HE2 GLN 48 -9.836 4.983 13.106 385 HA PRO 49 HA PRO 49 -4.647 -0.927 11.627 386 1HB PRO 49 2HB PRO 49 -3.763 -0.405 14.154 387 2HB PRO 49 3HB PRO 49 -2.780 -0.039 12.725 388 1HG PRO 49 2HG PRO 49 -4.546 1.875 14.257 389 2HG PRO 49 3HG PRO 49 -2.842 2.105 13.765 390 1HD PRO 49 2HD PRO 49 -4.895 3.112 12.324 391 2HD PRO 49 3HD PRO 49 -3.444 2.453 11.511 392 H HIS 50 HN HIS 50 -7.028 -0.958 11.337 393 HA HIS 50 HA HIS 50 -8.438 -1.496 13.905 394 1HB HIS 50 2HB HIS 50 -9.061 0.778 13.500 395 2HB HIS 50 3HB HIS 50 -9.231 0.514 11.764 396 HD1 HIS 50 1HD HIS 50 -11.732 1.187 11.507 397 HD2 HIS 50 2HD HIS 50 -10.978 -1.748 14.432 398 HE1 HIS 50 1HE HIS 50 -14.000 0.273 12.231 399 H LEU 51 HN LEU 51 -8.986 -1.261 10.370 400 HA LEU 51 HA LEU 51 -10.362 -3.881 10.404 401 1HB LEU 51 2HB LEU 51 -10.024 -1.714 8.346 402 2HB LEU 51 3HB LEU 51 -10.840 -3.249 8.007 403 HG LEU 51 HG LEU 51 -11.729 -1.539 10.334 404 1HD1 LEU 51 1HD1 LEU 51 -13.446 -0.532 8.828 405 2HD1 LEU 51 2HD1 LEU 51 -11.801 -0.012 8.450 406 3HD1 LEU 51 3HD1 LEU 51 -12.601 -1.236 7.434 407 1HD2 LEU 51 1HD2 LEU 51 -12.613 -3.857 10.173 408 2HD2 LEU 51 2HD2 LEU 51 -13.886 -2.655 9.924 409 3HD2 LEU 51 3HD2 LEU 51 -13.198 -3.511 8.531 410 H ILE 52 HN ILE 52 -7.159 -2.551 9.585 411 HA ILE 52 HA ILE 52 -6.443 -5.119 8.330 412 HB ILE 52 HB ILE 52 -6.638 -3.185 6.777 413 1HG1 ILE 52 2HG1 ILE 52 -4.478 -3.495 5.723 414 2HG1 ILE 52 3HG1 ILE 52 -3.830 -4.332 7.139 415 1HG2 ILE 52 1HG2 ILE 52 -4.995 -1.455 6.842 416 2HG2 ILE 52 2HG2 ILE 52 -5.900 -1.487 8.374 417 3HG2 ILE 52 3HG2 ILE 52 -4.248 -2.146 8.304 418 1HD1 ILE 52 1HD1 ILE 52 -6.363 -5.186 5.673 419 2HD1 ILE 52 2HD1 ILE 52 -4.747 -5.753 5.185 420 3HD1 ILE 52 3HD1 ILE 52 -5.379 -6.135 6.805 421 H SER 53 HN SER 53 -4.425 -6.036 9.077 422 HA SER 53 HA SER 53 -3.826 -5.204 11.770 423 1HB SER 53 2HB SER 53 -2.576 -7.285 10.106 424 2HB SER 53 3HB SER 53 -2.418 -7.134 11.869 425 HG SER 53 HG SER 53 -4.732 -7.767 10.352 426 H VAL 54 HN VAL 54 -3.138 -3.356 9.758 427 HA VAL 54 HA VAL 54 -1.658 -1.747 9.319 428 HB VAL 54 HB VAL 54 -0.871 -2.580 11.885 429 1HG1 VAL 54 1HG1 VAL 54 1.568 -2.094 11.862 430 2HG1 VAL 54 2HG1 VAL 54 1.177 -3.642 11.103 431 3HG1 VAL 54 3HG1 VAL 54 1.544 -2.218 10.091 432 1HG2 VAL 54 1HG2 VAL 54 0.097 -0.206 10.308 433 2HG2 VAL 54 2HG2 VAL 54 -1.540 -0.365 10.983 434 3HG2 VAL 54 3HG2 VAL 54 -0.129 -0.319 12.067 435 H GLU 55 HN GLU 55 0.109 -4.800 9.687 436 HA GLU 55 HA GLU 55 1.638 -4.105 7.325 437 1HB GLU 55 2HB GLU 55 2.139 -5.558 9.682 438 2HB GLU 55 3HB GLU 55 2.048 -6.771 8.422 439 1HG GLU 55 2HG GLU 55 3.570 -5.117 7.017 440 2HG GLU 55 3HG GLU 55 3.795 -4.233 8.534 441 H GLU 56 HN GLU 56 -1.114 -6.230 8.059 442 HA GLU 56 HA GLU 56 -0.971 -8.119 6.004 443 1HB GLU 56 2HB GLU 56 -3.187 -6.538 7.274 444 2HB GLU 56 3HB GLU 56 -3.543 -7.565 5.879 445 1HG GLU 56 2HG GLU 56 -2.795 -9.543 6.972 446 2HG GLU 56 3HG GLU 56 -2.266 -8.642 8.400 447 H MET 57 HN MET 57 -2.065 -4.745 5.832 448 HA MET 57 HA MET 57 -2.863 -4.411 3.261 449 1HB MET 57 2HB MET 57 -2.084 -2.793 5.431 450 2HB MET 57 3HB MET 57 -1.029 -2.233 4.144 451 1HG MET 57 2HG MET 57 -4.005 -2.567 3.666 452 2HG MET 57 3HG MET 57 -3.402 -1.200 4.581 453 1HE MET 57 1HE MET 57 -2.328 -1.800 0.145 454 2HE MET 57 2HE MET 57 -1.263 -2.450 1.379 455 3HE MET 57 3HE MET 57 -2.935 -3.084 1.204 456 H LYS 58 HN LYS 58 0.583 -3.911 4.235 457 HA LYS 58 HA LYS 58 1.458 -3.865 1.488 458 1HB LYS 58 2HB LYS 58 2.686 -2.757 3.403 459 2HB LYS 58 3HB LYS 58 2.973 -4.349 4.102 460 1HG LYS 58 2HG LYS 58 4.988 -3.782 3.134 461 2HG LYS 58 3HG LYS 58 4.341 -4.944 2.012 462 1HD LYS 58 2HD LYS 58 3.924 -1.956 1.618 463 2HD LYS 58 3HD LYS 58 5.469 -2.717 1.226 464 1HE LYS 58 2HE LYS 58 4.289 -4.328 -0.287 465 2HE LYS 58 3HE LYS 58 2.815 -3.385 -0.056 466 1HZ LYS 58 1HZ LYS 58 5.283 -2.196 -1.155 467 2HZ LYS 58 2HZ LYS 58 4.007 -2.749 -2.032 468 3HZ LYS 58 3HZ LYS 58 3.805 -1.515 -0.971 469 H LYS 59 HN LYS 59 1.360 -6.403 3.989 470 HA LYS 59 HA LYS 59 2.848 -8.302 2.480 471 1HB LYS 59 2HB LYS 59 1.040 -8.392 4.868 472 2HB LYS 59 3HB LYS 59 1.359 -9.906 4.019 473 1HG LYS 59 2HG LYS 59 2.979 -9.461 5.850 474 2HG LYS 59 3HG LYS 59 3.701 -9.723 4.255 475 1HD LYS 59 2HD LYS 59 4.071 -7.252 4.001 476 2HD LYS 59 3HD LYS 59 3.351 -6.997 5.595 477 1HE LYS 59 2HE LYS 59 5.135 -8.255 6.673 478 2HE LYS 59 3HE LYS 59 5.692 -8.908 5.130 479 1HZ LYS 59 1HZ LYS 59 5.954 -6.179 6.098 480 2HZ LYS 59 2HZ LYS 59 7.131 -7.223 5.695 481 3HZ LYS 59 3HZ LYS 59 6.210 -6.612 4.464 482 H GLN 60 HN GLN 60 -0.493 -7.233 2.028 483 HA GLN 60 HA GLN 60 -1.235 -9.541 0.485 484 1HB GLN 60 2HB GLN 60 -3.168 -8.550 0.162 485 2HB GLN 60 3HB GLN 60 -2.642 -7.408 1.395 486 1HG GLN 60 2HG GLN 60 -1.820 -5.900 -0.400 487 2HG GLN 60 3HG GLN 60 -2.352 -7.061 -1.627 488 1HE2 GLN 60 2HE2 GLN 60 -4.671 -7.558 -1.758 489 2HE2 GLN 60 1HE2 GLN 60 -5.789 -6.267 -1.325 490 H ILE 61 HN ILE 61 0.605 -6.612 -0.169 491 HA ILE 61 HA ILE 61 0.680 -7.012 -3.034 492 HB ILE 61 HB ILE 61 2.127 -5.148 -1.216 493 1HG1 ILE 61 2HG1 ILE 61 0.852 -3.654 -3.192 494 2HG1 ILE 61 3HG1 ILE 61 -0.243 -5.027 -3.041 495 1HG2 ILE 61 1HG2 ILE 61 3.729 -5.717 -3.017 496 2HG2 ILE 61 2HG2 ILE 61 2.453 -5.487 -4.228 497 3HG2 ILE 61 3HG2 ILE 61 3.079 -4.105 -3.317 498 1HD1 ILE 61 1HD1 ILE 61 0.643 -3.063 -0.906 499 2HD1 ILE 61 2HD1 ILE 61 -1.004 -3.440 -1.463 500 3HD1 ILE 61 3HD1 ILE 61 -0.082 -4.629 -0.515 501 H GLU 62 HN GLU 62 2.887 -7.606 -0.275 502 HA GLU 62 HA GLU 62 5.088 -8.639 -1.792 503 1HB GLU 62 2HB GLU 62 4.163 -9.382 1.019 504 2HB GLU 62 3HB GLU 62 5.733 -9.751 0.319 505 1HG GLU 62 2HG GLU 62 6.308 -7.396 0.130 506 2HG GLU 62 3HG GLU 62 4.699 -6.899 0.681 507 H ALA 63 HN ALA 63 2.220 -10.179 -0.337 508 HA ALA 63 HA ALA 63 2.648 -12.827 -1.167 509 1HB ALA 63 1HB ALA 63 1.124 -12.169 0.617 510 2HB ALA 63 2HB ALA 63 0.087 -11.327 -0.555 511 3HB ALA 63 3HB ALA 63 0.248 -13.098 -0.619 512 H MET 64 HN MET 64 1.568 -10.109 -3.202 513 HA MET 64 HA MET 64 0.264 -11.730 -5.205 514 1HB MET 64 2HB MET 64 1.916 -9.189 -5.541 515 2HB MET 64 3HB MET 64 0.901 -9.932 -6.763 516 1HG MET 64 2HG MET 64 -0.078 -8.825 -4.133 517 2HG MET 64 3HG MET 64 -0.186 -7.989 -5.668 518 1HE MET 64 1HE MET 64 -1.898 -8.511 -7.533 519 2HE MET 64 2HE MET 64 -1.234 -10.155 -7.718 520 3HE MET 64 3HE MET 64 -2.985 -9.919 -7.531 521 H GLY 65 HN GLY 65 3.585 -11.218 -4.179 522 1HA GLY 65 1HA GLY 65 4.992 -13.213 -4.654 523 2HA GLY 65 2HA GLY 65 4.604 -13.013 -6.371 524 H PHE 66 HN PHE 66 4.630 -9.969 -5.877 525 HA PHE 66 HA PHE 66 7.353 -9.638 -6.789 526 1HB PHE 66 2HB PHE 66 5.128 -7.679 -6.189 527 2HB PHE 66 3HB PHE 66 6.699 -7.218 -6.832 528 HD1 PHE 66 1HD PHE 66 7.531 -8.357 -8.989 529 HD2 PHE 66 2HD PHE 66 3.419 -8.545 -7.714 530 HE1 PHE 66 1HE PHE 66 6.856 -8.912 -11.279 531 HE2 PHE 66 2HE PHE 66 2.733 -9.092 -10.030 532 HZ PHE 66 HZ PHE 66 4.440 -9.247 -11.835 533 HA PRO 67 HA PRO 67 8.680 -9.055 -2.470 534 1HB PRO 67 2HB PRO 67 11.277 -8.248 -2.875 535 2HB PRO 67 3HB PRO 67 10.733 -9.941 -3.063 536 1HG PRO 67 2HG PRO 67 11.074 -7.860 -5.237 537 2HG PRO 67 3HG PRO 67 11.689 -9.540 -5.226 538 1HD PRO 67 2HD PRO 67 9.394 -8.873 -6.493 539 2HD PRO 67 3HD PRO 67 9.500 -10.421 -5.603 540 H ALA 68 HN ALA 68 7.713 -7.348 -1.512 541 HA ALA 68 HA ALA 68 8.430 -4.578 -2.358 542 1HB ALA 68 1HB ALA 68 6.160 -5.261 -3.058 543 2HB ALA 68 2HB ALA 68 5.769 -5.663 -1.374 544 3HB ALA 68 3HB ALA 68 6.153 -3.977 -1.839 545 H PHE 69 HN PHE 69 7.356 -3.230 -0.122 546 HA PHE 69 HA PHE 69 8.394 -4.362 2.243 547 1HB PHE 69 2HB PHE 69 10.549 -4.162 0.849 548 2HB PHE 69 3HB PHE 69 10.301 -2.426 0.840 549 HD1 PHE 69 1HD PHE 69 10.512 -5.375 3.170 550 HD2 PHE 69 2HD PHE 69 11.351 -1.180 2.601 551 HE1 PHE 69 1HE PHE 69 11.585 -5.278 5.407 552 HE2 PHE 69 2HE PHE 69 12.436 -1.099 4.819 553 HZ PHE 69 HZ PHE 69 12.564 -3.143 6.227 554 H VAL 70 HN VAL 70 8.356 -3.002 4.021 555 HA VAL 70 HA VAL 70 6.494 -0.734 3.822 556 HB VAL 70 HB VAL 70 7.797 -2.265 6.119 557 1HG1 VAL 70 1HG1 VAL 70 6.017 0.188 6.236 558 2HG1 VAL 70 2HG1 VAL 70 6.301 -0.923 7.604 559 3HG1 VAL 70 3HG1 VAL 70 7.638 -0.007 6.932 560 1HG2 VAL 70 1HG2 VAL 70 5.991 -3.491 5.084 561 2HG2 VAL 70 2HG2 VAL 70 5.414 -2.862 6.626 562 3HG2 VAL 70 3HG2 VAL 70 4.924 -2.062 5.118 563 H LYS 71 HN LYS 71 7.173 1.345 3.810 564 HA LYS 71 HA LYS 71 9.900 2.012 4.886 565 1HB LYS 71 2HB LYS 71 8.056 3.766 3.288 566 2HB LYS 71 3HB LYS 71 9.572 4.230 4.065 567 1HG LYS 71 2HG LYS 71 10.735 2.380 2.727 568 2HG LYS 71 3HG LYS 71 9.195 2.124 1.894 569 1HD LYS 71 2HD LYS 71 10.257 3.609 0.453 570 2HD LYS 71 3HD LYS 71 9.243 4.672 1.433 571 1HE LYS 71 2HE LYS 71 11.383 5.008 2.924 572 2HE LYS 71 3HE LYS 71 12.251 4.186 1.622 573 1HZ LYS 71 1HZ LYS 71 10.850 6.758 1.540 574 2HZ LYS 71 2HZ LYS 71 12.409 6.440 1.110 575 3HZ LYS 71 3HZ LYS 71 11.114 5.976 0.168 576 H LYS 72 HN LYS 72 6.460 3.161 5.069 577 HA LYS 72 HA LYS 72 6.789 3.543 7.997 578 1HB LYS 72 2HB LYS 72 7.059 5.629 5.992 579 2HB LYS 72 3HB LYS 72 5.624 5.974 6.937 580 1HG LYS 72 2HG LYS 72 8.303 5.318 8.217 581 2HG LYS 72 3HG LYS 72 7.796 6.955 7.767 582 1HD LYS 72 2HD LYS 72 5.781 6.788 9.167 583 2HD LYS 72 3HD LYS 72 6.212 5.137 9.646 584 1HE LYS 72 2HE LYS 72 8.271 5.944 10.734 585 2HE LYS 72 3HE LYS 72 7.954 7.595 10.177 586 1HZ LYS 72 1HZ LYS 72 6.253 6.077 12.048 587 2HZ LYS 72 2HZ LYS 72 7.277 7.298 12.445 588 3HZ LYS 72 3HZ LYS 72 5.950 7.603 11.519 589 H ILE 73 HN ILE 73 5.322 1.713 7.997 590 HA ILE 73 HA ILE 73 2.620 2.155 6.946 591 HB ILE 73 HB ILE 73 3.851 0.109 6.673 592 1HG1 ILE 73 2HG1 ILE 73 1.431 -0.855 8.074 593 2HG1 ILE 73 3HG1 ILE 73 1.157 0.427 6.913 594 1HG2 ILE 73 1HG2 ILE 73 3.183 -0.510 9.556 595 2HG2 ILE 73 2HG2 ILE 73 4.104 -1.491 8.408 596 3HG2 ILE 73 3HG2 ILE 73 4.760 0.059 9.010 597 1HD1 ILE 73 1HD1 ILE 73 2.592 -2.188 6.339 598 2HD1 ILE 73 2HD1 ILE 73 0.998 -1.687 5.730 599 3HD1 ILE 73 3HD1 ILE 73 2.444 -0.853 5.179 600 H GLU 74 HN GLU 74 2.930 4.201 8.536 601 HA GLU 74 HA GLU 74 0.799 3.921 10.381 602 1HB GLU 74 2HB GLU 74 3.570 3.700 11.486 603 2HB GLU 74 3HB GLU 74 2.733 5.114 12.124 604 1HG GLU 74 2HG GLU 74 1.695 2.262 12.256 605 2HG GLU 74 3HG GLU 74 2.405 3.189 13.583 606 H GLY 75 HN GLY 75 0.505 6.102 11.460 607 1HA GLY 75 1HA GLY 75 0.745 8.171 9.346 608 2HA GLY 75 2HA GLY 75 -0.238 8.210 10.817 609 H ARG 76 HN ARG 76 0.296 9.942 12.011 610 HA ARG 76 HA ARG 76 2.925 10.423 12.996 611 1HB ARG 76 2HB ARG 76 2.746 11.584 10.628 612 2HB ARG 76 3HB ARG 76 1.513 12.599 11.401 613 1HG ARG 76 2HG ARG 76 3.407 12.961 13.239 614 2HG ARG 76 3HG ARG 76 4.489 12.408 11.958 615 1HD ARG 76 2HD ARG 76 2.578 14.780 11.939 616 2HD ARG 76 3HD ARG 76 4.357 14.837 11.986 617 HE ARG 76 HE ARG 76 3.482 13.402 9.666 618 1HH1 ARG 76 1HH2 ARG 76 3.584 16.668 10.958 619 2HH1 ARG 76 2HH2 ARG 76 3.622 17.476 9.422 620 1HH2 ARG 76 1HH1 ARG 76 3.493 14.423 7.575 621 2HH2 ARG 76 2HH1 ARG 76 3.560 16.150 7.444 Start of MODEL 27 1 1H GLY 1 1H GLY 1 -7.188 6.955 13.353 2 2H GLY 1 2H GLY 1 -8.621 7.286 14.161 3 3H GLY 1 3H GLY 1 -8.522 6.055 13.030 4 1HA GLY 1 1HA GLY 1 -9.561 7.769 11.893 5 2HA GLY 1 2HA GLY 1 -8.309 8.913 12.452 6 H GLU 2 HN GLU 2 -8.982 7.917 9.605 7 HA GLU 2 HA GLU 2 -7.037 6.072 8.759 8 1HB GLU 2 2HB GLU 2 -7.626 6.842 6.514 9 2HB GLU 2 3HB GLU 2 -9.043 6.577 7.521 10 1HG GLU 2 2HG GLU 2 -9.098 9.113 7.956 11 2HG GLU 2 3HG GLU 2 -7.843 9.250 6.718 12 H VAL 3 HN VAL 3 -4.875 6.191 8.404 13 HA VAL 3 HA VAL 3 -3.527 8.784 8.496 14 HB VAL 3 HB VAL 3 -1.666 7.366 9.418 15 1HG1 VAL 3 1HG1 VAL 3 -4.067 8.071 11.169 16 2HG1 VAL 3 2HG1 VAL 3 -2.395 7.873 11.734 17 3HG1 VAL 3 3HG1 VAL 3 -2.817 9.205 10.645 18 1HG2 VAL 3 1HG2 VAL 3 -2.733 5.247 9.141 19 2HG2 VAL 3 2HG2 VAL 3 -2.310 5.536 10.848 20 3HG2 VAL 3 3HG2 VAL 3 -4.000 5.728 10.311 21 H VAL 4 HN VAL 4 -1.568 8.865 7.219 22 HA VAL 4 HA VAL 4 -1.787 7.443 4.713 23 HB VAL 4 HB VAL 4 0.035 9.577 5.893 24 1HG1 VAL 4 1HG1 VAL 4 0.118 8.316 3.145 25 2HG1 VAL 4 2HG1 VAL 4 0.894 9.865 3.564 26 3HG1 VAL 4 3HG1 VAL 4 1.427 8.375 4.359 27 1HG2 VAL 4 1HG2 VAL 4 -1.107 11.027 4.271 28 2HG2 VAL 4 2HG2 VAL 4 -2.020 9.646 3.632 29 3HG2 VAL 4 3HG2 VAL 4 -2.321 10.229 5.281 30 H LEU 5 HN LEU 5 -0.145 6.062 3.885 31 HA LEU 5 HA LEU 5 1.980 5.036 5.720 32 1HB LEU 5 2HB LEU 5 0.117 3.467 5.804 33 2HB LEU 5 3HB LEU 5 0.042 3.424 4.045 34 HG LEU 5 HG LEU 5 2.806 2.928 4.878 35 1HD1 LEU 5 1HD1 LEU 5 1.335 0.608 5.830 36 2HD1 LEU 5 2HD1 LEU 5 2.817 1.398 6.378 37 3HD1 LEU 5 3HD1 LEU 5 1.274 2.067 6.873 38 1HD2 LEU 5 1HD2 LEU 5 1.981 2.303 2.691 39 2HD2 LEU 5 2HD2 LEU 5 2.424 0.827 3.576 40 3HD2 LEU 5 3HD2 LEU 5 0.724 1.273 3.409 41 H LYS 6 HN LYS 6 3.871 4.830 4.543 42 HA LYS 6 HA LYS 6 3.736 5.129 1.585 43 1HB LYS 6 2HB LYS 6 4.795 7.021 2.916 44 2HB LYS 6 3HB LYS 6 6.155 5.926 3.199 45 1HG LYS 6 2HG LYS 6 6.841 6.024 0.989 46 2HG LYS 6 3HG LYS 6 5.205 6.005 0.350 47 1HD LYS 6 2HD LYS 6 5.856 8.045 -0.266 48 2HD LYS 6 3HD LYS 6 4.939 8.407 1.196 49 1HE LYS 6 2HE LYS 6 7.286 8.225 2.419 50 2HE LYS 6 3HE LYS 6 7.973 8.325 0.792 51 1HZ LYS 6 1HZ LYS 6 6.280 10.344 2.102 52 2HZ LYS 6 2HZ LYS 6 7.888 10.463 1.777 53 3HZ LYS 6 3HZ LYS 6 6.804 10.435 0.539 54 H MET 7 HN MET 7 4.655 3.437 0.434 55 HA MET 7 HA MET 7 6.354 1.461 1.851 56 1HB MET 7 2HB MET 7 4.991 -0.323 0.971 57 2HB MET 7 3HB MET 7 4.071 0.683 2.104 58 1HG MET 7 2HG MET 7 2.988 1.820 0.135 59 2HG MET 7 3HG MET 7 3.922 0.745 -0.922 60 1HE MET 7 1HE MET 7 0.967 0.833 -1.631 61 2HE MET 7 2HE MET 7 2.155 -0.295 -2.333 62 3HE MET 7 3HE MET 7 0.617 -0.908 -1.721 63 H LYS 8 HN LYS 8 7.747 0.361 0.545 64 HA LYS 8 HA LYS 8 8.120 1.272 -2.235 65 1HB LYS 8 2HB LYS 8 9.674 -0.359 -0.238 66 2HB LYS 8 3HB LYS 8 9.888 -0.742 -1.935 67 1HG LYS 8 2HG LYS 8 10.282 2.048 -0.750 68 2HG LYS 8 3HG LYS 8 11.554 0.866 -1.116 69 1HD LYS 8 2HD LYS 8 10.397 0.858 -3.518 70 2HD LYS 8 3HD LYS 8 9.835 2.462 -3.032 71 1HE LYS 8 2HE LYS 8 12.152 3.225 -2.731 72 2HE LYS 8 3HE LYS 8 12.747 1.575 -3.027 73 1HZ LYS 8 1HZ LYS 8 11.350 3.205 -5.066 74 2HZ LYS 8 2HZ LYS 8 12.960 2.834 -5.005 75 3HZ LYS 8 3HZ LYS 8 11.866 1.636 -5.193 76 H VAL 9 HN VAL 9 7.837 -0.043 -3.998 77 HA VAL 9 HA VAL 9 6.454 -2.644 -3.668 78 HB VAL 9 HB VAL 9 5.573 -0.653 -5.776 79 1HG1 VAL 9 1HG1 VAL 9 4.939 -3.071 -6.009 80 2HG1 VAL 9 2HG1 VAL 9 4.247 -3.035 -4.388 81 3HG1 VAL 9 3HG1 VAL 9 3.513 -2.074 -5.686 82 1HG2 VAL 9 1HG2 VAL 9 4.449 -0.820 -2.974 83 2HG2 VAL 9 2HG2 VAL 9 5.122 0.606 -3.791 84 3HG2 VAL 9 3HG2 VAL 9 3.610 -0.107 -4.360 85 H GLU 10 HN GLU 10 9.102 -2.514 -3.973 86 HA GLU 10 HA GLU 10 10.147 -2.292 -6.575 87 1HB GLU 10 2HB GLU 10 11.015 -4.113 -4.326 88 2HB GLU 10 3HB GLU 10 11.983 -3.666 -5.735 89 1HG GLU 10 2HG GLU 10 10.923 -1.624 -3.715 90 2HG GLU 10 3HG GLU 10 12.496 -2.402 -3.655 91 H GLY 11 HN GLY 11 10.304 -3.802 -8.280 92 1HA GLY 11 1HA GLY 11 10.497 -6.140 -8.906 93 2HA GLY 11 2HA GLY 11 9.116 -6.537 -7.890 94 H MET 12 HN MET 12 7.555 -4.116 -8.807 95 HA MET 12 HA MET 12 6.223 -5.332 -11.029 96 1HB MET 12 2HB MET 12 6.220 -2.463 -10.051 97 2HB MET 12 3HB MET 12 5.124 -3.095 -11.292 98 1HG MET 12 2HG MET 12 4.259 -4.777 -9.676 99 2HG MET 12 3HG MET 12 5.285 -4.085 -8.420 100 1HE MET 12 1HE MET 12 4.772 -0.814 -9.421 101 2HE MET 12 2HE MET 12 3.778 -0.522 -7.983 102 3HE MET 12 3HE MET 12 5.226 -1.541 -7.869 103 H THR 13 HN THR 13 6.262 -4.849 -13.264 104 HA THR 13 HA THR 13 8.866 -4.083 -14.313 105 HB THR 13 HB THR 13 7.607 -4.793 -16.455 106 HG1 THR 13 1HG THR 13 5.595 -5.768 -16.062 107 1HG2 THR 13 1HG2 THR 13 7.588 -6.776 -14.134 108 2HG2 THR 13 2HG2 THR 13 7.618 -7.162 -15.865 109 3HG2 THR 13 3HG2 THR 13 9.009 -6.361 -15.111 110 H CYS 14 HN CYS 14 8.071 -2.842 -16.729 111 HA CYS 14 HA CYS 14 7.743 -0.123 -15.986 112 1HB CYS 14 2HB CYS 14 7.717 0.342 -18.322 113 2HB CYS 14 3HB CYS 14 8.821 -1.025 -18.112 114 HG CYS 14 HG CYS 14 7.341 -1.248 -20.297 115 H HIS 15 HN HIS 15 5.936 1.108 -17.368 116 HA HIS 15 HA HIS 15 3.636 1.177 -15.905 117 1HB HIS 15 2HB HIS 15 2.797 2.667 -17.686 118 2HB HIS 15 3HB HIS 15 4.457 3.012 -17.203 119 HD1 HIS 15 1HD HIS 15 2.582 1.293 -20.080 120 HD2 HIS 15 2HD HIS 15 6.352 2.843 -19.095 121 HE1 HIS 15 1HE HIS 15 3.944 1.345 -22.263 122 H SER 16 HN SER 16 3.205 -1.188 -15.839 123 HA SER 16 HA SER 16 0.889 -1.948 -17.537 124 1HB SER 16 2HB SER 16 3.024 -2.578 -18.704 125 2HB SER 16 3HB SER 16 3.538 -3.434 -17.237 126 HG SER 16 HG SER 16 1.598 -4.715 -17.496 127 H CYS 17 HN CYS 17 1.180 -1.218 -14.689 128 HA CYS 17 HA CYS 17 -0.043 -3.449 -13.440 129 1HB CYS 17 2HB CYS 17 2.499 -4.095 -13.439 130 2HB CYS 17 3HB CYS 17 2.682 -2.817 -12.226 131 HG CYS 17 HG CYS 17 2.537 -5.153 -11.082 132 H THR 18 HN THR 18 1.044 -2.285 -10.740 133 HA THR 18 HA THR 18 0.330 -0.856 -9.230 134 HB THR 18 HB THR 18 0.665 1.377 -9.475 135 HG1 THR 18 1HG THR 18 -0.740 2.154 -10.769 136 1HG2 THR 18 1HG2 THR 18 2.183 0.469 -11.937 137 2HG2 THR 18 2HG2 THR 18 2.587 1.763 -10.792 138 3HG2 THR 18 3HG2 THR 18 2.672 0.069 -10.273 139 H SER 19 HN SER 19 -1.559 0.350 -12.005 140 HA SER 19 HA SER 19 -3.700 1.068 -10.430 141 1HB SER 19 2HB SER 19 -3.312 1.815 -12.774 142 2HB SER 19 3HB SER 19 -3.864 0.232 -13.365 143 HG SER 19 HG SER 19 -5.475 1.969 -13.317 144 H THR 20 HN THR 20 -3.396 -2.043 -11.996 145 HA THR 20 HA THR 20 -5.643 -3.349 -11.044 146 HB THR 20 HB THR 20 -2.695 -4.160 -11.237 147 HG1 THR 20 1HG THR 20 -3.515 -5.113 -13.169 148 1HG2 THR 20 1HG2 THR 20 -5.161 -5.831 -10.719 149 2HG2 THR 20 2HG2 THR 20 -3.605 -6.506 -11.296 150 3HG2 THR 20 3HG2 THR 20 -3.691 -5.698 -9.719 151 H ILE 21 HN ILE 21 -2.578 -2.830 -9.218 152 HA ILE 21 HA ILE 21 -3.504 -4.083 -6.804 153 HB ILE 21 HB ILE 21 -1.142 -2.301 -7.561 154 1HG1 ILE 21 2HG1 ILE 21 -0.077 -4.532 -6.555 155 2HG1 ILE 21 3HG1 ILE 21 -1.605 -5.243 -7.069 156 1HG2 ILE 21 1HG2 ILE 21 -1.702 -1.650 -5.302 157 2HG2 ILE 21 2HG2 ILE 21 -1.671 -3.368 -4.806 158 3HG2 ILE 21 3HG2 ILE 21 -0.199 -2.553 -5.413 159 1HD1 ILE 21 1HD1 ILE 21 0.382 -3.677 -8.775 160 2HD1 ILE 21 2HD1 ILE 21 0.149 -5.438 -8.777 161 3HD1 ILE 21 3HD1 ILE 21 -1.132 -4.379 -9.390 162 H GLU 22 HN GLU 22 -3.369 -0.689 -7.998 163 HA GLU 22 HA GLU 22 -4.109 0.515 -5.579 164 1HB GLU 22 2HB GLU 22 -4.547 1.422 -8.452 165 2HB GLU 22 3HB GLU 22 -4.731 2.470 -7.053 166 1HG GLU 22 2HG GLU 22 -2.422 2.200 -6.421 167 2HG GLU 22 3HG GLU 22 -2.130 0.963 -7.627 168 H GLY 23 HN GLY 23 -6.124 -0.059 -8.377 169 1HA GLY 23 1HA GLY 23 -8.719 0.306 -7.421 170 2HA GLY 23 2HA GLY 23 -8.276 -0.865 -8.674 171 H LYS 24 HN LYS 24 -6.918 -2.858 -7.456 172 HA LYS 24 HA LYS 24 -9.027 -4.281 -6.188 173 1HB LYS 24 2HB LYS 24 -7.341 -5.403 -7.473 174 2HB LYS 24 3HB LYS 24 -6.052 -4.908 -6.362 175 1HG LYS 24 2HG LYS 24 -6.683 -6.401 -4.707 176 2HG LYS 24 3HG LYS 24 -8.384 -6.433 -5.210 177 1HD LYS 24 2HD LYS 24 -7.896 -7.759 -7.154 178 2HD LYS 24 3HD LYS 24 -6.144 -7.655 -6.874 179 1HE LYS 24 2HE LYS 24 -6.309 -8.971 -4.835 180 2HE LYS 24 3HE LYS 24 -8.077 -8.892 -4.845 181 1HZ LYS 24 1HZ LYS 24 -6.457 -10.278 -6.881 182 2HZ LYS 24 2HZ LYS 24 -7.232 -10.999 -5.625 183 3HZ LYS 24 3HZ LYS 24 -8.102 -10.247 -6.794 184 H ILE 25 HN ILE 25 -6.036 -2.847 -4.750 185 HA ILE 25 HA ILE 25 -6.604 -3.607 -2.100 186 HB ILE 25 HB ILE 25 -4.944 -1.448 -3.414 187 1HG1 ILE 25 2HG1 ILE 25 -4.222 -3.795 -3.803 188 2HG1 ILE 25 3HG1 ILE 25 -3.043 -2.727 -3.032 189 1HG2 ILE 25 1HG2 ILE 25 -3.752 -1.289 -1.189 190 2HG2 ILE 25 2HG2 ILE 25 -5.243 -0.374 -1.495 191 3HG2 ILE 25 3HG2 ILE 25 -5.301 -1.859 -0.520 192 1HD1 ILE 25 1HD1 ILE 25 -4.830 -4.731 -1.637 193 2HD1 ILE 25 2HD1 ILE 25 -3.114 -4.959 -2.021 194 3HD1 ILE 25 3HD1 ILE 25 -3.601 -3.686 -0.872 195 H GLY 26 HN GLY 26 -7.678 -0.824 -4.035 196 1HA GLY 26 1HA GLY 26 -8.994 0.683 -2.093 197 2HA GLY 26 2HA GLY 26 -9.526 0.463 -3.764 198 H LYS 27 HN LYS 27 -9.806 -2.662 -2.925 199 HA LYS 27 HA LYS 27 -12.619 -2.372 -2.032 200 1HB LYS 27 2HB LYS 27 -11.049 -4.345 -3.566 201 2HB LYS 27 3HB LYS 27 -12.113 -5.058 -2.385 202 1HG LYS 27 2HG LYS 27 -13.186 -2.876 -4.208 203 2HG LYS 27 3HG LYS 27 -12.819 -4.463 -4.872 204 1HD LYS 27 2HD LYS 27 -14.198 -5.504 -3.002 205 2HD LYS 27 3HD LYS 27 -14.758 -3.869 -2.601 206 1HE LYS 27 2HE LYS 27 -15.744 -3.642 -4.861 207 2HE LYS 27 3HE LYS 27 -15.018 -5.176 -5.367 208 1HZ LYS 27 1HZ LYS 27 -17.095 -4.897 -3.305 209 2HZ LYS 27 2HZ LYS 27 -17.305 -5.467 -4.833 210 3HZ LYS 27 3HZ LYS 27 -16.385 -6.309 -3.765 211 H LEU 28 HN LEU 28 -9.392 -3.032 -0.676 212 HA LEU 28 HA LEU 28 -10.229 -4.994 1.086 213 1HB LEU 28 2HB LEU 28 -7.864 -3.113 1.123 214 2HB LEU 28 3HB LEU 28 -8.091 -4.457 2.232 215 HG LEU 28 HG LEU 28 -6.733 -4.553 -0.180 216 1HD1 LEU 28 1HD1 LEU 28 -6.437 -6.884 0.433 217 2HD1 LEU 28 2HD1 LEU 28 -6.335 -5.838 1.866 218 3HD1 LEU 28 3HD1 LEU 28 -7.824 -6.762 1.549 219 1HD2 LEU 28 1HD2 LEU 28 -9.222 -6.268 -0.368 220 2HD2 LEU 28 2HD2 LEU 28 -8.809 -4.924 -1.464 221 3HD2 LEU 28 3HD2 LEU 28 -7.799 -6.367 -1.425 222 H GLN 29 HN GLN 29 -10.721 -4.995 3.222 223 HA GLN 29 HA GLN 29 -12.071 -2.829 4.413 224 1HB GLN 29 2HB GLN 29 -12.258 -4.225 6.356 225 2HB GLN 29 3HB GLN 29 -12.514 -5.147 4.870 226 1HG GLN 29 2HG GLN 29 -9.904 -5.621 5.113 227 2HG GLN 29 3HG GLN 29 -10.202 -5.210 6.806 228 1HE2 GLN 29 2HE2 GLN 29 -9.248 -7.743 6.159 229 2HE2 GLN 29 1HE2 GLN 29 -10.533 -8.922 6.346 230 H GLY 30 HN GLY 30 -11.199 -0.952 5.088 231 1HA GLY 30 1HA GLY 30 -10.096 0.041 7.015 232 2HA GLY 30 2HA GLY 30 -8.700 -1.024 6.763 233 H VAL 31 HN VAL 31 -9.128 -0.512 3.683 234 HA VAL 31 HA VAL 31 -7.307 1.772 3.635 235 HB VAL 31 HB VAL 31 -8.334 -0.365 1.760 236 1HG1 VAL 31 1HG1 VAL 31 -8.609 1.570 0.360 237 2HG1 VAL 31 2HG1 VAL 31 -6.994 2.195 0.809 238 3HG1 VAL 31 3HG1 VAL 31 -7.156 0.701 -0.142 239 1HG2 VAL 31 1HG2 VAL 31 -5.567 0.750 2.404 240 2HG2 VAL 31 2HG2 VAL 31 -6.283 -0.702 3.132 241 3HG2 VAL 31 3HG2 VAL 31 -5.918 -0.659 1.391 242 H GLN 32 HN GLN 32 -7.733 3.703 2.850 243 HA GLN 32 HA GLN 32 -10.524 4.420 2.099 244 1HB GLN 32 2HB GLN 32 -8.541 5.613 3.822 245 2HB GLN 32 3HB GLN 32 -9.242 6.791 2.694 246 1HG GLN 32 2HG GLN 32 -10.986 4.857 4.277 247 2HG GLN 32 3HG GLN 32 -10.330 6.290 5.030 248 1HE2 GLN 32 2HE2 GLN 32 -11.984 7.759 5.176 249 2HE2 GLN 32 1HE2 GLN 32 -13.156 8.085 3.892 250 H ARG 33 HN ARG 33 -6.995 5.013 1.282 251 HA ARG 33 HA ARG 33 -7.828 4.910 -1.512 252 1HB ARG 33 2HB ARG 33 -7.981 7.367 -0.353 253 2HB ARG 33 3HB ARG 33 -6.281 7.407 -0.803 254 1HG ARG 33 2HG ARG 33 -6.795 7.302 -3.122 255 2HG ARG 33 3HG ARG 33 -8.404 6.602 -2.830 256 1HD ARG 33 2HD ARG 33 -9.187 8.642 -1.780 257 2HD ARG 33 3HD ARG 33 -7.616 9.437 -2.053 258 HE ARG 33 HE ARG 33 -8.589 8.471 -4.543 259 1HH1 ARG 33 1HH2 ARG 33 -9.629 10.758 -2.070 260 2HH1 ARG 33 2HH2 ARG 33 -10.485 11.808 -3.152 261 1HH2 ARG 33 1HH1 ARG 33 -9.707 9.861 -6.040 262 2HH2 ARG 33 2HH1 ARG 33 -10.518 11.281 -5.469 263 H ILE 34 HN ILE 34 -5.954 5.010 -3.000 264 HA ILE 34 HA ILE 34 -3.351 4.459 -1.819 265 HB ILE 34 HB ILE 34 -4.293 2.266 -1.785 266 1HG1 ILE 34 2HG1 ILE 34 -2.593 2.419 -4.282 267 2HG1 ILE 34 3HG1 ILE 34 -1.926 2.715 -2.680 268 1HG2 ILE 34 1HG2 ILE 34 -5.230 1.112 -3.677 269 2HG2 ILE 34 2HG2 ILE 34 -6.169 2.572 -3.432 270 3HG2 ILE 34 3HG2 ILE 34 -5.004 2.487 -4.764 271 1HD1 ILE 34 1HD1 ILE 34 -3.171 0.099 -3.628 272 2HD1 ILE 34 2HD1 ILE 34 -1.464 0.427 -3.316 273 3HD1 ILE 34 3HD1 ILE 34 -2.619 0.427 -1.981 274 H LYS 35 HN LYS 35 -1.729 5.176 -3.045 275 HA LYS 35 HA LYS 35 -2.143 5.801 -5.928 276 1HB LYS 35 2HB LYS 35 -0.505 7.344 -3.849 277 2HB LYS 35 3HB LYS 35 -0.705 7.778 -5.544 278 1HG LYS 35 2HG LYS 35 -2.874 7.788 -3.380 279 2HG LYS 35 3HG LYS 35 -1.984 9.178 -4.012 280 1HD LYS 35 2HD LYS 35 -2.954 7.915 -6.318 281 2HD LYS 35 3HD LYS 35 -4.290 7.708 -5.205 282 1HE LYS 35 2HE LYS 35 -2.915 10.364 -5.896 283 2HE LYS 35 3HE LYS 35 -4.455 9.813 -6.563 284 1HZ LYS 35 1HZ LYS 35 -3.953 10.335 -3.706 285 2HZ LYS 35 2HZ LYS 35 -4.741 11.345 -4.735 286 3HZ LYS 35 3HZ LYS 35 -5.386 9.874 -4.369 287 H VAL 36 HN VAL 36 -0.748 4.356 -7.003 288 HA VAL 36 HA VAL 36 1.825 3.606 -5.617 289 HB VAL 36 HB VAL 36 0.073 2.025 -7.486 290 1HG1 VAL 36 1HG1 VAL 36 1.684 0.177 -7.153 291 2HG1 VAL 36 2HG1 VAL 36 2.442 1.539 -7.998 292 3HG1 VAL 36 3HG1 VAL 36 2.771 1.279 -6.283 293 1HG2 VAL 36 1HG2 VAL 36 0.915 1.103 -4.743 294 2HG2 VAL 36 2HG2 VAL 36 -0.463 2.194 -4.919 295 3HG2 VAL 36 3HG2 VAL 36 -0.465 0.614 -5.726 296 H SER 37 HN SER 37 3.581 4.565 -6.503 297 HA SER 37 HA SER 37 3.369 5.661 -9.250 298 1HB SER 37 2HB SER 37 4.168 7.125 -7.462 299 2HB SER 37 3HB SER 37 5.472 5.980 -7.110 300 HG SER 37 HG SER 37 5.093 7.354 -9.576 301 H LEU 38 HN LEU 38 3.744 4.047 -10.771 302 HA LEU 38 HA LEU 38 5.644 1.970 -10.696 303 1HB LEU 38 2HB LEU 38 4.255 1.802 -12.465 304 2HB LEU 38 3HB LEU 38 4.102 3.536 -12.708 305 HG LEU 38 HG LEU 38 4.931 2.381 -14.519 306 1HD1 LEU 38 1HD1 LEU 38 7.277 4.103 -13.808 307 2HD1 LEU 38 2HD1 LEU 38 6.476 3.847 -15.352 308 3HD1 LEU 38 3HD1 LEU 38 5.642 4.765 -14.093 309 1HD2 LEU 38 1HD2 LEU 38 7.212 1.438 -12.772 310 2HD2 LEU 38 2HD2 LEU 38 6.148 0.537 -13.856 311 3HD2 LEU 38 3HD2 LEU 38 7.417 1.590 -14.521 312 H ASP 39 HN ASP 39 6.039 5.462 -11.713 313 HA ASP 39 HA ASP 39 8.703 5.373 -12.363 314 1HB ASP 39 2HB ASP 39 7.312 7.624 -10.847 315 2HB ASP 39 3HB ASP 39 8.751 7.751 -11.845 316 H ASN 40 HN ASN 40 7.389 6.314 -9.155 317 HA ASN 40 HA ASN 40 10.023 6.583 -8.183 318 1HB ASN 40 2HB ASN 40 7.744 7.702 -7.440 319 2HB ASN 40 3HB ASN 40 7.725 6.404 -6.244 320 1HD2 ASN 40 2HD2 ASN 40 7.920 9.287 -5.775 321 2HD2 ASN 40 1HD2 ASN 40 9.476 9.559 -5.008 322 H GLN 41 HN GLN 41 7.829 3.963 -8.374 323 HA GLN 41 HA GLN 41 7.727 1.831 -7.747 324 1HB GLN 41 2HB GLN 41 10.598 1.974 -6.779 325 2HB GLN 41 3HB GLN 41 9.684 0.549 -7.299 326 1HG GLN 41 2HG GLN 41 9.445 1.640 -9.534 327 2HG GLN 41 3HG GLN 41 10.489 2.941 -8.959 328 1HE2 GLN 41 2HE2 GLN 41 12.647 2.734 -9.492 329 2HE2 GLN 41 1HE2 GLN 41 13.459 1.191 -9.726 330 H GLU 42 HN GLU 42 7.314 4.116 -6.076 331 HA GLU 42 HA GLU 42 7.033 2.802 -3.433 332 1HB GLU 42 2HB GLU 42 8.730 4.905 -3.651 333 2HB GLU 42 3HB GLU 42 7.224 5.809 -3.475 334 1HG GLU 42 2HG GLU 42 6.729 4.585 -1.372 335 2HG GLU 42 3HG GLU 42 8.195 3.612 -1.579 336 H ALA 43 HN ALA 43 5.133 3.442 -2.263 337 HA ALA 43 HA ALA 43 2.946 4.628 -3.881 338 1HB ALA 43 1HB ALA 43 2.898 1.952 -2.452 339 2HB ALA 43 2HB ALA 43 1.505 2.727 -3.233 340 3HB ALA 43 3HB ALA 43 2.901 2.171 -4.204 341 H THR 44 HN THR 44 1.160 5.335 -2.552 342 HA THR 44 HA THR 44 1.788 5.766 0.283 343 HB THR 44 HB THR 44 0.635 7.645 -1.815 344 HG1 THR 44 1HG THR 44 2.552 8.744 -1.502 345 1HG2 THR 44 1HG2 THR 44 1.222 8.019 1.135 346 2HG2 THR 44 2HG2 THR 44 0.685 9.304 0.019 347 3HG2 THR 44 3HG2 THR 44 -0.396 7.943 0.390 348 H ILE 45 HN ILE 45 0.216 4.490 1.313 349 HA ILE 45 HA ILE 45 -2.498 4.328 0.119 350 HB ILE 45 HB ILE 45 -1.236 2.658 2.289 351 1HG1 ILE 45 2HG1 ILE 45 -2.083 1.993 -0.534 352 2HG1 ILE 45 3HG1 ILE 45 -0.399 2.335 -0.110 353 1HG2 ILE 45 1HG2 ILE 45 -3.959 2.399 0.904 354 2HG2 ILE 45 2HG2 ILE 45 -3.297 1.264 2.084 355 3HG2 ILE 45 3HG2 ILE 45 -3.729 2.856 2.601 356 1HD1 ILE 45 1HD1 ILE 45 -2.026 0.042 1.009 357 2HD1 ILE 45 2HD1 ILE 45 -0.744 -0.040 -0.167 358 3HD1 ILE 45 3HD1 ILE 45 -0.374 0.530 1.485 359 H VAL 46 HN VAL 46 -4.300 4.739 1.673 360 HA VAL 46 HA VAL 46 -3.537 6.047 4.186 361 HB VAL 46 HB VAL 46 -4.163 7.779 2.658 362 1HG1 VAL 46 1HG1 VAL 46 -5.688 6.625 1.362 363 2HG1 VAL 46 2HG1 VAL 46 -6.836 6.528 2.730 364 3HG1 VAL 46 3HG1 VAL 46 -6.439 8.108 2.004 365 1HG2 VAL 46 1HG2 VAL 46 -6.043 7.365 5.021 366 2HG2 VAL 46 2HG2 VAL 46 -4.441 8.131 5.090 367 3HG2 VAL 46 3HG2 VAL 46 -5.757 8.915 4.207 368 H TYR 47 HN TYR 47 -4.273 4.872 5.884 369 HA TYR 47 HA TYR 47 -6.777 3.451 5.848 370 1HB TYR 47 2HB TYR 47 -5.960 1.207 6.059 371 2HB TYR 47 3HB TYR 47 -5.239 1.856 4.597 372 HD1 TYR 47 1HD TYR 47 -2.862 1.691 4.311 373 HD2 TYR 47 2HD TYR 47 -4.604 0.956 8.165 374 HE1 TYR 47 1HE TYR 47 -0.784 0.637 5.089 375 HE2 TYR 47 2HE TYR 47 -2.407 0.385 9.067 376 HH TYR 47 HH TYR 47 -0.020 -0.871 7.188 377 H GLN 48 HN GLN 48 -6.881 2.166 8.227 378 HA GLN 48 HA GLN 48 -4.909 3.360 10.037 379 1HB GLN 48 2HB GLN 48 -6.991 3.300 11.643 380 2HB GLN 48 3HB GLN 48 -6.560 4.719 10.656 381 1HG GLN 48 2HG GLN 48 -8.193 4.088 9.005 382 2HG GLN 48 3HG GLN 48 -8.542 2.589 9.896 383 1HE2 GLN 48 2HE2 GLN 48 -10.708 4.186 9.306 384 2HE2 GLN 48 1HE2 GLN 48 -11.251 5.051 10.726 385 HA PRO 49 HA PRO 49 -4.462 -0.706 11.719 386 1HB PRO 49 2HB PRO 49 -3.500 -0.170 14.217 387 2HB PRO 49 3HB PRO 49 -2.566 0.183 12.753 388 1HG PRO 49 2HG PRO 49 -4.295 2.116 14.306 389 2HG PRO 49 3HG PRO 49 -2.595 2.335 13.795 390 1HD PRO 49 2HD PRO 49 -4.638 3.348 12.344 391 2HD PRO 49 3HD PRO 49 -3.224 2.621 11.526 392 H HIS 50 HN HIS 50 -6.897 -0.661 11.489 393 HA HIS 50 HA HIS 50 -8.094 -1.384 14.114 394 1HB HIS 50 2HB HIS 50 -8.884 0.874 13.829 395 2HB HIS 50 3HB HIS 50 -9.251 0.605 12.122 396 HD1 HIS 50 1HD HIS 50 -10.411 -2.029 14.642 397 HD2 HIS 50 2HD HIS 50 -11.840 1.199 12.348 398 HE1 HIS 50 1HE HIS 50 -12.957 -2.165 14.693 399 H LEU 51 HN LEU 51 -8.866 -1.085 10.610 400 HA LEU 51 HA LEU 51 -10.188 -3.723 10.666 401 1HB LEU 51 2HB LEU 51 -9.901 -1.486 8.677 402 2HB LEU 51 3HB LEU 51 -10.583 -3.045 8.196 403 HG LEU 51 HG LEU 51 -11.694 -1.476 10.551 404 1HD1 LEU 51 1HD1 LEU 51 -12.488 -1.266 7.620 405 2HD1 LEU 51 2HD1 LEU 51 -13.424 -0.611 8.981 406 3HD1 LEU 51 3HD1 LEU 51 -11.805 0.020 8.645 407 1HD2 LEU 51 1HD2 LEU 51 -12.901 -3.589 8.700 408 2HD2 LEU 51 2HD2 LEU 51 -12.388 -3.861 10.376 409 3HD2 LEU 51 3HD2 LEU 51 -13.742 -2.778 10.035 410 H ILE 52 HN ILE 52 -7.011 -2.348 9.821 411 HA ILE 52 HA ILE 52 -6.313 -4.929 8.587 412 HB ILE 52 HB ILE 52 -6.464 -3.012 7.033 413 1HG1 ILE 52 2HG1 ILE 52 -4.205 -3.392 6.080 414 2HG1 ILE 52 3HG1 ILE 52 -3.708 -4.299 7.484 415 1HG2 ILE 52 1HG2 ILE 52 -4.096 -1.978 8.594 416 2HG2 ILE 52 2HG2 ILE 52 -4.763 -1.333 7.073 417 3HG2 ILE 52 3HG2 ILE 52 -5.736 -1.287 8.560 418 1HD1 ILE 52 1HD1 ILE 52 -6.251 -4.983 5.960 419 2HD1 ILE 52 2HD1 ILE 52 -4.671 -5.554 5.380 420 3HD1 ILE 52 3HD1 ILE 52 -5.267 -6.055 6.984 421 H SER 53 HN SER 53 -4.363 -5.824 9.188 422 HA SER 53 HA SER 53 -3.530 -5.169 11.868 423 1HB SER 53 2HB SER 53 -2.548 -7.219 9.978 424 2HB SER 53 3HB SER 53 -2.234 -7.202 11.724 425 HG SER 53 HG SER 53 -4.342 -8.249 10.474 426 H VAL 54 HN VAL 54 -2.850 -3.303 9.767 427 HA VAL 54 HA VAL 54 -1.354 -1.757 9.267 428 HB VAL 54 HB VAL 54 -0.753 -2.452 11.894 429 1HG1 VAL 54 1HG1 VAL 54 1.349 -3.524 11.339 430 2HG1 VAL 54 2HG1 VAL 54 1.802 -2.150 10.300 431 3HG1 VAL 54 3HG1 VAL 54 1.665 -1.945 12.062 432 1HG2 VAL 54 1HG2 VAL 54 0.177 -0.100 10.236 433 2HG2 VAL 54 2HG2 VAL 54 -1.402 -0.282 10.998 434 3HG2 VAL 54 3HG2 VAL 54 0.051 -0.159 12.007 435 H GLU 55 HN GLU 55 0.449 -4.696 9.853 436 HA GLU 55 HA GLU 55 2.256 -4.305 7.636 437 1HB GLU 55 2HB GLU 55 2.199 -5.908 9.942 438 2HB GLU 55 3HB GLU 55 1.882 -7.043 8.629 439 1HG GLU 55 2HG GLU 55 4.199 -7.031 8.855 440 2HG GLU 55 3HG GLU 55 3.954 -5.946 7.471 441 H GLU 56 HN GLU 56 -0.742 -6.167 8.243 442 HA GLU 56 HA GLU 56 -0.738 -7.920 6.141 443 1HB GLU 56 2HB GLU 56 -2.900 -6.486 7.648 444 2HB GLU 56 3HB GLU 56 -3.333 -7.177 6.082 445 1HG GLU 56 2HG GLU 56 -2.519 -9.358 6.697 446 2HG GLU 56 3HG GLU 56 -2.122 -8.778 8.328 447 H MET 57 HN MET 57 -1.996 -4.519 5.944 448 HA MET 57 HA MET 57 -2.820 -4.480 3.413 449 1HB MET 57 2HB MET 57 -2.126 -2.597 5.445 450 2HB MET 57 3HB MET 57 -1.261 -2.062 4.002 451 1HG MET 57 2HG MET 57 -4.254 -2.653 4.171 452 2HG MET 57 3HG MET 57 -3.457 -1.114 4.187 453 1HE MET 57 1HE MET 57 -4.645 -4.263 2.364 454 2HE MET 57 2HE MET 57 -5.787 -2.915 2.297 455 3HE MET 57 3HE MET 57 -5.057 -3.554 0.814 456 H LYS 58 HN LYS 58 0.594 -4.074 4.415 457 HA LYS 58 HA LYS 58 1.472 -3.731 1.679 458 1HB LYS 58 2HB LYS 58 2.760 -2.815 3.603 459 2HB LYS 58 3HB LYS 58 2.953 -4.440 4.259 460 1HG LYS 58 2HG LYS 58 5.006 -3.984 3.292 461 2HG LYS 58 3HG LYS 58 4.279 -5.079 2.159 462 1HD LYS 58 2HD LYS 58 4.026 -2.069 1.832 463 2HD LYS 58 3HD LYS 58 5.488 -2.938 1.341 464 1HE LYS 58 2HE LYS 58 4.159 -4.394 -0.165 465 2HE LYS 58 3HE LYS 58 2.763 -3.360 0.139 466 1HZ LYS 58 1HZ LYS 58 5.248 -2.226 -0.926 467 2HZ LYS 58 2HZ LYS 58 3.983 -2.753 -1.836 468 3HZ LYS 58 3HZ LYS 58 3.767 -1.549 -0.745 469 H LYS 59 HN LYS 59 1.355 -6.411 4.036 470 HA LYS 59 HA LYS 59 2.830 -8.204 2.390 471 1HB LYS 59 2HB LYS 59 0.798 -8.858 4.562 472 2HB LYS 59 3HB LYS 59 1.994 -9.959 3.874 473 1HG LYS 59 2HG LYS 59 2.516 -7.547 5.658 474 2HG LYS 59 3HG LYS 59 2.931 -9.237 5.916 475 1HD LYS 59 2HD LYS 59 4.384 -9.014 3.800 476 2HD LYS 59 3HD LYS 59 4.183 -7.249 3.945 477 1HE LYS 59 2HE LYS 59 5.287 -7.287 6.134 478 2HE LYS 59 3HE LYS 59 5.395 -9.060 6.081 479 1HZ LYS 59 1HZ LYS 59 6.627 -7.210 4.135 480 2HZ LYS 59 2HZ LYS 59 7.471 -8.080 5.288 481 3HZ LYS 59 3HZ LYS 59 6.674 -8.768 3.985 482 H GLN 60 HN GLN 60 -0.559 -7.292 2.216 483 HA GLN 60 HA GLN 60 -1.458 -9.420 0.541 484 1HB GLN 60 2HB GLN 60 -2.263 -6.504 0.579 485 2HB GLN 60 3HB GLN 60 -3.180 -7.819 -0.118 486 1HG GLN 60 2HG GLN 60 -2.466 -8.354 2.688 487 2HG GLN 60 3HG GLN 60 -3.277 -6.792 2.515 488 1HE2 GLN 60 2HE2 GLN 60 -4.662 -8.337 4.116 489 2HE2 GLN 60 1HE2 GLN 60 -5.959 -9.155 3.289 490 H ILE 61 HN ILE 61 0.055 -6.300 -0.042 491 HA ILE 61 HA ILE 61 0.234 -6.563 -2.927 492 HB ILE 61 HB ILE 61 1.611 -4.757 -1.008 493 1HG1 ILE 61 2HG1 ILE 61 0.415 -3.153 -2.846 494 2HG1 ILE 61 3HG1 ILE 61 -0.644 -4.545 -3.005 495 1HG2 ILE 61 1HG2 ILE 61 3.295 -5.165 -2.769 496 2HG2 ILE 61 2HG2 ILE 61 2.053 -4.955 -4.022 497 3HG2 ILE 61 3HG2 ILE 61 2.549 -3.586 -3.013 498 1HD1 ILE 61 1HD1 ILE 61 0.062 -3.188 -0.367 499 2HD1 ILE 61 2HD1 ILE 61 -1.368 -2.802 -1.335 500 3HD1 ILE 61 3HD1 ILE 61 -1.189 -4.431 -0.652 501 H GLU 62 HN GLU 62 2.569 -7.371 -0.297 502 HA GLU 62 HA GLU 62 4.743 -8.113 -1.963 503 1HB GLU 62 2HB GLU 62 3.902 -9.271 0.718 504 2HB GLU 62 3HB GLU 62 5.412 -9.630 -0.118 505 1HG GLU 62 2HG GLU 62 6.046 -7.288 -0.153 506 2HG GLU 62 3HG GLU 62 4.535 -6.809 0.634 507 H ALA 63 HN ALA 63 2.044 -9.987 -0.647 508 HA ALA 63 HA ALA 63 2.467 -12.456 -1.851 509 1HB ALA 63 1HB ALA 63 1.028 -12.078 0.079 510 2HB ALA 63 2HB ALA 63 -0.095 -11.131 -0.914 511 3HB ALA 63 3HB ALA 63 0.101 -12.871 -1.215 512 H MET 64 HN MET 64 1.217 -9.559 -3.472 513 HA MET 64 HA MET 64 -0.236 -10.887 -5.567 514 1HB MET 64 2HB MET 64 1.489 -8.380 -5.699 515 2HB MET 64 3HB MET 64 0.357 -8.915 -6.932 516 1HG MET 64 2HG MET 64 -0.500 -8.286 -4.108 517 2HG MET 64 3HG MET 64 -0.468 -7.090 -5.402 518 1HE MET 64 1HE MET 64 -2.899 -6.458 -4.765 519 2HE MET 64 2HE MET 64 -4.246 -7.616 -4.693 520 3HE MET 64 3HE MET 64 -2.925 -7.717 -3.504 521 H GLY 65 HN GLY 65 3.163 -10.471 -4.802 522 1HA GLY 65 1HA GLY 65 4.556 -12.385 -5.468 523 2HA GLY 65 2HA GLY 65 3.943 -12.232 -7.120 524 H PHE 66 HN PHE 66 5.064 -9.738 -4.767 525 HA PHE 66 HA PHE 66 7.345 -9.075 -6.520 526 1HB PHE 66 2HB PHE 66 5.044 -7.209 -5.855 527 2HB PHE 66 3HB PHE 66 6.607 -6.613 -6.366 528 HD1 PHE 66 1HD PHE 66 7.522 -8.146 -8.582 529 HD2 PHE 66 2HD PHE 66 3.426 -7.200 -7.598 530 HE1 PHE 66 1HE PHE 66 6.909 -8.371 -10.945 531 HE2 PHE 66 2HE PHE 66 2.804 -7.505 -9.977 532 HZ PHE 66 HZ PHE 66 4.548 -8.056 -11.666 533 HA PRO 67 HA PRO 67 8.647 -8.903 -2.231 534 1HB PRO 67 2HB PRO 67 11.309 -8.390 -2.518 535 2HB PRO 67 3HB PRO 67 10.557 -9.956 -2.933 536 1HG PRO 67 2HG PRO 67 11.209 -7.664 -4.815 537 2HG PRO 67 3HG PRO 67 11.630 -9.389 -5.021 538 1HD PRO 67 2HD PRO 67 9.442 -8.267 -6.194 539 2HD PRO 67 3HD PRO 67 9.388 -9.946 -5.572 540 H ALA 68 HN ALA 68 7.498 -7.112 -1.488 541 HA ALA 68 HA ALA 68 8.460 -4.390 -2.195 542 1HB ALA 68 1HB ALA 68 5.765 -5.460 -1.265 543 2HB ALA 68 2HB ALA 68 6.151 -3.801 -1.737 544 3HB ALA 68 3HB ALA 68 6.210 -5.091 -2.936 545 H PHE 69 HN PHE 69 7.362 -2.964 -0.063 546 HA PHE 69 HA PHE 69 8.040 -4.149 2.396 547 1HB PHE 69 2HB PHE 69 10.276 -3.000 0.862 548 2HB PHE 69 3HB PHE 69 10.063 -2.092 2.341 549 HD1 PHE 69 1HD PHE 69 9.593 -3.670 4.530 550 HD2 PHE 69 2HD PHE 69 11.887 -4.710 1.023 551 HE1 PHE 69 1HE PHE 69 10.879 -5.320 5.854 552 HE2 PHE 69 2HE PHE 69 13.237 -6.279 2.378 553 HZ PHE 69 HZ PHE 69 12.722 -6.609 4.789 554 H VAL 70 HN VAL 70 7.267 -3.035 4.089 555 HA VAL 70 HA VAL 70 5.938 -0.486 3.565 556 HB VAL 70 HB VAL 70 4.707 -2.218 4.645 557 1HG1 VAL 70 1HG1 VAL 70 6.597 -3.140 5.942 558 2HG1 VAL 70 2HG1 VAL 70 6.554 -1.683 6.962 559 3HG1 VAL 70 3HG1 VAL 70 5.160 -2.797 6.938 560 1HG2 VAL 70 1HG2 VAL 70 4.159 0.183 4.924 561 2HG2 VAL 70 2HG2 VAL 70 3.681 -0.830 6.303 562 3HG2 VAL 70 3HG2 VAL 70 5.111 0.212 6.421 563 H LYS 71 HN LYS 71 6.555 1.433 4.369 564 HA LYS 71 HA LYS 71 9.051 1.600 6.016 565 1HB LYS 71 2HB LYS 71 7.631 3.879 4.632 566 2HB LYS 71 3HB LYS 71 9.160 3.909 5.515 567 1HG LYS 71 2HG LYS 71 9.774 1.914 3.773 568 2HG LYS 71 3HG LYS 71 8.452 2.644 2.872 569 1HD LYS 71 2HD LYS 71 10.182 3.804 1.966 570 2HD LYS 71 3HD LYS 71 9.764 4.909 3.265 571 1HE LYS 71 2HE LYS 71 11.997 2.790 3.273 572 2HE LYS 71 3HE LYS 71 12.230 4.526 3.035 573 1HZ LYS 71 1HZ LYS 71 11.207 3.267 5.491 574 2HZ LYS 71 2HZ LYS 71 12.727 3.857 5.273 575 3HZ LYS 71 3HZ LYS 71 11.442 4.884 5.269 576 H LYS 72 HN LYS 72 7.170 4.346 6.632 577 HA LYS 72 HA LYS 72 6.709 3.359 9.366 578 1HB LYS 72 2HB LYS 72 6.624 6.076 8.028 579 2HB LYS 72 3HB LYS 72 5.710 5.809 9.491 580 1HG LYS 72 2HG LYS 72 8.024 4.793 10.410 581 2HG LYS 72 3HG LYS 72 8.686 5.784 9.110 582 1HD LYS 72 2HD LYS 72 8.720 7.121 11.086 583 2HD LYS 72 3HD LYS 72 7.380 7.753 10.108 584 1HE LYS 72 2HE LYS 72 5.756 6.448 11.536 585 2HE LYS 72 3HE LYS 72 7.104 5.774 12.452 586 1HZ LYS 72 1HZ LYS 72 6.390 8.630 12.329 587 2HZ LYS 72 2HZ LYS 72 5.921 7.587 13.471 588 3HZ LYS 72 3HZ LYS 72 7.523 7.943 13.329 589 H ILE 73 HN ILE 73 4.721 3.825 10.476 590 HA ILE 73 HA ILE 73 2.302 3.281 8.862 591 HB ILE 73 HB ILE 73 1.850 1.735 11.077 592 1HG1 ILE 73 2HG1 ILE 73 4.802 1.378 10.502 593 2HG1 ILE 73 3HG1 ILE 73 4.177 2.268 11.912 594 1HG2 ILE 73 1HG2 ILE 73 1.498 1.241 8.852 595 2HG2 ILE 73 2HG2 ILE 73 3.252 1.043 8.517 596 3HG2 ILE 73 3HG2 ILE 73 2.399 -0.111 9.569 597 1HD1 ILE 73 1HD1 ILE 73 3.739 -0.686 11.294 598 2HD1 ILE 73 2HD1 ILE 73 4.718 0.006 12.592 599 3HD1 ILE 73 3HD1 ILE 73 2.954 0.200 12.626 600 H GLU 74 HN GLU 74 2.565 5.804 9.392 601 HA GLU 74 HA GLU 74 0.386 6.194 11.146 602 1HB GLU 74 2HB GLU 74 3.228 7.296 11.700 603 2HB GLU 74 3HB GLU 74 1.871 8.244 12.275 604 1HG GLU 74 2HG GLU 74 1.211 6.584 13.858 605 2HG GLU 74 3HG GLU 74 2.412 5.424 13.268 606 H GLY 75 HN GLY 75 -0.179 8.688 11.016 607 1HA GLY 75 1HA GLY 75 0.832 9.965 8.496 608 2HA GLY 75 2HA GLY 75 -0.893 9.781 8.830 609 H ARG 76 HN ARG 76 -1.828 10.925 10.743 610 HA ARG 76 HA ARG 76 -0.372 13.030 12.022 611 1HB ARG 76 2HB ARG 76 -2.671 13.585 10.071 612 2HB ARG 76 3HB ARG 76 -2.109 14.696 11.322 613 1HG ARG 76 2HG ARG 76 0.161 14.734 10.212 614 2HG ARG 76 3HG ARG 76 -0.501 13.724 8.918 615 1HD ARG 76 2HD ARG 76 -0.546 16.037 8.203 616 2HD ARG 76 3HD ARG 76 -2.208 15.435 8.424 617 HE ARG 76 HE ARG 76 -1.233 16.669 10.830 618 1HH1 ARG 76 1HH2 ARG 76 -2.444 17.479 7.628 619 2HH1 ARG 76 2HH2 ARG 76 -3.071 19.038 8.062 620 1HH2 ARG 76 1HH1 ARG 76 -2.033 18.747 11.464 621 2HH2 ARG 76 2HH1 ARG 76 -2.811 19.780 10.310 Start of MODEL 28 1 1H GLY 1 1H GLY 1 -9.572 7.508 10.121 2 2H GLY 1 2H GLY 1 -9.855 7.058 11.668 3 3H GLY 1 3H GLY 1 -9.862 8.682 11.237 4 1HA GLY 1 1HA GLY 1 -7.607 6.841 11.571 5 2HA GLY 1 2HA GLY 1 -7.840 8.433 12.290 6 H GLU 2 HN GLU 2 -7.614 6.783 9.077 7 HA GLU 2 HA GLU 2 -6.616 7.304 7.177 8 1HB GLU 2 2HB GLU 2 -7.498 10.112 7.950 9 2HB GLU 2 3HB GLU 2 -6.813 9.698 6.379 10 1HG GLU 2 2HG GLU 2 -8.527 8.016 5.977 11 2HG GLU 2 3HG GLU 2 -9.237 8.263 7.580 12 H VAL 3 HN VAL 3 -4.949 6.466 8.605 13 HA VAL 3 HA VAL 3 -2.528 8.058 8.996 14 HB VAL 3 HB VAL 3 -3.498 5.260 9.568 15 1HG1 VAL 3 1HG1 VAL 3 -0.605 5.884 9.026 16 2HG1 VAL 3 2HG1 VAL 3 -1.139 4.560 10.098 17 3HG1 VAL 3 3HG1 VAL 3 -1.598 4.562 8.398 18 1HG2 VAL 3 1HG2 VAL 3 -2.533 5.687 11.742 19 2HG2 VAL 3 2HG2 VAL 3 -1.821 7.206 11.175 20 3HG2 VAL 3 3HG2 VAL 3 -3.582 7.036 11.272 21 H VAL 4 HN VAL 4 -1.201 8.415 7.314 22 HA VAL 4 HA VAL 4 -1.518 7.121 4.755 23 HB VAL 4 HB VAL 4 0.360 9.232 5.894 24 1HG1 VAL 4 1HG1 VAL 4 0.189 8.083 3.110 25 2HG1 VAL 4 2HG1 VAL 4 1.022 9.606 3.528 26 3HG1 VAL 4 3HG1 VAL 4 1.593 8.075 4.212 27 1HG2 VAL 4 1HG2 VAL 4 -1.935 9.376 3.883 28 2HG2 VAL 4 2HG2 VAL 4 -2.008 9.947 5.563 29 3HG2 VAL 4 3HG2 VAL 4 -0.922 10.737 4.411 30 H LEU 5 HN LEU 5 -0.179 5.561 3.932 31 HA LEU 5 HA LEU 5 2.155 4.581 5.528 32 1HB LEU 5 2HB LEU 5 0.576 2.963 5.897 33 2HB LEU 5 3HB LEU 5 -0.171 3.117 4.310 34 HG LEU 5 HG LEU 5 0.970 0.977 4.724 35 1HD1 LEU 5 1HD1 LEU 5 0.589 1.891 2.408 36 2HD1 LEU 5 2HD1 LEU 5 2.323 2.291 2.395 37 3HD1 LEU 5 3HD1 LEU 5 1.803 0.624 2.635 38 1HD2 LEU 5 1HD2 LEU 5 3.602 2.461 4.617 39 2HD2 LEU 5 2HD2 LEU 5 2.891 1.596 5.972 40 3HD2 LEU 5 3HD2 LEU 5 3.357 0.718 4.509 41 H LYS 6 HN LYS 6 3.939 4.504 4.393 42 HA LYS 6 HA LYS 6 3.946 4.921 1.436 43 1HB LYS 6 2HB LYS 6 5.466 6.192 3.547 44 2HB LYS 6 3HB LYS 6 6.560 5.142 2.654 45 1HG LYS 6 2HG LYS 6 6.682 7.240 1.620 46 2HG LYS 6 3HG LYS 6 5.795 6.183 0.517 47 1HD LYS 6 2HD LYS 6 3.680 7.196 1.135 48 2HD LYS 6 3HD LYS 6 4.440 8.130 2.444 49 1HE LYS 6 2HE LYS 6 5.720 9.470 0.887 50 2HE LYS 6 3HE LYS 6 5.338 8.387 -0.463 51 1HZ LYS 6 1HZ LYS 6 3.332 10.038 0.915 52 2HZ LYS 6 2HZ LYS 6 4.041 10.390 -0.534 53 3HZ LYS 6 3HZ LYS 6 3.111 9.041 -0.393 54 H MET 7 HN MET 7 4.211 3.037 0.354 55 HA MET 7 HA MET 7 5.828 0.851 1.613 56 1HB MET 7 2HB MET 7 4.449 -0.593 0.099 57 2HB MET 7 3HB MET 7 3.670 -0.025 1.590 58 1HG MET 7 2HG MET 7 2.282 1.512 0.327 59 2HG MET 7 3HG MET 7 3.322 1.365 -1.065 60 1HE MET 7 1HE MET 7 0.428 -2.020 0.200 61 2HE MET 7 2HE MET 7 1.979 -1.769 1.030 62 3HE MET 7 3HE MET 7 0.707 -0.574 1.172 63 H LYS 8 HN LYS 8 7.392 -0.040 0.369 64 HA LYS 8 HA LYS 8 7.992 1.148 -2.286 65 1HB LYS 8 2HB LYS 8 9.437 -0.555 -0.308 66 2HB LYS 8 3HB LYS 8 9.762 -0.910 -2.001 67 1HG LYS 8 2HG LYS 8 9.969 1.891 -0.822 68 2HG LYS 8 3HG LYS 8 11.315 0.744 -0.936 69 1HD LYS 8 2HD LYS 8 10.444 0.690 -3.539 70 2HD LYS 8 3HD LYS 8 9.875 2.299 -3.067 71 1HE LYS 8 2HE LYS 8 11.997 2.596 -4.056 72 2HE LYS 8 3HE LYS 8 12.234 2.841 -2.318 73 1HZ LYS 8 1HZ LYS 8 12.790 0.338 -3.815 74 2HZ LYS 8 2HZ LYS 8 13.947 1.409 -3.353 75 3HZ LYS 8 3HZ LYS 8 13.082 0.536 -2.251 76 H VAL 9 HN VAL 9 8.021 -0.100 -4.186 77 HA VAL 9 HA VAL 9 6.602 -2.713 -4.116 78 HB VAL 9 HB VAL 9 6.002 -0.681 -6.286 79 1HG1 VAL 9 1HG1 VAL 9 5.440 -3.101 -6.580 80 2HG1 VAL 9 2HG1 VAL 9 4.454 -3.037 -5.105 81 3HG1 VAL 9 3HG1 VAL 9 3.993 -2.080 -6.526 82 1HG2 VAL 9 1HG2 VAL 9 3.898 -0.100 -5.127 83 2HG2 VAL 9 2HG2 VAL 9 4.506 -0.869 -3.652 84 3HG2 VAL 9 3HG2 VAL 9 5.327 0.554 -4.327 85 H GLU 10 HN GLU 10 8.924 -3.334 -4.125 86 HA GLU 10 HA GLU 10 10.672 -2.711 -6.260 87 1HB GLU 10 2HB GLU 10 10.535 -5.156 -4.482 88 2HB GLU 10 3HB GLU 10 11.899 -4.742 -5.511 89 1HG GLU 10 2HG GLU 10 10.879 -2.957 -3.246 90 2HG GLU 10 3HG GLU 10 12.226 -4.092 -3.156 91 H GLY 11 HN GLY 11 11.505 -4.336 -7.838 92 1HA GLY 11 1HA GLY 11 11.342 -6.004 -9.411 93 2HA GLY 11 2HA GLY 11 9.851 -6.581 -8.657 94 H MET 12 HN MET 12 8.077 -4.565 -8.862 95 HA MET 12 HA MET 12 7.427 -4.479 -11.650 96 1HB MET 12 2HB MET 12 6.207 -3.582 -9.127 97 2HB MET 12 3HB MET 12 6.025 -2.353 -10.373 98 1HG MET 12 2HG MET 12 5.261 -5.282 -10.640 99 2HG MET 12 3HG MET 12 4.141 -3.947 -10.370 100 1HE MET 12 1HE MET 12 5.218 -1.680 -12.440 101 2HE MET 12 2HE MET 12 4.062 -2.075 -13.720 102 3HE MET 12 3HE MET 12 3.543 -2.167 -12.033 103 H THR 13 HN THR 13 7.815 -2.970 -13.187 104 HA THR 13 HA THR 13 9.420 -0.563 -12.506 105 HB THR 13 HB THR 13 11.040 -2.341 -12.628 106 HG1 THR 13 1HG THR 13 10.949 -0.288 -14.520 107 1HG2 THR 13 1HG2 THR 13 10.041 -2.759 -15.475 108 2HG2 THR 13 2HG2 THR 13 11.464 -3.519 -14.735 109 3HG2 THR 13 3HG2 THR 13 9.846 -3.892 -14.112 110 H CYS 14 HN CYS 14 7.389 -2.238 -14.892 111 HA CYS 14 HA CYS 14 7.490 0.222 -16.588 112 1HB CYS 14 2HB CYS 14 8.453 -1.723 -17.746 113 2HB CYS 14 3HB CYS 14 6.969 -2.647 -17.405 114 HG CYS 14 HG CYS 14 6.967 -1.853 -19.897 115 H HIS 15 HN HIS 15 5.712 1.371 -16.359 116 HA HIS 15 HA HIS 15 3.697 0.984 -14.656 117 1HB HIS 15 2HB HIS 15 4.280 3.045 -15.971 118 2HB HIS 15 3HB HIS 15 3.296 2.420 -17.298 119 HD1 HIS 15 1HD HIS 15 3.035 4.413 -14.162 120 HD2 HIS 15 2HD HIS 15 0.549 2.021 -16.581 121 HE1 HIS 15 1HE HIS 15 0.630 4.987 -13.539 122 H SER 16 HN SER 16 2.349 -0.664 -14.376 123 HA SER 16 HA SER 16 0.578 -1.701 -16.437 124 1HB SER 16 2HB SER 16 2.635 -2.721 -17.196 125 2HB SER 16 3HB SER 16 3.057 -3.250 -15.568 126 HG SER 16 HG SER 16 2.054 -4.893 -16.931 127 H CYS 17 HN CYS 17 2.038 -3.633 -13.818 128 HA CYS 17 HA CYS 17 -0.444 -3.900 -12.398 129 1HB CYS 17 2HB CYS 17 2.318 -4.932 -12.114 130 2HB CYS 17 3HB CYS 17 1.495 -4.666 -10.572 131 HG CYS 17 HG CYS 17 1.244 -7.112 -11.217 132 H THR 18 HN THR 18 -0.973 -1.704 -12.391 133 HA THR 18 HA THR 18 -0.124 -0.197 -9.955 134 HB THR 18 HB THR 18 -0.550 1.855 -11.439 135 HG1 THR 18 1HG THR 18 -0.393 -0.129 -13.508 136 1HG2 THR 18 1HG2 THR 18 1.783 0.076 -12.296 137 2HG2 THR 18 2HG2 THR 18 1.644 1.830 -12.546 138 3HG2 THR 18 3HG2 THR 18 1.740 1.174 -10.902 139 H SER 19 HN SER 19 -2.442 0.557 -12.500 140 HA SER 19 HA SER 19 -4.502 1.073 -10.725 141 1HB SER 19 2HB SER 19 -4.453 1.843 -13.104 142 2HB SER 19 3HB SER 19 -4.773 0.178 -13.643 143 HG SER 19 HG SER 19 -6.663 1.535 -13.530 144 H THR 20 HN THR 20 -3.988 -2.055 -12.263 145 HA THR 20 HA THR 20 -6.123 -3.381 -11.124 146 HB THR 20 HB THR 20 -3.202 -4.299 -11.369 147 HG1 THR 20 1HG THR 20 -4.010 -5.061 -13.404 148 1HG2 THR 20 1HG2 THR 20 -5.856 -5.744 -11.150 149 2HG2 THR 20 2HG2 THR 20 -4.317 -6.547 -11.592 150 3HG2 THR 20 3HG2 THR 20 -4.506 -5.791 -9.993 151 H ILE 21 HN ILE 21 -2.941 -2.731 -9.564 152 HA ILE 21 HA ILE 21 -3.615 -3.985 -7.076 153 HB ILE 21 HB ILE 21 -1.413 -2.236 -8.176 154 1HG1 ILE 21 2HG1 ILE 21 -0.039 -4.064 -7.105 155 2HG1 ILE 21 3HG1 ILE 21 -1.537 -4.929 -6.727 156 1HG2 ILE 21 1HG2 ILE 21 -1.795 -1.191 -6.000 157 2HG2 ILE 21 2HG2 ILE 21 -1.596 -2.801 -5.234 158 3HG2 ILE 21 3HG2 ILE 21 -0.266 -2.061 -6.173 159 1HD1 ILE 21 1HD1 ILE 21 -0.618 -3.987 -9.452 160 2HD1 ILE 21 2HD1 ILE 21 -0.357 -5.634 -8.825 161 3HD1 ILE 21 3HD1 ILE 21 -2.011 -5.064 -9.146 162 H GLU 22 HN GLU 22 -3.748 -0.582 -8.282 163 HA GLU 22 HA GLU 22 -4.430 0.578 -5.828 164 1HB GLU 22 2HB GLU 22 -4.995 1.453 -8.683 165 2HB GLU 22 3HB GLU 22 -5.261 2.484 -7.289 166 1HG GLU 22 2HG GLU 22 -2.932 2.347 -6.650 167 2HG GLU 22 3HG GLU 22 -2.562 1.188 -7.921 168 H GLY 23 HN GLY 23 -6.544 -0.018 -8.524 169 1HA GLY 23 1HA GLY 23 -9.103 0.252 -7.471 170 2HA GLY 23 2HA GLY 23 -8.680 -0.892 -8.755 171 H LYS 24 HN LYS 24 -7.202 -2.851 -7.572 172 HA LYS 24 HA LYS 24 -9.117 -4.439 -6.262 173 1HB LYS 24 2HB LYS 24 -7.166 -5.348 -7.445 174 2HB LYS 24 3HB LYS 24 -6.080 -4.595 -6.280 175 1HG LYS 24 2HG LYS 24 -6.116 -6.863 -5.815 176 2HG LYS 24 3HG LYS 24 -6.973 -6.112 -4.482 177 1HD LYS 24 2HD LYS 24 -8.519 -7.188 -6.873 178 2HD LYS 24 3HD LYS 24 -7.806 -8.324 -5.722 179 1HE LYS 24 2HE LYS 24 -9.022 -7.257 -3.842 180 2HE LYS 24 3HE LYS 24 -9.804 -6.137 -4.963 181 1HZ LYS 24 1HZ LYS 24 -10.072 -9.069 -5.016 182 2HZ LYS 24 2HZ LYS 24 -11.192 -8.006 -4.457 183 3HZ LYS 24 3HZ LYS 24 -10.804 -8.024 -6.057 184 H ILE 25 HN ILE 25 -6.228 -2.790 -4.869 185 HA ILE 25 HA ILE 25 -6.753 -3.481 -2.197 186 HB ILE 25 HB ILE 25 -5.101 -1.376 -3.618 187 1HG1 ILE 25 2HG1 ILE 25 -4.452 -3.751 -3.960 188 2HG1 ILE 25 3HG1 ILE 25 -3.209 -2.689 -3.289 189 1HG2 ILE 25 1HG2 ILE 25 -3.815 -1.136 -1.483 190 2HG2 ILE 25 2HG2 ILE 25 -5.333 -0.246 -1.705 191 3HG2 ILE 25 3HG2 ILE 25 -5.306 -1.702 -0.687 192 1HD1 ILE 25 1HD1 ILE 25 -4.982 -4.543 -1.681 193 2HD1 ILE 25 2HD1 ILE 25 -3.340 -4.918 -2.214 194 3HD1 ILE 25 3HD1 ILE 25 -3.615 -3.561 -1.087 195 H GLY 26 HN GLY 26 -7.873 -0.761 -4.133 196 1HA GLY 26 1HA GLY 26 -9.017 0.876 -2.200 197 2HA GLY 26 2HA GLY 26 -9.659 0.598 -3.825 198 H LYS 27 HN LYS 27 -10.051 -2.481 -2.951 199 HA LYS 27 HA LYS 27 -12.739 -2.009 -1.849 200 1HB LYS 27 2HB LYS 27 -11.326 -4.237 -3.249 201 2HB LYS 27 3HB LYS 27 -12.633 -4.620 -2.159 202 1HG LYS 27 2HG LYS 27 -12.875 -2.559 -4.398 203 2HG LYS 27 3HG LYS 27 -13.255 -4.270 -4.550 204 1HD LYS 27 2HD LYS 27 -14.837 -3.881 -2.458 205 2HD LYS 27 3HD LYS 27 -14.667 -2.177 -2.868 206 1HE LYS 27 2HE LYS 27 -16.670 -2.882 -3.892 207 2HE LYS 27 3HE LYS 27 -15.495 -2.678 -5.198 208 1HZ LYS 27 1HZ LYS 27 -16.269 -5.245 -3.948 209 2HZ LYS 27 2HZ LYS 27 -16.794 -4.695 -5.404 210 3HZ LYS 27 3HZ LYS 27 -15.210 -5.076 -5.199 211 H LEU 28 HN LEU 28 -9.469 -2.852 -0.687 212 HA LEU 28 HA LEU 28 -10.330 -4.773 1.091 213 1HB LEU 28 2HB LEU 28 -7.858 -3.060 1.052 214 2HB LEU 28 3HB LEU 28 -8.118 -4.409 2.147 215 HG LEU 28 HG LEU 28 -6.899 -4.544 -0.348 216 1HD1 LEU 28 1HD1 LEU 28 -6.440 -5.871 1.632 217 2HD1 LEU 28 2HD1 LEU 28 -8.011 -6.694 1.436 218 3HD1 LEU 28 3HD1 LEU 28 -6.728 -6.904 0.214 219 1HD2 LEU 28 1HD2 LEU 28 -9.066 -4.765 -1.513 220 2HD2 LEU 28 2HD2 LEU 28 -8.152 -6.271 -1.545 221 3HD2 LEU 28 3HD2 LEU 28 -9.501 -6.096 -0.407 222 H GLN 29 HN GLN 29 -10.832 -4.790 3.159 223 HA GLN 29 HA GLN 29 -12.100 -2.674 4.445 224 1HB GLN 29 2HB GLN 29 -12.226 -4.099 6.377 225 2HB GLN 29 3HB GLN 29 -12.525 -4.989 4.877 226 1HG GLN 29 2HG GLN 29 -9.988 -5.581 4.982 227 2HG GLN 29 3HG GLN 29 -10.082 -5.041 6.666 228 1HE2 GLN 29 2HE2 GLN 29 -9.268 -7.524 6.555 229 2HE2 GLN 29 1HE2 GLN 29 -10.562 -8.679 6.815 230 H GLY 30 HN GLY 30 -11.198 -0.777 5.016 231 1HA GLY 30 1HA GLY 30 -10.061 0.233 6.943 232 2HA GLY 30 2HA GLY 30 -8.657 -0.799 6.627 233 H VAL 31 HN VAL 31 -9.171 -0.312 3.537 234 HA VAL 31 HA VAL 31 -7.348 1.953 3.488 235 HB VAL 31 HB VAL 31 -8.549 -0.055 1.540 236 1HG1 VAL 31 1HG1 VAL 31 -7.055 0.920 -0.200 237 2HG1 VAL 31 2HG1 VAL 31 -8.432 1.933 0.251 238 3HG1 VAL 31 3HG1 VAL 31 -6.802 2.328 0.868 239 1HG2 VAL 31 1HG2 VAL 31 -5.685 0.523 2.429 240 2HG2 VAL 31 2HG2 VAL 31 -6.691 -0.824 3.000 241 3HG2 VAL 31 3HG2 VAL 31 -6.194 -0.749 1.301 242 H GLN 32 HN GLN 32 -7.850 3.953 3.059 243 HA GLN 32 HA GLN 32 -10.585 4.688 2.202 244 1HB GLN 32 2HB GLN 32 -8.554 5.939 3.803 245 2HB GLN 32 3HB GLN 32 -9.198 7.055 2.581 246 1HG GLN 32 2HG GLN 32 -10.961 5.385 4.420 247 2HG GLN 32 3HG GLN 32 -10.304 6.942 4.903 248 1HE2 GLN 32 2HE2 GLN 32 -11.662 8.661 4.620 249 2HE2 GLN 32 1HE2 GLN 32 -12.914 8.741 3.388 250 H ARG 33 HN ARG 33 -7.075 5.302 1.253 251 HA ARG 33 HA ARG 33 -7.976 5.341 -1.563 252 1HB ARG 33 2HB ARG 33 -7.724 7.769 -0.110 253 2HB ARG 33 3HB ARG 33 -6.174 7.589 -0.910 254 1HG ARG 33 2HG ARG 33 -7.170 8.649 -2.612 255 2HG ARG 33 3HG ARG 33 -7.854 7.081 -3.033 256 1HD ARG 33 2HD ARG 33 -9.131 9.316 -1.381 257 2HD ARG 33 3HD ARG 33 -9.586 8.814 -3.026 258 HE ARG 33 HE ARG 33 -9.793 6.569 -1.267 259 1HH1 ARG 33 1HH2 ARG 33 -11.475 9.636 -1.792 260 2HH1 ARG 33 2HH2 ARG 33 -12.943 9.096 -1.031 261 1HH2 ARG 33 1HH1 ARG 33 -11.548 5.907 -0.247 262 2HH2 ARG 33 2HH1 ARG 33 -12.928 6.912 0.060 263 H ILE 34 HN ILE 34 -6.154 5.263 -3.069 264 HA ILE 34 HA ILE 34 -3.525 4.602 -1.962 265 HB ILE 34 HB ILE 34 -4.549 2.435 -2.112 266 1HG1 ILE 34 2HG1 ILE 34 -2.786 2.736 -4.561 267 2HG1 ILE 34 3HG1 ILE 34 -2.136 2.948 -2.952 268 1HG2 ILE 34 1HG2 ILE 34 -5.492 1.464 -4.108 269 2HG2 ILE 34 2HG2 ILE 34 -6.357 2.959 -3.817 270 3HG2 ILE 34 3HG2 ILE 34 -5.132 2.875 -5.092 271 1HD1 ILE 34 1HD1 ILE 34 -3.437 0.377 -3.946 272 2HD1 ILE 34 2HD1 ILE 34 -1.706 0.686 -3.756 273 3HD1 ILE 34 3HD1 ILE 34 -2.767 0.653 -2.343 274 H LYS 35 HN LYS 35 -1.845 5.269 -3.219 275 HA LYS 35 HA LYS 35 -2.347 6.049 -6.055 276 1HB LYS 35 2HB LYS 35 -0.632 7.545 -4.031 277 2HB LYS 35 3HB LYS 35 -0.620 7.779 -5.775 278 1HG LYS 35 2HG LYS 35 -1.889 9.502 -4.947 279 2HG LYS 35 3HG LYS 35 -3.060 8.384 -5.680 280 1HD LYS 35 2HD LYS 35 -3.965 7.785 -3.572 281 2HD LYS 35 3HD LYS 35 -2.454 8.120 -2.720 282 1HE LYS 35 2HE LYS 35 -4.162 9.746 -2.143 283 2HE LYS 35 3HE LYS 35 -2.793 10.513 -2.970 284 1HZ LYS 35 1HZ LYS 35 -5.360 9.802 -4.245 285 2HZ LYS 35 2HZ LYS 35 -4.916 11.319 -3.781 286 3HZ LYS 35 3HZ LYS 35 -4.096 10.551 -4.981 287 H VAL 36 HN VAL 36 -0.988 4.623 -7.263 288 HA VAL 36 HA VAL 36 1.567 3.679 -5.995 289 HB VAL 36 HB VAL 36 -0.131 2.476 -8.191 290 1HG1 VAL 36 1HG1 VAL 36 1.416 0.524 -7.978 291 2HG1 VAL 36 2HG1 VAL 36 2.221 1.941 -8.658 292 3HG1 VAL 36 3HG1 VAL 36 2.492 1.511 -6.960 293 1HG2 VAL 36 1HG2 VAL 36 -0.901 2.256 -5.738 294 2HG2 VAL 36 2HG2 VAL 36 -0.606 0.739 -6.603 295 3HG2 VAL 36 3HG2 VAL 36 0.580 1.349 -5.448 296 H SER 37 HN SER 37 2.916 5.569 -6.440 297 HA SER 37 HA SER 37 3.204 6.590 -9.062 298 1HB SER 37 2HB SER 37 4.878 6.766 -6.540 299 2HB SER 37 3HB SER 37 4.837 7.875 -7.893 300 HG SER 37 HG SER 37 2.799 8.522 -7.293 301 H LEU 38 HN LEU 38 3.619 4.343 -10.107 302 HA LEU 38 HA LEU 38 5.721 2.709 -9.606 303 1HB LEU 38 2HB LEU 38 3.909 3.005 -11.677 304 2HB LEU 38 3HB LEU 38 5.403 3.403 -12.514 305 HG LEU 38 HG LEU 38 4.715 1.108 -12.654 306 1HD1 LEU 38 1HD1 LEU 38 7.311 1.278 -11.049 307 2HD1 LEU 38 2HD1 LEU 38 6.854 0.010 -12.189 308 3HD1 LEU 38 3HD1 LEU 38 7.163 1.656 -12.779 309 1HD2 LEU 38 1HD2 LEU 38 3.915 1.190 -10.085 310 2HD2 LEU 38 2HD2 LEU 38 4.224 -0.306 -10.956 311 3HD2 LEU 38 3HD2 LEU 38 5.462 0.347 -9.874 312 H ASP 39 HN ASP 39 5.967 5.850 -11.286 313 HA ASP 39 HA ASP 39 8.537 6.158 -12.073 314 1HB ASP 39 2HB ASP 39 7.192 8.094 -10.132 315 2HB ASP 39 3HB ASP 39 8.316 8.459 -11.423 316 H ASN 40 HN ASN 40 7.334 6.363 -8.735 317 HA ASN 40 HA ASN 40 9.959 7.012 -7.742 318 1HB ASN 40 2HB ASN 40 7.669 7.995 -6.985 319 2HB ASN 40 3HB ASN 40 7.540 6.546 -5.995 320 1HD2 ASN 40 2HD2 ASN 40 7.500 8.988 -4.749 321 2HD2 ASN 40 1HD2 ASN 40 9.036 9.278 -3.944 322 H GLN 41 HN GLN 41 8.242 4.178 -8.437 323 HA GLN 41 HA GLN 41 8.220 2.029 -7.842 324 1HB GLN 41 2HB GLN 41 10.890 2.474 -6.441 325 2HB GLN 41 3HB GLN 41 10.271 1.001 -7.216 326 1HG GLN 41 2HG GLN 41 10.148 2.273 -9.362 327 2HG GLN 41 3HG GLN 41 10.912 3.641 -8.552 328 1HE2 GLN 41 2HE2 GLN 41 12.488 3.368 -10.389 329 2HE2 GLN 41 1HE2 GLN 41 13.842 2.288 -10.088 330 H GLU 42 HN GLU 42 7.193 4.110 -6.147 331 HA GLU 42 HA GLU 42 6.845 2.657 -3.593 332 1HB GLU 42 2HB GLU 42 8.630 4.671 -3.605 333 2HB GLU 42 3HB GLU 42 7.189 5.671 -3.482 334 1HG GLU 42 2HG GLU 42 6.493 4.572 -1.421 335 2HG GLU 42 3HG GLU 42 7.704 3.305 -1.635 336 H ALA 43 HN ALA 43 4.868 2.981 -2.585 337 HA ALA 43 HA ALA 43 2.785 4.465 -4.123 338 1HB ALA 43 1HB ALA 43 2.556 1.656 -2.991 339 2HB ALA 43 2HB ALA 43 1.229 2.630 -3.643 340 3HB ALA 43 3HB ALA 43 2.595 2.127 -4.678 341 H THR 44 HN THR 44 1.037 5.266 -2.775 342 HA THR 44 HA THR 44 1.728 5.616 0.080 343 HB THR 44 HB THR 44 0.636 7.573 -1.995 344 HG1 THR 44 1HG THR 44 2.907 7.158 -1.995 345 1HG2 THR 44 1HG2 THR 44 1.160 7.879 0.980 346 2HG2 THR 44 2HG2 THR 44 0.730 9.210 -0.136 347 3HG2 THR 44 3HG2 THR 44 -0.422 7.903 0.169 348 H ILE 45 HN ILE 45 0.100 4.435 1.138 349 HA ILE 45 HA ILE 45 -2.641 4.590 -0.012 350 HB ILE 45 HB ILE 45 -1.431 2.646 1.950 351 1HG1 ILE 45 2HG1 ILE 45 -2.447 2.312 -0.877 352 2HG1 ILE 45 3HG1 ILE 45 -0.720 2.465 -0.501 353 1HG2 ILE 45 1HG2 ILE 45 -4.235 2.660 0.748 354 2HG2 ILE 45 2HG2 ILE 45 -3.543 1.359 1.715 355 3HG2 ILE 45 3HG2 ILE 45 -3.837 2.905 2.465 356 1HD1 ILE 45 1HD1 ILE 45 -2.552 0.191 0.189 357 2HD1 ILE 45 2HD1 ILE 45 -0.991 0.189 -0.646 358 3HD1 ILE 45 3HD1 ILE 45 -1.065 0.560 1.107 359 H VAL 46 HN VAL 46 -4.356 4.890 1.593 360 HA VAL 46 HA VAL 46 -3.530 6.109 4.138 361 HB VAL 46 HB VAL 46 -4.093 7.906 2.639 362 1HG1 VAL 46 1HG1 VAL 46 -5.698 6.851 1.346 363 2HG1 VAL 46 2HG1 VAL 46 -6.812 6.756 2.738 364 3HG1 VAL 46 3HG1 VAL 46 -6.375 8.344 2.055 365 1HG2 VAL 46 1HG2 VAL 46 -6.001 7.524 4.988 366 2HG2 VAL 46 2HG2 VAL 46 -4.326 8.108 5.135 367 3HG2 VAL 46 3HG2 VAL 46 -5.533 9.079 4.273 368 H TYR 47 HN TYR 47 -4.379 5.024 5.804 369 HA TYR 47 HA TYR 47 -6.883 3.597 5.677 370 1HB TYR 47 2HB TYR 47 -5.901 1.380 6.212 371 2HB TYR 47 3HB TYR 47 -5.441 1.932 4.616 372 HD1 TYR 47 1HD TYR 47 -3.363 1.217 3.996 373 HD2 TYR 47 2HD TYR 47 -3.983 2.134 8.163 374 HE1 TYR 47 1HE TYR 47 -1.166 0.271 4.563 375 HE2 TYR 47 2HE TYR 47 -1.683 1.534 8.643 376 HH TYR 47 HH TYR 47 0.096 -0.559 6.629 377 H GLN 48 HN GLN 48 -6.922 2.271 8.103 378 HA GLN 48 HA GLN 48 -5.092 3.668 9.930 379 1HB GLN 48 2HB GLN 48 -6.840 4.962 10.464 380 2HB GLN 48 3HB GLN 48 -8.047 3.995 9.642 381 1HG GLN 48 2HG GLN 48 -8.306 2.481 11.425 382 2HG GLN 48 3HG GLN 48 -6.943 3.166 12.297 383 1HE2 GLN 48 2HE2 GLN 48 -8.137 3.706 14.195 384 2HE2 GLN 48 1HE2 GLN 48 -9.353 4.962 14.198 385 HA PRO 49 HA PRO 49 -4.500 -0.429 11.440 386 1HB PRO 49 2HB PRO 49 -3.412 0.062 13.893 387 2HB PRO 49 3HB PRO 49 -2.556 0.424 12.379 388 1HG PRO 49 2HG PRO 49 -4.188 2.347 14.055 389 2HG PRO 49 3HG PRO 49 -2.518 2.570 13.455 390 1HD PRO 49 2HD PRO 49 -4.623 3.612 12.133 391 2HD PRO 49 3HD PRO 49 -3.271 2.873 11.224 392 H HIS 50 HN HIS 50 -6.893 -0.539 11.356 393 HA HIS 50 HA HIS 50 -7.859 -1.360 14.017 394 1HB HIS 50 2HB HIS 50 -8.656 0.992 13.761 395 2HB HIS 50 3HB HIS 50 -9.473 0.542 12.257 396 HD1 HIS 50 1HD HIS 50 -9.658 -1.756 15.333 397 HD2 HIS 50 2HD HIS 50 -11.904 1.132 13.250 398 HE1 HIS 50 1HE HIS 50 -12.015 -1.817 16.309 399 H LEU 51 HN LEU 51 -8.797 -0.947 10.573 400 HA LEU 51 HA LEU 51 -10.094 -3.601 10.556 401 1HB LEU 51 2HB LEU 51 -9.816 -1.348 8.580 402 2HB LEU 51 3HB LEU 51 -10.524 -2.906 8.125 403 HG LEU 51 HG LEU 51 -11.573 -1.323 10.491 404 1HD1 LEU 51 1HD1 LEU 51 -13.327 -0.427 8.967 405 2HD1 LEU 51 2HD1 LEU 51 -11.713 0.183 8.583 406 3HD1 LEU 51 3HD1 LEU 51 -12.441 -1.096 7.580 407 1HD2 LEU 51 1HD2 LEU 51 -12.856 -3.407 8.663 408 2HD2 LEU 51 2HD2 LEU 51 -12.303 -3.697 10.324 409 3HD2 LEU 51 3HD2 LEU 51 -13.648 -2.592 10.024 410 H ILE 52 HN ILE 52 -6.982 -2.099 9.642 411 HA ILE 52 HA ILE 52 -6.147 -4.645 8.421 412 HB ILE 52 HB ILE 52 -6.414 -2.680 6.895 413 1HG1 ILE 52 2HG1 ILE 52 -4.155 -2.962 5.906 414 2HG1 ILE 52 3HG1 ILE 52 -3.647 -3.942 7.260 415 1HG2 ILE 52 1HG2 ILE 52 -4.005 -1.637 8.387 416 2HG2 ILE 52 2HG2 ILE 52 -4.792 -0.915 6.966 417 3HG2 ILE 52 3HG2 ILE 52 -5.657 -0.999 8.515 418 1HD1 ILE 52 1HD1 ILE 52 -6.154 -4.560 5.636 419 2HD1 ILE 52 2HD1 ILE 52 -4.554 -5.180 5.160 420 3HD1 ILE 52 3HD1 ILE 52 -5.270 -5.660 6.709 421 H SER 53 HN SER 53 -4.193 -5.492 9.072 422 HA SER 53 HA SER 53 -3.341 -4.666 11.712 423 1HB SER 53 2HB SER 53 -2.217 -6.735 9.935 424 2HB SER 53 3HB SER 53 -1.921 -6.590 11.676 425 HG SER 53 HG SER 53 -4.351 -7.213 10.342 426 H VAL 54 HN VAL 54 -2.779 -2.873 9.464 427 HA VAL 54 HA VAL 54 -1.304 -1.320 8.828 428 HB VAL 54 HB VAL 54 -0.616 -1.875 11.474 429 1HG1 VAL 54 1HG1 VAL 54 1.876 -1.711 9.777 430 2HG1 VAL 54 2HG1 VAL 54 1.817 -1.329 11.511 431 3HG1 VAL 54 3HG1 VAL 54 1.457 -2.969 10.958 432 1HG2 VAL 54 1HG2 VAL 54 0.238 0.392 9.675 433 2HG2 VAL 54 2HG2 VAL 54 -1.321 0.225 10.508 434 3HG2 VAL 54 3HG2 VAL 54 0.167 0.411 11.453 435 H GLU 55 HN GLU 55 0.509 -4.213 9.536 436 HA GLU 55 HA GLU 55 2.278 -3.935 7.278 437 1HB GLU 55 2HB GLU 55 2.724 -4.813 9.639 438 2HB GLU 55 3HB GLU 55 1.934 -6.287 9.075 439 1HG GLU 55 2HG GLU 55 4.409 -6.402 9.006 440 2HG GLU 55 3HG GLU 55 3.690 -6.585 7.409 441 H GLU 56 HN GLU 56 -0.619 -5.839 8.086 442 HA GLU 56 HA GLU 56 -0.726 -7.825 6.172 443 1HB GLU 56 2HB GLU 56 -2.738 -6.044 7.492 444 2HB GLU 56 3HB GLU 56 -3.272 -6.868 6.028 445 1HG GLU 56 2HG GLU 56 -2.763 -9.020 6.861 446 2HG GLU 56 3HG GLU 56 -2.124 -8.364 8.381 447 H MET 57 HN MET 57 -1.817 -4.427 5.677 448 HA MET 57 HA MET 57 -2.754 -4.529 3.208 449 1HB MET 57 2HB MET 57 -1.962 -2.557 5.056 450 2HB MET 57 3HB MET 57 -1.078 -2.137 3.581 451 1HG MET 57 2HG MET 57 -4.090 -2.583 3.869 452 2HG MET 57 3HG MET 57 -3.220 -1.085 3.753 453 1HE MET 57 1HE MET 57 -5.165 -3.498 0.573 454 2HE MET 57 2HE MET 57 -4.497 -4.338 1.966 455 3HE MET 57 3HE MET 57 -5.661 -3.017 2.199 456 H LYS 58 HN LYS 58 0.743 -4.245 3.961 457 HA LYS 58 HA LYS 58 1.458 -4.297 1.121 458 1HB LYS 58 2HB LYS 58 2.857 -3.149 2.885 459 2HB LYS 58 3HB LYS 58 3.172 -4.734 3.592 460 1HG LYS 58 2HG LYS 58 5.073 -4.399 2.346 461 2HG LYS 58 3HG LYS 58 4.162 -5.392 1.249 462 1HD LYS 58 2HD LYS 58 4.104 -2.379 1.141 463 2HD LYS 58 3HD LYS 58 5.407 -3.291 0.422 464 1HE LYS 58 2HE LYS 58 3.763 -4.554 -1.011 465 2HE LYS 58 3HE LYS 58 2.508 -3.452 -0.500 466 1HZ LYS 58 1HZ LYS 58 4.979 -2.428 -1.728 467 2HZ LYS 58 2HZ LYS 58 3.647 -2.884 -2.594 468 3HZ LYS 58 3HZ LYS 58 3.538 -1.683 -1.489 469 H LYS 59 HN LYS 59 1.505 -6.608 3.868 470 HA LYS 59 HA LYS 59 2.840 -8.670 2.460 471 1HB LYS 59 2HB LYS 59 1.122 -8.536 4.906 472 2HB LYS 59 3HB LYS 59 1.434 -10.122 4.195 473 1HG LYS 59 2HG LYS 59 3.105 -9.479 5.935 474 2HG LYS 59 3HG LYS 59 3.790 -9.894 4.355 475 1HD LYS 59 2HD LYS 59 4.078 -7.482 3.823 476 2HD LYS 59 3HD LYS 59 3.392 -7.037 5.362 477 1HE LYS 59 2HE LYS 59 5.291 -8.045 6.546 478 2HE LYS 59 3HE LYS 59 5.819 -8.881 5.077 479 1HZ LYS 59 1HZ LYS 59 5.870 -5.985 5.512 480 2HZ LYS 59 2HZ LYS 59 7.163 -6.983 5.426 481 3HZ LYS 59 3HZ LYS 59 6.251 -6.744 4.076 482 H GLN 60 HN GLN 60 -0.531 -7.723 2.193 483 HA GLN 60 HA GLN 60 -1.526 -10.018 0.813 484 1HB GLN 60 2HB GLN 60 -2.122 -7.070 0.489 485 2HB GLN 60 3HB GLN 60 -3.129 -8.374 -0.123 486 1HG GLN 60 2HG GLN 60 -2.513 -8.403 2.830 487 2HG GLN 60 3HG GLN 60 -3.502 -7.095 2.192 488 1HE2 GLN 60 2HE2 GLN 60 -3.305 -10.535 2.961 489 2HE2 GLN 60 1HE2 GLN 60 -4.984 -10.897 2.604 490 H ILE 61 HN ILE 61 -0.012 -7.030 -0.264 491 HA ILE 61 HA ILE 61 0.244 -7.713 -3.061 492 HB ILE 61 HB ILE 61 1.619 -5.654 -1.371 493 1HG1 ILE 61 2HG1 ILE 61 0.423 -4.315 -3.397 494 2HG1 ILE 61 3HG1 ILE 61 -0.649 -5.706 -3.377 495 1HG2 ILE 61 1HG2 ILE 61 2.052 -6.227 -4.330 496 2HG2 ILE 61 2HG2 ILE 61 2.590 -4.761 -3.487 497 3HG2 ILE 61 3HG2 ILE 61 3.288 -6.316 -3.052 498 1HD1 ILE 61 1HD1 ILE 61 0.085 -4.051 -0.926 499 2HD1 ILE 61 2HD1 ILE 61 -1.321 -3.732 -1.943 500 3HD1 ILE 61 3HD1 ILE 61 -1.209 -5.270 -1.052 501 H GLU 62 HN GLU 62 2.528 -8.116 -0.299 502 HA GLU 62 HA GLU 62 4.788 -8.985 -1.804 503 1HB GLU 62 2HB GLU 62 4.006 -9.932 0.974 504 2HB GLU 62 3HB GLU 62 5.585 -10.046 0.198 505 1HG GLU 62 2HG GLU 62 5.588 -7.542 -0.066 506 2HG GLU 62 3HG GLU 62 4.105 -7.492 0.868 507 H ALA 63 HN ALA 63 2.098 -10.759 -0.297 508 HA ALA 63 HA ALA 63 2.718 -13.365 -1.088 509 1HB ALA 63 1HB ALA 63 0.036 -12.071 -0.490 510 2HB ALA 63 2HB ALA 63 0.357 -13.821 -0.495 511 3HB ALA 63 3HB ALA 63 1.158 -12.763 0.691 512 H MET 64 HN MET 64 1.404 -10.791 -3.160 513 HA MET 64 HA MET 64 0.209 -12.580 -5.123 514 1HB MET 64 2HB MET 64 1.449 -9.834 -5.513 515 2HB MET 64 3HB MET 64 0.416 -10.697 -6.642 516 1HG MET 64 2HG MET 64 -0.501 -9.701 -3.921 517 2HG MET 64 3HG MET 64 -0.703 -8.877 -5.455 518 1HE MET 64 1HE MET 64 -1.588 -12.546 -3.914 519 2HE MET 64 2HE MET 64 -2.269 -11.233 -2.929 520 3HE MET 64 3HE MET 64 -3.336 -12.273 -3.895 521 H GLY 65 HN GLY 65 3.499 -11.603 -4.284 522 1HA GLY 65 1HA GLY 65 5.017 -13.483 -5.087 523 2HA GLY 65 2HA GLY 65 4.564 -12.994 -6.727 524 H PHE 66 HN PHE 66 4.434 -10.103 -5.955 525 HA PHE 66 HA PHE 66 7.188 -9.470 -6.627 526 1HB PHE 66 2HB PHE 66 4.754 -7.769 -6.010 527 2HB PHE 66 3HB PHE 66 6.344 -7.101 -6.349 528 HD1 PHE 66 1HD PHE 66 3.474 -8.917 -7.851 529 HD2 PHE 66 2HD PHE 66 7.409 -7.287 -8.533 530 HE1 PHE 66 1HE PHE 66 3.235 -9.342 -10.276 531 HE2 PHE 66 2HE PHE 66 7.181 -7.748 -10.947 532 HZ PHE 66 HZ PHE 66 5.076 -8.745 -11.840 533 HA PRO 67 HA PRO 67 7.914 -9.479 -2.069 534 1HB PRO 67 2HB PRO 67 10.626 -9.150 -2.033 535 2HB PRO 67 3HB PRO 67 9.855 -10.707 -2.457 536 1HG PRO 67 2HG PRO 67 10.895 -8.585 -4.357 537 2HG PRO 67 3HG PRO 67 11.203 -10.343 -4.402 538 1HD PRO 67 2HD PRO 67 9.279 -9.154 -5.921 539 2HD PRO 67 3HD PRO 67 9.058 -10.789 -5.234 540 H ALA 68 HN ALA 68 7.305 -7.573 -1.046 541 HA ALA 68 HA ALA 68 8.407 -4.981 -2.095 542 1HB ALA 68 1HB ALA 68 6.043 -5.519 -2.728 543 2HB ALA 68 2HB ALA 68 5.660 -5.569 -0.992 544 3HB ALA 68 3HB ALA 68 6.235 -4.063 -1.745 545 H PHE 69 HN PHE 69 7.374 -3.288 -0.108 546 HA PHE 69 HA PHE 69 8.153 -4.310 2.459 547 1HB PHE 69 2HB PHE 69 10.344 -3.877 1.049 548 2HB PHE 69 3HB PHE 69 9.985 -2.178 1.289 549 HD1 PHE 69 1HD PHE 69 10.776 -5.411 2.934 550 HD2 PHE 69 2HD PHE 69 10.404 -1.147 3.491 551 HE1 PHE 69 1HE PHE 69 11.903 -5.593 5.137 552 HE2 PHE 69 2HE PHE 69 11.453 -1.348 5.716 553 HZ PHE 69 HZ PHE 69 12.244 -3.559 6.535 554 H VAL 70 HN VAL 70 7.953 -2.850 4.195 555 HA VAL 70 HA VAL 70 6.089 -0.573 3.707 556 HB VAL 70 HB VAL 70 6.504 -2.485 6.050 557 1HG1 VAL 70 1HG1 VAL 70 4.953 0.124 5.985 558 2HG1 VAL 70 2HG1 VAL 70 4.663 -1.167 7.170 559 3HG1 VAL 70 3HG1 VAL 70 6.226 -0.355 7.121 560 1HG2 VAL 70 1HG2 VAL 70 4.135 -1.809 4.258 561 2HG2 VAL 70 2HG2 VAL 70 5.061 -3.334 4.311 562 3HG2 VAL 70 3HG2 VAL 70 4.048 -2.866 5.679 563 H LYS 71 HN LYS 71 6.886 1.401 4.108 564 HA LYS 71 HA LYS 71 9.502 1.650 5.512 565 1HB LYS 71 2HB LYS 71 8.011 3.548 3.720 566 2HB LYS 71 3HB LYS 71 9.461 3.990 4.647 567 1HG LYS 71 2HG LYS 71 10.781 2.246 3.623 568 2HG LYS 71 3HG LYS 71 9.363 1.500 2.895 569 1HD LYS 71 2HD LYS 71 10.645 2.569 1.236 570 2HD LYS 71 3HD LYS 71 9.066 3.335 1.346 571 1HE LYS 71 2HE LYS 71 11.286 4.605 2.951 572 2HE LYS 71 3HE LYS 71 11.508 4.612 1.195 573 1HZ LYS 71 1HZ LYS 71 9.108 5.679 2.488 574 2HZ LYS 71 2HZ LYS 71 10.372 6.575 1.908 575 3HZ LYS 71 3HZ LYS 71 9.453 5.688 0.887 576 H LYS 72 HN LYS 72 6.587 3.817 5.715 577 HA LYS 72 HA LYS 72 7.000 3.769 8.686 578 1HB LYS 72 2HB LYS 72 6.411 5.978 8.936 579 2HB LYS 72 3HB LYS 72 7.674 5.986 7.709 580 1HG LYS 72 2HG LYS 72 6.084 6.496 5.963 581 2HG LYS 72 3HG LYS 72 4.699 6.088 6.986 582 1HD LYS 72 2HD LYS 72 5.313 7.934 8.551 583 2HD LYS 72 3HD LYS 72 6.509 8.488 7.363 584 1HE LYS 72 2HE LYS 72 4.758 8.948 5.737 585 2HE LYS 72 3HE LYS 72 3.550 8.056 6.678 586 1HZ LYS 72 1HZ LYS 72 4.774 10.555 7.619 587 2HZ LYS 72 2HZ LYS 72 3.288 10.430 6.931 588 3HZ LYS 72 3HZ LYS 72 3.559 9.689 8.345 589 H ILE 73 HN ILE 73 5.079 3.918 9.961 590 HA ILE 73 HA ILE 73 2.563 3.404 8.527 591 HB ILE 73 HB ILE 73 2.073 1.688 10.423 592 1HG1 ILE 73 2HG1 ILE 73 3.989 0.227 10.512 593 2HG1 ILE 73 3HG1 ILE 73 5.056 1.472 9.892 594 1HG2 ILE 73 1HG2 ILE 73 3.637 1.159 7.911 595 2HG2 ILE 73 2HG2 ILE 73 2.549 0.030 8.723 596 3HG2 ILE 73 3HG2 ILE 73 1.874 1.494 8.005 597 1HD1 ILE 73 1HD1 ILE 73 3.466 1.597 12.516 598 2HD1 ILE 73 2HD1 ILE 73 5.209 1.277 12.389 599 3HD1 ILE 73 3HD1 ILE 73 4.566 2.868 11.932 600 H GLU 74 HN GLU 74 2.808 5.892 9.251 601 HA GLU 74 HA GLU 74 0.529 6.006 10.887 602 1HB GLU 74 2HB GLU 74 2.615 6.061 12.594 603 2HB GLU 74 3HB GLU 74 2.881 7.681 11.959 604 1HG GLU 74 2HG GLU 74 0.464 8.206 12.717 605 2HG GLU 74 3HG GLU 74 0.477 6.606 13.488 606 H GLY 75 HN GLY 75 -0.240 8.393 10.844 607 1HA GLY 75 1HA GLY 75 0.274 9.335 8.119 608 2HA GLY 75 2HA GLY 75 -1.072 9.795 9.169 609 H ARG 76 HN ARG 76 -0.581 11.365 10.978 610 HA ARG 76 HA ARG 76 1.305 13.460 10.321 611 1HB ARG 76 2HB ARG 76 -0.572 13.398 8.515 612 2HB ARG 76 3HB ARG 76 -1.713 13.672 9.843 613 1HG ARG 76 2HG ARG 76 -0.453 15.812 10.378 614 2HG ARG 76 3HG ARG 76 0.543 15.499 8.942 615 1HD ARG 76 2HD ARG 76 -1.684 15.355 7.643 616 2HD ARG 76 3HD ARG 76 -2.451 16.039 9.098 617 HE ARG 76 HE ARG 76 -0.300 17.714 8.517 618 1HH1 ARG 76 1HH2 ARG 76 -3.315 16.757 6.985 619 2HH1 ARG 76 2HH2 ARG 76 -3.393 18.093 5.878 620 1HH2 ARG 76 1HH1 ARG 76 -0.328 19.511 7.042 621 2HH2 ARG 76 2HH1 ARG 76 -1.648 19.718 5.938 Start of MODEL 29 1 1H GLY 1 1H GLY 1 -7.205 7.614 12.392 2 2H GLY 1 2H GLY 1 -8.749 7.686 13.035 3 3H GLY 1 3H GLY 1 -8.339 6.466 11.989 4 1HA GLY 1 1HA GLY 1 -9.517 7.874 10.656 5 2HA GLY 1 2HA GLY 1 -8.686 9.283 11.352 6 H GLU 2 HN GLU 2 -8.755 7.666 8.632 7 HA GLU 2 HA GLU 2 -6.983 6.953 7.096 8 1HB GLU 2 2HB GLU 2 -7.695 9.922 7.086 9 2HB GLU 2 3HB GLU 2 -7.098 8.993 5.712 10 1HG GLU 2 2HG GLU 2 -9.388 8.944 5.340 11 2HG GLU 2 3HG GLU 2 -9.090 7.402 6.159 12 H VAL 3 HN VAL 3 -5.025 6.338 8.176 13 HA VAL 3 HA VAL 3 -3.024 8.452 8.679 14 HB VAL 3 HB VAL 3 -2.956 5.437 9.148 15 1HG1 VAL 3 1HG1 VAL 3 -1.063 7.610 10.106 16 2HG1 VAL 3 2HG1 VAL 3 -0.976 5.854 10.426 17 3HG1 VAL 3 3HG1 VAL 3 -0.715 6.462 8.797 18 1HG2 VAL 3 1HG2 VAL 3 -3.479 7.757 11.054 19 2HG2 VAL 3 2HG2 VAL 3 -4.580 6.416 10.663 20 3HG2 VAL 3 3HG2 VAL 3 -3.099 6.098 11.569 21 H VAL 4 HN VAL 4 -1.538 8.862 7.128 22 HA VAL 4 HA VAL 4 -1.543 7.433 4.633 23 HB VAL 4 HB VAL 4 -1.123 9.991 5.240 24 1HG1 VAL 4 1HG1 VAL 4 1.041 9.439 6.359 25 2HG1 VAL 4 2HG1 VAL 4 1.634 8.830 4.792 26 3HG1 VAL 4 3HG1 VAL 4 1.220 10.549 4.978 27 1HG2 VAL 4 1HG2 VAL 4 0.017 8.413 2.914 28 2HG2 VAL 4 2HG2 VAL 4 -1.613 9.120 3.055 29 3HG2 VAL 4 3HG2 VAL 4 -0.192 10.185 2.953 30 H LEU 5 HN LEU 5 0.024 6.111 3.756 31 HA LEU 5 HA LEU 5 2.319 5.308 5.446 32 1HB LEU 5 2HB LEU 5 0.520 3.771 5.912 33 2HB LEU 5 3HB LEU 5 0.133 3.572 4.220 34 HG LEU 5 HG LEU 5 1.342 1.699 5.449 35 1HD1 LEU 5 1HD1 LEU 5 2.686 2.457 2.841 36 2HD1 LEU 5 2HD1 LEU 5 2.325 0.854 3.500 37 3HD1 LEU 5 3HD1 LEU 5 1.017 1.889 2.956 38 1HD2 LEU 5 1HD2 LEU 5 3.258 3.506 6.135 39 2HD2 LEU 5 2HD2 LEU 5 3.461 1.765 6.138 40 3HD2 LEU 5 3HD2 LEU 5 4.026 2.711 4.754 41 H LYS 6 HN LYS 6 4.104 4.804 4.237 42 HA LYS 6 HA LYS 6 3.937 5.223 1.295 43 1HB LYS 6 2HB LYS 6 4.752 7.060 2.937 44 2HB LYS 6 3HB LYS 6 6.230 6.133 3.062 45 1HG LYS 6 2HG LYS 6 5.107 6.858 0.309 46 2HG LYS 6 3HG LYS 6 5.736 8.135 1.345 47 1HD LYS 6 2HD LYS 6 7.791 6.307 1.517 48 2HD LYS 6 3HD LYS 6 7.231 6.001 -0.112 49 1HE LYS 6 2HE LYS 6 7.961 8.744 1.078 50 2HE LYS 6 3HE LYS 6 9.048 7.780 0.085 51 1HZ LYS 6 1HZ LYS 6 6.442 8.686 -0.942 52 2HZ LYS 6 2HZ LYS 6 7.835 9.567 -1.087 53 3HZ LYS 6 3HZ LYS 6 7.740 8.112 -1.781 54 H MET 7 HN MET 7 4.584 3.404 0.235 55 HA MET 7 HA MET 7 6.342 1.444 1.641 56 1HB MET 7 2HB MET 7 5.039 -0.327 0.832 57 2HB MET 7 3HB MET 7 3.951 0.788 1.646 58 1HG MET 7 2HG MET 7 3.311 1.705 -0.603 59 2HG MET 7 3HG MET 7 4.299 0.441 -1.350 60 1HE MET 7 1HE MET 7 0.795 -1.059 -2.236 61 2HE MET 7 2HE MET 7 1.230 0.646 -2.331 62 3HE MET 7 3HE MET 7 2.395 -0.601 -2.852 63 H LYS 8 HN LYS 8 7.630 0.125 0.332 64 HA LYS 8 HA LYS 8 8.488 1.352 -2.242 65 1HB LYS 8 2HB LYS 8 9.899 0.069 0.067 66 2HB LYS 8 3HB LYS 8 10.425 -0.503 -1.510 67 1HG LYS 8 2HG LYS 8 10.351 2.431 -0.694 68 2HG LYS 8 3HG LYS 8 11.776 1.377 -0.706 69 1HD LYS 8 2HD LYS 8 10.659 1.012 -3.260 70 2HD LYS 8 3HD LYS 8 10.417 2.736 -2.961 71 1HE LYS 8 2HE LYS 8 12.861 2.994 -2.558 72 2HE LYS 8 3HE LYS 8 13.068 1.234 -2.720 73 1HZ LYS 8 1HZ LYS 8 12.114 2.975 -4.905 74 2HZ LYS 8 2HZ LYS 8 13.622 2.290 -4.763 75 3HZ LYS 8 3HZ LYS 8 12.306 1.336 -4.921 76 H VAL 9 HN VAL 9 8.293 0.139 -4.067 77 HA VAL 9 HA VAL 9 7.245 -2.633 -3.816 78 HB VAL 9 HB VAL 9 6.146 -0.701 -5.855 79 1HG1 VAL 9 1HG1 VAL 9 5.099 -3.186 -4.404 80 2HG1 VAL 9 2HG1 VAL 9 4.204 -2.271 -5.624 81 3HG1 VAL 9 3HG1 VAL 9 5.688 -3.139 -6.072 82 1HG2 VAL 9 1HG2 VAL 9 5.104 -1.037 -3.022 83 2HG2 VAL 9 2HG2 VAL 9 5.714 0.473 -3.750 84 3HG2 VAL 9 3HG2 VAL 9 4.236 -0.261 -4.366 85 H GLU 10 HN GLU 10 9.692 -2.871 -4.126 86 HA GLU 10 HA GLU 10 10.808 -2.360 -6.695 87 1HB GLU 10 2HB GLU 10 11.585 -4.479 -4.653 88 2HB GLU 10 3HB GLU 10 12.571 -3.898 -6.004 89 1HG GLU 10 2HG GLU 10 11.695 -2.258 -3.587 90 2HG GLU 10 3HG GLU 10 13.316 -2.832 -3.983 91 H GLY 11 HN GLY 11 11.257 -3.813 -8.405 92 1HA GLY 11 1HA GLY 11 11.123 -5.786 -9.637 93 2HA GLY 11 2HA GLY 11 10.086 -6.513 -8.407 94 H MET 12 HN MET 12 8.335 -3.918 -8.608 95 HA MET 12 HA MET 12 6.432 -5.072 -10.370 96 1HB MET 12 2HB MET 12 6.141 -3.645 -8.268 97 2HB MET 12 3HB MET 12 6.403 -2.224 -9.290 98 1HG MET 12 2HG MET 12 4.384 -2.730 -10.542 99 2HG MET 12 3HG MET 12 4.325 -4.373 -9.872 100 1HE MET 12 1HE MET 12 3.598 -0.595 -9.193 101 2HE MET 12 2HE MET 12 3.228 -0.614 -7.452 102 3HE MET 12 3HE MET 12 4.887 -0.926 -8.009 103 H THR 13 HN THR 13 6.065 -4.733 -12.566 104 HA THR 13 HA THR 13 8.181 -3.468 -14.037 105 HB THR 13 HB THR 13 6.652 -4.390 -15.946 106 HG1 THR 13 1HG THR 13 5.102 -5.866 -15.148 107 1HG2 THR 13 1HG2 THR 13 7.683 -6.280 -13.773 108 2HG2 THR 13 2HG2 THR 13 7.350 -6.712 -15.464 109 3HG2 THR 13 3HG2 THR 13 8.658 -5.579 -15.080 110 H CYS 14 HN CYS 14 7.667 -2.147 -15.999 111 HA CYS 14 HA CYS 14 6.694 0.357 -15.244 112 1HB CYS 14 2HB CYS 14 8.319 -0.272 -17.150 113 2HB CYS 14 3HB CYS 14 6.852 -0.562 -18.116 114 HG CYS 14 HG CYS 14 7.654 1.763 -18.778 115 H HIS 15 HN HIS 15 4.930 1.596 -16.122 116 HA HIS 15 HA HIS 15 2.641 1.389 -15.334 117 1HB HIS 15 2HB HIS 15 3.574 2.900 -17.301 118 2HB HIS 15 3HB HIS 15 2.412 1.989 -18.256 119 HD1 HIS 15 1HD HIS 15 0.200 3.399 -18.328 120 HD2 HIS 15 2HD HIS 15 2.351 3.746 -14.726 121 HE1 HIS 15 1HE HIS 15 -1.100 5.025 -16.843 122 H SER 16 HN SER 16 1.891 -0.556 -14.699 123 HA SER 16 HA SER 16 0.088 -2.016 -16.461 124 1HB SER 16 2HB SER 16 2.221 -2.914 -17.249 125 2HB SER 16 3HB SER 16 2.777 -3.191 -15.596 126 HG SER 16 HG SER 16 1.913 -5.091 -16.628 127 H CYS 17 HN CYS 17 2.120 -3.103 -13.722 128 HA CYS 17 HA CYS 17 -0.203 -3.744 -12.086 129 1HB CYS 17 2HB CYS 17 2.799 -3.967 -11.794 130 2HB CYS 17 3HB CYS 17 1.739 -4.155 -10.382 131 HG CYS 17 HG CYS 17 2.409 -6.475 -11.235 132 H THR 18 HN THR 18 -1.010 -1.467 -12.378 133 HA THR 18 HA THR 18 -0.373 -0.081 -9.792 134 HB THR 18 HB THR 18 -0.988 2.079 -10.959 135 HG1 THR 18 1HG THR 18 -0.914 2.065 -13.242 136 1HG2 THR 18 1HG2 THR 18 1.408 0.661 -12.181 137 2HG2 THR 18 2HG2 THR 18 1.189 2.422 -12.047 138 3HG2 THR 18 3HG2 THR 18 1.394 1.433 -10.585 139 H SER 19 HN SER 19 -2.828 0.494 -12.340 140 HA SER 19 HA SER 19 -4.786 0.885 -10.501 141 1HB SER 19 2HB SER 19 -5.322 -0.314 -13.266 142 2HB SER 19 3HB SER 19 -6.388 0.770 -12.340 143 HG SER 19 HG SER 19 -5.252 2.031 -13.805 144 H THR 20 HN THR 20 -4.012 -2.294 -11.767 145 HA THR 20 HA THR 20 -6.081 -3.707 -10.472 146 HB THR 20 HB THR 20 -3.177 -4.330 -11.166 147 HG1 THR 20 1HG THR 20 -4.303 -5.714 -12.624 148 1HG2 THR 20 1HG2 THR 20 -5.168 -6.101 -9.732 149 2HG2 THR 20 2HG2 THR 20 -3.736 -6.725 -10.605 150 3HG2 THR 20 3HG2 THR 20 -3.525 -5.645 -9.216 151 H ILE 21 HN ILE 21 -2.883 -2.722 -9.144 152 HA ILE 21 HA ILE 21 -3.361 -3.765 -6.518 153 HB ILE 21 HB ILE 21 -1.418 -1.798 -7.791 154 1HG1 ILE 21 2HG1 ILE 21 0.142 -3.546 -6.608 155 2HG1 ILE 21 3HG1 ILE 21 -1.276 -4.593 -6.621 156 1HG2 ILE 21 1HG2 ILE 21 -0.246 -1.444 -5.817 157 2HG2 ILE 21 2HG2 ILE 21 -1.877 -0.820 -5.609 158 3HG2 ILE 21 3HG2 ILE 21 -1.426 -2.370 -4.840 159 1HD1 ILE 21 1HD1 ILE 21 0.057 -3.206 -8.972 160 2HD1 ILE 21 2HD1 ILE 21 0.201 -4.930 -8.573 161 3HD1 ILE 21 3HD1 ILE 21 -1.352 -4.282 -9.135 162 H GLU 22 HN GLU 22 -3.773 -0.503 -8.010 163 HA GLU 22 HA GLU 22 -4.506 0.750 -5.628 164 1HB GLU 22 2HB GLU 22 -5.251 1.479 -8.497 165 2HB GLU 22 3HB GLU 22 -5.558 2.490 -7.117 166 1HG GLU 22 2HG GLU 22 -2.992 2.182 -6.613 167 2HG GLU 22 3HG GLU 22 -2.882 1.726 -8.305 168 H GLY 23 HN GLY 23 -6.643 -0.099 -8.250 169 1HA GLY 23 1HA GLY 23 -9.172 0.197 -7.149 170 2HA GLY 23 2HA GLY 23 -8.760 -1.006 -8.385 171 H LYS 24 HN LYS 24 -7.183 -2.881 -7.108 172 HA LYS 24 HA LYS 24 -9.218 -4.282 -5.685 173 1HB LYS 24 2HB LYS 24 -7.500 -5.364 -7.049 174 2HB LYS 24 3HB LYS 24 -6.247 -4.939 -5.866 175 1HG LYS 24 2HG LYS 24 -7.101 -6.412 -4.237 176 2HG LYS 24 3HG LYS 24 -8.720 -6.440 -4.961 177 1HD LYS 24 2HD LYS 24 -7.891 -7.683 -6.902 178 2HD LYS 24 3HD LYS 24 -6.242 -7.670 -6.242 179 1HE LYS 24 2HE LYS 24 -6.945 -9.019 -4.316 180 2HE LYS 24 3HE LYS 24 -8.647 -8.888 -4.785 181 1HZ LYS 24 1HZ LYS 24 -6.574 -10.283 -6.345 182 2HZ LYS 24 2HZ LYS 24 -7.715 -10.996 -5.402 183 3HZ LYS 24 3HZ LYS 24 -8.167 -10.166 -6.745 184 H ILE 25 HN ILE 25 -6.147 -2.729 -4.492 185 HA ILE 25 HA ILE 25 -6.571 -3.278 -1.764 186 HB ILE 25 HB ILE 25 -5.154 -1.095 -3.339 187 1HG1 ILE 25 2HG1 ILE 25 -4.318 -3.486 -3.566 188 2HG1 ILE 25 3HG1 ILE 25 -3.149 -2.248 -3.082 189 1HG2 ILE 25 1HG2 ILE 25 -5.457 0.000 -1.371 190 2HG2 ILE 25 2HG2 ILE 25 -5.167 -1.480 -0.410 191 3HG2 ILE 25 3HG2 ILE 25 -3.825 -0.682 -1.272 192 1HD1 ILE 25 1HD1 ILE 25 -4.654 -4.009 -1.148 193 2HD1 ILE 25 2HD1 ILE 25 -3.048 -4.393 -1.808 194 3HD1 ILE 25 3HD1 ILE 25 -3.271 -2.945 -0.801 195 H GLY 26 HN GLY 26 -7.810 -0.665 -3.821 196 1HA GLY 26 1HA GLY 26 -9.100 0.951 -1.953 197 2HA GLY 26 2HA GLY 26 -9.634 0.644 -3.608 198 H LYS 27 HN LYS 27 -9.921 -2.431 -2.709 199 HA LYS 27 HA LYS 27 -12.698 -2.091 -1.754 200 1HB LYS 27 2HB LYS 27 -12.714 -3.282 -3.701 201 2HB LYS 27 3HB LYS 27 -11.181 -4.091 -3.408 202 1HG LYS 27 2HG LYS 27 -12.129 -5.508 -1.726 203 2HG LYS 27 3HG LYS 27 -13.703 -4.700 -1.880 204 1HD LYS 27 2HD LYS 27 -12.944 -5.458 -4.531 205 2HD LYS 27 3HD LYS 27 -12.475 -6.829 -3.516 206 1HE LYS 27 2HE LYS 27 -14.793 -6.922 -2.584 207 2HE LYS 27 3HE LYS 27 -15.243 -5.518 -3.569 208 1HZ LYS 27 1HZ LYS 27 -14.415 -8.141 -4.621 209 2HZ LYS 27 2HZ LYS 27 -15.945 -7.543 -4.589 210 3HZ LYS 27 3HZ LYS 27 -14.809 -6.826 -5.533 211 H LEU 28 HN LEU 28 -9.407 -3.000 -0.612 212 HA LEU 28 HA LEU 28 -10.299 -4.873 1.219 213 1HB LEU 28 2HB LEU 28 -7.870 -3.114 1.135 214 2HB LEU 28 3HB LEU 28 -8.139 -4.344 2.345 215 HG LEU 28 HG LEU 28 -6.850 -4.699 -0.113 216 1HD1 LEU 28 1HD1 LEU 28 -8.001 -6.593 1.942 217 2HD1 LEU 28 2HD1 LEU 28 -6.746 -7.047 0.766 218 3HD1 LEU 28 3HD1 LEU 28 -6.399 -5.805 1.999 219 1HD2 LEU 28 1HD2 LEU 28 -8.026 -6.551 -1.162 220 2HD2 LEU 28 2HD2 LEU 28 -9.380 -6.373 -0.029 221 3HD2 LEU 28 3HD2 LEU 28 -9.040 -5.111 -1.236 222 H GLN 29 HN GLN 29 -10.944 -4.782 3.180 223 HA GLN 29 HA GLN 29 -12.239 -2.593 4.365 224 1HB GLN 29 2HB GLN 29 -12.517 -4.031 6.294 225 2HB GLN 29 3HB GLN 29 -12.832 -4.859 4.770 226 1HG GLN 29 2HG GLN 29 -10.162 -5.397 5.100 227 2HG GLN 29 3HG GLN 29 -10.688 -5.314 6.777 228 1HE2 GLN 29 2HE2 GLN 29 -9.968 -7.559 4.597 229 2HE2 GLN 29 1HE2 GLN 29 -11.241 -8.731 4.880 230 H GLY 30 HN GLY 30 -11.245 -0.739 4.942 231 1HA GLY 30 1HA GLY 30 -10.061 0.218 6.910 232 2HA GLY 30 2HA GLY 30 -8.707 -0.866 6.562 233 H VAL 31 HN VAL 31 -9.264 -0.354 3.475 234 HA VAL 31 HA VAL 31 -7.400 1.875 3.375 235 HB VAL 31 HB VAL 31 -8.642 -0.100 1.446 236 1HG1 VAL 31 1HG1 VAL 31 -8.580 1.925 0.214 237 2HG1 VAL 31 2HG1 VAL 31 -6.930 2.308 0.780 238 3HG1 VAL 31 3HG1 VAL 31 -7.221 0.924 -0.303 239 1HG2 VAL 31 1HG2 VAL 31 -6.679 -0.706 3.000 240 2HG2 VAL 31 2HG2 VAL 31 -6.411 -0.927 1.273 241 3HG2 VAL 31 3HG2 VAL 31 -5.724 0.491 2.098 242 H GLN 32 HN GLN 32 -7.855 3.900 2.860 243 HA GLN 32 HA GLN 32 -10.649 4.623 2.147 244 1HB GLN 32 2HB GLN 32 -8.728 5.678 4.007 245 2HB GLN 32 3HB GLN 32 -9.363 6.950 2.949 246 1HG GLN 32 2HG GLN 32 -11.098 4.900 4.407 247 2HG GLN 32 3HG GLN 32 -10.672 6.446 5.107 248 1HE2 GLN 32 2HE2 GLN 32 -13.099 4.962 3.299 249 2HE2 GLN 32 1HE2 GLN 32 -13.776 6.420 2.594 250 H ARG 33 HN ARG 33 -7.168 5.291 1.293 251 HA ARG 33 HA ARG 33 -8.059 5.518 -1.473 252 1HB ARG 33 2HB ARG 33 -8.403 7.810 -0.322 253 2HB ARG 33 3HB ARG 33 -6.644 7.940 -0.269 254 1HG ARG 33 2HG ARG 33 -6.502 7.956 -2.676 255 2HG ARG 33 3HG ARG 33 -8.174 7.386 -2.836 256 1HD ARG 33 2HD ARG 33 -8.972 9.544 -1.779 257 2HD ARG 33 3HD ARG 33 -7.302 10.074 -1.680 258 HE ARG 33 HE ARG 33 -7.358 10.682 -3.880 259 1HH1 ARG 33 1HH2 ARG 33 -10.024 8.452 -3.306 260 2HH1 ARG 33 2HH2 ARG 33 -10.720 8.613 -4.888 261 1HH2 ARG 33 1HH1 ARG 33 -8.224 10.903 -6.009 262 2HH2 ARG 33 2HH1 ARG 33 -9.659 10.046 -6.458 263 H ILE 34 HN ILE 34 -6.198 5.752 -2.983 264 HA ILE 34 HA ILE 34 -3.614 4.884 -1.895 265 HB ILE 34 HB ILE 34 -4.882 2.846 -2.295 266 1HG1 ILE 34 2HG1 ILE 34 -2.961 2.963 -4.597 267 2HG1 ILE 34 3HG1 ILE 34 -2.328 3.322 -3.002 268 1HG2 ILE 34 1HG2 ILE 34 -5.680 2.172 -4.525 269 2HG2 ILE 34 2HG2 ILE 34 -6.466 3.666 -4.051 270 3HG2 ILE 34 3HG2 ILE 34 -5.136 3.696 -5.220 271 1HD1 ILE 34 1HD1 ILE 34 -3.809 0.755 -3.606 272 2HD1 ILE 34 2HD1 ILE 34 -2.044 0.944 -3.534 273 3HD1 ILE 34 3HD1 ILE 34 -3.037 1.234 -2.093 274 H LYS 35 HN LYS 35 -1.853 5.483 -3.105 275 HA LYS 35 HA LYS 35 -2.192 6.570 -5.840 276 1HB LYS 35 2HB LYS 35 -0.695 7.941 -3.546 277 2HB LYS 35 3HB LYS 35 -0.573 8.344 -5.254 278 1HG LYS 35 2HG LYS 35 -2.021 9.922 -4.663 279 2HG LYS 35 3HG LYS 35 -3.192 8.673 -5.098 280 1HD LYS 35 2HD LYS 35 -3.577 8.124 -2.760 281 2HD LYS 35 3HD LYS 35 -2.206 9.076 -2.214 282 1HE LYS 35 2HE LYS 35 -4.659 10.241 -3.625 283 2HE LYS 35 3HE LYS 35 -4.514 10.102 -1.865 284 1HZ LYS 35 1HZ LYS 35 -2.691 11.663 -3.575 285 2HZ LYS 35 2HZ LYS 35 -3.878 12.280 -2.622 286 3HZ LYS 35 3HZ LYS 35 -2.595 11.519 -1.939 287 H VAL 36 HN VAL 36 -1.139 4.761 -6.742 288 HA VAL 36 HA VAL 36 1.515 3.926 -5.687 289 HB VAL 36 HB VAL 36 -0.279 2.840 -7.876 290 1HG1 VAL 36 1HG1 VAL 36 2.066 2.397 -8.509 291 2HG1 VAL 36 2HG1 VAL 36 2.418 1.817 -6.870 292 3HG1 VAL 36 3HG1 VAL 36 1.300 0.915 -7.922 293 1HG2 VAL 36 1HG2 VAL 36 -0.608 0.981 -6.382 294 2HG2 VAL 36 2HG2 VAL 36 0.576 1.607 -5.219 295 3HG2 VAL 36 3HG2 VAL 36 -0.959 2.451 -5.462 296 H SER 37 HN SER 37 3.322 5.169 -6.346 297 HA SER 37 HA SER 37 3.326 6.405 -8.997 298 1HB SER 37 2HB SER 37 4.742 6.753 -6.351 299 2HB SER 37 3HB SER 37 5.462 7.239 -7.856 300 HG SER 37 HG SER 37 4.211 8.950 -6.973 301 H LEU 38 HN LEU 38 3.577 4.484 -10.204 302 HA LEU 38 HA LEU 38 5.891 2.783 -9.910 303 1HB LEU 38 2HB LEU 38 3.848 3.316 -12.000 304 2HB LEU 38 3HB LEU 38 5.425 2.965 -12.668 305 HG LEU 38 HG LEU 38 3.797 1.128 -10.865 306 1HD1 LEU 38 1HD1 LEU 38 3.685 -0.233 -12.828 307 2HD1 LEU 38 2HD1 LEU 38 3.215 1.424 -13.264 308 3HD1 LEU 38 3HD1 LEU 38 4.833 0.831 -13.680 309 1HD2 LEU 38 1HD2 LEU 38 5.621 -0.548 -11.343 310 2HD2 LEU 38 2HD2 LEU 38 6.643 0.772 -11.933 311 3HD2 LEU 38 3HD2 LEU 38 6.145 0.698 -10.227 312 H ASP 39 HN ASP 39 7.455 2.969 -12.043 313 HA ASP 39 HA ASP 39 9.436 3.756 -12.638 314 1HB ASP 39 2HB ASP 39 8.270 6.488 -12.048 315 2HB ASP 39 3HB ASP 39 9.874 6.183 -12.656 316 H ASN 40 HN ASN 40 8.330 5.832 -9.938 317 HA ASN 40 HA ASN 40 10.888 5.897 -8.867 318 1HB ASN 40 2HB ASN 40 9.013 7.562 -8.441 319 2HB ASN 40 3HB ASN 40 8.412 6.443 -7.206 320 1HD2 ASN 40 2HD2 ASN 40 9.123 7.253 -5.058 321 2HD2 ASN 40 1HD2 ASN 40 10.696 7.937 -4.873 322 H GLN 41 HN GLN 41 8.442 3.558 -8.703 323 HA GLN 41 HA GLN 41 8.146 1.505 -7.826 324 1HB GLN 41 2HB GLN 41 10.905 1.729 -6.555 325 2HB GLN 41 3HB GLN 41 9.936 0.267 -6.820 326 1HG GLN 41 2HG GLN 41 9.873 0.883 -9.242 327 2HG GLN 41 3HG GLN 41 11.096 2.112 -8.890 328 1HE2 GLN 41 2HE2 GLN 41 13.088 1.378 -7.693 329 2HE2 GLN 41 1HE2 GLN 41 13.452 -0.322 -7.477 330 H GLU 42 HN GLU 42 7.185 3.612 -6.721 331 HA GLU 42 HA GLU 42 7.138 3.000 -3.776 332 1HB GLU 42 2HB GLU 42 8.833 4.834 -4.632 333 2HB GLU 42 3HB GLU 42 7.389 5.864 -4.695 334 1HG GLU 42 2HG GLU 42 6.980 5.381 -2.308 335 2HG GLU 42 3HG GLU 42 8.340 4.240 -2.271 336 H ALA 43 HN ALA 43 5.289 3.451 -2.607 337 HA ALA 43 HA ALA 43 3.005 4.675 -4.109 338 1HB ALA 43 1HB ALA 43 2.875 2.290 -4.564 339 2HB ALA 43 2HB ALA 43 3.071 1.922 -2.850 340 3HB ALA 43 3HB ALA 43 1.596 2.754 -3.412 341 H THR 44 HN THR 44 1.325 5.505 -2.766 342 HA THR 44 HA THR 44 1.981 5.773 0.080 343 HB THR 44 HB THR 44 1.180 7.869 -1.971 344 HG1 THR 44 1HG THR 44 3.152 8.750 -1.429 345 1HG2 THR 44 1HG2 THR 44 1.482 8.017 1.050 346 2HG2 THR 44 2HG2 THR 44 1.291 9.432 -0.018 347 3HG2 THR 44 3HG2 THR 44 -0.018 8.241 0.114 348 H ILE 45 HN ILE 45 0.203 5.004 1.202 349 HA ILE 45 HA ILE 45 -2.452 5.029 -0.114 350 HB ILE 45 HB ILE 45 -1.454 2.848 1.757 351 1HG1 ILE 45 2HG1 ILE 45 -1.336 1.612 -0.629 352 2HG1 ILE 45 3HG1 ILE 45 -0.906 3.212 -1.179 353 1HG2 ILE 45 1HG2 ILE 45 -3.217 1.511 0.626 354 2HG2 ILE 45 2HG2 ILE 45 -3.898 2.910 1.447 355 3HG2 ILE 45 3HG2 ILE 45 -3.677 2.934 -0.316 356 1HD1 ILE 45 1HD1 ILE 45 0.416 1.373 0.815 357 2HD1 ILE 45 2HD1 ILE 45 1.111 2.140 -0.641 358 3HD1 ILE 45 3HD1 ILE 45 0.857 3.087 0.823 359 H VAL 46 HN VAL 46 -4.278 4.988 1.516 360 HA VAL 46 HA VAL 46 -3.489 6.104 4.128 361 HB VAL 46 HB VAL 46 -4.090 7.852 2.394 362 1HG1 VAL 46 1HG1 VAL 46 -6.824 6.981 3.257 363 2HG1 VAL 46 2HG1 VAL 46 -6.423 8.418 2.276 364 3HG1 VAL 46 3HG1 VAL 46 -6.048 6.794 1.653 365 1HG2 VAL 46 1HG2 VAL 46 -5.217 9.186 4.214 366 2HG2 VAL 46 2HG2 VAL 46 -5.306 7.677 5.161 367 3HG2 VAL 46 3HG2 VAL 46 -3.729 8.390 4.744 368 H TYR 47 HN TYR 47 -4.234 4.937 5.737 369 HA TYR 47 HA TYR 47 -6.809 3.606 5.710 370 1HB TYR 47 2HB TYR 47 -5.914 1.313 5.860 371 2HB TYR 47 3HB TYR 47 -5.473 2.044 4.327 372 HD1 TYR 47 1HD TYR 47 -4.146 0.880 7.593 373 HD2 TYR 47 2HD TYR 47 -3.183 2.548 3.737 374 HE1 TYR 47 1HE TYR 47 -1.913 -0.159 7.693 375 HE2 TYR 47 2HE TYR 47 -0.957 1.473 3.847 376 HH TYR 47 HH TYR 47 -0.131 -0.898 6.369 377 H GLN 48 HN GLN 48 -6.800 2.037 7.935 378 HA GLN 48 HA GLN 48 -4.966 3.128 9.883 379 1HB GLN 48 2HB GLN 48 -7.186 3.291 11.289 380 2HB GLN 48 3HB GLN 48 -6.565 4.655 10.311 381 1HG GLN 48 2HG GLN 48 -8.063 4.105 8.524 382 2HG GLN 48 3HG GLN 48 -8.609 2.642 9.384 383 1HE2 GLN 48 2HE2 GLN 48 -10.711 4.048 8.721 384 2HE2 GLN 48 1HE2 GLN 48 -11.254 5.172 9.943 385 HA PRO 49 HA PRO 49 -5.020 -0.990 11.539 386 1HB PRO 49 2HB PRO 49 -4.105 -0.521 14.098 387 2HB PRO 49 3HB PRO 49 -3.084 -0.502 12.665 388 1HG PRO 49 2HG PRO 49 -4.349 1.847 14.081 389 2HG PRO 49 3HG PRO 49 -2.667 1.701 13.492 390 1HD PRO 49 2HD PRO 49 -4.588 3.036 12.103 391 2HD PRO 49 3HD PRO 49 -3.326 2.086 11.263 392 H HIS 50 HN HIS 50 -7.360 -0.765 11.266 393 HA HIS 50 HA HIS 50 -8.610 -1.517 13.846 394 1HB HIS 50 2HB HIS 50 -9.487 0.784 12.135 395 2HB HIS 50 3HB HIS 50 -10.755 -0.372 12.541 396 HD1 HIS 50 1HD HIS 50 -7.962 0.697 14.984 397 HD2 HIS 50 2HD HIS 50 -12.125 0.812 14.386 398 HE1 HIS 50 1HE HIS 50 -8.995 1.577 17.155 399 H LEU 51 HN LEU 51 -9.124 -1.193 10.321 400 HA LEU 51 HA LEU 51 -10.472 -3.829 10.303 401 1HB LEU 51 2HB LEU 51 -10.161 -1.636 8.281 402 2HB LEU 51 3HB LEU 51 -10.961 -3.175 7.930 403 HG LEU 51 HG LEU 51 -11.854 -1.483 10.276 404 1HD1 LEU 51 1HD1 LEU 51 -13.575 -0.481 8.779 405 2HD1 LEU 51 2HD1 LEU 51 -11.937 0.013 8.335 406 3HD1 LEU 51 3HD1 LEU 51 -12.779 -1.228 7.379 407 1HD2 LEU 51 1HD2 LEU 51 -13.323 -3.476 8.492 408 2HD2 LEU 51 2HD2 LEU 51 -12.718 -3.814 10.125 409 3HD2 LEU 51 3HD2 LEU 51 -14.001 -2.621 9.888 410 H ILE 52 HN ILE 52 -7.261 -2.488 9.520 411 HA ILE 52 HA ILE 52 -6.569 -4.980 8.110 412 HB ILE 52 HB ILE 52 -6.754 -2.954 6.696 413 1HG1 ILE 52 2HG1 ILE 52 -4.624 -3.198 5.613 414 2HG1 ILE 52 3HG1 ILE 52 -3.937 -4.113 6.958 415 1HG2 ILE 52 1HG2 ILE 52 -4.344 -2.015 8.254 416 2HG2 ILE 52 2HG2 ILE 52 -5.129 -1.217 6.867 417 3HG2 ILE 52 3HG2 ILE 52 -5.989 -1.362 8.414 418 1HD1 ILE 52 1HD1 ILE 52 -6.488 -4.924 5.508 419 2HD1 ILE 52 2HD1 ILE 52 -4.877 -5.397 4.907 420 3HD1 ILE 52 3HD1 ILE 52 -5.428 -5.937 6.509 421 H SER 53 HN SER 53 -4.656 -6.004 8.756 422 HA SER 53 HA SER 53 -3.843 -5.449 11.436 423 1HB SER 53 2HB SER 53 -2.981 -7.302 9.335 424 2HB SER 53 3HB SER 53 -2.050 -7.260 10.821 425 HG SER 53 HG SER 53 -3.845 -8.796 10.813 426 H VAL 54 HN VAL 54 -3.233 -3.299 9.565 427 HA VAL 54 HA VAL 54 -1.768 -1.647 9.272 428 HB VAL 54 HB VAL 54 -1.010 -2.702 11.790 429 1HG1 VAL 54 1HG1 VAL 54 1.136 -3.510 10.937 430 2HG1 VAL 54 2HG1 VAL 54 1.413 -1.958 10.107 431 3HG1 VAL 54 3HG1 VAL 54 1.389 -2.039 11.881 432 1HG2 VAL 54 1HG2 VAL 54 -0.103 -0.106 10.607 433 2HG2 VAL 54 2HG2 VAL 54 -1.791 -0.396 11.013 434 3HG2 VAL 54 3HG2 VAL 54 -0.538 -0.458 12.284 435 H GLU 55 HN GLU 55 0.044 -4.632 9.505 436 HA GLU 55 HA GLU 55 1.845 -3.950 7.372 437 1HB GLU 55 2HB GLU 55 2.010 -5.497 9.601 438 2HB GLU 55 3HB GLU 55 1.599 -6.713 8.387 439 1HG GLU 55 2HG GLU 55 3.976 -6.621 8.525 440 2HG GLU 55 3HG GLU 55 3.549 -5.777 7.019 441 H GLU 56 HN GLU 56 -1.004 -6.104 7.765 442 HA GLU 56 HA GLU 56 -0.862 -7.801 5.631 443 1HB GLU 56 2HB GLU 56 -3.104 -6.373 7.021 444 2HB GLU 56 3HB GLU 56 -3.476 -7.116 5.467 445 1HG GLU 56 2HG GLU 56 -2.746 -9.273 6.154 446 2HG GLU 56 3HG GLU 56 -2.302 -8.681 7.763 447 H MET 57 HN MET 57 -2.161 -4.472 5.494 448 HA MET 57 HA MET 57 -3.106 -4.260 3.008 449 1HB MET 57 2HB MET 57 -2.505 -2.575 5.135 450 2HB MET 57 3HB MET 57 -1.369 -1.989 3.943 451 1HG MET 57 2HG MET 57 -4.360 -2.428 3.552 452 2HG MET 57 3HG MET 57 -3.585 -0.933 4.005 453 1HE MET 57 1HE MET 57 -1.802 0.302 2.115 454 2HE MET 57 2HE MET 57 -0.920 -1.232 1.907 455 3HE MET 57 3HE MET 57 -1.557 -0.385 0.494 456 H LYS 58 HN LYS 58 0.326 -3.627 3.832 457 HA LYS 58 HA LYS 58 1.101 -3.609 0.999 458 1HB LYS 58 2HB LYS 58 2.270 -2.089 2.419 459 2HB LYS 58 3HB LYS 58 2.624 -3.341 3.615 460 1HG LYS 58 2HG LYS 58 4.627 -2.800 2.306 461 2HG LYS 58 3HG LYS 58 4.133 -4.470 2.133 462 1HD LYS 58 2HD LYS 58 2.876 -3.330 -0.082 463 2HD LYS 58 3HD LYS 58 4.187 -2.199 0.174 464 1HE LYS 58 2HE LYS 58 4.678 -3.885 -1.487 465 2HE LYS 58 3HE LYS 58 5.837 -3.822 -0.146 466 1HZ LYS 58 1HZ LYS 58 3.619 -5.732 -0.089 467 2HZ LYS 58 2HZ LYS 58 4.992 -6.120 -0.910 468 3HZ LYS 58 3HZ LYS 58 5.064 -5.795 0.685 469 H LYS 59 HN LYS 59 1.373 -5.885 3.760 470 HA LYS 59 HA LYS 59 3.206 -7.576 2.419 471 1HB LYS 59 2HB LYS 59 1.160 -8.253 4.542 472 2HB LYS 59 3HB LYS 59 2.423 -9.349 3.978 473 1HG LYS 59 2HG LYS 59 2.863 -6.645 5.261 474 2HG LYS 59 3HG LYS 59 3.084 -8.218 6.040 475 1HD LYS 59 2HD LYS 59 4.790 -8.547 3.970 476 2HD LYS 59 3HD LYS 59 4.825 -6.776 4.008 477 1HE LYS 59 2HE LYS 59 5.362 -6.994 6.542 478 2HE LYS 59 3HE LYS 59 5.506 -8.737 6.254 479 1HZ LYS 59 1HZ LYS 59 7.156 -6.580 5.143 480 2HZ LYS 59 2HZ LYS 59 7.644 -7.835 6.093 481 3HZ LYS 59 3HZ LYS 59 7.173 -8.079 4.519 482 H GLN 60 HN GLN 60 -0.273 -7.254 1.865 483 HA GLN 60 HA GLN 60 -0.550 -9.748 0.497 484 1HB GLN 60 2HB GLN 60 -2.615 -9.152 0.037 485 2HB GLN 60 3HB GLN 60 -2.334 -7.912 1.253 486 1HG GLN 60 2HG GLN 60 -1.756 -6.326 -0.559 487 2HG GLN 60 3HG GLN 60 -2.074 -7.599 -1.763 488 1HE2 GLN 60 2HE2 GLN 60 -4.047 -7.241 -2.752 489 2HE2 GLN 60 1HE2 GLN 60 -5.461 -6.624 -1.903 490 H ILE 61 HN ILE 61 0.689 -6.588 -0.452 491 HA ILE 61 HA ILE 61 1.016 -7.218 -3.217 492 HB ILE 61 HB ILE 61 2.114 -5.057 -1.505 493 1HG1 ILE 61 2HG1 ILE 61 0.839 -3.924 -3.700 494 2HG1 ILE 61 3HG1 ILE 61 -0.129 -5.374 -3.448 495 1HG2 ILE 61 1HG2 ILE 61 2.719 -5.532 -4.463 496 2HG2 ILE 61 2HG2 ILE 61 3.077 -4.039 -3.572 497 3HG2 ILE 61 3HG2 ILE 61 3.920 -5.528 -3.155 498 1HD1 ILE 61 1HD1 ILE 61 0.583 -3.281 -1.351 499 2HD1 ILE 61 2HD1 ILE 61 -0.984 -3.480 -2.157 500 3HD1 ILE 61 3HD1 ILE 61 -0.365 -4.756 -1.075 501 H GLU 62 HN GLU 62 2.948 -7.960 -0.315 502 HA GLU 62 HA GLU 62 5.406 -8.701 -1.763 503 1HB GLU 62 2HB GLU 62 4.411 -9.638 0.969 504 2HB GLU 62 3HB GLU 62 5.877 -10.119 0.139 505 1HG GLU 62 2HG GLU 62 6.349 -7.525 -0.001 506 2HG GLU 62 3HG GLU 62 5.246 -7.508 1.422 507 H ALA 63 HN ALA 63 2.532 -10.332 -0.363 508 HA ALA 63 HA ALA 63 3.117 -12.943 -1.122 509 1HB ALA 63 1HB ALA 63 1.405 -12.266 0.541 510 2HB ALA 63 2HB ALA 63 0.338 -11.750 -0.784 511 3HB ALA 63 3HB ALA 63 0.802 -13.453 -0.632 512 H MET 64 HN MET 64 1.531 -10.419 -3.098 513 HA MET 64 HA MET 64 0.673 -11.964 -5.279 514 1HB MET 64 2HB MET 64 2.107 -9.277 -5.347 515 2HB MET 64 3HB MET 64 1.209 -9.988 -6.683 516 1HG MET 64 2HG MET 64 -0.013 -9.272 -4.016 517 2HG MET 64 3HG MET 64 -0.051 -8.226 -5.414 518 1HE MET 64 1HE MET 64 -2.728 -9.724 -7.647 519 2HE MET 64 2HE MET 64 -1.859 -8.257 -7.145 520 3HE MET 64 3HE MET 64 -0.960 -9.629 -7.842 521 H GLY 65 HN GLY 65 3.998 -11.124 -4.321 522 1HA GLY 65 1HA GLY 65 5.473 -13.068 -5.080 523 2HA GLY 65 2HA GLY 65 5.145 -12.483 -6.721 524 H PHE 66 HN PHE 66 5.078 -9.644 -5.958 525 HA PHE 66 HA PHE 66 7.797 -9.135 -6.570 526 1HB PHE 66 2HB PHE 66 5.593 -7.242 -5.695 527 2HB PHE 66 3HB PHE 66 7.147 -6.748 -6.354 528 HD1 PHE 66 1HD PHE 66 7.850 -7.838 -8.655 529 HD2 PHE 66 2HD PHE 66 3.782 -7.591 -7.239 530 HE1 PHE 66 1HE PHE 66 7.038 -8.206 -10.946 531 HE2 PHE 66 2HE PHE 66 2.966 -7.998 -9.541 532 HZ PHE 66 HZ PHE 66 4.589 -8.284 -11.413 533 HA PRO 67 HA PRO 67 9.022 -9.208 -2.162 534 1HB PRO 67 2HB PRO 67 11.705 -8.765 -2.432 535 2HB PRO 67 3HB PRO 67 10.929 -10.331 -2.812 536 1HG PRO 67 2HG PRO 67 11.691 -8.122 -4.739 537 2HG PRO 67 3HG PRO 67 12.013 -9.871 -4.898 538 1HD PRO 67 2HD PRO 67 9.912 -8.637 -6.119 539 2HD PRO 67 3HD PRO 67 9.768 -10.311 -5.498 540 H ALA 68 HN ALA 68 8.036 -7.361 -1.318 541 HA ALA 68 HA ALA 68 9.286 -4.698 -1.912 542 1HB ALA 68 1HB ALA 68 7.474 -4.994 -3.447 543 2HB ALA 68 2HB ALA 68 6.420 -5.661 -2.204 544 3HB ALA 68 3HB ALA 68 6.876 -3.945 -2.150 545 H PHE 69 HN PHE 69 8.201 -3.001 -0.291 546 HA PHE 69 HA PHE 69 8.124 -4.241 2.392 547 1HB PHE 69 2HB PHE 69 10.517 -3.030 1.169 548 2HB PHE 69 3HB PHE 69 10.031 -2.172 2.613 549 HD1 PHE 69 1HD PHE 69 11.095 -5.486 1.306 550 HD2 PHE 69 2HD PHE 69 10.168 -3.166 4.833 551 HE1 PHE 69 1HE PHE 69 12.188 -7.195 2.723 552 HE2 PHE 69 2HE PHE 69 11.241 -4.894 6.241 553 HZ PHE 69 HZ PHE 69 12.279 -6.898 5.192 554 H VAL 70 HN VAL 70 7.520 -3.022 4.054 555 HA VAL 70 HA VAL 70 6.173 -0.457 3.423 556 HB VAL 70 HB VAL 70 5.070 -2.717 4.607 557 1HG1 VAL 70 1HG1 VAL 70 6.365 -2.320 6.677 558 2HG1 VAL 70 2HG1 VAL 70 5.671 -0.677 6.762 559 3HG1 VAL 70 3HG1 VAL 70 4.619 -2.099 6.910 560 1HG2 VAL 70 1HG2 VAL 70 3.894 -0.863 3.517 561 2HG2 VAL 70 2HG2 VAL 70 3.220 -1.152 5.136 562 3HG2 VAL 70 3HG2 VAL 70 4.331 0.210 4.851 563 H LYS 71 HN LYS 71 6.749 1.275 4.554 564 HA LYS 71 HA LYS 71 9.300 1.229 6.039 565 1HB LYS 71 2HB LYS 71 7.513 3.491 5.169 566 2HB LYS 71 3HB LYS 71 8.968 3.702 6.164 567 1HG LYS 71 2HG LYS 71 10.402 2.719 4.449 568 2HG LYS 71 3HG LYS 71 9.003 2.139 3.560 569 1HD LYS 71 2HD LYS 71 9.509 3.843 2.247 570 2HD LYS 71 3HD LYS 71 8.333 4.629 3.292 571 1HE LYS 71 2HE LYS 71 11.394 4.784 3.559 572 2HE LYS 71 3HE LYS 71 10.397 5.996 2.750 573 1HZ LYS 71 1HZ LYS 71 10.222 5.292 5.600 574 2HZ LYS 71 2HZ LYS 71 10.922 6.644 4.978 575 3HZ LYS 71 3HZ LYS 71 9.299 6.423 4.836 576 H LYS 72 HN LYS 72 6.392 3.142 7.029 577 HA LYS 72 HA LYS 72 5.810 1.416 9.238 578 1HB LYS 72 2HB LYS 72 6.269 2.914 11.056 579 2HB LYS 72 3HB LYS 72 7.786 2.653 10.188 580 1HG LYS 72 2HG LYS 72 7.463 4.861 9.031 581 2HG LYS 72 3HG LYS 72 5.958 5.092 9.942 582 1HD LYS 72 2HD LYS 72 7.244 4.876 12.075 583 2HD LYS 72 3HD LYS 72 8.747 4.911 11.122 584 1HE LYS 72 2HE LYS 72 8.139 7.147 10.231 585 2HE LYS 72 3HE LYS 72 6.552 7.061 11.023 586 1HZ LYS 72 1HZ LYS 72 9.094 7.146 12.480 587 2HZ LYS 72 2HZ LYS 72 8.062 8.409 12.246 588 3HZ LYS 72 3HZ LYS 72 7.563 7.118 13.120 589 H ILE 73 HN ILE 73 3.659 1.910 10.036 590 HA ILE 73 HA ILE 73 2.361 4.349 9.080 591 HB ILE 73 HB ILE 73 1.655 2.813 7.564 592 1HG1 ILE 73 2HG1 ILE 73 -0.006 4.221 8.610 593 2HG1 ILE 73 3HG1 ILE 73 -0.531 2.861 7.598 594 1HG2 ILE 73 1HG2 ILE 73 0.648 0.570 8.209 595 2HG2 ILE 73 2HG2 ILE 73 2.407 0.797 8.154 596 3HG2 ILE 73 3HG2 ILE 73 1.594 0.802 9.712 597 1HD1 ILE 73 1HD1 ILE 73 -0.662 2.883 10.611 598 2HD1 ILE 73 2HD1 ILE 73 -2.001 3.041 9.453 599 3HD1 ILE 73 3HD1 ILE 73 -1.064 1.539 9.509 600 H GLU 74 HN GLU 74 1.612 5.435 10.922 601 HA GLU 74 HA GLU 74 0.217 3.954 12.907 602 1HB GLU 74 2HB GLU 74 1.714 4.965 14.824 603 2HB GLU 74 3HB GLU 74 2.195 3.477 14.018 604 1HG GLU 74 2HG GLU 74 4.156 4.719 14.318 605 2HG GLU 74 3HG GLU 74 3.824 4.772 12.591 606 H GLY 75 HN GLY 75 -0.909 5.291 14.382 607 1HA GLY 75 1HA GLY 75 -1.761 7.806 13.067 608 2HA GLY 75 2HA GLY 75 -2.600 6.902 14.337 609 H ARG 76 HN ARG 76 -0.361 9.405 13.666 610 HA ARG 76 HA ARG 76 0.888 9.836 16.170 611 1HB ARG 76 2HB ARG 76 1.354 11.070 14.005 612 2HB ARG 76 3HB ARG 76 -0.226 11.859 14.197 613 1HG ARG 76 2HG ARG 76 0.650 12.621 16.515 614 2HG ARG 76 3HG ARG 76 2.253 12.136 15.957 615 1HD ARG 76 2HD ARG 76 2.298 13.863 14.328 616 2HD ARG 76 3HD ARG 76 0.519 13.984 14.291 617 HE ARG 76 HE ARG 76 1.383 14.609 16.904 618 1HH1 ARG 76 1HH2 ARG 76 1.471 15.989 13.679 619 2HH1 ARG 76 2HH2 ARG 76 1.228 17.637 14.178 620 1HH2 ARG 76 1HH1 ARG 76 1.005 16.758 17.635 621 2HH2 ARG 76 2HH1 ARG 76 0.975 18.082 16.516 Start of MODEL 30 1 1H GLY 1 1H GLY 1 -8.091 9.631 4.619 2 2H GLY 1 2H GLY 1 -8.627 11.101 4.075 3 3H GLY 1 3H GLY 1 -7.156 10.966 4.834 4 1HA GLY 1 1HA GLY 1 -8.768 11.925 6.310 5 2HA GLY 1 2HA GLY 1 -9.747 10.453 6.112 6 H GLU 2 HN GLU 2 -8.487 8.389 6.469 7 HA GLU 2 HA GLU 2 -7.378 8.158 8.926 8 1HB GLU 2 2HB GLU 2 -6.459 6.126 6.948 9 2HB GLU 2 3HB GLU 2 -7.268 5.931 8.512 10 1HG GLU 2 2HG GLU 2 -8.419 6.467 5.769 11 2HG GLU 2 3HG GLU 2 -8.688 5.070 6.806 12 H VAL 3 HN VAL 3 -5.084 6.417 8.581 13 HA VAL 3 HA VAL 3 -3.079 8.496 8.862 14 HB VAL 3 HB VAL 3 -2.906 5.499 9.339 15 1HG1 VAL 3 1HG1 VAL 3 -0.756 6.721 9.214 16 2HG1 VAL 3 2HG1 VAL 3 -1.377 7.872 10.409 17 3HG1 VAL 3 3HG1 VAL 3 -1.155 6.155 10.853 18 1HG2 VAL 3 1HG2 VAL 3 -3.334 6.048 11.746 19 2HG2 VAL 3 2HG2 VAL 3 -3.792 7.692 11.263 20 3HG2 VAL 3 3HG2 VAL 3 -4.759 6.296 10.739 21 H VAL 4 HN VAL 4 -1.647 8.915 7.278 22 HA VAL 4 HA VAL 4 -1.692 7.508 4.791 23 HB VAL 4 HB VAL 4 -0.088 9.869 5.857 24 1HG1 VAL 4 1HG1 VAL 4 -0.433 8.762 3.058 25 2HG1 VAL 4 2HG1 VAL 4 0.266 10.358 3.435 26 3HG1 VAL 4 3HG1 VAL 4 1.084 8.888 3.990 27 1HG2 VAL 4 1HG2 VAL 4 -1.682 11.211 4.506 28 2HG2 VAL 4 2HG2 VAL 4 -2.571 9.739 4.076 29 3HG2 VAL 4 3HG2 VAL 4 -2.543 10.311 5.758 30 H LEU 5 HN LEU 5 -0.012 6.322 3.872 31 HA LEU 5 HA LEU 5 2.455 5.678 5.446 32 1HB LEU 5 2HB LEU 5 0.819 3.892 5.801 33 2HB LEU 5 3HB LEU 5 0.487 3.791 4.077 34 HG LEU 5 HG LEU 5 3.371 3.522 4.554 35 1HD1 LEU 5 1HD1 LEU 5 3.590 1.680 5.853 36 2HD1 LEU 5 2HD1 LEU 5 2.576 2.813 6.704 37 3HD1 LEU 5 3HD1 LEU 5 1.819 1.405 5.927 38 1HD2 LEU 5 1HD2 LEU 5 3.104 1.526 3.218 39 2HD2 LEU 5 2HD2 LEU 5 1.352 1.492 3.503 40 3HD2 LEU 5 3HD2 LEU 5 2.067 2.775 2.504 41 H LYS 6 HN LYS 6 4.254 5.286 3.986 42 HA LYS 6 HA LYS 6 3.607 5.212 1.111 43 1HB LYS 6 2HB LYS 6 6.033 6.381 2.412 44 2HB LYS 6 3HB LYS 6 6.226 5.476 0.910 45 1HG LYS 6 2HG LYS 6 5.570 7.223 -0.300 46 2HG LYS 6 3HG LYS 6 3.974 7.084 0.371 47 1HD LYS 6 2HD LYS 6 4.388 9.179 0.895 48 2HD LYS 6 3HD LYS 6 4.888 8.404 2.406 49 1HE LYS 6 2HE LYS 6 7.292 8.383 1.500 50 2HE LYS 6 3HE LYS 6 6.726 9.251 0.072 51 1HZ LYS 6 1HZ LYS 6 6.642 10.289 2.826 52 2HZ LYS 6 2HZ LYS 6 7.692 10.736 1.638 53 3HZ LYS 6 3HZ LYS 6 6.093 11.076 1.487 54 H MET 7 HN MET 7 4.390 3.545 -0.093 55 HA MET 7 HA MET 7 5.709 1.251 1.283 56 1HB MET 7 2HB MET 7 4.317 -0.256 -0.003 57 2HB MET 7 3HB MET 7 3.318 0.709 1.079 58 1HG MET 7 2HG MET 7 2.099 1.503 -0.651 59 2HG MET 7 3HG MET 7 3.532 2.124 -1.395 60 1HE MET 7 1HE MET 7 1.330 -1.129 -1.154 61 2HE MET 7 2HE MET 7 0.572 -0.093 -2.402 62 3HE MET 7 3HE MET 7 1.350 -1.600 -2.874 63 H LYS 8 HN LYS 8 6.970 -0.063 -0.207 64 HA LYS 8 HA LYS 8 7.757 1.337 -2.740 65 1HB LYS 8 2HB LYS 8 9.382 0.171 -0.494 66 2HB LYS 8 3HB LYS 8 9.968 -0.120 -2.118 67 1HG LYS 8 2HG LYS 8 9.245 2.638 -1.074 68 2HG LYS 8 3HG LYS 8 10.873 1.987 -0.948 69 1HD LYS 8 2HD LYS 8 9.709 1.849 -3.694 70 2HD LYS 8 3HD LYS 8 9.891 3.489 -3.084 71 1HE LYS 8 2HE LYS 8 11.798 2.718 -4.437 72 2HE LYS 8 3HE LYS 8 12.315 3.143 -2.795 73 1HZ LYS 8 1HZ LYS 8 11.515 0.427 -3.397 74 2HZ LYS 8 2HZ LYS 8 12.927 0.766 -3.972 75 3HZ LYS 8 3HZ LYS 8 12.682 0.892 -2.334 76 H VAL 9 HN VAL 9 7.880 0.060 -4.573 77 HA VAL 9 HA VAL 9 6.845 -2.737 -4.264 78 HB VAL 9 HB VAL 9 6.135 -0.917 -6.583 79 1HG1 VAL 9 1HG1 VAL 9 4.267 -2.495 -6.795 80 2HG1 VAL 9 2HG1 VAL 9 5.775 -3.419 -6.748 81 3HG1 VAL 9 3HG1 VAL 9 4.750 -3.335 -5.309 82 1HG2 VAL 9 1HG2 VAL 9 5.307 0.320 -4.697 83 2HG2 VAL 9 2HG2 VAL 9 3.941 -0.581 -5.369 84 3HG2 VAL 9 3HG2 VAL 9 4.773 -1.183 -3.914 85 H GLU 10 HN GLU 10 9.331 -3.043 -4.213 86 HA GLU 10 HA GLU 10 10.753 -2.755 -6.613 87 1HB GLU 10 2HB GLU 10 11.380 -4.919 -4.648 88 2HB GLU 10 3HB GLU 10 12.455 -4.034 -5.739 89 1HG GLU 10 2HG GLU 10 11.078 -3.037 -3.248 90 2HG GLU 10 3HG GLU 10 12.811 -3.185 -3.560 91 H GLY 11 HN GLY 11 11.568 -4.655 -7.990 92 1HA GLY 11 1HA GLY 11 11.462 -6.697 -9.014 93 2HA GLY 11 2HA GLY 11 10.285 -7.224 -7.808 94 H MET 12 HN MET 12 8.291 -5.156 -8.435 95 HA MET 12 HA MET 12 6.826 -6.368 -10.487 96 1HB MET 12 2HB MET 12 6.641 -3.947 -8.821 97 2HB MET 12 3HB MET 12 6.061 -3.627 -10.440 98 1HG MET 12 2HG MET 12 5.075 -5.841 -8.613 99 2HG MET 12 3HG MET 12 4.235 -4.337 -9.016 100 1HE MET 12 1HE MET 12 1.944 -5.487 -9.863 101 2HE MET 12 2HE MET 12 1.992 -7.031 -10.731 102 3HE MET 12 3HE MET 12 2.705 -6.883 -9.104 103 H THR 13 HN THR 13 6.308 -5.753 -12.616 104 HA THR 13 HA THR 13 8.519 -4.772 -14.214 105 HB THR 13 HB THR 13 7.004 -6.533 -15.008 106 HG1 THR 13 1HG THR 13 6.823 -5.623 -17.086 107 1HG2 THR 13 1HG2 THR 13 4.999 -4.257 -15.188 108 2HG2 THR 13 2HG2 THR 13 4.761 -5.886 -15.855 109 3HG2 THR 13 3HG2 THR 13 4.866 -5.642 -14.100 110 H CYS 14 HN CYS 14 7.663 -3.122 -16.043 111 HA CYS 14 HA CYS 14 7.106 -0.611 -14.506 112 1HB CYS 14 2HB CYS 14 9.378 -0.837 -15.529 113 2HB CYS 14 3HB CYS 14 8.587 -0.811 -17.127 114 HG CYS 14 HG CYS 14 9.572 1.558 -16.552 115 H HIS 15 HN HIS 15 5.730 0.914 -15.360 116 HA HIS 15 HA HIS 15 3.654 1.489 -16.009 117 1HB HIS 15 2HB HIS 15 5.470 2.031 -17.827 118 2HB HIS 15 3HB HIS 15 4.534 0.928 -18.830 119 HD1 HIS 15 1HD HIS 15 3.387 2.697 -20.404 120 HD2 HIS 15 2HD HIS 15 3.334 3.752 -16.330 121 HE1 HIS 15 1HE HIS 15 2.097 4.897 -20.222 122 H SER 16 HN SER 16 3.239 -0.867 -14.980 123 HA SER 16 HA SER 16 1.009 -2.010 -16.522 124 1HB SER 16 2HB SER 16 3.774 -3.059 -16.542 125 2HB SER 16 3HB SER 16 2.579 -4.295 -16.156 126 HG SER 16 HG SER 16 2.493 -2.520 -18.383 127 H CYS 17 HN CYS 17 1.701 -0.927 -13.667 128 HA CYS 17 HA CYS 17 0.326 -3.012 -12.106 129 1HB CYS 17 2HB CYS 17 2.219 -3.427 -10.611 130 2HB CYS 17 3HB CYS 17 2.452 -4.022 -12.263 131 HG CYS 17 HG CYS 17 4.731 -3.237 -11.868 132 H THR 18 HN THR 18 -0.642 -0.586 -12.475 133 HA THR 18 HA THR 18 -0.192 0.715 -9.823 134 HB THR 18 HB THR 18 -1.085 2.815 -11.057 135 HG1 THR 18 1HG THR 18 -0.147 1.747 -13.444 136 1HG2 THR 18 1HG2 THR 18 1.588 1.674 -11.962 137 2HG2 THR 18 2HG2 THR 18 1.094 3.379 -12.119 138 3HG2 THR 18 3HG2 THR 18 1.287 2.654 -10.516 139 H SER 19 HN SER 19 -2.680 1.229 -12.328 140 HA SER 19 HA SER 19 -4.639 1.467 -10.498 141 1HB SER 19 2HB SER 19 -5.187 0.342 -13.283 142 2HB SER 19 3HB SER 19 -6.194 1.474 -12.351 143 HG SER 19 HG SER 19 -4.961 2.623 -13.886 144 H THR 20 HN THR 20 -3.783 -1.622 -11.903 145 HA THR 20 HA THR 20 -5.746 -3.190 -10.699 146 HB THR 20 HB THR 20 -2.732 -3.659 -11.052 147 HG1 THR 20 1HG THR 20 -3.527 -4.734 -12.944 148 1HG2 THR 20 1HG2 THR 20 -5.045 -5.525 -10.477 149 2HG2 THR 20 2HG2 THR 20 -3.430 -6.078 -11.021 150 3HG2 THR 20 3HG2 THR 20 -3.609 -5.235 -9.466 151 H ILE 21 HN ILE 21 -2.607 -2.156 -9.254 152 HA ILE 21 HA ILE 21 -3.097 -3.315 -6.691 153 HB ILE 21 HB ILE 21 -1.162 -1.320 -7.903 154 1HG1 ILE 21 2HG1 ILE 21 0.424 -2.986 -6.725 155 2HG1 ILE 21 3HG1 ILE 21 -0.975 -4.051 -6.568 156 1HG2 ILE 21 1HG2 ILE 21 -0.024 -0.924 -5.934 157 2HG2 ILE 21 2HG2 ILE 21 -1.666 -0.318 -5.732 158 3HG2 ILE 21 3HG2 ILE 21 -1.195 -1.853 -4.945 159 1HD1 ILE 21 1HD1 ILE 21 0.197 -2.841 -9.092 160 2HD1 ILE 21 2HD1 ILE 21 0.393 -4.522 -8.551 161 3HD1 ILE 21 3HD1 ILE 21 -1.200 -3.952 -9.080 162 H GLU 22 HN GLU 22 -3.615 -0.009 -8.064 163 HA GLU 22 HA GLU 22 -4.418 1.144 -5.667 164 1HB GLU 22 2HB GLU 22 -5.280 1.889 -8.500 165 2HB GLU 22 3HB GLU 22 -5.631 2.818 -7.071 166 1HG GLU 22 2HG GLU 22 -3.079 2.757 -6.621 167 2HG GLU 22 3HG GLU 22 -2.911 2.292 -8.309 168 H GLY 23 HN GLY 23 -6.529 0.267 -8.262 169 1HA GLY 23 1HA GLY 23 -9.059 0.400 -7.123 170 2HA GLY 23 2HA GLY 23 -8.623 -0.713 -8.432 171 H LYS 24 HN LYS 24 -6.911 -2.542 -7.224 172 HA LYS 24 HA LYS 24 -8.809 -4.184 -5.883 173 1HB LYS 24 2HB LYS 24 -6.883 -4.906 -7.286 174 2HB LYS 24 3HB LYS 24 -5.781 -4.568 -5.948 175 1HG LYS 24 2HG LYS 24 -8.183 -6.439 -5.672 176 2HG LYS 24 3HG LYS 24 -6.691 -6.966 -6.455 177 1HD LYS 24 2HD LYS 24 -5.396 -6.422 -4.419 178 2HD LYS 24 3HD LYS 24 -6.906 -5.990 -3.580 179 1HE LYS 24 2HE LYS 24 -7.783 -8.292 -3.974 180 2HE LYS 24 3HE LYS 24 -6.302 -8.721 -4.842 181 1HZ LYS 24 1HZ LYS 24 -6.450 -8.017 -1.983 182 2HZ LYS 24 2HZ LYS 24 -6.260 -9.524 -2.607 183 3HZ LYS 24 3HZ LYS 24 -5.082 -8.397 -2.792 184 H ILE 25 HN ILE 25 -5.940 -2.354 -4.607 185 HA ILE 25 HA ILE 25 -6.406 -3.000 -1.858 186 HB ILE 25 HB ILE 25 -4.978 -0.797 -3.398 187 1HG1 ILE 25 2HG1 ILE 25 -3.825 -2.935 -3.450 188 2HG1 ILE 25 3HG1 ILE 25 -2.923 -1.724 -2.529 189 1HG2 ILE 25 1HG2 ILE 25 -5.509 0.495 -1.688 190 2HG2 ILE 25 2HG2 ILE 25 -5.400 -0.811 -0.471 191 3HG2 ILE 25 3HG2 ILE 25 -3.932 -0.122 -1.187 192 1HD1 ILE 25 1HD1 ILE 25 -4.586 -4.018 -1.516 193 2HD1 ILE 25 2HD1 ILE 25 -2.876 -3.695 -1.184 194 3HD1 ILE 25 3HD1 ILE 25 -4.157 -2.677 -0.468 195 H GLY 26 HN GLY 26 -7.784 -0.522 -3.948 196 1HA GLY 26 1HA GLY 26 -9.135 1.035 -2.088 197 2HA GLY 26 2HA GLY 26 -9.696 0.670 -3.726 198 H LYS 27 HN LYS 27 -9.794 -2.437 -2.735 199 HA LYS 27 HA LYS 27 -12.540 -2.175 -1.688 200 1HB LYS 27 2HB LYS 27 -10.906 -4.378 -2.967 201 2HB LYS 27 3HB LYS 27 -12.406 -4.651 -2.107 202 1HG LYS 27 2HG LYS 27 -13.505 -2.915 -3.606 203 2HG LYS 27 3HG LYS 27 -12.016 -2.901 -4.572 204 1HD LYS 27 2HD LYS 27 -12.301 -5.299 -5.072 205 2HD LYS 27 3HD LYS 27 -13.686 -5.389 -3.962 206 1HE LYS 27 2HE LYS 27 -14.907 -3.709 -5.392 207 2HE LYS 27 3HE LYS 27 -13.563 -3.752 -6.544 208 1HZ LYS 27 1HZ LYS 27 -15.274 -6.037 -5.796 209 2HZ LYS 27 2HZ LYS 27 -15.364 -5.183 -7.195 210 3HZ LYS 27 3HZ LYS 27 -14.034 -6.095 -6.879 211 H LEU 28 HN LEU 28 -9.204 -2.785 -0.540 212 HA LEU 28 HA LEU 28 -9.944 -4.711 1.298 213 1HB LEU 28 2HB LEU 28 -7.607 -2.834 1.183 214 2HB LEU 28 3HB LEU 28 -7.794 -4.114 2.357 215 HG LEU 28 HG LEU 28 -6.549 -4.394 -0.079 216 1HD1 LEU 28 1HD1 LEU 28 -6.557 -6.840 0.710 217 2HD1 LEU 28 2HD1 LEU 28 -6.164 -5.673 2.003 218 3HD1 LEU 28 3HD1 LEU 28 -7.798 -6.371 1.881 219 1HD2 LEU 28 1HD2 LEU 28 -9.090 -6.029 -0.137 220 2HD2 LEU 28 2HD2 LEU 28 -8.678 -4.725 -1.277 221 3HD2 LEU 28 3HD2 LEU 28 -7.704 -6.192 -1.228 222 H GLN 29 HN GLN 29 -10.559 -4.707 3.242 223 HA GLN 29 HA GLN 29 -11.953 -2.673 4.541 224 1HB GLN 29 2HB GLN 29 -12.043 -4.181 6.444 225 2HB GLN 29 3HB GLN 29 -12.339 -4.999 4.905 226 1HG GLN 29 2HG GLN 29 -9.765 -5.532 4.979 227 2HG GLN 29 3HG GLN 29 -9.910 -5.124 6.686 228 1HE2 GLN 29 2HE2 GLN 29 -10.185 -6.919 7.961 229 2HE2 GLN 29 1HE2 GLN 29 -11.034 -8.374 7.451 230 H GLY 30 HN GLY 30 -11.024 -0.745 4.975 231 1HA GLY 30 1HA GLY 30 -9.952 0.264 7.022 232 2HA GLY 30 2HA GLY 30 -8.503 -0.679 6.616 233 H VAL 31 HN VAL 31 -9.053 -0.229 3.600 234 HA VAL 31 HA VAL 31 -7.366 2.146 3.631 235 HB VAL 31 HB VAL 31 -8.181 -0.027 1.679 236 1HG1 VAL 31 1HG1 VAL 31 -6.814 1.062 -0.044 237 2HG1 VAL 31 2HG1 VAL 31 -8.299 1.926 0.316 238 3HG1 VAL 31 3HG1 VAL 31 -6.740 2.538 0.946 239 1HG2 VAL 31 1HG2 VAL 31 -5.807 -0.504 1.675 240 2HG2 VAL 31 2HG2 VAL 31 -5.442 0.999 2.540 241 3HG2 VAL 31 3HG2 VAL 31 -6.296 -0.326 3.361 242 H GLN 32 HN GLN 32 -7.867 4.082 2.838 243 HA GLN 32 HA GLN 32 -10.648 4.575 1.815 244 1HB GLN 32 2HB GLN 32 -8.845 6.032 3.561 245 2HB GLN 32 3HB GLN 32 -9.884 7.004 2.516 246 1HG GLN 32 2HG GLN 32 -11.381 4.820 3.838 247 2HG GLN 32 3HG GLN 32 -10.525 5.783 5.010 248 1HE2 GLN 32 2HE2 GLN 32 -11.373 7.825 5.559 249 2HE2 GLN 32 1HE2 GLN 32 -12.730 8.553 4.696 250 H ARG 33 HN ARG 33 -7.156 5.357 1.232 251 HA ARG 33 HA ARG 33 -7.849 5.775 -1.599 252 1HB ARG 33 2HB ARG 33 -7.717 8.019 0.044 253 2HB ARG 33 3HB ARG 33 -6.028 7.826 -0.400 254 1HG ARG 33 2HG ARG 33 -6.604 9.116 -2.150 255 2HG ARG 33 3HG ARG 33 -7.149 7.606 -2.882 256 1HD ARG 33 2HD ARG 33 -8.816 9.693 -1.396 257 2HD ARG 33 3HD ARG 33 -8.872 9.294 -3.129 258 HE ARG 33 HE ARG 33 -9.458 7.034 -1.341 259 1HH1 ARG 33 1HH2 ARG 33 -10.985 9.864 -2.788 260 2HH1 ARG 33 2HH2 ARG 33 -12.566 9.149 -2.836 261 1HH2 ARG 33 1HH1 ARG 33 -11.390 6.135 -1.289 262 2HH2 ARG 33 2HH1 ARG 33 -12.818 6.866 -2.007 263 H ILE 34 HN ILE 34 -5.952 5.793 -2.979 264 HA ILE 34 HA ILE 34 -3.399 5.073 -1.851 265 HB ILE 34 HB ILE 34 -4.326 2.883 -2.026 266 1HG1 ILE 34 2HG1 ILE 34 -2.688 3.239 -4.539 267 2HG1 ILE 34 3HG1 ILE 34 -1.977 3.464 -2.954 268 1HG2 ILE 34 1HG2 ILE 34 -6.229 3.405 -3.640 269 2HG2 ILE 34 2HG2 ILE 34 -5.060 3.317 -4.964 270 3HG2 ILE 34 3HG2 ILE 34 -5.382 1.911 -3.945 271 1HD1 ILE 34 1HD1 ILE 34 -3.240 0.858 -3.891 272 2HD1 ILE 34 2HD1 ILE 34 -1.512 1.223 -3.776 273 3HD1 ILE 34 3HD1 ILE 34 -2.504 1.157 -2.316 274 H LYS 35 HN LYS 35 -1.740 5.688 -3.206 275 HA LYS 35 HA LYS 35 -2.287 6.748 -5.939 276 1HB LYS 35 2HB LYS 35 -1.379 8.236 -3.515 277 2HB LYS 35 3HB LYS 35 -0.205 8.300 -4.818 278 1HG LYS 35 2HG LYS 35 -1.522 10.203 -5.000 279 2HG LYS 35 3HG LYS 35 -1.875 9.159 -6.386 280 1HD LYS 35 2HD LYS 35 -3.983 8.480 -5.439 281 2HD LYS 35 3HD LYS 35 -3.596 9.219 -3.866 282 1HE LYS 35 2HE LYS 35 -3.589 11.474 -4.920 283 2HE LYS 35 3HE LYS 35 -3.901 10.743 -6.507 284 1HZ LYS 35 1HZ LYS 35 -5.717 10.661 -4.196 285 2HZ LYS 35 2HZ LYS 35 -5.895 11.592 -5.542 286 3HZ LYS 35 3HZ LYS 35 -5.998 9.952 -5.660 287 H VAL 36 HN VAL 36 -1.110 5.168 -7.091 288 HA VAL 36 HA VAL 36 1.582 4.349 -6.043 289 HB VAL 36 HB VAL 36 -0.093 3.149 -8.264 290 1HG1 VAL 36 1HG1 VAL 36 2.368 2.761 -8.539 291 2HG1 VAL 36 2HG1 VAL 36 2.457 2.182 -6.873 292 3HG1 VAL 36 3HG1 VAL 36 1.526 1.268 -8.083 293 1HG2 VAL 36 1HG2 VAL 36 0.473 1.895 -5.552 294 2HG2 VAL 36 2HG2 VAL 36 -0.993 2.822 -5.881 295 3HG2 VAL 36 3HG2 VAL 36 -0.643 1.369 -6.828 296 H SER 37 HN SER 37 3.327 5.379 -6.846 297 HA SER 37 HA SER 37 3.155 6.508 -9.625 298 1HB SER 37 2HB SER 37 3.584 8.207 -7.926 299 2HB SER 37 3HB SER 37 4.995 7.283 -7.364 300 HG SER 37 HG SER 37 5.305 9.015 -9.062 301 H LEU 38 HN LEU 38 3.522 4.504 -10.593 302 HA LEU 38 HA LEU 38 5.453 2.597 -9.853 303 1HB LEU 38 2HB LEU 38 3.596 2.717 -11.811 304 2HB LEU 38 3HB LEU 38 5.001 3.138 -12.779 305 HG LEU 38 HG LEU 38 4.583 0.609 -11.101 306 1HD1 LEU 38 1HD1 LEU 38 4.751 -0.296 -13.552 307 2HD1 LEU 38 2HD1 LEU 38 3.242 0.474 -13.011 308 3HD1 LEU 38 3HD1 LEU 38 4.391 1.393 -13.980 309 1HD2 LEU 38 1HD2 LEU 38 6.976 1.122 -11.077 310 2HD2 LEU 38 2HD2 LEU 38 6.668 -0.205 -12.179 311 3HD2 LEU 38 3HD2 LEU 38 6.964 1.423 -12.834 312 H ASP 39 HN ASP 39 5.706 5.462 -12.048 313 HA ASP 39 HA ASP 39 8.306 5.609 -12.779 314 1HB ASP 39 2HB ASP 39 6.786 7.887 -11.425 315 2HB ASP 39 3HB ASP 39 8.061 8.013 -12.617 316 H ASN 40 HN ASN 40 6.975 6.748 -9.631 317 HA ASN 40 HA ASN 40 9.571 7.444 -8.759 318 1HB ASN 40 2HB ASN 40 7.226 8.382 -7.995 319 2HB ASN 40 3HB ASN 40 7.352 7.155 -6.743 320 1HD2 ASN 40 2HD2 ASN 40 9.983 7.227 -5.941 321 2HD2 ASN 40 1HD2 ASN 40 10.389 8.859 -5.410 322 H GLN 41 HN GLN 41 7.758 4.554 -8.753 323 HA GLN 41 HA GLN 41 8.052 2.445 -8.116 324 1HB GLN 41 2HB GLN 41 10.684 3.179 -6.775 325 2HB GLN 41 3HB GLN 41 10.130 1.583 -7.311 326 1HG GLN 41 2HG GLN 41 9.930 2.505 -9.623 327 2HG GLN 41 3HG GLN 41 10.674 3.996 -9.052 328 1HE2 GLN 41 2HE2 GLN 41 12.855 3.696 -7.867 329 2HE2 GLN 41 1HE2 GLN 41 13.953 2.529 -8.596 330 H GLU 42 HN GLU 42 7.323 4.856 -6.350 331 HA GLU 42 HA GLU 42 6.905 3.418 -3.781 332 1HB GLU 42 2HB GLU 42 8.283 5.781 -4.053 333 2HB GLU 42 3HB GLU 42 6.656 6.412 -3.841 334 1HG GLU 42 2HG GLU 42 6.355 5.126 -1.763 335 2HG GLU 42 3HG GLU 42 7.934 4.363 -1.974 336 H ALA 43 HN ALA 43 4.862 3.656 -2.768 337 HA ALA 43 HA ALA 43 2.796 5.154 -4.270 338 1HB ALA 43 1HB ALA 43 1.094 3.554 -4.004 339 2HB ALA 43 2HB ALA 43 2.486 2.570 -4.526 340 3HB ALA 43 3HB ALA 43 1.973 2.645 -2.825 341 H THR 44 HN THR 44 1.042 5.901 -2.779 342 HA THR 44 HA THR 44 1.862 6.119 0.033 343 HB THR 44 HB THR 44 0.551 8.127 -1.850 344 HG1 THR 44 1HG THR 44 2.421 9.262 -1.561 345 1HG2 THR 44 1HG2 THR 44 1.142 8.269 1.128 346 2HG2 THR 44 2HG2 THR 44 0.624 9.651 0.127 347 3HG2 THR 44 3HG2 THR 44 -0.462 8.266 0.354 348 H ILE 45 HN ILE 45 0.218 5.210 1.356 349 HA ILE 45 HA ILE 45 -2.446 4.825 0.086 350 HB ILE 45 HB ILE 45 -1.209 2.944 2.057 351 1HG1 ILE 45 2HG1 ILE 45 -1.509 2.566 -0.928 352 2HG1 ILE 45 3HG1 ILE 45 0.033 3.095 -0.244 353 1HG2 ILE 45 1HG2 ILE 45 -3.699 2.957 0.266 354 2HG2 ILE 45 2HG2 ILE 45 -3.131 1.498 1.019 355 3HG2 ILE 45 3HG2 ILE 45 -3.664 2.810 2.031 356 1HD1 ILE 45 1HD1 ILE 45 -1.343 0.566 0.500 357 2HD1 ILE 45 2HD1 ILE 45 0.085 0.754 -0.485 358 3HD1 ILE 45 3HD1 ILE 45 0.144 1.228 1.232 359 H VAL 46 HN VAL 46 -4.247 4.741 1.835 360 HA VAL 46 HA VAL 46 -3.507 6.072 4.339 361 HB VAL 46 HB VAL 46 -4.086 7.793 2.699 362 1HG1 VAL 46 1HG1 VAL 46 -6.365 8.235 2.205 363 2HG1 VAL 46 2HG1 VAL 46 -5.789 6.646 1.633 364 3HG1 VAL 46 3HG1 VAL 46 -6.842 6.750 3.074 365 1HG2 VAL 46 1HG2 VAL 46 -4.159 8.141 5.173 366 2HG2 VAL 46 2HG2 VAL 46 -5.405 9.082 4.338 367 3HG2 VAL 46 3HG2 VAL 46 -5.846 7.575 5.174 368 H TYR 47 HN TYR 47 -4.207 4.909 6.012 369 HA TYR 47 HA TYR 47 -6.780 3.608 6.030 370 1HB TYR 47 2HB TYR 47 -5.968 1.313 6.217 371 2HB TYR 47 3HB TYR 47 -5.453 1.990 4.685 372 HD1 TYR 47 1HD TYR 47 -3.100 2.430 4.188 373 HD2 TYR 47 2HD TYR 47 -4.310 0.832 8.002 374 HE1 TYR 47 1HE TYR 47 -0.854 1.441 4.488 375 HE2 TYR 47 2HE TYR 47 -2.059 -0.112 8.319 376 HH TYR 47 HH TYR 47 0.346 -0.203 5.746 377 H GLN 48 HN GLN 48 -6.737 2.079 8.236 378 HA GLN 48 HA GLN 48 -5.031 3.351 10.281 379 1HB GLN 48 2HB GLN 48 -7.254 3.060 11.656 380 2HB GLN 48 3HB GLN 48 -6.976 4.552 10.724 381 1HG GLN 48 2HG GLN 48 -8.390 3.798 8.983 382 2HG GLN 48 3HG GLN 48 -8.391 2.140 9.623 383 1HE2 GLN 48 2HE2 GLN 48 -10.183 5.183 9.672 384 2HE2 GLN 48 1HE2 GLN 48 -11.213 4.715 11.006 385 HA PRO 49 HA PRO 49 -4.270 -0.689 11.674 386 1HB PRO 49 2HB PRO 49 -3.240 -0.260 14.131 387 2HB PRO 49 3HB PRO 49 -2.486 0.483 12.696 388 1HG PRO 49 2HG PRO 49 -4.468 1.808 14.566 389 2HG PRO 49 3HG PRO 49 -2.858 2.406 14.068 390 1HD PRO 49 2HD PRO 49 -5.141 3.170 12.784 391 2HD PRO 49 3HD PRO 49 -3.602 2.915 11.921 392 H HIS 50 HN HIS 50 -6.766 -0.802 11.508 393 HA HIS 50 HA HIS 50 -7.729 -2.028 14.026 394 1HB HIS 50 2HB HIS 50 -8.827 0.510 12.913 395 2HB HIS 50 3HB HIS 50 -10.035 -0.754 13.131 396 HD1 HIS 50 1HD HIS 50 -7.108 0.064 15.522 397 HD2 HIS 50 2HD HIS 50 -11.295 -0.270 15.306 398 HE1 HIS 50 1HE HIS 50 -7.999 0.368 17.909 399 H LEU 51 HN LEU 51 -8.673 -1.181 10.641 400 HA LEU 51 HA LEU 51 -10.175 -3.689 10.456 401 1HB LEU 51 2HB LEU 51 -9.560 -1.539 8.422 402 2HB LEU 51 3HB LEU 51 -10.584 -2.957 8.169 403 HG LEU 51 HG LEU 51 -11.937 -2.067 10.238 404 1HD1 LEU 51 1HD1 LEU 51 -12.049 0.428 10.289 405 2HD1 LEU 51 2HD1 LEU 51 -10.492 -0.148 10.871 406 3HD1 LEU 51 3HD1 LEU 51 -10.630 0.516 9.234 407 1HD2 LEU 51 1HD2 LEU 51 -13.394 -0.809 8.718 408 2HD2 LEU 51 2HD2 LEU 51 -12.092 -0.709 7.519 409 3HD2 LEU 51 3HD2 LEU 51 -12.801 -2.283 7.940 410 H ILE 52 HN ILE 52 -6.903 -2.454 9.596 411 HA ILE 52 HA ILE 52 -6.336 -5.029 8.272 412 HB ILE 52 HB ILE 52 -6.496 -3.001 6.849 413 1HG1 ILE 52 2HG1 ILE 52 -4.430 -3.417 5.633 414 2HG1 ILE 52 3HG1 ILE 52 -3.729 -4.310 6.986 415 1HG2 ILE 52 1HG2 ILE 52 -5.551 -1.434 8.476 416 2HG2 ILE 52 2HG2 ILE 52 -3.958 -2.204 8.274 417 3HG2 ILE 52 3HG2 ILE 52 -4.739 -1.390 6.894 418 1HD1 ILE 52 1HD1 ILE 52 -6.371 -5.076 5.680 419 2HD1 ILE 52 2HD1 ILE 52 -4.805 -5.655 5.056 420 3HD1 ILE 52 3HD1 ILE 52 -5.313 -6.072 6.703 421 H SER 53 HN SER 53 -4.412 -6.098 8.884 422 HA SER 53 HA SER 53 -3.585 -5.448 11.577 423 1HB SER 53 2HB SER 53 -2.561 -7.535 9.782 424 2HB SER 53 3HB SER 53 -2.340 -7.469 11.538 425 HG SER 53 HG SER 53 -4.716 -7.914 10.063 426 H VAL 54 HN VAL 54 -2.873 -3.555 9.678 427 HA VAL 54 HA VAL 54 -1.307 -1.947 9.428 428 HB VAL 54 HB VAL 54 -0.477 -3.316 11.815 429 1HG1 VAL 54 1HG1 VAL 54 1.619 -4.023 10.821 430 2HG1 VAL 54 2HG1 VAL 54 1.860 -2.416 10.084 431 3HG1 VAL 54 3HG1 VAL 54 1.929 -2.625 11.846 432 1HG2 VAL 54 1HG2 VAL 54 -1.324 -1.007 11.510 433 2HG2 VAL 54 2HG2 VAL 54 0.139 -1.127 12.513 434 3HG2 VAL 54 3HG2 VAL 54 0.263 -0.592 10.828 435 H GLU 55 HN GLU 55 0.326 -5.070 9.468 436 HA GLU 55 HA GLU 55 1.995 -4.342 7.223 437 1HB GLU 55 2HB GLU 55 2.107 -6.149 9.432 438 2HB GLU 55 3HB GLU 55 1.986 -7.147 8.002 439 1HG GLU 55 2HG GLU 55 3.879 -5.655 6.998 440 2HG GLU 55 3HG GLU 55 4.014 -4.914 8.597 441 H GLU 56 HN GLU 56 -0.886 -6.411 7.836 442 HA GLU 56 HA GLU 56 -0.922 -8.147 5.720 443 1HB GLU 56 2HB GLU 56 -3.026 -6.547 7.145 444 2HB GLU 56 3HB GLU 56 -3.491 -7.412 5.677 445 1HG GLU 56 2HG GLU 56 -2.817 -9.523 6.528 446 2HG GLU 56 3HG GLU 56 -2.211 -8.809 8.027 447 H MET 57 HN MET 57 -1.985 -4.794 5.643 448 HA MET 57 HA MET 57 -2.893 -4.344 3.138 449 1HB MET 57 2HB MET 57 -1.941 -2.838 5.326 450 2HB MET 57 3HB MET 57 -0.910 -2.280 4.021 451 1HG MET 57 2HG MET 57 -3.909 -2.444 3.611 452 2HG MET 57 3HG MET 57 -3.251 -1.178 4.630 453 1HE MET 57 1HE MET 57 -2.730 -2.820 1.201 454 2HE MET 57 2HE MET 57 -2.190 -1.469 0.180 455 3HE MET 57 3HE MET 57 -1.083 -2.142 1.383 456 H LYS 58 HN LYS 58 0.629 -4.209 3.915 457 HA LYS 58 HA LYS 58 1.242 -4.206 1.030 458 1HB LYS 58 2HB LYS 58 2.519 -3.232 3.358 459 2HB LYS 58 3HB LYS 58 3.531 -4.583 2.852 460 1HG LYS 58 2HG LYS 58 2.614 -2.250 1.136 461 2HG LYS 58 3HG LYS 58 4.238 -2.418 1.816 462 1HD LYS 58 2HD LYS 58 4.769 -4.339 0.480 463 2HD LYS 58 3HD LYS 58 3.107 -4.497 -0.075 464 1HE LYS 58 2HE LYS 58 3.437 -2.008 -0.876 465 2HE LYS 58 3HE LYS 58 5.141 -2.450 -0.907 466 1HZ LYS 58 1HZ LYS 58 2.858 -3.641 -2.358 467 2HZ LYS 58 2HZ LYS 58 4.137 -2.830 -3.001 468 3HZ LYS 58 3HZ LYS 58 4.345 -4.329 -2.358 469 H LYS 59 HN LYS 59 1.464 -6.411 3.818 470 HA LYS 59 HA LYS 59 3.076 -8.288 2.485 471 1HB LYS 59 2HB LYS 59 1.072 -8.726 4.726 472 2HB LYS 59 3HB LYS 59 2.268 -9.907 4.187 473 1HG LYS 59 2HG LYS 59 2.847 -7.204 5.477 474 2HG LYS 59 3HG LYS 59 3.131 -8.810 6.138 475 1HD LYS 59 2HD LYS 59 4.677 -9.139 4.036 476 2HD LYS 59 3HD LYS 59 4.582 -7.368 3.877 477 1HE LYS 59 2HE LYS 59 5.598 -7.000 5.981 478 2HE LYS 59 3HE LYS 59 5.457 -8.706 6.475 479 1HZ LYS 59 1HZ LYS 59 7.007 -7.878 4.136 480 2HZ LYS 59 2HZ LYS 59 7.671 -7.947 5.668 481 3HZ LYS 59 3HZ LYS 59 7.065 -9.293 4.917 482 H GLN 60 HN GLN 60 -0.297 -7.592 1.926 483 HA GLN 60 HA GLN 60 -0.947 -10.104 0.709 484 1HB GLN 60 2HB GLN 60 -2.906 -9.197 0.153 485 2HB GLN 60 3HB GLN 60 -2.479 -8.069 1.434 486 1HG GLN 60 2HG GLN 60 -1.559 -6.540 -0.291 487 2HG GLN 60 3HG GLN 60 -2.057 -7.685 -1.561 488 1HE2 GLN 60 2HE2 GLN 60 -3.639 -6.631 -2.641 489 2HE2 GLN 60 1HE2 GLN 60 -5.035 -5.911 -1.849 490 H ILE 61 HN ILE 61 0.670 -7.155 -0.355 491 HA ILE 61 HA ILE 61 0.694 -7.859 -3.135 492 HB ILE 61 HB ILE 61 2.266 -5.863 -1.609 493 1HG1 ILE 61 2HG1 ILE 61 0.909 -4.551 -3.668 494 2HG1 ILE 61 3HG1 ILE 61 -0.209 -5.859 -3.291 495 1HG2 ILE 61 1HG2 ILE 61 3.780 -6.587 -3.407 496 2HG2 ILE 61 2HG2 ILE 61 2.429 -6.713 -4.553 497 3HG2 ILE 61 3HG2 ILE 61 3.011 -5.134 -4.043 498 1HD1 ILE 61 1HD1 ILE 61 0.949 -3.797 -1.375 499 2HD1 ILE 61 2HD1 ILE 61 -0.735 -3.959 -1.913 500 3HD1 ILE 61 3HD1 ILE 61 0.000 -5.207 -0.879 501 H GLU 62 HN GLU 62 2.999 -8.141 -0.406 502 HA GLU 62 HA GLU 62 5.211 -9.271 -1.831 503 1HB GLU 62 2HB GLU 62 4.321 -9.352 1.051 504 2HB GLU 62 3HB GLU 62 5.746 -10.235 0.502 505 1HG GLU 62 2HG GLU 62 6.945 -8.375 -0.042 506 2HG GLU 62 3HG GLU 62 5.511 -7.376 -0.394 507 H ALA 63 HN ALA 63 2.409 -10.723 -0.158 508 HA ALA 63 HA ALA 63 2.917 -13.426 -0.693 509 1HB ALA 63 1HB ALA 63 0.286 -11.962 -0.331 510 2HB ALA 63 2HB ALA 63 0.522 -13.718 -0.177 511 3HB ALA 63 3HB ALA 63 1.322 -12.600 0.954 512 H MET 64 HN MET 64 1.795 -10.978 -3.045 513 HA MET 64 HA MET 64 0.710 -12.926 -4.919 514 1HB MET 64 2HB MET 64 1.952 -10.237 -5.516 515 2HB MET 64 3HB MET 64 0.921 -11.200 -6.561 516 1HG MET 64 2HG MET 64 0.026 -9.910 -3.976 517 2HG MET 64 3HG MET 64 -0.169 -9.245 -5.583 518 1HE MET 64 1HE MET 64 -2.876 -12.450 -3.720 519 2HE MET 64 2HE MET 64 -1.182 -12.896 -3.928 520 3HE MET 64 3HE MET 64 -1.617 -11.542 -2.860 521 H GLY 65 HN GLY 65 3.916 -11.872 -3.921 522 1HA GLY 65 1HA GLY 65 5.584 -13.680 -4.520 523 2HA GLY 65 2HA GLY 65 5.215 -13.295 -6.212 524 H PHE 66 HN PHE 66 4.868 -10.500 -5.946 525 HA PHE 66 HA PHE 66 7.475 -9.682 -6.530 526 1HB PHE 66 2HB PHE 66 5.029 -8.033 -5.836 527 2HB PHE 66 3HB PHE 66 6.512 -7.390 -6.535 528 HD1 PHE 66 1HD PHE 66 3.338 -8.950 -7.319 529 HD2 PHE 66 2HD PHE 66 7.385 -8.433 -8.728 530 HE1 PHE 66 1HE PHE 66 2.619 -9.491 -9.633 531 HE2 PHE 66 2HE PHE 66 6.695 -9.144 -10.980 532 HZ PHE 66 HZ PHE 66 4.308 -9.701 -11.445 533 HA PRO 67 HA PRO 67 8.582 -9.214 -2.127 534 1HB PRO 67 2HB PRO 67 11.271 -8.797 -2.346 535 2HB PRO 67 3HB PRO 67 10.504 -10.386 -2.629 536 1HG PRO 67 2HG PRO 67 11.299 -8.323 -4.709 537 2HG PRO 67 3HG PRO 67 11.678 -10.069 -4.707 538 1HD PRO 67 2HD PRO 67 9.574 -9.022 -6.092 539 2HD PRO 67 3HD PRO 67 9.469 -10.632 -5.320 540 H ALA 68 HN ALA 68 7.456 -7.345 -1.653 541 HA ALA 68 HA ALA 68 8.581 -4.725 -2.526 542 1HB ALA 68 1HB ALA 68 6.293 -5.487 -3.242 543 2HB ALA 68 2HB ALA 68 5.822 -5.470 -1.525 544 3HB ALA 68 3HB ALA 68 6.348 -3.970 -2.336 545 H PHE 69 HN PHE 69 7.176 -3.177 -0.524 546 HA PHE 69 HA PHE 69 7.907 -4.189 2.042 547 1HB PHE 69 2HB PHE 69 10.108 -3.289 0.684 548 2HB PHE 69 3HB PHE 69 9.540 -1.755 1.305 549 HD1 PHE 69 1HD PHE 69 9.676 -1.299 3.758 550 HD2 PHE 69 2HD PHE 69 10.830 -5.124 2.127 551 HE1 PHE 69 1HE PHE 69 10.692 -1.919 5.923 552 HE2 PHE 69 2HE PHE 69 11.970 -5.682 4.258 553 HZ PHE 69 HZ PHE 69 11.891 -4.088 6.167 554 H VAL 70 HN VAL 70 7.287 -2.945 3.767 555 HA VAL 70 HA VAL 70 5.603 -0.564 3.194 556 HB VAL 70 HB VAL 70 4.643 -2.923 4.148 557 1HG1 VAL 70 1HG1 VAL 70 5.899 -2.702 6.258 558 2HG1 VAL 70 2HG1 VAL 70 5.087 -1.134 6.534 559 3HG1 VAL 70 3HG1 VAL 70 4.139 -2.636 6.498 560 1HG2 VAL 70 1HG2 VAL 70 2.699 -1.510 4.905 561 2HG2 VAL 70 2HG2 VAL 70 3.747 -0.094 4.772 562 3HG2 VAL 70 3HG2 VAL 70 3.301 -0.980 3.321 563 H LYS 71 HN LYS 71 6.107 1.207 4.224 564 HA LYS 71 HA LYS 71 8.452 1.316 6.001 565 1HB LYS 71 2HB LYS 71 6.560 3.445 4.975 566 2HB LYS 71 3HB LYS 71 7.901 3.771 6.088 567 1HG LYS 71 2HG LYS 71 9.545 3.008 4.571 568 2HG LYS 71 3HG LYS 71 8.362 2.305 3.461 569 1HD LYS 71 2HD LYS 71 7.825 4.265 2.483 570 2HD LYS 71 3HD LYS 71 7.970 5.206 3.981 571 1HE LYS 71 2HE LYS 71 10.398 5.228 3.836 572 2HE LYS 71 3HE LYS 71 10.385 4.109 2.457 573 1HZ LYS 71 1HZ LYS 71 9.255 6.830 2.388 574 2HZ LYS 71 2HZ LYS 71 10.714 6.391 1.769 575 3HZ LYS 71 3HZ LYS 71 9.340 5.797 1.130 576 H LYS 72 HN LYS 72 5.692 3.330 6.930 577 HA LYS 72 HA LYS 72 4.919 1.637 9.147 578 1HB LYS 72 2HB LYS 72 5.702 3.095 10.912 579 2HB LYS 72 3HB LYS 72 7.096 2.600 9.943 580 1HG LYS 72 2HG LYS 72 6.861 4.822 8.668 581 2HG LYS 72 3HG LYS 72 5.616 5.264 9.859 582 1HD LYS 72 2HD LYS 72 7.235 4.874 11.679 583 2HD LYS 72 3HD LYS 72 8.523 4.590 10.487 584 1HE LYS 72 2HE LYS 72 8.469 6.864 9.726 585 2HE LYS 72 3HE LYS 72 6.833 7.122 10.360 586 1HZ LYS 72 1HZ LYS 72 9.108 6.715 12.148 587 2HZ LYS 72 2HZ LYS 72 8.449 8.186 11.746 588 3HZ LYS 72 3HZ LYS 72 7.519 7.058 12.491 589 H ILE 73 HN ILE 73 3.023 2.494 10.175 590 HA ILE 73 HA ILE 73 1.661 4.711 8.784 591 HB ILE 73 HB ILE 73 0.811 2.797 7.807 592 1HG1 ILE 73 2HG1 ILE 73 -0.780 4.506 8.796 593 2HG1 ILE 73 3HG1 ILE 73 -1.310 3.063 7.948 594 1HG2 ILE 73 1HG2 ILE 73 1.745 1.100 9.110 595 2HG2 ILE 73 2HG2 ILE 73 0.714 1.523 10.493 596 3HG2 ILE 73 3HG2 ILE 73 0.006 0.839 9.010 597 1HD1 ILE 73 1HD1 ILE 73 -1.286 3.400 10.960 598 2HD1 ILE 73 2HD1 ILE 73 -2.687 3.323 9.868 599 3HD1 ILE 73 3HD1 ILE 73 -1.682 1.894 10.097 600 H GLU 74 HN GLU 74 1.505 6.314 10.388 601 HA GLU 74 HA GLU 74 0.155 5.589 12.798 602 1HB GLU 74 2HB GLU 74 2.148 6.625 14.242 603 2HB GLU 74 3HB GLU 74 2.523 5.057 13.531 604 1HG GLU 74 2HG GLU 74 3.756 6.197 11.660 605 2HG GLU 74 3HG GLU 74 3.402 7.759 12.410 606 H GLY 75 HN GLY 75 -0.870 7.454 13.739 607 1HA GLY 75 1HA GLY 75 -0.264 10.142 13.279 608 2HA GLY 75 2HA GLY 75 -1.190 9.626 11.864 609 H ARG 76 HN ARG 76 -1.260 9.407 15.407 610 HA ARG 76 HA ARG 76 -2.862 9.759 16.941 611 1HB ARG 76 2HB ARG 76 -3.858 11.453 15.159 612 2HB ARG 76 3HB ARG 76 -5.081 10.199 14.931 613 1HG ARG 76 2HG ARG 76 -5.782 10.314 17.216 614 2HG ARG 76 3HG ARG 76 -4.373 11.251 17.696 615 1HD ARG 76 2HD ARG 76 -5.697 12.772 15.619 616 2HD ARG 76 3HD ARG 76 -6.943 12.159 16.686 617 HE ARG 76 HE ARG 76 -6.324 13.660 18.269 618 1HH1 ARG 76 1HH2 ARG 76 -3.562 13.081 16.202 619 2HH1 ARG 76 2HH2 ARG 76 -2.517 14.269 16.921 620 1HH2 ARG 76 1HH1 ARG 76 -4.976 15.240 19.325 621 2HH2 ARG 76 2HH1 ARG 76 -3.358 15.513 18.771
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