NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
638645 | 6obi | 30591 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LYS 1 HA LYS 1 -3.960 9.843 -46.083 2 HB2 LYS 1 HB2 LYS 1 -5.211 11.968 -46.635 3 HB3 LYS 1 HB1 LYS 1 -6.147 11.035 -47.805 4 HG2 LYS 1 HG2 LYS 1 -6.939 9.546 -46.041 5 HG3 LYS 1 HG1 LYS 1 -5.941 10.379 -44.851 6 HD2 LYS 1 HD2 LYS 1 -7.207 12.463 -45.254 7 HD3 LYS 1 HD1 LYS 1 -8.210 11.623 -46.436 8 HE2 LYS 1 HE2 LYS 1 -9.382 11.693 -44.298 9 HE3 LYS 1 HE1 LYS 1 -8.917 10.029 -44.653 10 HZ1 LYS 1 HZ1 LYS 1 -7.085 11.721 -43.103 11 HZ2 LYS 1 HZ2 LYS 1 -7.298 10.038 -43.055 12 HZ3 LYS 1 HZ3 LYS 1 -8.441 11.061 -42.327 13 H GLN 2 HN GLN 2 -4.128 7.708 -46.042 14 HA GLN 2 HA GLN 2 -5.870 6.370 -47.998 15 HB2 GLN 2 HB2 GLN 2 -3.439 6.209 -48.703 16 HB3 GLN 2 HB1 GLN 2 -3.161 5.278 -47.232 17 HG2 GLN 2 HG2 GLN 2 -4.770 3.595 -47.931 18 HG3 GLN 2 HG1 GLN 2 -5.211 4.553 -49.341 19 HE21 GLN 2 HE21 GLN 2 -3.885 1.778 -49.084 20 HE22 GLN 2 HE22 GLN 2 -2.501 1.906 -50.054 21 H GLN 3 HN GLN 3 -6.686 4.343 -47.278 22 HA GLN 3 HA GLN 3 -7.437 4.268 -44.568 23 HB2 GLN 3 HB2 GLN 3 -8.343 2.038 -45.089 24 HB3 GLN 3 HB1 GLN 3 -8.777 3.219 -46.321 25 HG2 GLN 3 HG2 GLN 3 -6.823 2.412 -47.684 26 HG3 GLN 3 HG1 GLN 3 -6.579 1.142 -46.488 27 HE21 GLN 3 HE21 GLN 3 -7.200 -0.688 -47.686 28 HE22 GLN 3 HE22 GLN 3 -8.739 -0.886 -48.374 29 H GLU 4 HN GLU 4 -4.894 2.587 -46.345 30 HA GLU 4 HA GLU 4 -4.104 0.814 -44.296 31 HB2 GLU 4 HB2 GLU 4 -2.581 1.988 -46.631 32 HB3 GLU 4 HB1 GLU 4 -1.938 0.728 -45.574 33 HG2 GLU 4 HG2 GLU 4 -3.833 -0.732 -46.135 34 HG3 GLU 4 HG1 GLU 4 -4.506 0.523 -47.176 35 H GLU 5 HN GLU 5 -3.066 4.100 -45.120 36 HA GLU 5 HA GLU 5 -0.966 4.294 -43.220 37 HB2 GLU 5 HB2 GLU 5 -2.706 6.383 -44.549 38 HB3 GLU 5 HB1 GLU 5 -1.318 6.772 -43.533 39 HG2 GLU 5 HG2 GLU 5 0.177 5.582 -45.033 40 HG3 GLU 5 HG1 GLU 5 -1.183 5.018 -45.998 41 H GLU 6 HN GLU 6 -4.454 5.106 -43.111 42 HA GLU 6 HA GLU 6 -4.401 6.299 -40.578 43 HB2 GLU 6 HB2 GLU 6 -6.572 4.789 -42.048 44 HB3 GLU 6 HB1 GLU 6 -6.842 5.641 -40.528 45 HG2 GLU 6 HG2 GLU 6 -5.729 6.921 -43.036 46 HG3 GLU 6 HG1 GLU 6 -7.414 7.019 -42.536 47 H ALA 7 HN ALA 7 -4.898 2.915 -41.558 48 HA ALA 7 HA ALA 7 -5.419 1.840 -39.060 49 HB1 ALA 7 HB1 ALA 7 -5.614 0.555 -41.149 50 HB2 ALA 7 HB2 ALA 7 -4.584 -0.290 -39.992 51 HB3 ALA 7 HB3 ALA 7 -3.861 0.595 -41.336 52 H GLU 8 HN GLU 8 -2.268 2.494 -40.608 53 HA GLU 8 HA GLU 8 -0.643 1.336 -38.607 54 HB2 GLU 8 HB2 GLU 8 -0.159 3.628 -40.522 55 HB3 GLU 8 HB1 GLU 8 1.103 2.899 -39.526 56 HG2 GLU 8 HG2 GLU 8 -0.607 1.408 -41.538 57 HG3 GLU 8 HG1 GLU 8 1.049 1.940 -41.815 58 H ARG 9 HN ARG 9 -1.967 4.602 -39.009 59 HA ARG 9 HA ARG 9 -0.693 5.742 -36.745 60 HB2 ARG 9 HB2 ARG 9 -3.263 6.453 -38.180 61 HB3 ARG 9 HB1 ARG 9 -2.574 7.423 -36.876 62 HG2 ARG 9 HG2 ARG 9 -0.531 7.774 -38.127 63 HG3 ARG 9 HG1 ARG 9 -1.056 6.645 -39.379 64 HD2 ARG 9 HD2 ARG 9 -1.449 8.926 -40.148 65 HD3 ARG 9 HD1 ARG 9 -2.986 8.113 -39.876 66 HE ARG 9 HE ARG 9 -2.064 9.620 -37.594 67 HH11 ARG 9 HH11 ARG 9 -3.865 9.754 -40.592 68 HH12 ARG 9 HH12 ARG 9 -4.762 11.150 -40.111 69 HH21 ARG 9 HH21 ARG 9 -3.264 11.424 -37.013 70 HH22 ARG 9 HH22 ARG 9 -4.429 12.082 -38.109 71 H LEU 10 HN LEU 10 -3.825 4.138 -37.191 72 HA LEU 10 HA LEU 10 -4.816 4.443 -34.603 73 HB2 LEU 10 HB2 LEU 10 -5.443 2.686 -36.916 74 HB3 LEU 10 HB1 LEU 10 -6.002 2.155 -35.333 75 HG LEU 10 HG LEU 10 -6.984 4.493 -35.053 76 HD11 LEU 10 HD11 LEU 10 -6.685 4.573 -38.064 77 HD12 LEU 10 HD12 LEU 10 -5.623 5.448 -36.963 78 HD13 LEU 10 HD13 LEU 10 -7.345 5.827 -37.013 79 HD21 LEU 10 HD21 LEU 10 -8.342 2.494 -35.547 80 HD22 LEU 10 HD22 LEU 10 -8.060 2.724 -37.271 81 HD23 LEU 10 HD23 LEU 10 -8.991 3.914 -36.364 82 H ARG 11 HN ARG 11 -2.639 2.054 -35.977 83 HA ARG 11 HA ARG 11 -2.800 0.145 -33.867 84 HB2 ARG 11 HB2 ARG 11 -0.766 0.701 -36.013 85 HB3 ARG 11 HB1 ARG 11 -0.523 -0.566 -34.812 86 HG2 ARG 11 HG2 ARG 11 -2.741 -1.532 -35.492 87 HG3 ARG 11 HG1 ARG 11 -2.828 -0.331 -36.780 88 HD2 ARG 11 HD2 ARG 11 -0.651 -1.191 -37.667 89 HD3 ARG 11 HD1 ARG 11 -0.679 -2.434 -36.420 90 HE ARG 11 HE ARG 11 -2.385 -3.533 -37.559 91 HH11 ARG 11 HH11 ARG 11 -1.746 -0.436 -39.061 92 HH12 ARG 11 HH12 ARG 11 -2.650 -0.826 -40.483 93 HH21 ARG 11 HH21 ARG 11 -3.590 -3.961 -39.399 94 HH22 ARG 11 HH22 ARG 11 -3.705 -2.778 -40.658 95 H ARG 12 HN ARG 12 -0.688 2.925 -34.492 96 HA ARG 12 HA ARG 12 1.090 2.489 -32.337 97 HB2 ARG 12 HB2 ARG 12 1.487 4.035 -34.278 98 HB3 ARG 12 HB1 ARG 12 0.318 5.144 -33.565 99 HG2 ARG 12 HG2 ARG 12 2.416 5.916 -32.776 100 HG3 ARG 12 HG1 ARG 12 1.746 5.003 -31.425 101 HD2 ARG 12 HD2 ARG 12 3.064 3.033 -32.069 102 HD3 ARG 12 HD1 ARG 12 3.707 3.905 -33.459 103 HE ARG 12 HE ARG 12 4.523 4.185 -30.707 104 HH11 ARG 12 HH11 ARG 12 4.330 5.797 -33.799 105 HH12 ARG 12 HH12 ARG 12 5.634 6.877 -33.442 106 HH21 ARG 12 HH21 ARG 12 6.205 5.608 -30.279 107 HH22 ARG 12 HH22 ARG 12 6.684 6.772 -31.466 108 H ILE 13 HN ILE 13 -1.961 4.296 -32.629 109 HA ILE 13 HA ILE 13 -1.857 5.546 -30.109 110 HB ILE 13 HB ILE 13 -4.215 4.722 -31.822 111 HG12 ILE 13 HG12 ILE 13 -3.028 7.469 -31.380 112 HG13 ILE 13 HG11 ILE 13 -2.493 6.414 -32.684 113 HG21 ILE 13 HG21 ILE 13 -5.062 5.006 -29.598 114 HG22 ILE 13 HG22 ILE 13 -5.400 6.515 -30.446 115 HG23 ILE 13 HG23 ILE 13 -4.046 6.417 -29.320 116 HD11 ILE 13 HD11 ILE 13 -4.290 8.039 -33.368 117 HD12 ILE 13 HD12 ILE 13 -5.381 7.219 -32.251 118 HD13 ILE 13 HD13 ILE 13 -4.717 6.348 -33.633 119 H GLN 14 HN GLN 14 -3.246 2.395 -31.145 120 HA GLN 14 HA GLN 14 -4.408 1.693 -28.716 121 HB2 GLN 14 HB2 GLN 14 -4.776 0.572 -30.935 122 HB3 GLN 14 HB1 GLN 14 -3.188 -0.175 -30.760 123 HG2 GLN 14 HG2 GLN 14 -3.902 -1.218 -28.648 124 HG3 GLN 14 HG1 GLN 14 -5.490 -0.474 -28.812 125 HE21 GLN 14 HE21 GLN 14 -6.826 -2.264 -29.254 126 HE22 GLN 14 HE22 GLN 14 -6.564 -3.350 -30.532 127 H GLU 15 HN GLU 15 -1.086 1.260 -29.917 128 HA GLU 15 HA GLU 15 -0.163 -0.461 -27.862 129 HB2 GLU 15 HB2 GLU 15 0.973 -0.100 -30.048 130 HB3 GLU 15 HB1 GLU 15 1.399 1.529 -29.522 131 HG2 GLU 15 HG2 GLU 15 2.488 0.407 -27.481 132 HG3 GLU 15 HG1 GLU 15 2.318 -1.107 -28.365 133 H GLU 16 HN GLU 16 -0.198 3.082 -28.250 134 HA GLU 16 HA GLU 16 1.380 3.661 -25.981 135 HB2 GLU 16 HB2 GLU 16 -0.730 5.283 -27.419 136 HB3 GLU 16 HB1 GLU 16 0.288 5.919 -26.127 137 HG2 GLU 16 HG2 GLU 16 2.303 5.381 -27.418 138 HG3 GLU 16 HG1 GLU 16 1.312 4.692 -28.703 139 H MET 17 HN MET 17 -2.143 3.298 -26.424 140 HA MET 17 HA MET 17 -2.928 4.068 -23.863 141 HB2 MET 17 HB2 MET 17 -4.184 2.210 -25.888 142 HB3 MET 17 HB1 MET 17 -4.969 2.673 -24.378 143 HG2 MET 17 HG2 MET 17 -4.820 5.045 -25.002 144 HG3 MET 17 HG1 MET 17 -4.002 4.607 -26.502 145 HE1 MET 17 HE1 MET 17 -6.993 6.329 -26.664 146 HE2 MET 17 HE2 MET 17 -7.014 5.582 -28.259 147 HE3 MET 17 HE3 MET 17 -5.479 6.052 -27.533 148 H GLU 18 HN GLU 18 -1.908 0.932 -25.135 149 HA GLU 18 HA GLU 18 -2.634 -0.653 -22.895 150 HB2 GLU 18 HB2 GLU 18 -2.026 -1.502 -25.186 151 HB3 GLU 18 HB1 GLU 18 -0.345 -1.119 -24.817 152 HG2 GLU 18 HG2 GLU 18 -0.440 -2.597 -22.845 153 HG3 GLU 18 HG1 GLU 18 -2.111 -3.003 -23.230 154 H LYS 19 HN LYS 19 0.357 1.075 -23.747 155 HA LYS 19 HA LYS 19 1.900 0.168 -21.561 156 HB2 LYS 19 HB2 LYS 19 2.039 2.661 -23.261 157 HB3 LYS 19 HB1 LYS 19 3.216 2.310 -21.994 158 HG2 LYS 19 HG2 LYS 19 3.737 0.155 -23.075 159 HG3 LYS 19 HG1 LYS 19 2.566 0.505 -24.344 160 HD2 LYS 19 HD2 LYS 19 4.843 2.392 -23.749 161 HD3 LYS 19 HD1 LYS 19 5.057 1.017 -24.830 162 HE2 LYS 19 HE2 LYS 19 2.878 1.956 -25.982 163 HE3 LYS 19 HE1 LYS 19 3.340 3.455 -25.177 164 HZ1 LYS 19 HZ1 LYS 19 5.672 2.747 -26.208 165 HZ2 LYS 19 HZ2 LYS 19 4.545 3.702 -27.047 166 HZ3 LYS 19 HZ3 LYS 19 4.645 2.035 -27.355 167 H GLU 20 HN GLU 20 -0.216 2.981 -21.970 168 HA GLU 20 HA GLU 20 0.281 4.160 -19.449 169 HB2 GLU 20 HB2 GLU 20 -2.106 4.311 -21.299 170 HB3 GLU 20 HB1 GLU 20 -1.951 5.272 -19.829 171 HG2 GLU 20 HG2 GLU 20 0.040 5.267 -22.114 172 HG3 GLU 20 HG1 GLU 20 -1.179 6.509 -21.840 173 H ARG 21 HN ARG 21 -2.089 1.780 -20.558 174 HA ARG 21 HA ARG 21 -3.561 1.596 -18.158 175 HB2 ARG 21 HB2 ARG 21 -3.106 -0.325 -20.436 176 HB3 ARG 21 HB1 ARG 21 -4.107 -0.753 -19.049 177 HG2 ARG 21 HG2 ARG 21 -5.512 1.230 -19.452 178 HG3 ARG 21 HG1 ARG 21 -4.518 1.661 -20.844 179 HD2 ARG 21 HD2 ARG 21 -5.898 -1.018 -20.600 180 HD3 ARG 21 HD1 ARG 21 -6.677 0.373 -21.344 181 HE ARG 21 HE ARG 21 -4.303 0.208 -22.657 182 HH11 ARG 21 HH11 ARG 21 -6.850 -2.091 -22.010 183 HH12 ARG 21 HH12 ARG 21 -6.564 -2.984 -23.462 184 HH21 ARG 21 HH21 ARG 21 -3.963 -0.985 -24.537 185 HH22 ARG 21 HH22 ARG 21 -4.947 -2.366 -24.876 186 H LYS 22 HN LYS 22 -0.692 -0.164 -19.295 187 HA LYS 22 HA LYS 22 -0.488 -1.947 -17.117 188 HB2 LYS 22 HB2 LYS 22 1.561 -0.852 -19.042 189 HB3 LYS 22 HB1 LYS 22 1.956 -2.054 -17.812 190 HG2 LYS 22 HG2 LYS 22 0.200 -3.544 -18.733 191 HG3 LYS 22 HG1 LYS 22 -0.140 -2.349 -19.988 192 HD2 LYS 22 HD2 LYS 22 2.178 -2.535 -20.805 193 HD3 LYS 22 HD1 LYS 22 2.529 -3.726 -19.553 194 HE2 LYS 22 HE2 LYS 22 0.391 -4.062 -21.678 195 HE3 LYS 22 HE1 LYS 22 2.006 -4.763 -21.770 196 HZ1 LYS 22 HZ1 LYS 22 0.402 -6.336 -20.881 197 HZ2 LYS 22 HZ2 LYS 22 0.021 -5.266 -19.618 198 HZ3 LYS 22 HZ3 LYS 22 1.573 -5.951 -19.714 199 H ARG 23 HN ARG 23 0.825 1.290 -17.668 200 HA ARG 23 HA ARG 23 2.442 1.443 -15.361 201 HB2 ARG 23 HB2 ARG 23 2.469 3.023 -17.330 202 HB3 ARG 23 HB1 ARG 23 0.976 3.727 -16.706 203 HG2 ARG 23 HG2 ARG 23 2.150 4.179 -14.542 204 HG3 ARG 23 HG1 ARG 23 3.646 3.608 -15.280 205 HD2 ARG 23 HD2 ARG 23 3.398 5.356 -17.045 206 HD3 ARG 23 HD1 ARG 23 1.984 5.970 -16.192 207 HE ARG 23 HE ARG 23 4.726 6.399 -15.484 208 HH11 ARG 23 HH11 ARG 23 1.527 6.011 -14.146 209 HH12 ARG 23 HH12 ARG 23 1.902 6.883 -12.701 210 HH21 ARG 23 HH21 ARG 23 5.163 7.576 -13.617 211 HH22 ARG 23 HH22 ARG 23 3.928 7.798 -12.425 212 H ARG 24 HN ARG 24 -0.976 2.280 -15.940 213 HA ARG 24 HA ARG 24 -1.482 3.391 -13.392 214 HB2 ARG 24 HB2 ARG 24 -3.284 2.019 -15.404 215 HB3 ARG 24 HB1 ARG 24 -3.876 2.825 -13.953 216 HG2 ARG 24 HG2 ARG 24 -2.091 4.242 -15.930 217 HG3 ARG 24 HG1 ARG 24 -3.840 4.204 -16.135 218 HD2 ARG 24 HD2 ARG 24 -2.452 5.176 -13.622 219 HD3 ARG 24 HD1 ARG 24 -2.984 6.235 -14.921 220 HE ARG 24 HE ARG 24 -5.157 4.637 -14.114 221 HH11 ARG 24 HH11 ARG 24 -3.162 7.225 -12.890 222 HH12 ARG 24 HH12 ARG 24 -4.413 7.859 -11.877 223 HH21 ARG 24 HH21 ARG 24 -6.754 5.486 -12.782 224 HH22 ARG 24 HH22 ARG 24 -6.425 6.882 -11.815 225 H GLU 25 HN GLU 25 -1.751 0.089 -14.674 226 HA GLU 25 HA GLU 25 -2.891 -1.090 -12.382 227 HB2 GLU 25 HB2 GLU 25 -1.138 -2.228 -14.570 228 HB3 GLU 25 HB1 GLU 25 -1.896 -3.215 -13.321 229 HG2 GLU 25 HG2 GLU 25 -4.108 -2.480 -14.019 230 HG3 GLU 25 HG1 GLU 25 -3.406 -1.366 -15.189 231 H GLU 26 HN GLU 26 0.472 -0.593 -13.368 232 HA GLU 26 HA GLU 26 1.688 -1.977 -11.221 233 HB2 GLU 26 HB2 GLU 26 2.868 -1.226 -13.297 234 HB3 GLU 26 HB1 GLU 26 2.783 0.430 -12.701 235 HG2 GLU 26 HG2 GLU 26 4.944 -0.440 -12.088 236 HG3 GLU 26 HG1 GLU 26 3.972 -0.337 -10.622 237 H ASP 27 HN ASP 27 0.727 1.410 -11.630 238 HA ASP 27 HA ASP 27 1.702 2.378 -9.164 239 HB2 ASP 27 HB2 ASP 27 -0.331 3.324 -11.142 240 HB3 ASP 27 HB1 ASP 27 -0.239 4.102 -9.568 241 H GLU 28 HN GLU 28 -1.412 0.996 -10.123 242 HA GLU 28 HA GLU 28 -2.768 1.450 -7.683 243 HB2 GLU 28 HB2 GLU 28 -3.825 0.769 -9.864 244 HB3 GLU 28 HB1 GLU 28 -3.205 -0.858 -9.589 245 HG2 GLU 28 HG2 GLU 28 -4.846 0.518 -7.474 246 HG3 GLU 28 HG1 GLU 28 -5.633 -0.282 -8.827 247 H GLN 29 HN GLN 29 -0.822 -1.283 -8.854 248 HA GLN 29 HA GLN 29 -1.212 -2.970 -6.634 249 HB2 GLN 29 HB2 GLN 29 -0.207 -3.672 -8.816 250 HB3 GLN 29 HB1 GLN 29 1.251 -2.781 -8.385 251 HG2 GLN 29 HG2 GLN 29 1.597 -4.182 -6.431 252 HG3 GLN 29 HG1 GLN 29 0.068 -5.012 -6.714 253 HE21 GLN 29 HE21 GLN 29 3.011 -5.976 -6.767 254 HE22 GLN 29 HE22 GLN 29 3.134 -6.787 -8.252 255 H ARG 30 HN ARG 30 1.219 -0.473 -7.305 256 HA ARG 30 HA ARG 30 2.781 -0.886 -4.991 257 HB2 ARG 30 HB2 ARG 30 2.349 1.548 -6.721 258 HB3 ARG 30 HB1 ARG 30 3.484 1.527 -5.368 259 HG2 ARG 30 HG2 ARG 30 4.446 -0.609 -6.474 260 HG3 ARG 30 HG1 ARG 30 3.550 -0.109 -7.909 261 HD2 ARG 30 HD2 ARG 30 5.531 1.638 -6.431 262 HD3 ARG 30 HD1 ARG 30 5.925 0.700 -7.867 263 HE ARG 30 HE ARG 30 3.736 2.265 -8.543 264 HH11 ARG 30 HH11 ARG 30 7.006 2.801 -7.441 265 HH12 ARG 30 HH12 ARG 30 7.149 4.320 -8.257 266 HH21 ARG 30 HH21 ARG 30 3.966 4.237 -9.592 267 HH22 ARG 30 HH22 ARG 30 5.445 5.125 -9.461 268 H ARG 31 HN ARG 31 -0.016 1.191 -5.618 269 HA ARG 31 HA ARG 31 -0.047 2.502 -3.114 270 HB2 ARG 31 HB2 ARG 31 -2.230 1.903 -5.116 271 HB3 ARG 31 HB1 ARG 31 -2.501 2.860 -3.658 272 HG2 ARG 31 HG2 ARG 31 -0.719 4.424 -4.355 273 HG3 ARG 31 HG1 ARG 31 -0.469 3.478 -5.825 274 HD2 ARG 31 HD2 ARG 31 -2.791 3.891 -6.508 275 HD3 ARG 31 HD1 ARG 31 -3.078 4.793 -5.026 276 HE ARG 31 HE ARG 31 -0.894 5.865 -6.547 277 HH11 ARG 31 HH11 ARG 31 -4.375 5.801 -6.284 278 HH12 ARG 31 HH12 ARG 31 -4.571 7.340 -7.050 279 HH21 ARG 31 HH21 ARG 31 -1.191 7.858 -7.535 280 HH22 ARG 31 HH22 ARG 31 -2.785 8.493 -7.750 281 H ARG 32 HN ARG 32 -1.564 -0.484 -4.253 282 HA ARG 32 HA ARG 32 -3.062 -1.033 -1.917 283 HB2 ARG 32 HB2 ARG 32 -3.278 -2.168 -4.171 284 HB3 ARG 32 HB1 ARG 32 -1.828 -3.083 -3.765 285 HG2 ARG 32 HG2 ARG 32 -2.901 -4.070 -1.840 286 HG3 ARG 32 HG1 ARG 32 -4.299 -3.010 -2.017 287 HD2 ARG 32 HD2 ARG 32 -3.423 -5.080 -4.055 288 HD3 ARG 32 HD1 ARG 32 -4.743 -5.288 -2.907 289 HE ARG 32 HE ARG 32 -4.771 -3.677 -5.308 290 HH11 ARG 32 HH11 ARG 32 -6.214 -4.114 -2.159 291 HH12 ARG 32 HH12 ARG 32 -7.691 -3.332 -2.611 292 HH21 ARG 32 HH21 ARG 32 -6.677 -2.658 -5.844 293 HH22 ARG 32 HH22 ARG 32 -7.956 -2.522 -4.685 294 H LYS 33 HN LYS 33 0.210 -1.962 -2.903 295 HA LYS 33 HA LYS 33 0.845 -3.540 -0.650 296 HB2 LYS 33 HB2 LYS 33 2.190 -3.502 -2.743 297 HB3 LYS 33 HB1 LYS 33 2.743 -1.880 -2.330 298 HG2 LYS 33 HG2 LYS 33 3.727 -2.740 -0.240 299 HG3 LYS 33 HG1 LYS 33 3.165 -4.362 -0.640 300 HD2 LYS 33 HD2 LYS 33 4.543 -4.333 -2.691 301 HD3 LYS 33 HD1 LYS 33 5.121 -2.718 -2.276 302 HE2 LYS 33 HE2 LYS 33 5.464 -5.161 -0.511 303 HE3 LYS 33 HE1 LYS 33 6.708 -4.534 -1.594 304 HZ1 LYS 33 HZ1 LYS 33 6.334 -2.341 -0.370 305 HZ2 LYS 33 HZ2 LYS 33 7.183 -3.563 0.448 306 HZ3 LYS 33 HZ3 LYS 33 5.552 -3.269 0.815 307 H GLU 34 HN GLU 34 1.251 -0.086 -1.312 308 HA GLU 34 HA GLU 34 2.659 0.599 1.027 309 HB2 GLU 34 HB2 GLU 34 2.411 2.093 -0.938 310 HB3 GLU 34 HB1 GLU 34 0.705 2.292 -0.550 311 HG2 GLU 34 HG2 GLU 34 1.330 3.237 1.652 312 HG3 GLU 34 HG1 GLU 34 3.029 3.071 1.232 313 H GLU 35 HN GLU 35 -0.820 0.457 0.340 314 HA GLU 35 HA GLU 35 -1.730 1.476 2.815 315 HB2 GLU 35 HB2 GLU 35 -3.017 -0.373 0.800 316 HB3 GLU 35 HB1 GLU 35 -3.859 0.255 2.214 317 HG2 GLU 35 HG2 GLU 35 -3.506 2.543 1.465 318 HG3 GLU 35 HG1 GLU 35 -2.529 1.984 0.112 319 H GLU 36 HN GLU 36 -1.012 -1.761 1.686 320 HA GLU 36 HA GLU 36 -1.934 -3.174 3.980 321 HB2 GLU 36 HB2 GLU 36 0.120 -3.900 1.882 322 HB3 GLU 36 HB1 GLU 36 -0.375 -4.996 3.171 323 HG2 GLU 36 HG2 GLU 36 -2.692 -4.894 2.419 324 HG3 GLU 36 HG1 GLU 36 -2.271 -3.707 1.186 325 H GLU 37 HN GLU 37 1.230 -1.869 3.077 326 HA GLU 37 HA GLU 37 2.660 -2.804 5.319 327 HB2 GLU 37 HB2 GLU 37 3.653 -1.850 3.206 328 HB3 GLU 37 HB1 GLU 37 3.198 -0.251 3.791 329 HG2 GLU 37 HG2 GLU 37 4.571 -0.519 5.767 330 HG3 GLU 37 HG1 GLU 37 4.938 -2.188 5.339 331 H ARG 38 HN ARG 38 0.857 0.198 4.747 332 HA ARG 38 HA ARG 38 1.536 1.482 7.171 333 HB2 ARG 38 HB2 ARG 38 0.385 2.502 5.138 334 HB3 ARG 38 HB1 ARG 38 -1.102 1.750 5.714 335 HG2 ARG 38 HG2 ARG 38 -0.927 2.944 7.835 336 HG3 ARG 38 HG1 ARG 38 0.611 3.655 7.341 337 HD2 ARG 38 HD2 ARG 38 -2.042 4.051 5.926 338 HD3 ARG 38 HD1 ARG 38 -1.293 5.218 7.010 339 HE ARG 38 HE ARG 38 0.618 4.721 5.102 340 HH11 ARG 38 HH11 ARG 38 -2.700 5.802 5.038 341 HH12 ARG 38 HH12 ARG 38 -2.486 6.728 3.593 342 HH21 ARG 38 HH21 ARG 38 0.853 5.928 3.219 343 HH22 ARG 38 HH22 ARG 38 -0.495 6.800 2.576 344 H ARG 39 HN ARG 39 -1.226 -0.656 6.306 345 HA ARG 39 HA ARG 39 -2.519 -0.563 8.765 346 HB2 ARG 39 HB2 ARG 39 -3.512 -1.560 6.752 347 HB3 ARG 39 HB1 ARG 39 -2.320 -2.858 6.797 348 HG2 ARG 39 HG2 ARG 39 -3.171 -3.550 9.020 349 HG3 ARG 39 HG1 ARG 39 -4.387 -2.273 8.940 350 HD2 ARG 39 HD2 ARG 39 -5.393 -3.278 6.978 351 HD3 ARG 39 HD1 ARG 39 -4.097 -4.466 6.870 352 HE ARG 39 HE ARG 39 -5.178 -4.830 9.373 353 HH11 ARG 39 HH11 ARG 39 -6.354 -4.931 6.088 354 HH12 ARG 39 HH12 ARG 39 -7.577 -6.103 6.443 355 HH21 ARG 39 HH21 ARG 39 -6.784 -6.337 9.800 356 HH22 ARG 39 HH22 ARG 39 -7.819 -6.892 8.529 357 H MET 40 HN MET 40 0.092 -2.706 7.616 358 HA MET 40 HA MET 40 0.175 -4.409 9.848 359 HB2 MET 40 HB2 MET 40 1.355 -4.827 7.693 360 HB3 MET 40 HB1 MET 40 2.482 -3.533 8.091 361 HG2 MET 40 HG2 MET 40 3.167 -4.747 10.126 362 HG3 MET 40 HG1 MET 40 2.041 -6.045 9.731 363 HE1 MET 40 HE1 MET 40 2.329 -6.434 6.528 364 HE2 MET 40 HE2 MET 40 2.044 -7.475 7.920 365 HE3 MET 40 HE3 MET 40 3.352 -7.849 6.800 366 H LYS 41 HN LYS 41 1.812 -1.323 9.184 367 HA LYS 41 HA LYS 41 3.413 -1.265 11.508 368 HB2 LYS 41 HB2 LYS 41 2.301 0.938 9.763 369 HB3 LYS 41 HB1 LYS 41 3.397 1.240 11.111 370 HG2 LYS 41 HG2 LYS 41 5.073 -0.253 10.088 371 HG3 LYS 41 HG1 LYS 41 3.976 -0.563 8.741 372 HD2 LYS 41 HD2 LYS 41 4.006 1.820 8.146 373 HD3 LYS 41 HD1 LYS 41 5.070 2.163 9.508 374 HE2 LYS 41 HE2 LYS 41 5.752 0.268 7.239 375 HE3 LYS 41 HE1 LYS 41 6.300 1.939 7.336 376 HZ1 LYS 41 HZ1 LYS 41 7.083 -0.375 8.945 377 HZ2 LYS 41 HZ2 LYS 41 7.064 1.146 9.702 378 HZ3 LYS 41 HZ3 LYS 41 8.035 0.887 8.333 379 H LEU 42 HN LEU 42 0.144 -0.109 10.839 380 HA LEU 42 HA LEU 42 -0.283 1.194 13.321 381 HB2 LEU 42 HB2 LEU 42 -1.734 1.472 11.306 382 HB3 LEU 42 HB1 LEU 42 -2.358 -0.153 11.574 383 HG LEU 42 HG LEU 42 -3.007 0.611 13.910 384 HD11 LEU 42 HD11 LEU 42 -2.247 3.262 12.676 385 HD12 LEU 42 HD12 LEU 42 -1.678 2.569 14.192 386 HD13 LEU 42 HD13 LEU 42 -3.342 3.138 14.053 387 HD21 LEU 42 HD21 LEU 42 -4.701 0.356 12.205 388 HD22 LEU 42 HD22 LEU 42 -4.270 1.903 11.476 389 HD23 LEU 42 HD23 LEU 42 -5.025 1.857 13.069 390 H GLU 43 HN GLU 43 -0.918 -2.114 12.224 391 HA GLU 43 HA GLU 43 -2.152 -3.064 14.571 392 HB2 GLU 43 HB2 GLU 43 -0.559 -4.501 12.439 393 HB3 GLU 43 HB1 GLU 43 -1.407 -5.329 13.744 394 HG2 GLU 43 HG2 GLU 43 -3.531 -4.379 13.021 395 HG3 GLU 43 HG1 GLU 43 -2.719 -3.432 11.780 396 H MET 44 HN MET 44 1.229 -2.948 13.563 397 HA MET 44 HA MET 44 2.327 -4.392 15.723 398 HB2 MET 44 HB2 MET 44 3.467 -2.266 13.909 399 HB3 MET 44 HB1 MET 44 4.430 -3.047 15.161 400 HG2 MET 44 HG2 MET 44 3.965 -5.246 14.172 401 HG3 MET 44 HG1 MET 44 2.952 -4.493 12.940 402 HE1 MET 44 HE1 MET 44 5.597 -6.434 12.637 403 HE2 MET 44 HE2 MET 44 6.201 -5.753 11.129 404 HE3 MET 44 HE3 MET 44 4.468 -5.971 11.359 405 H GLU 45 HN GLU 45 1.668 -0.939 15.310 406 HA GLU 45 HA GLU 45 2.775 -0.030 17.742 407 HB2 GLU 45 HB2 GLU 45 0.560 1.083 16.008 408 HB3 GLU 45 HB1 GLU 45 1.222 1.928 17.408 409 HG2 GLU 45 HG2 GLU 45 2.861 0.975 15.046 410 HG3 GLU 45 HG1 GLU 45 2.294 2.629 15.268 411 H ALA 46 HN ALA 46 -0.457 -1.180 16.893 412 HA ALA 46 HA ALA 46 -1.718 -0.635 19.367 413 HB1 ALA 46 HB1 ALA 46 -2.316 -2.839 17.374 414 HB2 ALA 46 HB2 ALA 46 -2.972 -1.205 17.322 415 HB3 ALA 46 HB3 ALA 46 -3.398 -2.283 18.650 416 H LYS 47 HN LYS 47 -0.000 -3.504 18.160 417 HA LYS 47 HA LYS 47 -0.439 -5.160 20.378 418 HB2 LYS 47 HB2 LYS 47 1.862 -5.029 18.422 419 HB3 LYS 47 HB1 LYS 47 1.692 -6.303 19.630 420 HG2 LYS 47 HG2 LYS 47 -0.510 -6.897 18.697 421 HG3 LYS 47 HG1 LYS 47 -0.352 -5.619 17.493 422 HD2 LYS 47 HD2 LYS 47 1.660 -6.713 16.585 423 HD3 LYS 47 HD1 LYS 47 1.518 -7.990 17.793 424 HE2 LYS 47 HE2 LYS 47 -0.698 -8.601 16.887 425 HE3 LYS 47 HE1 LYS 47 -0.554 -7.327 15.677 426 HZ1 LYS 47 HZ1 LYS 47 1.657 -8.526 15.126 427 HZ2 LYS 47 HZ2 LYS 47 0.194 -9.155 14.538 428 HZ3 LYS 47 HZ3 LYS 47 0.936 -9.853 15.897 429 H ARG 48 HN ARG 48 2.162 -2.809 19.735 430 HA ARG 48 HA ARG 48 3.668 -3.281 22.070 431 HB2 ARG 48 HB2 ARG 48 3.341 -0.852 20.303 432 HB3 ARG 48 HB1 ARG 48 4.483 -0.910 21.648 433 HG2 ARG 48 HG2 ARG 48 5.657 -2.772 20.661 434 HG3 ARG 48 HG1 ARG 48 4.425 -2.953 19.409 435 HD2 ARG 48 HD2 ARG 48 4.980 -0.773 18.484 436 HD3 ARG 48 HD1 ARG 48 6.121 -0.468 19.789 437 HE ARG 48 HE ARG 48 7.038 -2.770 18.638 438 HH11 ARG 48 HH11 ARG 48 6.215 0.393 17.381 439 HH12 ARG 48 HH12 ARG 48 7.393 0.310 16.118 440 HH21 ARG 48 HH21 ARG 48 8.544 -2.831 16.981 441 HH22 ARG 48 HH22 ARG 48 8.694 -1.495 15.891 442 H LYS 49 HN LYS 49 1.005 -1.071 21.376 443 HA LYS 49 HA LYS 49 1.002 0.291 23.855 444 HB2 LYS 49 HB2 LYS 49 -1.217 -0.264 21.881 445 HB3 LYS 49 HB1 LYS 49 -1.440 0.737 23.317 446 HG2 LYS 49 HG2 LYS 49 0.404 2.208 22.559 447 HG3 LYS 49 HG1 LYS 49 0.593 1.218 21.115 448 HD2 LYS 49 HD2 LYS 49 -0.765 3.018 20.404 449 HD3 LYS 49 HD1 LYS 49 -1.904 1.700 20.673 450 HE2 LYS 49 HE2 LYS 49 -2.783 3.737 21.689 451 HE3 LYS 49 HE1 LYS 49 -2.344 2.597 22.961 452 HZ1 LYS 49 HZ1 LYS 49 -0.319 4.508 22.049 453 HZ2 LYS 49 HZ2 LYS 49 -0.554 3.829 23.587 454 HZ3 LYS 49 HZ3 LYS 49 -1.565 5.083 23.048 455 H GLN 50 HN GLN 50 -0.692 -2.637 22.783 456 HA GLN 50 HA GLN 50 -2.147 -3.091 25.168 457 HB2 GLN 50 HB2 GLN 50 -1.168 -4.992 23.025 458 HB3 GLN 50 HB1 GLN 50 -2.224 -5.479 24.351 459 HG2 GLN 50 HG2 GLN 50 -3.895 -3.823 23.657 460 HG3 GLN 50 HG1 GLN 50 -2.836 -3.278 22.357 461 HE21 GLN 50 HE21 GLN 50 -5.478 -5.228 22.898 462 HE22 GLN 50 HE22 GLN 50 -5.277 -6.323 21.616 463 H GLU 51 HN GLU 51 1.046 -4.182 24.076 464 HA GLU 51 HA GLU 51 1.661 -5.840 26.259 465 HB2 GLU 51 HB2 GLU 51 2.950 -5.760 24.112 466 HB3 GLU 51 HB1 GLU 51 3.612 -4.206 24.618 467 HG2 GLU 51 HG2 GLU 51 4.514 -5.295 26.666 468 HG3 GLU 51 HG1 GLU 51 3.924 -6.846 26.077 469 H GLU 52 HN GLU 52 2.177 -2.367 25.721 470 HA GLU 52 HA GLU 52 3.687 -1.831 28.029 471 HB2 GLU 52 HB2 GLU 52 1.851 -0.097 26.377 472 HB3 GLU 52 HB1 GLU 52 2.804 0.521 27.725 473 HG2 GLU 52 HG2 GLU 52 4.868 -0.172 26.647 474 HG3 GLU 52 HG1 GLU 52 3.975 -0.939 25.340 475 H GLU 53 HN GLU 53 0.203 -1.867 27.467 476 HA GLU 53 HA GLU 53 -0.615 -0.825 29.971 477 HB2 GLU 53 HB2 GLU 53 -2.082 -1.066 27.950 478 HB3 GLU 53 HB1 GLU 53 -2.113 -2.806 28.239 479 HG2 GLU 53 HG2 GLU 53 -4.078 -1.899 29.286 480 HG3 GLU 53 HG1 GLU 53 -2.941 -2.315 30.565 481 H GLU 54 HN GLU 54 -0.065 -4.146 28.832 482 HA GLU 54 HA GLU 54 -0.849 -5.479 31.183 483 HB2 GLU 54 HB2 GLU 54 1.068 -6.255 28.982 484 HB3 GLU 54 HB1 GLU 54 0.624 -7.335 30.304 485 HG2 GLU 54 HG2 GLU 54 -1.345 -6.031 28.407 486 HG3 GLU 54 HG1 GLU 54 -0.777 -7.693 28.281 487 H ARG 55 HN ARG 55 2.264 -4.173 30.134 488 HA ARG 55 HA ARG 55 3.844 -5.207 32.224 489 HB2 ARG 55 HB2 ARG 55 4.696 -4.113 30.128 490 HB3 ARG 55 HB1 ARG 55 4.219 -2.559 30.809 491 HG2 ARG 55 HG2 ARG 55 5.671 -3.069 32.803 492 HG3 ARG 55 HG1 ARG 55 6.236 -4.507 31.955 493 HD2 ARG 55 HD2 ARG 55 6.473 -1.676 30.902 494 HD3 ARG 55 HD1 ARG 55 7.779 -2.576 31.666 495 HE ARG 55 HE ARG 55 6.741 -2.945 28.990 496 HH11 ARG 55 HH11 ARG 55 8.470 -4.454 31.619 497 HH12 ARG 55 HH12 ARG 55 9.274 -5.586 30.586 498 HH21 ARG 55 HH21 ARG 55 7.785 -4.444 27.685 499 HH22 ARG 55 HH22 ARG 55 8.888 -5.580 28.381 500 H LYS 56 HN LYS 56 2.037 -2.176 31.946 501 HA LYS 56 HA LYS 56 2.802 -1.018 34.410 502 HB2 LYS 56 HB2 LYS 56 1.659 0.224 32.587 503 HB3 LYS 56 HB1 LYS 56 0.181 -0.677 32.925 504 HG2 LYS 56 HG2 LYS 56 0.155 0.215 35.222 505 HG3 LYS 56 HG1 LYS 56 1.641 1.106 34.898 506 HD2 LYS 56 HD2 LYS 56 0.494 2.378 33.120 507 HD3 LYS 56 HD1 LYS 56 -0.996 1.487 33.444 508 HE2 LYS 56 HE2 LYS 56 -1.006 2.340 35.760 509 HE3 LYS 56 HE1 LYS 56 0.479 3.236 35.437 510 HZ1 LYS 56 HZ1 LYS 56 -0.636 4.547 33.809 511 HZ2 LYS 56 HZ2 LYS 56 -1.580 4.574 35.222 512 HZ3 LYS 56 HZ3 LYS 56 -2.038 3.598 33.910 513 H LYS 57 HN LYS 57 0.140 -3.160 33.513 514 HA LYS 57 HA LYS 57 -1.180 -3.178 36.028 515 HB2 LYS 57 HB2 LYS 57 -1.103 -5.187 33.768 516 HB3 LYS 57 HB1 LYS 57 -2.111 -5.385 35.201 517 HG2 LYS 57 HG2 LYS 57 -3.224 -3.245 34.737 518 HG3 LYS 57 HG1 LYS 57 -2.198 -3.006 33.322 519 HD2 LYS 57 HD2 LYS 57 -3.118 -5.020 32.278 520 HD3 LYS 57 HD1 LYS 57 -4.103 -5.335 33.708 521 HE2 LYS 57 HE2 LYS 57 -5.314 -3.236 33.371 522 HE3 LYS 57 HE1 LYS 57 -4.304 -2.846 31.982 523 HZ1 LYS 57 HZ1 LYS 57 -6.369 -4.928 32.252 524 HZ2 LYS 57 HZ2 LYS 57 -5.108 -5.133 31.132 525 HZ3 LYS 57 HZ3 LYS 57 -6.145 -3.794 31.010 526 H ARG 58 HN ARG 58 1.343 -5.232 34.626 527 HA ARG 58 HA ARG 58 1.522 -7.084 36.750 528 HB2 ARG 58 HB2 ARG 58 2.532 -7.474 34.526 529 HB3 ARG 58 HB1 ARG 58 3.708 -6.199 34.851 530 HG2 ARG 58 HG2 ARG 58 4.597 -7.436 36.747 531 HG3 ARG 58 HG1 ARG 58 3.351 -8.672 36.569 532 HD2 ARG 58 HD2 ARG 58 4.211 -9.297 34.386 533 HD3 ARG 58 HD1 ARG 58 5.378 -7.981 34.429 534 HE ARG 58 HE ARG 58 5.919 -9.484 36.669 535 HH11 ARG 58 HH11 ARG 58 5.779 -10.080 33.234 536 HH12 ARG 58 HH12 ARG 58 6.975 -11.329 33.288 537 HH21 ARG 58 HH21 ARG 58 7.468 -11.109 36.701 538 HH22 ARG 58 HH22 ARG 58 7.924 -11.905 35.234 539 H GLU 59 HN GLU 59 3.186 -4.016 36.121 540 HA GLU 59 HA GLU 59 5.007 -4.132 38.267 541 HB2 GLU 59 HB2 GLU 59 3.790 -1.806 36.774 542 HB3 GLU 59 HB1 GLU 59 5.037 -1.616 38.005 543 HG2 GLU 59 HG2 GLU 59 6.585 -2.971 36.735 544 HG3 GLU 59 HG1 GLU 59 5.340 -3.383 35.563 545 H ASP 60 HN ASP 60 1.715 -2.854 38.029 546 HA ASP 60 HA ASP 60 1.594 -1.634 40.571 547 HB2 ASP 60 HB2 ASP 60 -0.529 -2.713 38.721 548 HB3 ASP 60 HB1 ASP 60 -0.914 -1.932 40.250 549 H ASP 61 HN ASP 61 0.808 -4.945 39.478 550 HA ASP 61 HA ASP 61 -0.314 -5.875 41.873 551 HB2 ASP 61 HB2 ASP 61 -0.357 -6.955 39.542 552 HB3 ASP 61 HB1 ASP 61 1.253 -7.560 39.931 553 H GLU 62 HN GLU 62 3.045 -5.707 40.712 554 HA GLU 62 HA GLU 62 4.196 -7.295 42.701 555 HB2 GLU 62 HB2 GLU 62 5.343 -5.163 40.906 556 HB3 GLU 62 HB1 GLU 62 6.319 -6.163 41.984 557 HG2 GLU 62 HG2 GLU 62 5.543 -8.195 40.877 558 HG3 GLU 62 HG1 GLU 62 4.471 -7.251 39.848 559 H LYS 63 HN LYS 63 3.626 -3.821 42.417 560 HA LYS 63 HA LYS 63 5.143 -2.943 44.607 561 HB2 LYS 63 HB2 LYS 63 2.671 -1.799 43.298 562 HB3 LYS 63 HB1 LYS 63 3.602 -0.952 44.536 563 HG2 LYS 63 HG2 LYS 63 5.603 -1.036 43.131 564 HG3 LYS 63 HG1 LYS 63 4.729 -1.950 41.899 565 HD2 LYS 63 HD2 LYS 63 3.148 -0.052 41.639 566 HD3 LYS 63 HD1 LYS 63 4.068 0.859 42.836 567 HE2 LYS 63 HE2 LYS 63 6.060 0.770 41.409 568 HE3 LYS 63 HE1 LYS 63 5.188 -0.199 40.224 569 HZ1 LYS 63 HZ1 LYS 63 5.197 2.104 39.567 570 HZ2 LYS 63 HZ2 LYS 63 4.520 2.573 41.053 571 HZ3 LYS 63 HZ3 LYS 63 3.617 1.636 39.963 572 H ARG 64 HN ARG 64 1.709 -4.034 44.403 573 HA ARG 64 HA ARG 64 1.250 -3.449 47.161 574 HB2 ARG 64 HB2 ARG 64 -0.265 -5.085 45.118 575 HB3 ARG 64 HB1 ARG 64 -0.873 -4.665 46.720 576 HG2 ARG 64 HG2 ARG 64 -0.730 -2.288 46.204 577 HG3 ARG 64 HG1 ARG 64 0.006 -2.642 44.642 578 HD2 ARG 64 HD2 ARG 64 -2.740 -3.609 45.471 579 HD3 ARG 64 HD1 ARG 64 -2.462 -2.146 44.533 580 HE ARG 64 HE ARG 64 -1.157 -4.223 43.208 581 HH11 ARG 64 HH11 ARG 64 -4.420 -3.360 44.088 582 HH12 ARG 64 HH12 ARG 64 -5.122 -4.177 42.735 583 HH21 ARG 64 HH21 ARG 64 -2.111 -5.283 41.459 584 HH22 ARG 64 HH22 ARG 64 -3.829 -5.252 41.264 585 H ILE 65 HN ILE 65 3.313 -5.666 45.891 586 HA ILE 65 HA ILE 65 2.502 -8.083 47.092 587 HB ILE 65 HB ILE 65 5.211 -7.078 46.251 588 HG12 ILE 65 HG12 ILE 65 3.450 -9.277 45.143 589 HG13 ILE 65 HG11 ILE 65 3.468 -7.622 44.548 590 HG21 ILE 65 HG21 ILE 65 4.511 -9.684 47.587 591 HG22 ILE 65 HG22 ILE 65 5.813 -8.554 47.956 592 HG23 ILE 65 HG23 ILE 65 5.895 -9.534 46.502 593 HD11 ILE 65 HD11 ILE 65 4.930 -9.162 43.218 594 HD12 ILE 65 HD12 ILE 65 5.916 -9.412 44.661 595 HD13 ILE 65 HD13 ILE 65 5.809 -7.809 43.931 596 H GLN 66 HN GLN 66 4.616 -5.467 48.178 597 HA GLN 66 HA GLN 66 4.136 -6.313 50.945 598 HB2 GLN 66 HB2 GLN 66 6.820 -6.074 49.619 599 HB3 GLN 66 HB1 GLN 66 6.648 -5.739 51.342 600 HG2 GLN 66 HG2 GLN 66 5.642 -7.961 51.676 601 HG3 GLN 66 HG1 GLN 66 5.808 -8.306 49.958 602 HE21 GLN 66 HE21 GLN 66 7.525 -9.752 49.737 603 HE22 GLN 66 HE22 GLN 66 9.021 -9.609 50.530 604 H ALA 67 HN ALA 67 3.797 -3.933 48.832 605 HA ALA 67 HA ALA 67 3.224 -1.743 49.127 606 HB1 ALA 67 HB1 ALA 67 2.911 -0.820 51.215 607 HB2 ALA 67 HB2 ALA 67 4.340 -1.605 51.889 608 HB3 ALA 67 HB3 ALA 67 2.875 -2.539 51.614 609 H GLU 68 HN GLU 68 5.341 -2.203 47.698 610 HA GLU 68 HA GLU 68 7.627 -0.715 48.755 611 HB2 GLU 68 HB2 GLU 68 7.197 -2.156 46.125 612 HB3 GLU 68 HB1 GLU 68 8.688 -1.333 46.582 613 HG2 GLU 68 HG2 GLU 68 8.918 -2.799 48.541 614 HG3 GLU 68 HG1 GLU 68 7.407 -3.605 48.127 Start of MODEL 2 1 HA LYS 1 HA LYS 1 -5.989 2.887 -48.867 2 HB2 LYS 1 HB2 LYS 1 -6.002 4.044 -51.076 3 HB3 LYS 1 HB1 LYS 1 -6.687 5.469 -50.297 4 HG2 LYS 1 HG2 LYS 1 -4.720 5.645 -48.840 5 HG3 LYS 1 HG1 LYS 1 -4.033 4.195 -49.571 6 HD2 LYS 1 HD2 LYS 1 -3.992 5.329 -51.768 7 HD3 LYS 1 HD1 LYS 1 -4.655 6.785 -51.026 8 HE2 LYS 1 HE2 LYS 1 -2.045 5.472 -50.210 9 HE3 LYS 1 HE1 LYS 1 -2.171 6.877 -51.267 10 HZ1 LYS 1 HZ1 LYS 1 -1.795 7.697 -49.104 11 HZ2 LYS 1 HZ2 LYS 1 -2.962 6.672 -48.419 12 HZ3 LYS 1 HZ3 LYS 1 -3.441 7.964 -49.413 13 H GLN 2 HN GLN 2 -8.348 5.544 -48.585 14 HA GLN 2 HA GLN 2 -7.158 6.812 -46.369 15 HB2 GLN 2 HB2 GLN 2 -8.959 7.781 -47.847 16 HB3 GLN 2 HB1 GLN 2 -10.115 6.749 -47.006 17 HG2 GLN 2 HG2 GLN 2 -10.141 8.925 -45.945 18 HG3 GLN 2 HG1 GLN 2 -9.373 7.784 -44.844 19 HE21 GLN 2 HE21 GLN 2 -7.625 8.799 -43.847 20 HE22 GLN 2 HE22 GLN 2 -6.523 9.824 -44.633 21 H GLN 3 HN GLN 3 -9.591 4.248 -46.594 22 HA GLN 3 HA GLN 3 -10.234 4.092 -43.858 23 HB2 GLN 3 HB2 GLN 3 -11.490 2.990 -45.739 24 HB3 GLN 3 HB1 GLN 3 -10.200 1.792 -45.826 25 HG2 GLN 3 HG2 GLN 3 -11.936 0.867 -44.432 26 HG3 GLN 3 HG1 GLN 3 -10.598 1.319 -43.378 27 HE21 GLN 3 HE21 GLN 3 -13.401 3.105 -44.809 28 HE22 GLN 3 HE22 GLN 3 -13.867 3.818 -43.341 29 H GLU 4 HN GLU 4 -7.704 2.523 -45.775 30 HA GLU 4 HA GLU 4 -6.752 0.796 -43.747 31 HB2 GLU 4 HB2 GLU 4 -6.223 0.610 -46.194 32 HB3 GLU 4 HB1 GLU 4 -5.166 2.012 -46.021 33 HG2 GLU 4 HG2 GLU 4 -3.830 0.808 -44.346 34 HG3 GLU 4 HG1 GLU 4 -4.891 -0.588 -44.492 35 H GLU 5 HN GLU 5 -5.831 4.087 -44.710 36 HA GLU 5 HA GLU 5 -3.637 4.377 -42.958 37 HB2 GLU 5 HB2 GLU 5 -4.169 5.892 -44.869 38 HB3 GLU 5 HB1 GLU 5 -5.527 6.534 -43.944 39 HG2 GLU 5 HG2 GLU 5 -3.976 7.250 -42.166 40 HG3 GLU 5 HG1 GLU 5 -2.623 6.607 -43.088 41 H GLU 6 HN GLU 6 -7.117 5.098 -42.588 42 HA GLU 6 HA GLU 6 -6.929 6.267 -40.057 43 HB2 GLU 6 HB2 GLU 6 -9.144 4.686 -41.384 44 HB3 GLU 6 HB1 GLU 6 -9.343 5.516 -39.839 45 HG2 GLU 6 HG2 GLU 6 -8.809 7.654 -40.868 46 HG3 GLU 6 HG1 GLU 6 -8.440 6.868 -42.402 47 H ALA 7 HN ALA 7 -7.393 2.882 -41.017 48 HA ALA 7 HA ALA 7 -7.710 1.776 -38.491 49 HB1 ALA 7 HB1 ALA 7 -7.943 0.560 -40.681 50 HB2 ALA 7 HB2 ALA 7 -7.003 -0.333 -39.489 51 HB3 ALA 7 HB3 ALA 7 -6.189 0.516 -40.798 52 H GLU 8 HN GLU 8 -4.694 2.528 -40.252 53 HA GLU 8 HA GLU 8 -2.898 1.407 -38.375 54 HB2 GLU 8 HB2 GLU 8 -2.309 2.142 -40.690 55 HB3 GLU 8 HB1 GLU 8 -2.479 3.817 -40.168 56 HG2 GLU 8 HG2 GLU 8 -0.737 3.391 -38.423 57 HG3 GLU 8 HG1 GLU 8 -0.517 1.780 -39.093 58 H ARG 9 HN ARG 9 -4.327 4.636 -38.697 59 HA ARG 9 HA ARG 9 -2.929 5.821 -36.526 60 HB2 ARG 9 HB2 ARG 9 -5.619 6.497 -37.744 61 HB3 ARG 9 HB1 ARG 9 -4.781 7.495 -36.548 62 HG2 ARG 9 HG2 ARG 9 -2.849 7.711 -38.046 63 HG3 ARG 9 HG1 ARG 9 -3.645 6.688 -39.244 64 HD2 ARG 9 HD2 ARG 9 -5.520 8.352 -39.332 65 HD3 ARG 9 HD1 ARG 9 -4.603 9.384 -38.239 66 HE ARG 9 HE ARG 9 -4.070 8.945 -41.051 67 HH11 ARG 9 HH11 ARG 9 -2.727 9.932 -37.989 68 HH12 ARG 9 HH12 ARG 9 -1.462 10.864 -38.715 69 HH21 ARG 9 HH21 ARG 9 -2.417 10.154 -41.963 70 HH22 ARG 9 HH22 ARG 9 -1.286 10.986 -40.951 71 H LEU 10 HN LEU 10 -6.044 4.160 -36.772 72 HA LEU 10 HA LEU 10 -6.911 4.475 -34.136 73 HB2 LEU 10 HB2 LEU 10 -7.498 2.330 -36.185 74 HB3 LEU 10 HB1 LEU 10 -8.285 2.423 -34.617 75 HG LEU 10 HG LEU 10 -8.239 4.769 -36.517 76 HD11 LEU 10 HD11 LEU 10 -10.492 4.084 -37.224 77 HD12 LEU 10 HD12 LEU 10 -10.376 2.637 -36.223 78 HD13 LEU 10 HD13 LEU 10 -9.316 2.833 -37.618 79 HD21 LEU 10 HD21 LEU 10 -8.801 5.417 -34.284 80 HD22 LEU 10 HD22 LEU 10 -9.830 4.007 -34.058 81 HD23 LEU 10 HD23 LEU 10 -10.332 5.299 -35.143 82 H ARG 11 HN ARG 11 -4.744 2.123 -35.612 83 HA ARG 11 HA ARG 11 -4.715 0.236 -33.482 84 HB2 ARG 11 HB2 ARG 11 -2.863 0.824 -35.773 85 HB3 ARG 11 HB1 ARG 11 -2.480 -0.409 -34.570 86 HG2 ARG 11 HG2 ARG 11 -4.707 -1.470 -35.063 87 HG3 ARG 11 HG1 ARG 11 -4.924 -0.313 -36.372 88 HD2 ARG 11 HD2 ARG 11 -2.818 -1.106 -37.414 89 HD3 ARG 11 HD1 ARG 11 -2.645 -2.290 -36.124 90 HE ARG 11 HE ARG 11 -4.383 -3.538 -37.054 91 HH11 ARG 11 HH11 ARG 11 -4.076 -0.473 -38.691 92 HH12 ARG 11 HH12 ARG 11 -5.082 -0.951 -40.014 93 HH21 ARG 11 HH21 ARG 11 -5.725 -4.109 -38.779 94 HH22 ARG 11 HH22 ARG 11 -6.022 -2.975 -40.050 95 H ARG 12 HN ARG 12 -2.713 3.064 -34.267 96 HA ARG 12 HA ARG 12 -0.780 2.678 -32.246 97 HB2 ARG 12 HB2 ARG 12 -1.731 5.213 -33.608 98 HB3 ARG 12 HB1 ARG 12 -0.277 5.069 -32.617 99 HG2 ARG 12 HG2 ARG 12 0.634 3.386 -34.147 100 HG3 ARG 12 HG1 ARG 12 -0.826 3.465 -35.135 101 HD2 ARG 12 HD2 ARG 12 -0.365 5.912 -35.495 102 HD3 ARG 12 HD1 ARG 12 1.163 5.700 -34.642 103 HE ARG 12 HE ARG 12 0.554 4.826 -37.329 104 HH11 ARG 12 HH11 ARG 12 2.568 4.310 -34.536 105 HH12 ARG 12 HH12 ARG 12 3.852 3.591 -35.447 106 HH21 ARG 12 HH21 ARG 12 2.232 3.883 -38.492 107 HH22 ARG 12 HH22 ARG 12 3.661 3.352 -37.674 108 H ILE 13 HN ILE 13 -3.869 4.428 -32.334 109 HA ILE 13 HA ILE 13 -3.615 5.703 -29.836 110 HB ILE 13 HB ILE 13 -6.071 4.848 -31.385 111 HG12 ILE 13 HG12 ILE 13 -4.883 7.609 -31.024 112 HG13 ILE 13 HG11 ILE 13 -4.415 6.554 -32.356 113 HG21 ILE 13 HG21 ILE 13 -6.741 5.135 -29.086 114 HG22 ILE 13 HG22 ILE 13 -7.201 6.609 -29.937 115 HG23 ILE 13 HG23 ILE 13 -5.759 6.588 -28.922 116 HD11 ILE 13 HD11 ILE 13 -7.241 7.466 -31.745 117 HD12 ILE 13 HD12 ILE 13 -6.771 6.403 -33.069 118 HD13 ILE 13 HD13 ILE 13 -6.225 8.079 -33.049 119 H GLN 14 HN GLN 14 -5.024 2.526 -30.759 120 HA GLN 14 HA GLN 14 -6.047 1.842 -28.265 121 HB2 GLN 14 HB2 GLN 14 -5.018 0.154 -30.553 122 HB3 GLN 14 HB1 GLN 14 -5.852 -0.507 -29.146 123 HG2 GLN 14 HG2 GLN 14 -7.812 0.889 -29.639 124 HG3 GLN 14 HG1 GLN 14 -6.983 1.585 -31.026 125 HE21 GLN 14 HE21 GLN 14 -9.224 0.484 -31.866 126 HE22 GLN 14 HE22 GLN 14 -9.015 -1.075 -32.499 127 H GLU 15 HN GLU 15 -2.795 1.434 -29.648 128 HA GLU 15 HA GLU 15 -1.761 -0.276 -27.647 129 HB2 GLU 15 HB2 GLU 15 -0.445 1.643 -29.577 130 HB3 GLU 15 HB1 GLU 15 0.448 0.538 -28.529 131 HG2 GLU 15 HG2 GLU 15 -0.700 -1.376 -29.550 132 HG3 GLU 15 HG1 GLU 15 -1.631 -0.291 -30.572 133 H GLU 16 HN GLU 16 -1.833 3.259 -28.032 134 HA GLU 16 HA GLU 16 -0.135 3.858 -25.857 135 HB2 GLU 16 HB2 GLU 16 -2.338 5.446 -27.191 136 HB3 GLU 16 HB1 GLU 16 -1.275 6.103 -25.943 137 HG2 GLU 16 HG2 GLU 16 0.689 5.619 -27.320 138 HG3 GLU 16 HG1 GLU 16 -0.332 4.878 -28.552 139 H MET 17 HN MET 17 -3.680 3.477 -26.087 140 HA MET 17 HA MET 17 -4.306 4.266 -23.483 141 HB2 MET 17 HB2 MET 17 -5.943 3.923 -25.361 142 HB3 MET 17 HB1 MET 17 -5.742 2.187 -25.145 143 HG2 MET 17 HG2 MET 17 -6.511 2.356 -22.825 144 HG3 MET 17 HG1 MET 17 -6.666 4.104 -22.988 145 HE1 MET 17 HE1 MET 17 -9.173 3.961 -22.156 146 HE2 MET 17 HE2 MET 17 -8.867 2.239 -21.942 147 HE3 MET 17 HE3 MET 17 -10.324 2.772 -22.777 148 H GLU 18 HN GLU 18 -3.352 1.119 -24.806 149 HA GLU 18 HA GLU 18 -3.915 -0.418 -22.503 150 HB2 GLU 18 HB2 GLU 18 -3.193 -1.062 -25.003 151 HB3 GLU 18 HB1 GLU 18 -1.606 -1.153 -24.244 152 HG2 GLU 18 HG2 GLU 18 -4.062 -2.571 -23.187 153 HG3 GLU 18 HG1 GLU 18 -2.867 -3.332 -24.236 154 H LYS 19 HN LYS 19 -0.995 1.300 -23.567 155 HA LYS 19 HA LYS 19 0.712 0.420 -21.495 156 HB2 LYS 19 HB2 LYS 19 0.713 2.985 -23.108 157 HB3 LYS 19 HB1 LYS 19 2.031 2.470 -22.055 158 HG2 LYS 19 HG2 LYS 19 2.318 0.422 -23.360 159 HG3 LYS 19 HG1 LYS 19 0.956 0.862 -24.389 160 HD2 LYS 19 HD2 LYS 19 2.177 2.924 -25.074 161 HD3 LYS 19 HD1 LYS 19 3.554 2.403 -24.103 162 HE2 LYS 19 HE2 LYS 19 3.930 1.751 -26.419 163 HE3 LYS 19 HE1 LYS 19 3.663 0.304 -25.450 164 HZ1 LYS 19 HZ1 LYS 19 1.160 1.134 -26.289 165 HZ2 LYS 19 HZ2 LYS 19 2.038 -0.208 -26.843 166 HZ3 LYS 19 HZ3 LYS 19 2.166 1.282 -27.646 167 H GLU 20 HN GLU 20 -1.455 3.207 -21.767 168 HA GLU 20 HA GLU 20 -0.804 4.428 -19.301 169 HB2 GLU 20 HB2 GLU 20 -3.282 4.529 -21.027 170 HB3 GLU 20 HB1 GLU 20 -3.112 5.466 -19.543 171 HG2 GLU 20 HG2 GLU 20 -1.115 5.572 -21.814 172 HG3 GLU 20 HG1 GLU 20 -2.449 6.713 -21.640 173 H ARG 21 HN ARG 21 -3.213 2.015 -20.223 174 HA ARG 21 HA ARG 21 -4.553 1.846 -17.749 175 HB2 ARG 21 HB2 ARG 21 -5.418 0.851 -19.846 176 HB3 ARG 21 HB1 ARG 21 -4.123 -0.345 -19.799 177 HG2 ARG 21 HG2 ARG 21 -4.945 -1.124 -17.589 178 HG3 ARG 21 HG1 ARG 21 -6.268 0.035 -17.689 179 HD2 ARG 21 HD2 ARG 21 -7.049 -2.155 -18.423 180 HD3 ARG 21 HD1 ARG 21 -7.033 -1.040 -19.787 181 HE ARG 21 HE ARG 21 -4.574 -2.416 -19.709 182 HH11 ARG 21 HH11 ARG 21 -7.949 -2.985 -20.333 183 HH12 ARG 21 HH12 ARG 21 -7.653 -4.289 -21.428 184 HH21 ARG 21 HH21 ARG 21 -4.205 -4.108 -21.145 185 HH22 ARG 21 HH22 ARG 21 -5.539 -4.925 -21.884 186 H LYS 22 HN LYS 22 -1.727 0.113 -19.027 187 HA LYS 22 HA LYS 22 -1.380 -1.663 -16.861 188 HB2 LYS 22 HB2 LYS 22 -0.276 -1.863 -19.103 189 HB3 LYS 22 HB1 LYS 22 0.771 -0.516 -18.654 190 HG2 LYS 22 HG2 LYS 22 1.630 -1.767 -16.743 191 HG3 LYS 22 HG1 LYS 22 0.528 -3.098 -17.085 192 HD2 LYS 22 HD2 LYS 22 2.542 -2.124 -19.119 193 HD3 LYS 22 HD1 LYS 22 2.942 -3.360 -17.926 194 HE2 LYS 22 HE2 LYS 22 0.981 -4.695 -18.724 195 HE3 LYS 22 HE1 LYS 22 0.725 -3.497 -19.993 196 HZ1 LYS 22 HZ1 LYS 22 2.053 -4.937 -21.104 197 HZ2 LYS 22 HZ2 LYS 22 2.849 -5.483 -19.706 198 HZ3 LYS 22 HZ3 LYS 22 3.270 -3.990 -20.399 199 H ARG 23 HN ARG 23 -0.138 1.598 -17.501 200 HA ARG 23 HA ARG 23 1.596 1.752 -15.284 201 HB2 ARG 23 HB2 ARG 23 1.628 3.341 -17.187 202 HB3 ARG 23 HB1 ARG 23 0.083 3.995 -16.642 203 HG2 ARG 23 HG2 ARG 23 1.017 4.806 -14.608 204 HG3 ARG 23 HG1 ARG 23 2.507 3.894 -14.838 205 HD2 ARG 23 HD2 ARG 23 2.908 6.227 -15.407 206 HD3 ARG 23 HD1 ARG 23 2.989 5.241 -16.864 207 HE ARG 23 HE ARG 23 0.363 6.231 -16.558 208 HH11 ARG 23 HH11 ARG 23 3.592 7.275 -17.343 209 HH12 ARG 23 HH12 ARG 23 3.057 8.593 -18.327 210 HH21 ARG 23 HH21 ARG 23 -0.309 7.957 -17.854 211 HH22 ARG 23 HH22 ARG 23 0.866 8.972 -18.615 212 H ARG 24 HN ARG 24 -1.850 2.570 -15.658 213 HA ARG 24 HA ARG 24 -2.195 3.684 -13.083 214 HB2 ARG 24 HB2 ARG 24 -4.106 2.312 -14.985 215 HB3 ARG 24 HB1 ARG 24 -4.619 3.094 -13.487 216 HG2 ARG 24 HG2 ARG 24 -3.660 5.222 -14.250 217 HG3 ARG 24 HG1 ARG 24 -3.110 4.456 -15.740 218 HD2 ARG 24 HD2 ARG 24 -5.462 3.911 -16.308 219 HD3 ARG 24 HD1 ARG 24 -5.992 4.708 -14.830 220 HE ARG 24 HE ARG 24 -5.120 5.994 -17.266 221 HH11 ARG 24 HH11 ARG 24 -5.517 6.338 -13.822 222 HH12 ARG 24 HH12 ARG 24 -5.620 8.063 -13.887 223 HH21 ARG 24 HH21 ARG 24 -5.254 8.246 -17.320 224 HH22 ARG 24 HH22 ARG 24 -5.470 9.133 -15.849 225 H GLU 25 HN GLU 25 -2.503 0.378 -14.336 226 HA GLU 25 HA GLU 25 -3.480 -0.806 -11.973 227 HB2 GLU 25 HB2 GLU 25 -3.454 -1.875 -14.250 228 HB3 GLU 25 HB1 GLU 25 -1.719 -2.106 -14.064 229 HG2 GLU 25 HG2 GLU 25 -2.065 -3.483 -12.090 230 HG3 GLU 25 HG1 GLU 25 -3.800 -3.179 -12.144 231 H GLU 26 HN GLU 26 -0.195 -0.278 -13.179 232 HA GLU 26 HA GLU 26 1.174 -1.642 -11.115 233 HB2 GLU 26 HB2 GLU 26 2.221 -0.932 -13.254 234 HB3 GLU 26 HB1 GLU 26 2.144 0.744 -12.710 235 HG2 GLU 26 HG2 GLU 26 4.356 -0.087 -12.208 236 HG3 GLU 26 HG1 GLU 26 3.480 0.068 -10.690 237 H ASP 27 HN ASP 27 0.160 1.722 -11.474 238 HA ASP 27 HA ASP 27 1.308 2.712 -9.083 239 HB2 ASP 27 HB2 ASP 27 -0.871 3.641 -10.918 240 HB3 ASP 27 HB1 ASP 27 -0.667 4.429 -9.358 241 H GLU 28 HN GLU 28 -1.843 1.298 -9.823 242 HA GLU 28 HA GLU 28 -3.045 1.747 -7.305 243 HB2 GLU 28 HB2 GLU 28 -4.214 1.024 -9.426 244 HB3 GLU 28 HB1 GLU 28 -3.585 -0.600 -9.135 245 HG2 GLU 28 HG2 GLU 28 -5.799 -0.500 -8.183 246 HG3 GLU 28 HG1 GLU 28 -4.647 -0.511 -6.851 247 H GLN 29 HN GLN 29 -1.133 -0.962 -8.581 248 HA GLN 29 HA GLN 29 -1.364 -2.650 -6.338 249 HB2 GLN 29 HB2 GLN 29 0.801 -2.383 -8.436 250 HB3 GLN 29 HB1 GLN 29 0.781 -3.659 -7.220 251 HG2 GLN 29 HG2 GLN 29 -1.491 -3.116 -9.150 252 HG3 GLN 29 HG1 GLN 29 -0.253 -4.343 -9.403 253 HE21 GLN 29 HE21 GLN 29 -3.356 -4.251 -8.553 254 HE22 GLN 29 HE22 GLN 29 -3.406 -5.448 -7.350 255 H ARG 30 HN ARG 30 0.982 -0.119 -7.146 256 HA ARG 30 HA ARG 30 2.718 -0.497 -4.947 257 HB2 ARG 30 HB2 ARG 30 2.065 1.958 -6.599 258 HB3 ARG 30 HB1 ARG 30 3.367 1.885 -5.412 259 HG2 ARG 30 HG2 ARG 30 4.506 0.160 -6.621 260 HG3 ARG 30 HG1 ARG 30 3.124 -0.097 -7.683 261 HD2 ARG 30 HD2 ARG 30 4.798 1.225 -8.864 262 HD3 ARG 30 HD1 ARG 30 3.374 2.209 -8.545 263 HE ARG 30 HE ARG 30 5.393 2.464 -6.510 264 HH11 ARG 30 HH11 ARG 30 4.319 3.580 -9.635 265 HH12 ARG 30 HH12 ARG 30 5.135 5.098 -9.504 266 HH21 ARG 30 HH21 ARG 30 6.443 4.451 -6.366 267 HH22 ARG 30 HH22 ARG 30 6.329 5.588 -7.666 268 H ARG 31 HN ARG 31 -0.166 1.514 -5.404 269 HA ARG 31 HA ARG 31 -0.090 2.833 -2.904 270 HB2 ARG 31 HB2 ARG 31 -2.374 2.172 -4.771 271 HB3 ARG 31 HB1 ARG 31 -2.578 3.130 -3.306 272 HG2 ARG 31 HG2 ARG 31 -0.951 4.768 -4.107 273 HG3 ARG 31 HG1 ARG 31 -0.636 3.788 -5.540 274 HD2 ARG 31 HD2 ARG 31 -2.976 4.038 -6.245 275 HD3 ARG 31 HD1 ARG 31 -3.318 4.990 -4.804 276 HE ARG 31 HE ARG 31 -1.238 6.286 -6.078 277 HH11 ARG 31 HH11 ARG 31 -4.491 5.334 -6.880 278 HH12 ARG 31 HH12 ARG 31 -4.737 6.651 -7.972 279 HH21 ARG 31 HH21 ARG 31 -1.581 7.995 -7.511 280 HH22 ARG 31 HH22 ARG 31 -3.100 8.147 -8.327 281 H ARG 32 HN ARG 32 -1.617 -0.187 -3.960 282 HA ARG 32 HA ARG 32 -2.947 -0.758 -1.525 283 HB2 ARG 32 HB2 ARG 32 -1.915 -2.567 -3.725 284 HB3 ARG 32 HB1 ARG 32 -2.882 -3.144 -2.369 285 HG2 ARG 32 HG2 ARG 32 -3.794 -0.876 -4.145 286 HG3 ARG 32 HG1 ARG 32 -4.164 -2.557 -4.517 287 HD2 ARG 32 HD2 ARG 32 -5.267 -2.798 -2.321 288 HD3 ARG 32 HD1 ARG 32 -4.888 -1.123 -1.937 289 HE ARG 32 HE ARG 32 -6.941 -2.063 -3.764 290 HH11 ARG 32 HH11 ARG 32 -4.969 0.631 -2.723 291 HH12 ARG 32 HH12 ARG 32 -6.056 1.812 -3.363 292 HH21 ARG 32 HH21 ARG 32 -8.336 -0.484 -4.562 293 HH22 ARG 32 HH22 ARG 32 -7.928 1.190 -4.402 294 H LYS 33 HN LYS 33 0.256 -1.643 -2.735 295 HA LYS 33 HA LYS 33 1.049 -3.221 -0.534 296 HB2 LYS 33 HB2 LYS 33 2.656 -1.601 -2.518 297 HB3 LYS 33 HB1 LYS 33 3.391 -2.655 -1.309 298 HG2 LYS 33 HG2 LYS 33 2.138 -4.577 -2.206 299 HG3 LYS 33 HG1 LYS 33 1.381 -3.530 -3.408 300 HD2 LYS 33 HD2 LYS 33 3.597 -3.003 -4.353 301 HD3 LYS 33 HD1 LYS 33 4.360 -4.043 -3.150 302 HE2 LYS 33 HE2 LYS 33 3.128 -5.985 -4.026 303 HE3 LYS 33 HE1 LYS 33 2.335 -4.955 -5.217 304 HZ1 LYS 33 HZ1 LYS 33 4.441 -4.469 -6.215 305 HZ2 LYS 33 HZ2 LYS 33 4.281 -6.155 -6.100 306 HZ3 LYS 33 HZ3 LYS 33 5.276 -5.318 -5.005 307 H GLU 34 HN GLU 34 1.368 0.230 -1.210 308 HA GLU 34 HA GLU 34 2.903 0.927 1.047 309 HB2 GLU 34 HB2 GLU 34 2.504 2.426 -0.908 310 HB3 GLU 34 HB1 GLU 34 0.838 2.630 -0.375 311 HG2 GLU 34 HG2 GLU 34 1.645 3.555 1.768 312 HG3 GLU 34 HG1 GLU 34 3.305 3.370 1.219 313 H GLU 35 HN GLU 35 -0.612 0.738 0.565 314 HA GLU 35 HA GLU 35 -1.383 1.747 3.095 315 HB2 GLU 35 HB2 GLU 35 -2.764 -0.125 1.160 316 HB3 GLU 35 HB1 GLU 35 -3.530 0.521 2.609 317 HG2 GLU 35 HG2 GLU 35 -3.260 2.788 1.821 318 HG3 GLU 35 HG1 GLU 35 -2.306 2.251 0.443 319 H GLU 36 HN GLU 36 -0.691 -1.481 1.917 320 HA GLU 36 HA GLU 36 -1.432 -2.905 4.273 321 HB2 GLU 36 HB2 GLU 36 0.475 -3.605 2.037 322 HB3 GLU 36 HB1 GLU 36 0.076 -4.706 3.354 323 HG2 GLU 36 HG2 GLU 36 -1.970 -3.427 1.527 324 HG3 GLU 36 HG1 GLU 36 -1.341 -5.060 1.319 325 H GLU 37 HN GLU 37 1.647 -1.567 3.136 326 HA GLU 37 HA GLU 37 3.237 -2.487 5.277 327 HB2 GLU 37 HB2 GLU 37 4.153 -1.590 3.158 328 HB3 GLU 37 HB1 GLU 37 3.614 0.024 3.624 329 HG2 GLU 37 HG2 GLU 37 5.950 -0.184 4.219 330 HG3 GLU 37 HG1 GLU 37 5.004 -0.186 5.702 331 H ARG 38 HN ARG 38 1.396 0.509 4.808 332 HA ARG 38 HA ARG 38 2.243 1.811 7.159 333 HB2 ARG 38 HB2 ARG 38 0.944 2.775 5.169 334 HB3 ARG 38 HB1 ARG 38 -0.499 2.089 5.919 335 HG2 ARG 38 HG2 ARG 38 -0.077 3.379 7.963 336 HG3 ARG 38 HG1 ARG 38 1.405 4.029 7.261 337 HD2 ARG 38 HD2 ARG 38 -1.389 4.456 6.162 338 HD3 ARG 38 HD1 ARG 38 -0.437 5.643 7.048 339 HE ARG 38 HE ARG 38 -0.086 4.865 4.286 340 HH11 ARG 38 HH11 ARG 38 1.462 6.218 7.095 341 HH12 ARG 38 HH12 ARG 38 2.662 7.059 6.174 342 HH21 ARG 38 HH21 ARG 38 1.502 5.958 3.109 343 HH22 ARG 38 HH22 ARG 38 2.683 6.909 3.938 344 H ARG 39 HN ARG 39 -0.574 -0.319 6.504 345 HA ARG 39 HA ARG 39 -1.716 -0.180 9.028 346 HB2 ARG 39 HB2 ARG 39 -2.781 -1.201 7.027 347 HB3 ARG 39 HB1 ARG 39 -1.658 -2.556 7.140 348 HG2 ARG 39 HG2 ARG 39 -2.508 -2.992 9.459 349 HG3 ARG 39 HG1 ARG 39 -3.713 -1.731 9.207 350 HD2 ARG 39 HD2 ARG 39 -4.634 -2.977 7.291 351 HD3 ARG 39 HD1 ARG 39 -3.397 -4.213 7.494 352 HE ARG 39 HE ARG 39 -5.793 -3.925 9.058 353 HH11 ARG 39 HH11 ARG 39 -2.488 -5.038 9.106 354 HH12 ARG 39 HH12 ARG 39 -2.765 -6.179 10.375 355 HH21 ARG 39 HH21 ARG 39 -6.127 -5.439 10.702 356 HH22 ARG 39 HH22 ARG 39 -4.808 -6.410 11.261 357 H MET 40 HN MET 40 0.809 -2.354 7.759 358 HA MET 40 HA MET 40 1.017 -4.031 10.001 359 HB2 MET 40 HB2 MET 40 2.049 -4.473 7.767 360 HB3 MET 40 HB1 MET 40 3.227 -3.206 8.097 361 HG2 MET 40 HG2 MET 40 3.967 -4.438 10.118 362 HG3 MET 40 HG1 MET 40 2.815 -5.718 9.742 363 HE1 MET 40 HE1 MET 40 2.611 -6.916 7.839 364 HE2 MET 40 HE2 MET 40 3.955 -7.636 6.957 365 HE3 MET 40 HE3 MET 40 3.206 -6.159 6.358 366 H LYS 41 HN LYS 41 2.622 -0.964 9.190 367 HA LYS 41 HA LYS 41 4.383 -0.905 11.396 368 HB2 LYS 41 HB2 LYS 41 4.503 0.563 9.346 369 HB3 LYS 41 HB1 LYS 41 3.153 1.482 10.000 370 HG2 LYS 41 HG2 LYS 41 5.052 2.677 10.740 371 HG3 LYS 41 HG1 LYS 41 4.580 1.718 12.139 372 HD2 LYS 41 HD2 LYS 41 6.914 1.385 11.984 373 HD3 LYS 41 HD1 LYS 41 6.232 -0.063 11.249 374 HE2 LYS 41 HE2 LYS 41 6.527 0.908 9.011 375 HE3 LYS 41 HE1 LYS 41 7.171 2.385 9.727 376 HZ1 LYS 41 HZ1 LYS 41 9.094 1.336 10.381 377 HZ2 LYS 41 HZ2 LYS 41 8.774 0.549 8.909 378 HZ3 LYS 41 HZ3 LYS 41 8.394 -0.210 10.379 379 H LEU 42 HN LEU 42 1.101 0.292 10.930 380 HA LEU 42 HA LEU 42 0.845 1.610 13.427 381 HB2 LEU 42 HB2 LEU 42 -1.209 0.393 11.574 382 HB3 LEU 42 HB1 LEU 42 -1.634 1.291 13.032 383 HG LEU 42 HG LEU 42 0.180 2.435 10.899 384 HD11 LEU 42 HD11 LEU 42 -2.832 2.541 11.156 385 HD12 LEU 42 HD12 LEU 42 -1.879 2.036 9.760 386 HD13 LEU 42 HD13 LEU 42 -1.915 3.734 10.234 387 HD21 LEU 42 HD21 LEU 42 0.386 3.629 12.949 388 HD22 LEU 42 HD22 LEU 42 -1.345 3.537 13.269 389 HD23 LEU 42 HD23 LEU 42 -0.739 4.583 11.985 390 H GLU 43 HN GLU 43 0.109 -1.686 12.386 391 HA GLU 43 HA GLU 43 -0.995 -2.604 14.812 392 HB2 GLU 43 HB2 GLU 43 -1.136 -3.791 12.603 393 HB3 GLU 43 HB1 GLU 43 0.560 -4.236 12.792 394 HG2 GLU 43 HG2 GLU 43 0.080 -5.480 14.803 395 HG3 GLU 43 HG1 GLU 43 -1.583 -4.910 14.816 396 H MET 44 HN MET 44 2.315 -2.542 13.597 397 HA MET 44 HA MET 44 3.525 -4.000 15.688 398 HB2 MET 44 HB2 MET 44 4.584 -1.882 13.807 399 HB3 MET 44 HB1 MET 44 5.609 -2.689 14.992 400 HG2 MET 44 HG2 MET 44 3.935 -4.157 12.940 401 HG3 MET 44 HG1 MET 44 5.639 -3.770 12.716 402 HE1 MET 44 HE1 MET 44 4.438 -6.817 12.644 403 HE2 MET 44 HE2 MET 44 5.905 -7.514 13.325 404 HE3 MET 44 HE3 MET 44 6.018 -6.150 12.215 405 H GLU 45 HN GLU 45 2.894 -0.541 15.302 406 HA GLU 45 HA GLU 45 4.166 0.362 17.651 407 HB2 GLU 45 HB2 GLU 45 1.843 1.498 16.079 408 HB3 GLU 45 HB1 GLU 45 2.610 2.337 17.426 409 HG2 GLU 45 HG2 GLU 45 4.772 2.267 16.266 410 HG3 GLU 45 HG1 GLU 45 4.038 1.381 14.929 411 H ALA 46 HN ALA 46 0.877 -0.759 17.024 412 HA ALA 46 HA ALA 46 -0.218 -0.189 19.566 413 HB1 ALA 46 HB1 ALA 46 -0.964 -2.394 17.624 414 HB2 ALA 46 HB2 ALA 46 -1.616 -0.755 17.623 415 HB3 ALA 46 HB3 ALA 46 -1.955 -1.837 18.973 416 H LYS 47 HN LYS 47 1.389 -3.076 18.271 417 HA LYS 47 HA LYS 47 1.082 -4.725 20.520 418 HB2 LYS 47 HB2 LYS 47 1.902 -5.500 18.293 419 HB3 LYS 47 HB1 LYS 47 3.426 -4.671 18.597 420 HG2 LYS 47 HG2 LYS 47 3.831 -6.053 20.567 421 HG3 LYS 47 HG1 LYS 47 2.271 -6.848 20.360 422 HD2 LYS 47 HD2 LYS 47 2.993 -7.740 18.188 423 HD3 LYS 47 HD1 LYS 47 4.542 -6.913 18.348 424 HE2 LYS 47 HE2 LYS 47 4.791 -9.254 19.020 425 HE3 LYS 47 HE1 LYS 47 4.991 -8.208 20.424 426 HZ1 LYS 47 HZ1 LYS 47 2.331 -9.282 19.763 427 HZ2 LYS 47 HZ2 LYS 47 2.949 -8.786 21.267 428 HZ3 LYS 47 HZ3 LYS 47 3.451 -10.257 20.583 429 H ARG 48 HN ARG 48 3.644 -2.381 19.702 430 HA ARG 48 HA ARG 48 5.301 -2.860 21.923 431 HB2 ARG 48 HB2 ARG 48 4.871 -0.408 20.208 432 HB3 ARG 48 HB1 ARG 48 6.108 -0.498 21.462 433 HG2 ARG 48 HG2 ARG 48 7.115 -2.445 20.366 434 HG3 ARG 48 HG1 ARG 48 5.844 -2.436 19.144 435 HD2 ARG 48 HD2 ARG 48 7.810 -1.333 18.231 436 HD3 ARG 48 HD1 ARG 48 6.535 -0.143 18.480 437 HE ARG 48 HE ARG 48 8.208 -0.267 20.765 438 HH11 ARG 48 HH11 ARG 48 8.155 0.857 17.470 439 HH12 ARG 48 HH12 ARG 48 9.293 2.127 17.756 440 HH21 ARG 48 HH21 ARG 48 9.696 1.397 21.114 441 HH22 ARG 48 HH22 ARG 48 10.160 2.429 19.806 442 H LYS 49 HN LYS 49 2.592 -0.675 21.427 443 HA LYS 49 HA LYS 49 2.744 0.699 23.897 444 HB2 LYS 49 HB2 LYS 49 0.383 0.107 22.094 445 HB3 LYS 49 HB1 LYS 49 0.274 1.133 23.522 446 HG2 LYS 49 HG2 LYS 49 2.021 2.610 22.613 447 HG3 LYS 49 HG1 LYS 49 2.155 1.582 21.187 448 HD2 LYS 49 HD2 LYS 49 -0.187 2.049 20.608 449 HD3 LYS 49 HD1 LYS 49 -0.358 3.044 22.054 450 HE2 LYS 49 HE2 LYS 49 0.058 4.484 20.123 451 HE3 LYS 49 HE1 LYS 49 1.445 4.536 21.209 452 HZ1 LYS 49 HZ1 LYS 49 2.752 3.445 19.750 453 HZ2 LYS 49 HZ2 LYS 49 1.671 4.094 18.613 454 HZ3 LYS 49 HZ3 LYS 49 1.491 2.488 19.139 455 H GLN 50 HN GLN 50 1.015 -2.253 22.948 456 HA GLN 50 HA GLN 50 -0.258 -2.714 25.434 457 HB2 GLN 50 HB2 GLN 50 -0.768 -3.850 23.212 458 HB3 GLN 50 HB1 GLN 50 0.646 -4.862 23.514 459 HG2 GLN 50 HG2 GLN 50 -1.485 -4.581 25.626 460 HG3 GLN 50 HG1 GLN 50 -1.694 -5.716 24.295 461 HE21 GLN 50 HE21 GLN 50 -1.040 -6.063 27.328 462 HE22 GLN 50 HE22 GLN 50 0.286 -7.124 27.313 463 H GLU 51 HN GLU 51 2.852 -3.784 24.112 464 HA GLU 51 HA GLU 51 3.642 -5.431 26.247 465 HB2 GLU 51 HB2 GLU 51 5.268 -3.837 24.253 466 HB3 GLU 51 HB1 GLU 51 5.967 -4.978 25.401 467 HG2 GLU 51 HG2 GLU 51 3.752 -5.737 23.490 468 HG3 GLU 51 HG1 GLU 51 5.456 -5.936 23.098 469 H GLU 52 HN GLU 52 4.087 -1.958 25.658 470 HA GLU 52 HA GLU 52 5.749 -1.396 27.851 471 HB2 GLU 52 HB2 GLU 52 3.816 0.289 26.261 472 HB3 GLU 52 HB1 GLU 52 4.777 0.951 27.580 473 HG2 GLU 52 HG2 GLU 52 5.957 -0.539 25.224 474 HG3 GLU 52 HG1 GLU 52 5.839 1.217 25.310 475 H GLU 53 HN GLU 53 2.242 -1.456 27.522 476 HA GLU 53 HA GLU 53 1.589 -0.412 30.077 477 HB2 GLU 53 HB2 GLU 53 -0.020 -0.659 28.168 478 HB3 GLU 53 HB1 GLU 53 -0.011 -2.401 28.453 479 HG2 GLU 53 HG2 GLU 53 -0.833 -2.057 30.732 480 HG3 GLU 53 HG1 GLU 53 -0.789 -0.313 30.505 481 H GLU 54 HN GLU 54 2.076 -3.730 28.908 482 HA GLU 54 HA GLU 54 1.436 -5.069 31.298 483 HB2 GLU 54 HB2 GLU 54 1.731 -6.117 29.019 484 HB3 GLU 54 HB1 GLU 54 3.475 -5.981 29.257 485 HG2 GLU 54 HG2 GLU 54 2.836 -8.187 29.975 486 HG3 GLU 54 HG1 GLU 54 3.182 -7.247 31.424 487 H ARG 55 HN ARG 55 4.485 -3.758 30.066 488 HA ARG 55 HA ARG 55 6.177 -4.778 32.076 489 HB2 ARG 55 HB2 ARG 55 6.955 -3.724 29.944 490 HB3 ARG 55 HB1 ARG 55 6.473 -2.156 30.589 491 HG2 ARG 55 HG2 ARG 55 7.998 -2.501 32.516 492 HG3 ARG 55 HG1 ARG 55 8.527 -4.027 31.810 493 HD2 ARG 55 HD2 ARG 55 8.760 -1.302 30.507 494 HD3 ARG 55 HD1 ARG 55 10.083 -2.175 31.273 495 HE ARG 55 HE ARG 55 9.184 -3.937 29.415 496 HH11 ARG 55 HH11 ARG 55 10.078 -0.573 29.259 497 HH12 ARG 55 HH12 ARG 55 10.586 -0.662 27.609 498 HH21 ARG 55 HH21 ARG 55 9.873 -4.029 27.271 499 HH22 ARG 55 HH22 ARG 55 10.481 -2.606 26.496 500 H LYS 56 HN LYS 56 4.355 -1.747 31.872 501 HA LYS 56 HA LYS 56 5.267 -0.562 34.274 502 HB2 LYS 56 HB2 LYS 56 2.651 -0.243 32.777 503 HB3 LYS 56 HB1 LYS 56 3.145 0.772 34.131 504 HG2 LYS 56 HG2 LYS 56 5.158 1.463 32.911 505 HG3 LYS 56 HG1 LYS 56 4.712 0.424 31.558 506 HD2 LYS 56 HD2 LYS 56 2.636 1.714 31.240 507 HD3 LYS 56 HD1 LYS 56 3.069 2.753 32.598 508 HE2 LYS 56 HE2 LYS 56 3.700 3.855 30.516 509 HE3 LYS 56 HE1 LYS 56 5.156 3.399 31.394 510 HZ1 LYS 56 HZ1 LYS 56 5.790 2.258 29.620 511 HZ2 LYS 56 HZ2 LYS 56 4.340 2.620 28.815 512 HZ3 LYS 56 HZ3 LYS 56 4.451 1.233 29.788 513 H LYS 57 HN LYS 57 2.564 -2.710 33.560 514 HA LYS 57 HA LYS 57 1.399 -2.707 36.155 515 HB2 LYS 57 HB2 LYS 57 1.339 -4.789 33.953 516 HB3 LYS 57 HB1 LYS 57 0.349 -4.851 35.410 517 HG2 LYS 57 HG2 LYS 57 0.343 -2.475 33.544 518 HG3 LYS 57 HG1 LYS 57 -0.773 -3.827 33.359 519 HD2 LYS 57 HD2 LYS 57 -1.585 -3.451 35.673 520 HD3 LYS 57 HD1 LYS 57 -0.496 -2.071 35.819 521 HE2 LYS 57 HE2 LYS 57 -1.625 -0.954 33.948 522 HE3 LYS 57 HE1 LYS 57 -2.705 -2.336 33.758 523 HZ1 LYS 57 HZ1 LYS 57 -2.462 -0.684 36.218 524 HZ2 LYS 57 HZ2 LYS 57 -3.543 -1.972 35.974 525 HZ3 LYS 57 HZ3 LYS 57 -3.704 -0.542 35.071 526 H ARG 58 HN ARG 58 3.806 -4.784 34.610 527 HA ARG 58 HA ARG 58 4.111 -6.625 36.725 528 HB2 ARG 58 HB2 ARG 58 4.985 -6.865 34.355 529 HB3 ARG 58 HB1 ARG 58 6.291 -5.776 34.822 530 HG2 ARG 58 HG2 ARG 58 6.465 -7.526 36.869 531 HG3 ARG 58 HG1 ARG 58 5.756 -8.595 35.661 532 HD2 ARG 58 HD2 ARG 58 8.156 -8.778 35.496 533 HD3 ARG 58 HD1 ARG 58 7.591 -7.883 34.084 534 HE ARG 58 HE ARG 58 8.690 -6.008 34.892 535 HH11 ARG 58 HH11 ARG 58 8.385 -8.363 37.450 536 HH12 ARG 58 HH12 ARG 58 9.407 -7.480 38.533 537 HH21 ARG 58 HH21 ARG 58 10.023 -4.891 36.354 538 HH22 ARG 58 HH22 ARG 58 10.312 -5.560 37.926 539 H GLU 59 HN GLU 59 5.743 -3.565 35.983 540 HA GLU 59 HA GLU 59 7.700 -3.676 38.006 541 HB2 GLU 59 HB2 GLU 59 6.380 -1.343 36.604 542 HB3 GLU 59 HB1 GLU 59 7.716 -1.166 37.740 543 HG2 GLU 59 HG2 GLU 59 9.173 -2.475 36.360 544 HG3 GLU 59 HG1 GLU 59 7.850 -2.960 35.308 545 H ASP 60 HN ASP 60 4.396 -2.404 37.981 546 HA ASP 60 HA ASP 60 4.439 -1.173 40.526 547 HB2 ASP 60 HB2 ASP 60 2.208 -2.291 38.839 548 HB3 ASP 60 HB1 ASP 60 1.921 -1.503 40.390 549 H ASP 61 HN ASP 61 3.582 -4.502 39.504 550 HA ASP 61 HA ASP 61 2.632 -5.415 41.967 551 HB2 ASP 61 HB2 ASP 61 3.910 -6.821 39.624 552 HB3 ASP 61 HB1 ASP 61 3.238 -7.669 41.016 553 H GLU 62 HN GLU 62 5.947 -5.262 40.613 554 HA GLU 62 HA GLU 62 7.191 -6.836 42.600 555 HB2 GLU 62 HB2 GLU 62 8.087 -6.300 40.308 556 HB3 GLU 62 HB1 GLU 62 8.419 -4.669 40.895 557 HG2 GLU 62 HG2 GLU 62 9.869 -5.552 42.646 558 HG3 GLU 62 HG1 GLU 62 9.480 -7.201 42.170 559 H LYS 63 HN LYS 63 6.637 -3.348 42.224 560 HA LYS 63 HA LYS 63 8.281 -2.470 44.316 561 HB2 LYS 63 HB2 LYS 63 5.735 -1.290 43.155 562 HB3 LYS 63 HB1 LYS 63 6.781 -0.449 44.299 563 HG2 LYS 63 HG2 LYS 63 8.660 -0.590 42.756 564 HG3 LYS 63 HG1 LYS 63 7.699 -1.533 41.621 565 HD2 LYS 63 HD2 LYS 63 6.104 0.386 41.445 566 HD3 LYS 63 HD1 LYS 63 7.178 1.330 42.478 567 HE2 LYS 63 HE2 LYS 63 7.955 0.095 39.818 568 HE3 LYS 63 HE1 LYS 63 7.568 1.795 40.071 569 HZ1 LYS 63 HZ1 LYS 63 9.388 1.579 41.904 570 HZ2 LYS 63 HZ2 LYS 63 9.829 1.821 40.282 571 HZ3 LYS 63 HZ3 LYS 63 9.907 0.267 40.963 572 H ARG 64 HN ARG 64 4.817 -3.502 44.328 573 HA ARG 64 HA ARG 64 4.552 -2.872 47.119 574 HB2 ARG 64 HB2 ARG 64 2.838 -4.382 45.147 575 HB3 ARG 64 HB1 ARG 64 2.377 -4.076 46.822 576 HG2 ARG 64 HG2 ARG 64 2.541 -1.669 46.468 577 HG3 ARG 64 HG1 ARG 64 3.099 -1.920 44.813 578 HD2 ARG 64 HD2 ARG 64 0.960 -3.041 44.270 579 HD3 ARG 64 HD1 ARG 64 0.409 -2.782 45.923 580 HE ARG 64 HE ARG 64 0.487 -0.823 43.815 581 HH11 ARG 64 HH11 ARG 64 0.652 -1.291 47.263 582 HH12 ARG 64 HH12 ARG 64 0.089 0.302 47.629 583 HH21 ARG 64 HH21 ARG 64 -0.246 1.253 44.319 584 HH22 ARG 64 HH22 ARG 64 -0.415 1.731 45.972 585 H ILE 65 HN ILE 65 6.469 -5.102 45.782 586 HA ILE 65 HA ILE 65 7.269 -7.129 46.332 587 HB ILE 65 HB ILE 65 7.660 -5.752 48.392 588 HG12 ILE 65 HG12 ILE 65 8.129 -7.849 49.809 589 HG13 ILE 65 HG11 ILE 65 7.448 -8.757 48.464 590 HG21 ILE 65 HG21 ILE 65 6.338 -6.741 50.432 591 HG22 ILE 65 HG22 ILE 65 5.106 -7.078 49.223 592 HG23 ILE 65 HG23 ILE 65 5.656 -5.430 49.484 593 HD11 ILE 65 HD11 ILE 65 9.946 -8.508 48.386 594 HD12 ILE 65 HD12 ILE 65 9.714 -6.775 48.152 595 HD13 ILE 65 HD13 ILE 65 9.117 -7.918 46.949 596 H GLN 66 HN GLN 66 4.475 -6.985 45.433 597 HA GLN 66 HA GLN 66 3.305 -9.260 46.887 598 HB2 GLN 66 HB2 GLN 66 1.216 -8.698 45.701 599 HB3 GLN 66 HB1 GLN 66 1.840 -7.327 46.619 600 HG2 GLN 66 HG2 GLN 66 2.848 -6.395 44.597 601 HG3 GLN 66 HG1 GLN 66 2.284 -7.776 43.655 602 HE21 GLN 66 HE21 GLN 66 0.820 -6.619 42.294 603 HE22 GLN 66 HE22 GLN 66 -0.556 -5.823 42.888 604 H ALA 67 HN ALA 67 4.642 -8.315 43.832 605 HA ALA 67 HA ALA 67 3.682 -10.430 42.231 606 HB1 ALA 67 HB1 ALA 67 4.926 -9.466 40.616 607 HB2 ALA 67 HB2 ALA 67 6.398 -9.517 41.583 608 HB3 ALA 67 HB3 ALA 67 5.245 -8.205 41.804 609 H GLU 68 HN GLU 68 6.497 -10.126 44.341 610 HA GLU 68 HA GLU 68 6.909 -13.042 44.101 611 HB2 GLU 68 HB2 GLU 68 9.000 -10.859 44.194 612 HB3 GLU 68 HB1 GLU 68 9.361 -12.565 44.451 613 HG2 GLU 68 HG2 GLU 68 8.487 -13.105 42.228 614 HG3 GLU 68 HG1 GLU 68 8.048 -11.421 41.971 Start of MODEL 3 1 HA LYS 1 HA LYS 1 -6.901 4.684 -49.947 2 HB2 LYS 1 HB2 LYS 1 -7.039 2.150 -49.746 3 HB3 LYS 1 HB1 LYS 1 -7.084 2.373 -48.000 4 HG2 LYS 1 HG2 LYS 1 -9.361 2.227 -48.666 5 HG3 LYS 1 HG1 LYS 1 -9.064 3.942 -48.397 6 HD2 LYS 1 HD2 LYS 1 -8.961 4.415 -50.710 7 HD3 LYS 1 HD1 LYS 1 -8.740 2.720 -51.135 8 HE2 LYS 1 HE2 LYS 1 -11.034 3.446 -51.641 9 HE3 LYS 1 HE1 LYS 1 -11.031 2.223 -50.373 10 HZ1 LYS 1 HZ1 LYS 1 -11.709 3.687 -48.824 11 HZ2 LYS 1 HZ2 LYS 1 -12.341 4.510 -50.166 12 HZ3 LYS 1 HZ3 LYS 1 -10.858 4.994 -49.495 13 H GLN 2 HN GLN 2 -8.215 5.977 -48.643 14 HA GLN 2 HA GLN 2 -6.995 7.261 -46.442 15 HB2 GLN 2 HB2 GLN 2 -9.850 7.260 -47.437 16 HB3 GLN 2 HB1 GLN 2 -9.278 8.287 -46.124 17 HG2 GLN 2 HG2 GLN 2 -7.622 9.312 -47.599 18 HG3 GLN 2 HG1 GLN 2 -8.096 8.239 -48.916 19 HE21 GLN 2 HE21 GLN 2 -8.616 11.333 -47.691 20 HE22 GLN 2 HE22 GLN 2 -10.117 11.645 -48.420 21 H GLN 3 HN GLN 3 -9.516 4.782 -46.637 22 HA GLN 3 HA GLN 3 -10.153 4.677 -43.889 23 HB2 GLN 3 HB2 GLN 3 -10.342 2.594 -46.081 24 HB3 GLN 3 HB1 GLN 3 -11.000 2.378 -44.458 25 HG2 GLN 3 HG2 GLN 3 -12.518 4.195 -44.714 26 HG3 GLN 3 HG1 GLN 3 -11.712 4.761 -46.175 27 HE21 GLN 3 HE21 GLN 3 -14.324 2.858 -45.065 28 HE22 GLN 3 HE22 GLN 3 -14.641 2.038 -46.517 29 H GLU 4 HN GLU 4 -7.739 2.970 -45.835 30 HA GLU 4 HA GLU 4 -6.838 1.198 -43.821 31 HB2 GLU 4 HB2 GLU 4 -5.469 2.314 -46.278 32 HB3 GLU 4 HB1 GLU 4 -4.772 1.061 -45.252 33 HG2 GLU 4 HG2 GLU 4 -6.643 -0.418 -45.689 34 HG3 GLU 4 HG1 GLU 4 -7.484 0.843 -46.586 35 H GLU 5 HN GLU 5 -5.801 4.445 -44.789 36 HA GLU 5 HA GLU 5 -3.574 4.640 -43.051 37 HB2 GLU 5 HB2 GLU 5 -5.346 6.682 -44.384 38 HB3 GLU 5 HB1 GLU 5 -4.013 7.156 -43.334 39 HG2 GLU 5 HG2 GLU 5 -3.689 5.311 -45.712 40 HG3 GLU 5 HG1 GLU 5 -3.426 7.052 -45.790 41 H GLU 6 HN GLU 6 -7.013 5.568 -42.687 42 HA GLU 6 HA GLU 6 -6.734 6.748 -40.164 43 HB2 GLU 6 HB2 GLU 6 -9.049 5.305 -41.472 44 HB3 GLU 6 HB1 GLU 6 -9.188 6.146 -39.929 45 HG2 GLU 6 HG2 GLU 6 -8.512 8.243 -40.961 46 HG3 GLU 6 HG1 GLU 6 -8.214 7.433 -42.496 47 H ALA 7 HN ALA 7 -7.409 3.386 -41.097 48 HA ALA 7 HA ALA 7 -7.772 2.322 -38.561 49 HB1 ALA 7 HB1 ALA 7 -8.124 1.083 -40.699 50 HB2 ALA 7 HB2 ALA 7 -7.162 0.164 -39.536 51 HB3 ALA 7 HB3 ALA 7 -6.373 0.972 -40.888 52 H GLU 8 HN GLU 8 -4.740 2.891 -40.350 53 HA GLU 8 HA GLU 8 -2.998 1.677 -38.474 54 HB2 GLU 8 HB2 GLU 8 -2.393 2.369 -40.803 55 HB3 GLU 8 HB1 GLU 8 -2.424 4.047 -40.272 56 HG2 GLU 8 HG2 GLU 8 -0.134 3.263 -40.192 57 HG3 GLU 8 HG1 GLU 8 -0.709 3.484 -38.545 58 H ARG 9 HN ARG 9 -4.242 4.984 -38.808 59 HA ARG 9 HA ARG 9 -2.753 6.086 -36.652 60 HB2 ARG 9 HB2 ARG 9 -5.435 6.954 -37.775 61 HB3 ARG 9 HB1 ARG 9 -4.421 7.908 -36.696 62 HG2 ARG 9 HG2 ARG 9 -3.483 6.859 -39.371 63 HG3 ARG 9 HG1 ARG 9 -4.159 8.468 -39.154 64 HD2 ARG 9 HD2 ARG 9 -2.357 8.965 -37.508 65 HD3 ARG 9 HD1 ARG 9 -1.683 7.362 -37.795 66 HE ARG 9 HE ARG 9 -1.446 9.653 -39.520 67 HH11 ARG 9 HH11 ARG 9 -1.507 6.158 -39.423 68 HH12 ARG 9 HH12 ARG 9 -0.581 5.998 -40.876 69 HH21 ARG 9 HH21 ARG 9 -0.235 9.391 -41.392 70 HH22 ARG 9 HH22 ARG 9 0.121 7.803 -41.982 71 H LEU 10 HN LEU 10 -5.982 4.650 -36.867 72 HA LEU 10 HA LEU 10 -6.788 5.043 -34.230 73 HB2 LEU 10 HB2 LEU 10 -8.306 4.377 -36.100 74 HB3 LEU 10 HB1 LEU 10 -7.594 2.761 -36.047 75 HG LEU 10 HG LEU 10 -8.221 2.703 -33.581 76 HD11 LEU 10 HD11 LEU 10 -8.572 5.025 -33.115 77 HD12 LEU 10 HD12 LEU 10 -10.146 4.239 -32.993 78 HD13 LEU 10 HD13 LEU 10 -9.738 5.178 -34.429 79 HD21 LEU 10 HD21 LEU 10 -9.495 1.512 -35.333 80 HD22 LEU 10 HD22 LEU 10 -10.485 2.951 -35.586 81 HD23 LEU 10 HD23 LEU 10 -10.550 2.092 -34.045 82 H ARG 11 HN ARG 11 -4.847 2.524 -35.724 83 HA ARG 11 HA ARG 11 -4.969 0.617 -33.610 84 HB2 ARG 11 HB2 ARG 11 -4.272 0.105 -35.950 85 HB3 ARG 11 HB1 ARG 11 -2.792 1.023 -35.673 86 HG2 ARG 11 HG2 ARG 11 -2.247 -0.465 -33.766 87 HG3 ARG 11 HG1 ARG 11 -3.687 -1.422 -34.114 88 HD2 ARG 11 HD2 ARG 11 -1.422 -0.934 -36.067 89 HD3 ARG 11 HD1 ARG 11 -1.610 -2.396 -35.103 90 HE ARG 11 HE ARG 11 -3.988 -2.184 -36.418 91 HH11 ARG 11 HH11 ARG 11 -0.656 -2.157 -37.450 92 HH12 ARG 11 HH12 ARG 11 -1.011 -2.847 -38.996 93 HH21 ARG 11 HH21 ARG 11 -4.411 -3.089 -38.435 94 HH22 ARG 11 HH22 ARG 11 -3.116 -3.375 -39.546 95 H ARG 12 HN ARG 12 -2.740 3.271 -34.404 96 HA ARG 12 HA ARG 12 -0.833 2.737 -32.386 97 HB2 ARG 12 HB2 ARG 12 -1.574 5.270 -33.865 98 HB3 ARG 12 HB1 ARG 12 -0.236 5.171 -32.726 99 HG2 ARG 12 HG2 ARG 12 -0.480 3.215 -35.012 100 HG3 ARG 12 HG1 ARG 12 0.290 4.782 -35.232 101 HD2 ARG 12 HD2 ARG 12 1.932 4.296 -33.547 102 HD3 ARG 12 HD1 ARG 12 1.102 2.822 -33.067 103 HE ARG 12 HE ARG 12 2.720 3.232 -35.472 104 HH11 ARG 12 HH11 ARG 12 0.597 1.108 -33.667 105 HH12 ARG 12 HH12 ARG 12 1.098 -0.295 -34.543 106 HH21 ARG 12 HH21 ARG 12 3.320 1.376 -36.577 107 HH22 ARG 12 HH22 ARG 12 2.603 -0.147 -36.169 108 H ILE 13 HN ILE 13 -3.781 4.711 -32.464 109 HA ILE 13 HA ILE 13 -3.418 5.964 -29.965 110 HB ILE 13 HB ILE 13 -5.937 5.274 -31.497 111 HG12 ILE 13 HG12 ILE 13 -4.558 7.950 -31.157 112 HG13 ILE 13 HG11 ILE 13 -4.185 6.861 -32.492 113 HG21 ILE 13 HG21 ILE 13 -5.499 7.015 -29.051 114 HG22 ILE 13 HG22 ILE 13 -6.557 5.612 -29.184 115 HG23 ILE 13 HG23 ILE 13 -6.949 7.094 -30.055 116 HD11 ILE 13 HD11 ILE 13 -6.440 6.952 -33.310 117 HD12 ILE 13 HD12 ILE 13 -5.939 8.617 -33.011 118 HD13 ILE 13 HD13 ILE 13 -6.995 7.794 -31.862 119 H GLN 14 HN GLN 14 -5.053 2.895 -30.875 120 HA GLN 14 HA GLN 14 -6.082 2.271 -28.367 121 HB2 GLN 14 HB2 GLN 14 -6.669 1.165 -30.544 122 HB3 GLN 14 HB1 GLN 14 -5.115 0.333 -30.478 123 HG2 GLN 14 HG2 GLN 14 -5.728 -0.679 -28.328 124 HG3 GLN 14 HG1 GLN 14 -7.273 0.167 -28.357 125 HE21 GLN 14 HE21 GLN 14 -6.615 -2.820 -28.470 126 HE22 GLN 14 HE22 GLN 14 -7.435 -3.375 -29.850 127 H GLU 15 HN GLU 15 -2.885 1.643 -29.786 128 HA GLU 15 HA GLU 15 -1.915 -0.133 -27.805 129 HB2 GLU 15 HB2 GLU 15 -0.515 1.736 -29.729 130 HB3 GLU 15 HB1 GLU 15 0.303 0.528 -28.744 131 HG2 GLU 15 HG2 GLU 15 -0.903 -1.267 -29.816 132 HG3 GLU 15 HG1 GLU 15 -1.927 -0.128 -30.680 133 H GLU 16 HN GLU 16 -1.783 3.405 -28.192 134 HA GLU 16 HA GLU 16 -0.037 3.892 -26.025 135 HB2 GLU 16 HB2 GLU 16 -2.098 5.626 -27.386 136 HB3 GLU 16 HB1 GLU 16 -1.046 6.208 -26.097 137 HG2 GLU 16 HG2 GLU 16 -0.063 4.938 -28.664 138 HG3 GLU 16 HG1 GLU 16 -0.132 6.674 -28.376 139 H MET 17 HN MET 17 -3.598 3.741 -26.234 140 HA MET 17 HA MET 17 -4.160 4.561 -23.626 141 HB2 MET 17 HB2 MET 17 -5.823 4.345 -25.482 142 HB3 MET 17 HB1 MET 17 -5.714 2.591 -25.314 143 HG2 MET 17 HG2 MET 17 -6.448 2.764 -22.967 144 HG3 MET 17 HG1 MET 17 -6.558 4.516 -23.128 145 HE1 MET 17 HE1 MET 17 -9.161 1.285 -25.043 146 HE2 MET 17 HE2 MET 17 -7.719 1.101 -24.049 147 HE3 MET 17 HE3 MET 17 -7.566 1.620 -25.725 148 H GLU 18 HN GLU 18 -3.408 1.362 -24.954 149 HA GLU 18 HA GLU 18 -4.066 -0.161 -22.656 150 HB2 GLU 18 HB2 GLU 18 -3.726 -1.152 -24.891 151 HB3 GLU 18 HB1 GLU 18 -2.018 -0.725 -24.816 152 HG2 GLU 18 HG2 GLU 18 -1.733 -2.138 -22.837 153 HG3 GLU 18 HG1 GLU 18 -3.442 -2.558 -22.866 154 H LYS 19 HN LYS 19 -1.040 1.379 -23.718 155 HA LYS 19 HA LYS 19 0.607 0.377 -21.654 156 HB2 LYS 19 HB2 LYS 19 0.718 2.900 -23.314 157 HB3 LYS 19 HB1 LYS 19 1.991 2.433 -22.189 158 HG2 LYS 19 HG2 LYS 19 2.674 0.638 -23.460 159 HG3 LYS 19 HG1 LYS 19 1.084 0.381 -24.172 160 HD2 LYS 19 HD2 LYS 19 2.458 1.229 -25.923 161 HD3 LYS 19 HD1 LYS 19 1.429 2.567 -25.424 162 HE2 LYS 19 HE2 LYS 19 3.267 3.416 -23.983 163 HE3 LYS 19 HE1 LYS 19 4.302 2.112 -24.567 164 HZ1 LYS 19 HZ1 LYS 19 2.996 4.117 -26.327 165 HZ2 LYS 19 HZ2 LYS 19 4.141 2.951 -26.785 166 HZ3 LYS 19 HZ3 LYS 19 4.593 4.240 -25.772 167 H GLU 20 HN GLU 20 -1.385 3.300 -21.901 168 HA GLU 20 HA GLU 20 -0.638 4.458 -19.431 169 HB2 GLU 20 HB2 GLU 20 -1.847 5.678 -21.235 170 HB3 GLU 20 HB1 GLU 20 -3.287 4.728 -20.873 171 HG2 GLU 20 HG2 GLU 20 -3.456 6.841 -19.697 172 HG3 GLU 20 HG1 GLU 20 -3.187 5.562 -18.521 173 H ARG 21 HN ARG 21 -3.222 2.221 -20.352 174 HA ARG 21 HA ARG 21 -4.541 2.129 -17.866 175 HB2 ARG 21 HB2 ARG 21 -5.481 1.216 -19.978 176 HB3 ARG 21 HB1 ARG 21 -4.292 -0.086 -19.918 177 HG2 ARG 21 HG2 ARG 21 -5.188 -0.827 -17.752 178 HG3 ARG 21 HG1 ARG 21 -6.372 0.482 -17.783 179 HD2 ARG 21 HD2 ARG 21 -7.266 -0.432 -19.925 180 HD3 ARG 21 HD1 ARG 21 -6.144 -1.781 -19.786 181 HE ARG 21 HE ARG 21 -7.628 -1.663 -17.416 182 HH11 ARG 21 HH11 ARG 21 -8.145 -2.272 -20.810 183 HH12 ARG 21 HH12 ARG 21 -9.493 -3.321 -20.534 184 HH21 ARG 21 HH21 ARG 21 -9.381 -3.032 -17.091 185 HH22 ARG 21 HH22 ARG 21 -10.188 -3.748 -18.444 186 H LYS 22 HN LYS 22 -1.866 0.189 -19.179 187 HA LYS 22 HA LYS 22 -1.629 -1.613 -17.021 188 HB2 LYS 22 HB2 LYS 22 0.360 -0.625 -19.073 189 HB3 LYS 22 HB1 LYS 22 0.734 -1.885 -17.896 190 HG2 LYS 22 HG2 LYS 22 -1.094 -3.268 -18.733 191 HG3 LYS 22 HG1 LYS 22 -1.585 -1.991 -19.847 192 HD2 LYS 22 HD2 LYS 22 0.535 -2.154 -21.037 193 HD3 LYS 22 HD1 LYS 22 1.125 -3.351 -19.885 194 HE2 LYS 22 HE2 LYS 22 -0.567 -4.939 -20.578 195 HE3 LYS 22 HE1 LYS 22 -1.343 -3.739 -21.606 196 HZ1 LYS 22 HZ1 LYS 22 1.175 -3.704 -22.529 197 HZ2 LYS 22 HZ2 LYS 22 -0.076 -4.645 -23.183 198 HZ3 LYS 22 HZ3 LYS 22 1.020 -5.335 -22.083 199 H ARG 23 HN ARG 23 -0.144 1.530 -17.662 200 HA ARG 23 HA ARG 23 1.626 1.561 -15.463 201 HB2 ARG 23 HB2 ARG 23 1.687 3.147 -17.406 202 HB3 ARG 23 HB1 ARG 23 0.255 3.936 -16.744 203 HG2 ARG 23 HG2 ARG 23 1.423 4.546 -14.727 204 HG3 ARG 23 HG1 ARG 23 2.818 3.569 -15.180 205 HD2 ARG 23 HD2 ARG 23 3.345 5.870 -15.680 206 HD3 ARG 23 HD1 ARG 23 3.110 5.014 -17.198 207 HE ARG 23 HE ARG 23 0.658 6.160 -16.458 208 HH11 ARG 23 HH11 ARG 23 3.848 7.133 -17.481 209 HH12 ARG 23 HH12 ARG 23 3.288 8.598 -18.213 210 HH21 ARG 23 HH21 ARG 23 -0.032 8.069 -17.419 211 HH22 ARG 23 HH22 ARG 23 1.109 9.123 -18.179 212 H ARG 24 HN ARG 24 -1.753 2.646 -15.815 213 HA ARG 24 HA ARG 24 -2.003 3.788 -13.244 214 HB2 ARG 24 HB2 ARG 24 -3.600 4.024 -15.202 215 HB3 ARG 24 HB1 ARG 24 -4.192 2.411 -14.806 216 HG2 ARG 24 HG2 ARG 24 -4.378 3.513 -12.360 217 HG3 ARG 24 HG1 ARG 24 -4.508 4.986 -13.318 218 HD2 ARG 24 HD2 ARG 24 -6.741 4.206 -12.994 219 HD3 ARG 24 HD1 ARG 24 -6.321 3.790 -14.655 220 HE ARG 24 HE ARG 24 -6.383 1.547 -14.072 221 HH11 ARG 24 HH11 ARG 24 -6.269 3.485 -11.169 222 HH12 ARG 24 HH12 ARG 24 -6.573 2.134 -10.128 223 HH21 ARG 24 HH21 ARG 24 -6.771 -0.180 -12.674 224 HH22 ARG 24 HH22 ARG 24 -6.830 0.090 -10.967 225 H GLU 25 HN GLU 25 -2.579 0.509 -14.488 226 HA GLU 25 HA GLU 25 -3.630 -0.594 -12.117 227 HB2 GLU 25 HB2 GLU 25 -2.098 -1.855 -14.405 228 HB3 GLU 25 HB1 GLU 25 -2.849 -2.781 -13.105 229 HG2 GLU 25 HG2 GLU 25 -4.336 -0.813 -14.863 230 HG3 GLU 25 HG1 GLU 25 -4.293 -2.549 -15.152 231 H GLU 26 HN GLU 26 -0.320 -0.318 -13.340 232 HA GLU 26 HA GLU 26 0.949 -1.775 -11.273 233 HB2 GLU 26 HB2 GLU 26 1.995 -1.094 -13.464 234 HB3 GLU 26 HB1 GLU 26 2.116 0.545 -12.830 235 HG2 GLU 26 HG2 GLU 26 3.539 -0.196 -11.020 236 HG3 GLU 26 HG1 GLU 26 3.312 -1.882 -11.472 237 H ASP 27 HN ASP 27 0.195 1.664 -11.639 238 HA ASP 27 HA ASP 27 1.421 2.570 -9.259 239 HB2 ASP 27 HB2 ASP 27 -0.690 3.657 -11.083 240 HB3 ASP 27 HB1 ASP 27 -0.420 4.428 -9.523 241 H GLU 28 HN GLU 28 -1.838 1.404 -9.973 242 HA GLU 28 HA GLU 28 -2.975 1.962 -7.445 243 HB2 GLU 28 HB2 GLU 28 -4.212 1.333 -9.573 244 HB3 GLU 28 HB1 GLU 28 -3.736 -0.334 -9.255 245 HG2 GLU 28 HG2 GLU 28 -4.917 -0.367 -7.168 246 HG3 GLU 28 HG1 GLU 28 -5.197 1.373 -7.228 247 H GLN 29 HN GLN 29 -1.311 -0.901 -8.731 248 HA GLN 29 HA GLN 29 -1.664 -2.551 -6.476 249 HB2 GLN 29 HB2 GLN 29 -0.848 -3.288 -8.741 250 HB3 GLN 29 HB1 GLN 29 0.711 -2.564 -8.352 251 HG2 GLN 29 HG2 GLN 29 0.802 -4.933 -7.824 252 HG3 GLN 29 HG1 GLN 29 0.825 -4.016 -6.320 253 HE21 GLN 29 HE21 GLN 29 -0.284 -5.429 -4.898 254 HE22 GLN 29 HE22 GLN 29 -1.854 -6.007 -5.187 255 H ARG 30 HN ARG 30 0.885 -0.233 -7.318 256 HA ARG 30 HA ARG 30 2.587 -0.749 -5.120 257 HB2 ARG 30 HB2 ARG 30 2.164 1.739 -6.795 258 HB3 ARG 30 HB1 ARG 30 3.450 1.567 -5.597 259 HG2 ARG 30 HG2 ARG 30 4.350 -0.365 -6.771 260 HG3 ARG 30 HG1 ARG 30 3.021 -0.323 -7.932 261 HD2 ARG 30 HD2 ARG 30 3.735 2.006 -8.557 262 HD3 ARG 30 HD1 ARG 30 5.138 1.802 -7.514 263 HE ARG 30 HE ARG 30 5.101 -0.346 -9.307 264 HH11 ARG 30 HH11 ARG 30 5.425 3.127 -9.409 265 HH12 ARG 30 HH12 ARG 30 6.402 3.105 -10.836 266 HH21 ARG 30 HH21 ARG 30 6.354 -0.329 -11.179 267 HH22 ARG 30 HH22 ARG 30 6.925 1.168 -11.824 268 H ARG 31 HN ARG 31 -0.110 1.505 -5.572 269 HA ARG 31 HA ARG 31 0.110 2.836 -3.088 270 HB2 ARG 31 HB2 ARG 31 -2.266 2.342 -4.900 271 HB3 ARG 31 HB1 ARG 31 -2.321 3.383 -3.477 272 HG2 ARG 31 HG2 ARG 31 -0.269 3.756 -5.664 273 HG3 ARG 31 HG1 ARG 31 -1.847 4.540 -5.716 274 HD2 ARG 31 HD2 ARG 31 -1.384 5.569 -3.503 275 HD3 ARG 31 HD1 ARG 31 0.219 4.837 -3.511 276 HE ARG 31 HE ARG 31 0.901 6.443 -5.025 277 HH11 ARG 31 HH11 ARG 31 -2.584 6.410 -4.873 278 HH12 ARG 31 HH12 ARG 31 -2.751 7.842 -5.830 279 HH21 ARG 31 HH21 ARG 31 0.646 8.295 -6.269 280 HH22 ARG 31 HH22 ARG 31 -0.939 8.897 -6.614 281 H ARG 32 HN ARG 32 -1.681 -0.044 -4.087 282 HA ARG 32 HA ARG 32 -3.045 -0.476 -1.639 283 HB2 ARG 32 HB2 ARG 32 -2.155 -2.375 -3.825 284 HB3 ARG 32 HB1 ARG 32 -3.156 -2.871 -2.457 285 HG2 ARG 32 HG2 ARG 32 -4.896 -1.320 -3.069 286 HG3 ARG 32 HG1 ARG 32 -3.878 -0.582 -4.309 287 HD2 ARG 32 HD2 ARG 32 -3.803 -2.736 -5.518 288 HD3 ARG 32 HD1 ARG 32 -4.844 -3.457 -4.295 289 HE ARG 32 HE ARG 32 -6.254 -1.286 -5.204 290 HH11 ARG 32 HH11 ARG 32 -4.779 -4.058 -6.729 291 HH12 ARG 32 HH12 ARG 32 -5.927 -4.094 -8.023 292 HH21 ARG 32 HH21 ARG 32 -7.728 -1.370 -6.900 293 HH22 ARG 32 HH22 ARG 32 -7.572 -2.581 -8.124 294 H LYS 33 HN LYS 33 0.082 -1.610 -2.856 295 HA LYS 33 HA LYS 33 0.763 -3.223 -0.643 296 HB2 LYS 33 HB2 LYS 33 2.463 -1.785 -2.684 297 HB3 LYS 33 HB1 LYS 33 3.150 -2.821 -1.434 298 HG2 LYS 33 HG2 LYS 33 0.931 -3.800 -3.231 299 HG3 LYS 33 HG1 LYS 33 2.615 -3.891 -3.738 300 HD2 LYS 33 HD2 LYS 33 1.746 -4.977 -1.055 301 HD3 LYS 33 HD1 LYS 33 1.591 -5.945 -2.519 302 HE2 LYS 33 HE2 LYS 33 4.170 -4.649 -1.598 303 HE3 LYS 33 HE1 LYS 33 3.746 -6.336 -1.307 304 HZ1 LYS 33 HZ1 LYS 33 3.333 -6.272 -3.884 305 HZ2 LYS 33 HZ2 LYS 33 4.884 -6.541 -3.249 306 HZ3 LYS 33 HZ3 LYS 33 4.450 -4.998 -3.812 307 H GLU 34 HN GLU 34 1.359 0.185 -1.341 308 HA GLU 34 HA GLU 34 2.979 0.769 0.886 309 HB2 GLU 34 HB2 GLU 34 2.566 2.237 -1.141 310 HB3 GLU 34 HB1 GLU 34 1.012 2.656 -0.424 311 HG2 GLU 34 HG2 GLU 34 2.179 3.468 1.600 312 HG3 GLU 34 HG1 GLU 34 3.723 3.085 0.850 313 H GLU 35 HN GLU 35 -0.545 0.845 0.467 314 HA GLU 35 HA GLU 35 -1.198 1.915 3.005 315 HB2 GLU 35 HB2 GLU 35 -2.756 0.161 1.097 316 HB3 GLU 35 HB1 GLU 35 -3.441 0.853 2.565 317 HG2 GLU 35 HG2 GLU 35 -2.935 3.113 1.768 318 HG3 GLU 35 HG1 GLU 35 -2.173 2.452 0.324 319 H GLU 36 HN GLU 36 -0.780 -1.357 1.831 320 HA GLU 36 HA GLU 36 -1.600 -2.713 4.201 321 HB2 GLU 36 HB2 GLU 36 -1.340 -3.799 1.943 322 HB3 GLU 36 HB1 GLU 36 0.405 -3.725 2.175 323 HG2 GLU 36 HG2 GLU 36 0.197 -5.055 4.237 324 HG3 GLU 36 HG1 GLU 36 -1.550 -5.121 4.024 325 H GLU 37 HN GLU 37 1.557 -1.633 3.012 326 HA GLU 37 HA GLU 37 3.125 -2.658 5.117 327 HB2 GLU 37 HB2 GLU 37 3.526 -0.297 3.274 328 HB3 GLU 37 HB1 GLU 37 4.746 -0.838 4.427 329 HG2 GLU 37 HG2 GLU 37 4.825 -3.032 3.376 330 HG3 GLU 37 HG1 GLU 37 3.513 -2.596 2.286 331 H ARG 38 HN ARG 38 1.478 0.465 4.700 332 HA ARG 38 HA ARG 38 2.467 1.660 7.065 333 HB2 ARG 38 HB2 ARG 38 0.070 2.123 5.332 334 HB3 ARG 38 HB1 ARG 38 0.193 2.969 6.874 335 HG2 ARG 38 HG2 ARG 38 2.627 3.548 5.987 336 HG3 ARG 38 HG1 ARG 38 1.916 3.180 4.415 337 HD2 ARG 38 HD2 ARG 38 0.127 4.827 4.832 338 HD3 ARG 38 HD1 ARG 38 0.823 5.180 6.409 339 HE ARG 38 HE ARG 38 2.553 6.351 5.373 340 HH11 ARG 38 HH11 ARG 38 0.599 4.709 2.980 341 HH12 ARG 38 HH12 ARG 38 1.323 5.568 1.662 342 HH21 ARG 38 HH21 ARG 38 3.448 7.439 3.611 343 HH22 ARG 38 HH22 ARG 38 2.917 7.055 2.007 344 H ARG 39 HN ARG 39 -0.507 -0.241 6.430 345 HA ARG 39 HA ARG 39 -1.582 -0.063 8.982 346 HB2 ARG 39 HB2 ARG 39 -2.742 -0.999 6.984 347 HB3 ARG 39 HB1 ARG 39 -1.710 -2.425 7.087 348 HG2 ARG 39 HG2 ARG 39 -2.555 -2.861 9.376 349 HG3 ARG 39 HG1 ARG 39 -3.615 -1.459 9.237 350 HD2 ARG 39 HD2 ARG 39 -4.901 -3.445 8.706 351 HD3 ARG 39 HD1 ARG 39 -4.670 -2.504 7.236 352 HE ARG 39 HE ARG 39 -2.600 -4.415 7.461 353 HH11 ARG 39 HH11 ARG 39 -6.020 -4.201 6.822 354 HH12 ARG 39 HH12 ARG 39 -6.045 -5.632 5.850 355 HH21 ARG 39 HH21 ARG 39 -2.667 -6.272 6.186 356 HH22 ARG 39 HH22 ARG 39 -4.162 -6.793 5.493 357 H MET 40 HN MET 40 0.777 -2.377 7.637 358 HA MET 40 HA MET 40 0.926 -4.087 9.862 359 HB2 MET 40 HB2 MET 40 2.905 -3.364 7.695 360 HB3 MET 40 HB1 MET 40 3.257 -4.573 8.928 361 HG2 MET 40 HG2 MET 40 0.820 -4.660 7.130 362 HG3 MET 40 HG1 MET 40 2.315 -5.535 6.799 363 HE1 MET 40 HE1 MET 40 3.360 -6.665 9.587 364 HE2 MET 40 HE2 MET 40 3.279 -7.274 7.935 365 HE3 MET 40 HE3 MET 40 2.638 -8.244 9.259 366 H LYS 41 HN LYS 41 2.717 -1.125 9.051 367 HA LYS 41 HA LYS 41 4.501 -1.179 11.246 368 HB2 LYS 41 HB2 LYS 41 3.407 1.109 9.594 369 HB3 LYS 41 HB1 LYS 41 4.663 1.304 10.815 370 HG2 LYS 41 HG2 LYS 41 6.080 -0.329 9.630 371 HG3 LYS 41 HG1 LYS 41 4.824 -0.532 8.407 372 HD2 LYS 41 HD2 LYS 41 5.001 1.856 7.823 373 HD3 LYS 41 HD1 LYS 41 6.256 2.064 9.045 374 HE2 LYS 41 HE2 LYS 41 7.682 0.434 7.866 375 HE3 LYS 41 HE1 LYS 41 6.429 0.215 6.645 376 HZ1 LYS 41 HZ1 LYS 41 7.842 2.757 7.257 377 HZ2 LYS 41 HZ2 LYS 41 6.604 2.572 6.108 378 HZ3 LYS 41 HZ3 LYS 41 8.091 1.782 5.892 379 H LEU 42 HN LEU 42 1.283 0.210 10.809 380 HA LEU 42 HA LEU 42 1.137 1.549 13.303 381 HB2 LEU 42 HB2 LEU 42 -0.439 1.955 11.422 382 HB3 LEU 42 HB1 LEU 42 -1.145 0.365 11.699 383 HG LEU 42 HG LEU 42 -1.622 1.099 14.072 384 HD11 LEU 42 HD11 LEU 42 -0.125 2.924 14.370 385 HD12 LEU 42 HD12 LEU 42 -1.736 3.642 14.328 386 HD13 LEU 42 HD13 LEU 42 -0.693 3.728 12.907 387 HD21 LEU 42 HD21 LEU 42 -3.597 2.444 13.430 388 HD22 LEU 42 HD22 LEU 42 -3.370 1.070 12.349 389 HD23 LEU 42 HD23 LEU 42 -2.903 2.689 11.827 390 H GLU 43 HN GLU 43 0.182 -1.701 12.282 391 HA GLU 43 HA GLU 43 -0.945 -2.556 14.718 392 HB2 GLU 43 HB2 GLU 43 0.374 -4.095 12.473 393 HB3 GLU 43 HB1 GLU 43 -0.412 -4.869 13.847 394 HG2 GLU 43 HG2 GLU 43 -1.770 -2.877 12.015 395 HG3 GLU 43 HG1 GLU 43 -1.916 -4.627 11.857 396 H MET 44 HN MET 44 2.354 -2.682 13.469 397 HA MET 44 HA MET 44 3.497 -4.202 15.553 398 HB2 MET 44 HB2 MET 44 4.661 -2.167 13.649 399 HB3 MET 44 HB1 MET 44 5.648 -3.019 14.837 400 HG2 MET 44 HG2 MET 44 4.958 -5.177 13.902 401 HG3 MET 44 HG1 MET 44 3.911 -4.359 12.742 402 HE1 MET 44 HE1 MET 44 5.033 -5.882 11.127 403 HE2 MET 44 HE2 MET 44 6.429 -6.477 12.023 404 HE3 MET 44 HE3 MET 44 6.659 -5.700 10.459 405 H GLU 45 HN GLU 45 3.072 -0.714 15.168 406 HA GLU 45 HA GLU 45 4.423 0.117 17.502 407 HB2 GLU 45 HB2 GLU 45 2.145 1.390 15.966 408 HB3 GLU 45 HB1 GLU 45 3.020 2.186 17.275 409 HG2 GLU 45 HG2 GLU 45 4.327 1.077 14.779 410 HG3 GLU 45 HG1 GLU 45 3.903 2.770 15.007 411 H ALA 46 HN ALA 46 1.061 -0.796 16.908 412 HA ALA 46 HA ALA 46 0.029 -0.165 19.465 413 HB1 ALA 46 HB1 ALA 46 -1.384 -0.664 17.480 414 HB2 ALA 46 HB2 ALA 46 -1.832 -1.631 18.884 415 HB3 ALA 46 HB3 ALA 46 -0.890 -2.353 17.581 416 H LYS 47 HN LYS 47 1.434 -3.152 18.145 417 HA LYS 47 HA LYS 47 1.040 -4.773 20.397 418 HB2 LYS 47 HB2 LYS 47 3.202 -4.823 18.280 419 HB3 LYS 47 HB1 LYS 47 3.001 -6.085 19.498 420 HG2 LYS 47 HG2 LYS 47 0.697 -6.479 18.725 421 HG3 LYS 47 HG1 LYS 47 0.879 -5.209 17.513 422 HD2 LYS 47 HD2 LYS 47 2.730 -6.470 16.470 423 HD3 LYS 47 HD1 LYS 47 2.538 -7.744 17.676 424 HE2 LYS 47 HE2 LYS 47 0.230 -8.137 16.907 425 HE3 LYS 47 HE1 LYS 47 0.407 -6.857 15.708 426 HZ1 LYS 47 HZ1 LYS 47 0.805 -8.978 14.687 427 HZ2 LYS 47 HZ2 LYS 47 1.978 -9.372 15.850 428 HZ3 LYS 47 HZ3 LYS 47 2.264 -8.115 14.744 429 H ARG 48 HN ARG 48 3.751 -2.623 19.548 430 HA ARG 48 HA ARG 48 5.402 -3.218 21.750 431 HB2 ARG 48 HB2 ARG 48 6.036 -1.908 19.678 432 HB3 ARG 48 HB1 ARG 48 5.186 -0.529 20.380 433 HG2 ARG 48 HG2 ARG 48 6.614 -0.780 22.430 434 HG3 ARG 48 HG1 ARG 48 7.551 -2.001 21.572 435 HD2 ARG 48 HD2 ARG 48 7.180 0.900 20.804 436 HD3 ARG 48 HD1 ARG 48 8.662 0.150 21.368 437 HE ARG 48 HE ARG 48 8.516 -1.240 19.257 438 HH11 ARG 48 HH11 ARG 48 7.131 1.980 19.393 439 HH12 ARG 48 HH12 ARG 48 7.253 2.196 17.685 440 HH21 ARG 48 HH21 ARG 48 8.665 -0.865 17.043 441 HH22 ARG 48 HH22 ARG 48 8.076 0.624 16.386 442 H LYS 49 HN LYS 49 2.850 -0.841 21.278 443 HA LYS 49 HA LYS 49 3.137 0.524 23.733 444 HB2 LYS 49 HB2 LYS 49 1.732 1.368 21.861 445 HB3 LYS 49 HB1 LYS 49 0.575 0.076 22.170 446 HG2 LYS 49 HG2 LYS 49 -0.292 1.975 23.299 447 HG3 LYS 49 HG1 LYS 49 0.421 0.971 24.557 448 HD2 LYS 49 HD2 LYS 49 2.576 2.439 24.080 449 HD3 LYS 49 HD1 LYS 49 1.401 3.564 23.404 450 HE2 LYS 49 HE2 LYS 49 1.635 4.191 25.684 451 HE3 LYS 49 HE1 LYS 49 0.110 3.305 25.604 452 HZ1 LYS 49 HZ1 LYS 49 2.681 2.492 26.757 453 HZ2 LYS 49 HZ2 LYS 49 1.695 1.290 26.079 454 HZ3 LYS 49 HZ3 LYS 49 1.108 2.248 27.348 455 H GLN 50 HN GLN 50 1.184 -2.296 22.829 456 HA GLN 50 HA GLN 50 -0.103 -2.650 25.320 457 HB2 GLN 50 HB2 GLN 50 -0.764 -3.781 23.186 458 HB3 GLN 50 HB1 GLN 50 0.658 -4.809 23.339 459 HG2 GLN 50 HG2 GLN 50 -1.248 -6.002 24.251 460 HG3 GLN 50 HG1 GLN 50 -0.187 -5.545 25.580 461 HE21 GLN 50 HE21 GLN 50 -1.664 -5.173 27.285 462 HE22 GLN 50 HE22 GLN 50 -2.963 -4.086 27.184 463 H GLU 51 HN GLU 51 2.931 -3.927 24.003 464 HA GLU 51 HA GLU 51 3.613 -5.607 26.149 465 HB2 GLU 51 HB2 GLU 51 4.730 -5.623 23.916 466 HB3 GLU 51 HB1 GLU 51 5.498 -4.091 24.328 467 HG2 GLU 51 HG2 GLU 51 6.555 -5.167 26.292 468 HG3 GLU 51 HG1 GLU 51 5.821 -6.698 25.836 469 H GLU 52 HN GLU 52 4.283 -2.171 25.544 470 HA GLU 52 HA GLU 52 6.001 -1.707 27.721 471 HB2 GLU 52 HB2 GLU 52 5.646 -0.135 25.813 472 HB3 GLU 52 HB1 GLU 52 4.045 0.230 26.455 473 HG2 GLU 52 HG2 GLU 52 5.144 0.928 28.605 474 HG3 GLU 52 HG1 GLU 52 6.707 0.724 27.817 475 H GLU 53 HN GLU 53 2.481 -1.553 27.425 476 HA GLU 53 HA GLU 53 1.942 -0.462 29.979 477 HB2 GLU 53 HB2 GLU 53 0.388 -0.961 27.838 478 HB3 GLU 53 HB1 GLU 53 -0.019 -2.380 28.804 479 HG2 GLU 53 HG2 GLU 53 -1.587 -0.691 29.434 480 HG3 GLU 53 HG1 GLU 53 -0.416 -0.782 30.747 481 H GLU 54 HN GLU 54 2.183 -3.808 28.820 482 HA GLU 54 HA GLU 54 1.496 -5.104 31.222 483 HB2 GLU 54 HB2 GLU 54 3.206 -5.945 28.879 484 HB3 GLU 54 HB1 GLU 54 2.852 -7.014 30.235 485 HG2 GLU 54 HG2 GLU 54 0.723 -5.631 28.587 486 HG3 GLU 54 HG1 GLU 54 1.276 -7.277 28.287 487 H ARG 55 HN ARG 55 4.600 -3.964 29.952 488 HA ARG 55 HA ARG 55 6.251 -5.071 31.957 489 HB2 ARG 55 HB2 ARG 55 6.550 -2.627 30.204 490 HB3 ARG 55 HB1 ARG 55 7.819 -3.184 31.297 491 HG2 ARG 55 HG2 ARG 55 7.910 -5.340 30.167 492 HG3 ARG 55 HG1 ARG 55 6.535 -4.902 29.152 493 HD2 ARG 55 HD2 ARG 55 8.619 -4.585 27.906 494 HD3 ARG 55 HD1 ARG 55 7.829 -3.038 28.192 495 HE ARG 55 HE ARG 55 9.735 -3.633 30.238 496 HH11 ARG 55 HH11 ARG 55 9.429 -2.488 26.958 497 HH12 ARG 55 HH12 ARG 55 10.904 -1.584 27.015 498 HH21 ARG 55 HH21 ARG 55 11.643 -2.445 30.280 499 HH22 ARG 55 HH22 ARG 55 12.148 -1.563 28.880 500 H LYS 56 HN LYS 56 4.595 -1.948 31.759 501 HA LYS 56 HA LYS 56 5.597 -0.812 34.150 502 HB2 LYS 56 HB2 LYS 56 4.385 0.451 32.368 503 HB3 LYS 56 HB1 LYS 56 2.890 -0.331 32.876 504 HG2 LYS 56 HG2 LYS 56 3.164 0.610 35.141 505 HG3 LYS 56 HG1 LYS 56 4.655 1.399 34.632 506 HD2 LYS 56 HD2 LYS 56 2.015 1.885 33.243 507 HD3 LYS 56 HD1 LYS 56 2.550 2.852 34.615 508 HE2 LYS 56 HE2 LYS 56 4.669 3.348 33.353 509 HE3 LYS 56 HE1 LYS 56 3.969 2.528 31.957 510 HZ1 LYS 56 HZ1 LYS 56 2.117 4.090 32.027 511 HZ2 LYS 56 HZ2 LYS 56 3.597 4.901 31.831 512 HZ3 LYS 56 HZ3 LYS 56 2.823 4.893 33.344 513 H LYS 57 HN LYS 57 2.767 -2.811 33.458 514 HA LYS 57 HA LYS 57 1.636 -2.722 36.058 515 HB2 LYS 57 HB2 LYS 57 0.413 -3.500 34.026 516 HB3 LYS 57 HB1 LYS 57 1.405 -4.957 34.030 517 HG2 LYS 57 HG2 LYS 57 0.579 -5.558 36.251 518 HG3 LYS 57 HG1 LYS 57 -0.360 -4.068 36.328 519 HD2 LYS 57 HD2 LYS 57 -1.663 -4.788 34.356 520 HD3 LYS 57 HD1 LYS 57 -0.735 -6.288 34.297 521 HE2 LYS 57 HE2 LYS 57 -1.532 -6.881 36.550 522 HE3 LYS 57 HE1 LYS 57 -2.441 -5.372 36.635 523 HZ1 LYS 57 HZ1 LYS 57 -3.847 -6.057 34.895 524 HZ2 LYS 57 HZ2 LYS 57 -3.730 -7.397 35.934 525 HZ3 LYS 57 HZ3 LYS 57 -2.849 -7.367 34.481 526 H ARG 58 HN ARG 58 3.918 -4.933 34.507 527 HA ARG 58 HA ARG 58 4.154 -6.777 36.630 528 HB2 ARG 58 HB2 ARG 58 6.097 -5.996 34.444 529 HB3 ARG 58 HB1 ARG 58 6.345 -7.347 35.546 530 HG2 ARG 58 HG2 ARG 58 3.816 -7.090 33.917 531 HG3 ARG 58 HG1 ARG 58 5.253 -7.880 33.268 532 HD2 ARG 58 HD2 ARG 58 5.261 -9.462 35.127 533 HD3 ARG 58 HD1 ARG 58 3.895 -8.641 35.869 534 HE ARG 58 HE ARG 58 3.076 -9.386 33.321 535 HH11 ARG 58 HH11 ARG 58 4.157 -10.950 36.248 536 HH12 ARG 58 HH12 ARG 58 3.239 -12.387 35.954 537 HH21 ARG 58 HH21 ARG 58 1.897 -11.265 32.972 538 HH22 ARG 58 HH22 ARG 58 1.970 -12.563 34.113 539 H GLU 59 HN GLU 59 5.916 -3.804 35.863 540 HA GLU 59 HA GLU 59 7.882 -3.998 37.873 541 HB2 GLU 59 HB2 GLU 59 6.671 -1.628 36.447 542 HB3 GLU 59 HB1 GLU 59 8.003 -1.486 37.591 543 HG2 GLU 59 HG2 GLU 59 9.400 -2.918 36.234 544 HG3 GLU 59 HG1 GLU 59 8.063 -3.277 35.150 545 H ASP 60 HN ASP 60 4.645 -2.568 37.866 546 HA ASP 60 HA ASP 60 4.762 -1.336 40.407 547 HB2 ASP 60 HB2 ASP 60 2.465 -2.328 38.726 548 HB3 ASP 60 HB1 ASP 60 2.232 -1.516 40.270 549 H ASP 61 HN ASP 61 3.732 -4.612 39.386 550 HA ASP 61 HA ASP 61 2.758 -5.482 41.859 551 HB2 ASP 61 HB2 ASP 61 3.747 -6.804 39.366 552 HB3 ASP 61 HB1 ASP 61 3.468 -7.774 40.807 553 H GLU 62 HN GLU 62 6.056 -5.505 40.477 554 HA GLU 62 HA GLU 62 7.261 -7.138 42.435 555 HB2 GLU 62 HB2 GLU 62 8.371 -5.084 40.527 556 HB3 GLU 62 HB1 GLU 62 9.367 -6.119 41.548 557 HG2 GLU 62 HG2 GLU 62 8.359 -8.115 40.513 558 HG3 GLU 62 HG1 GLU 62 7.362 -7.085 39.496 559 H LYS 63 HN LYS 63 6.825 -3.639 42.126 560 HA LYS 63 HA LYS 63 8.530 -2.818 44.199 561 HB2 LYS 63 HB2 LYS 63 5.976 -1.599 43.112 562 HB3 LYS 63 HB1 LYS 63 7.057 -0.780 44.236 563 HG2 LYS 63 HG2 LYS 63 8.879 -0.864 42.654 564 HG3 LYS 63 HG1 LYS 63 7.945 -1.871 41.551 565 HD2 LYS 63 HD2 LYS 63 6.291 -0.019 41.317 566 HD3 LYS 63 HD1 LYS 63 7.306 0.985 42.353 567 HE2 LYS 63 HE2 LYS 63 9.134 0.875 40.758 568 HE3 LYS 63 HE1 LYS 63 8.245 -0.274 39.760 569 HZ1 LYS 63 HZ1 LYS 63 6.584 1.386 39.325 570 HZ2 LYS 63 HZ2 LYS 63 8.110 2.012 38.923 571 HZ3 LYS 63 HZ3 LYS 63 7.344 2.493 40.361 572 H ARG 64 HN ARG 64 5.039 -3.775 44.258 573 HA ARG 64 HA ARG 64 4.803 -3.180 47.043 574 HB2 ARG 64 HB2 ARG 64 3.117 -4.823 45.146 575 HB3 ARG 64 HB1 ARG 64 2.655 -4.425 46.804 576 HG2 ARG 64 HG2 ARG 64 2.832 -2.015 46.268 577 HG3 ARG 64 HG1 ARG 64 3.265 -2.421 44.606 578 HD2 ARG 64 HD2 ARG 64 0.692 -3.279 45.953 579 HD3 ARG 64 HD1 ARG 64 0.834 -1.866 44.914 580 HE ARG 64 HE ARG 64 1.811 -4.086 43.502 581 HH11 ARG 64 HH11 ARG 64 -1.195 -2.901 44.812 582 HH12 ARG 64 HH12 ARG 64 -2.163 -3.708 43.625 583 HH21 ARG 64 HH21 ARG 64 0.515 -5.135 41.975 584 HH22 ARG 64 HH22 ARG 64 -1.202 -4.957 42.039 585 H ILE 65 HN ILE 65 6.758 -5.405 45.677 586 HA ILE 65 HA ILE 65 6.157 -7.486 47.666 587 HB ILE 65 HB ILE 65 7.739 -7.672 45.097 588 HG12 ILE 65 HG12 ILE 65 5.253 -7.401 44.894 589 HG13 ILE 65 HG11 ILE 65 5.887 -8.882 44.190 590 HG21 ILE 65 HG21 ILE 65 7.152 -9.661 47.274 591 HG22 ILE 65 HG22 ILE 65 8.699 -9.283 46.516 592 HG23 ILE 65 HG23 ILE 65 7.478 -10.192 45.625 593 HD11 ILE 65 HD11 ILE 65 5.063 -10.186 46.024 594 HD12 ILE 65 HD12 ILE 65 3.746 -9.104 45.562 595 HD13 ILE 65 HD13 ILE 65 4.727 -8.748 46.987 596 H GLN 66 HN GLN 66 8.035 -4.818 47.275 597 HA GLN 66 HA GLN 66 10.050 -4.118 48.123 598 HB2 GLN 66 HB2 GLN 66 8.753 -4.760 50.188 599 HB3 GLN 66 HB1 GLN 66 9.587 -6.315 50.145 600 HG2 GLN 66 HG2 GLN 66 10.826 -4.865 51.633 601 HG3 GLN 66 HG1 GLN 66 11.765 -5.065 50.157 602 HE21 GLN 66 HE21 GLN 66 12.846 -3.012 50.212 603 HE22 GLN 66 HE22 GLN 66 12.013 -1.541 50.058 604 H ALA 67 HN ALA 67 10.969 -5.100 46.108 605 HA ALA 67 HA ALA 67 12.201 -7.633 46.092 606 HB1 ALA 67 HB1 ALA 67 13.458 -6.834 44.172 607 HB2 ALA 67 HB2 ALA 67 13.063 -5.163 44.569 608 HB3 ALA 67 HB3 ALA 67 11.791 -6.270 44.053 609 H GLU 68 HN GLU 68 13.354 -4.456 47.107 610 HA GLU 68 HA GLU 68 16.065 -5.088 47.494 611 HB2 GLU 68 HB2 GLU 68 15.050 -2.783 47.518 612 HB3 GLU 68 HB1 GLU 68 14.414 -3.142 49.121 613 HG2 GLU 68 HG2 GLU 68 16.691 -3.530 49.954 614 HG3 GLU 68 HG1 GLU 68 17.341 -3.207 48.351 Start of MODEL 4 1 HA LYS 1 HA LYS 1 -6.750 6.224 -49.914 2 HB2 LYS 1 HB2 LYS 1 -8.603 4.730 -48.035 3 HB3 LYS 1 HB1 LYS 1 -8.968 6.302 -48.744 4 HG2 LYS 1 HG2 LYS 1 -8.772 5.339 -51.003 5 HG3 LYS 1 HG1 LYS 1 -8.391 3.766 -50.303 6 HD2 LYS 1 HD2 LYS 1 -10.582 3.726 -49.178 7 HD3 LYS 1 HD1 LYS 1 -10.969 5.303 -49.866 8 HE2 LYS 1 HE2 LYS 1 -10.781 4.367 -52.138 9 HE3 LYS 1 HE1 LYS 1 -10.377 2.791 -51.460 10 HZ1 LYS 1 HZ1 LYS 1 -12.535 2.833 -50.299 11 HZ2 LYS 1 HZ2 LYS 1 -12.695 2.848 -51.988 12 HZ3 LYS 1 HZ3 LYS 1 -12.923 4.278 -51.100 13 H GLN 2 HN GLN 2 -7.338 8.125 -48.527 14 HA GLN 2 HA GLN 2 -5.341 8.599 -46.579 15 HB2 GLN 2 HB2 GLN 2 -6.446 10.367 -47.964 16 HB3 GLN 2 HB1 GLN 2 -7.906 10.153 -46.997 17 HG2 GLN 2 HG2 GLN 2 -6.635 10.724 -44.957 18 HG3 GLN 2 HG1 GLN 2 -5.184 10.953 -45.929 19 HE21 GLN 2 HE21 GLN 2 -4.915 13.223 -45.720 20 HE22 GLN 2 HE22 GLN 2 -6.083 14.351 -46.214 21 H GLN 3 HN GLN 3 -8.774 7.781 -46.342 22 HA GLN 3 HA GLN 3 -9.027 8.081 -43.545 23 HB2 GLN 3 HB2 GLN 3 -10.543 6.355 -45.514 24 HB3 GLN 3 HB1 GLN 3 -11.002 6.554 -43.824 25 HG2 GLN 3 HG2 GLN 3 -10.670 8.852 -45.768 26 HG3 GLN 3 HG1 GLN 3 -12.216 8.104 -45.380 27 HE21 GLN 3 HE21 GLN 3 -10.507 10.793 -44.627 28 HE22 GLN 3 HE22 GLN 3 -10.983 11.008 -43.012 29 H GLU 4 HN GLU 4 -8.040 5.354 -45.563 30 HA GLU 4 HA GLU 4 -8.008 3.383 -43.544 31 HB2 GLU 4 HB2 GLU 4 -7.850 3.023 -46.054 32 HB3 GLU 4 HB1 GLU 4 -6.151 3.484 -45.927 33 HG2 GLU 4 HG2 GLU 4 -6.243 1.087 -45.781 34 HG3 GLU 4 HG1 GLU 4 -5.900 1.689 -44.162 35 H GLU 5 HN GLU 5 -5.491 5.590 -44.727 36 HA GLU 5 HA GLU 5 -3.382 4.640 -43.107 37 HB2 GLU 5 HB2 GLU 5 -3.977 7.214 -44.541 38 HB3 GLU 5 HB1 GLU 5 -2.557 7.092 -43.510 39 HG2 GLU 5 HG2 GLU 5 -3.165 5.101 -45.707 40 HG3 GLU 5 HG1 GLU 5 -2.184 6.541 -45.968 41 H GLU 6 HN GLU 6 -5.843 7.172 -42.614 42 HA GLU 6 HA GLU 6 -4.830 8.140 -40.186 43 HB2 GLU 6 HB2 GLU 6 -7.637 8.036 -41.304 44 HB3 GLU 6 HB1 GLU 6 -7.229 8.867 -39.803 45 HG2 GLU 6 HG2 GLU 6 -5.914 9.431 -42.474 46 HG3 GLU 6 HG1 GLU 6 -7.233 10.382 -41.799 47 H ALA 7 HN ALA 7 -7.165 5.552 -40.880 48 HA ALA 7 HA ALA 7 -7.826 4.900 -38.266 49 HB1 ALA 7 HB1 ALA 7 -8.936 3.958 -40.280 50 HB2 ALA 7 HB2 ALA 7 -8.457 2.697 -39.143 51 HB3 ALA 7 HB3 ALA 7 -7.503 2.983 -40.596 52 H GLU 8 HN GLU 8 -5.087 3.780 -40.243 53 HA GLU 8 HA GLU 8 -4.048 1.912 -38.386 54 HB2 GLU 8 HB2 GLU 8 -3.361 2.083 -40.776 55 HB3 GLU 8 HB1 GLU 8 -2.539 3.594 -40.399 56 HG2 GLU 8 HG2 GLU 8 -0.921 1.783 -40.384 57 HG3 GLU 8 HG1 GLU 8 -1.133 2.386 -38.746 58 H ARG 9 HN ARG 9 -3.434 5.382 -38.887 59 HA ARG 9 HA ARG 9 -1.455 5.632 -36.859 60 HB2 ARG 9 HB2 ARG 9 -3.328 7.611 -38.153 61 HB3 ARG 9 HB1 ARG 9 -2.196 8.086 -36.886 62 HG2 ARG 9 HG2 ARG 9 -0.310 7.425 -38.187 63 HG3 ARG 9 HG1 ARG 9 -1.316 6.584 -39.362 64 HD2 ARG 9 HD2 ARG 9 -2.278 8.719 -40.098 65 HD3 ARG 9 HD1 ARG 9 -1.359 9.576 -38.864 66 HE ARG 9 HE ARG 9 0.471 9.481 -40.251 67 HH11 ARG 9 HH11 ARG 9 -1.756 6.965 -41.199 68 HH12 ARG 9 HH12 ARG 9 -0.841 6.532 -42.601 69 HH21 ARG 9 HH21 ARG 9 1.629 8.890 -42.091 70 HH22 ARG 9 HH22 ARG 9 1.048 7.610 -43.102 71 H LEU 10 HN LEU 10 -4.975 6.029 -36.853 72 HA LEU 10 HA LEU 10 -5.288 6.861 -34.206 73 HB2 LEU 10 HB2 LEU 10 -7.132 5.420 -36.111 74 HB3 LEU 10 HB1 LEU 10 -7.632 5.954 -34.508 75 HG LEU 10 HG LEU 10 -6.400 7.834 -36.535 76 HD11 LEU 10 HD11 LEU 10 -8.502 6.830 -37.423 77 HD12 LEU 10 HD12 LEU 10 -8.680 8.549 -37.073 78 HD13 LEU 10 HD13 LEU 10 -9.340 7.350 -35.960 79 HD21 LEU 10 HD21 LEU 10 -7.683 9.491 -35.073 80 HD22 LEU 10 HD22 LEU 10 -6.304 8.709 -34.302 81 HD23 LEU 10 HD23 LEU 10 -7.942 8.159 -33.948 82 H ARG 11 HN ARG 11 -4.969 3.664 -35.641 83 HA ARG 11 HA ARG 11 -5.891 2.153 -33.420 84 HB2 ARG 11 HB2 ARG 11 -5.697 1.283 -35.752 85 HB3 ARG 11 HB1 ARG 11 -3.946 1.340 -35.588 86 HG2 ARG 11 HG2 ARG 11 -4.558 -0.907 -35.089 87 HG3 ARG 11 HG1 ARG 11 -4.230 -0.153 -33.528 88 HD2 ARG 11 HD2 ARG 11 -6.641 0.265 -33.217 89 HD3 ARG 11 HD1 ARG 11 -6.970 -0.473 -34.780 90 HE ARG 11 HE ARG 11 -5.598 -2.378 -33.326 91 HH11 ARG 11 HH11 ARG 11 -8.562 -0.569 -32.939 92 HH12 ARG 11 HH12 ARG 11 -9.339 -1.822 -32.035 93 HH21 ARG 11 HH21 ARG 11 -6.646 -3.985 -32.158 94 HH22 ARG 11 HH22 ARG 11 -8.264 -3.737 -31.599 95 H ARG 12 HN ARG 12 -2.677 3.272 -34.458 96 HA ARG 12 HA ARG 12 -1.200 1.900 -32.481 97 HB2 ARG 12 HB2 ARG 12 -0.244 2.916 -34.558 98 HB3 ARG 12 HB1 ARG 12 -0.485 4.507 -33.838 99 HG2 ARG 12 HG2 ARG 12 1.771 3.948 -33.342 100 HG3 ARG 12 HG1 ARG 12 0.884 3.645 -31.850 101 HD2 ARG 12 HD2 ARG 12 0.762 1.253 -32.376 102 HD3 ARG 12 HD1 ARG 12 1.585 1.527 -33.908 103 HE ARG 12 HE ARG 12 2.783 1.410 -31.289 104 HH11 ARG 12 HH11 ARG 12 3.135 2.683 -34.517 105 HH12 ARG 12 HH12 ARG 12 4.855 2.820 -34.398 106 HH21 ARG 12 HH21 ARG 12 5.004 1.602 -31.160 107 HH22 ARG 12 HH22 ARG 12 5.910 2.211 -32.502 108 H ILE 13 HN ILE 13 -2.701 5.116 -32.569 109 HA ILE 13 HA ILE 13 -1.561 6.090 -30.190 110 HB ILE 13 HB ILE 13 -4.185 6.757 -31.551 111 HG12 ILE 13 HG12 ILE 13 -1.585 8.309 -31.512 112 HG13 ILE 13 HG11 ILE 13 -1.963 7.133 -32.768 113 HG21 ILE 13 HG21 ILE 13 -4.317 7.481 -29.240 114 HG22 ILE 13 HG22 ILE 13 -3.980 8.900 -30.233 115 HG23 ILE 13 HG23 ILE 13 -2.683 8.141 -29.308 116 HD11 ILE 13 HD11 ILE 13 -2.637 9.286 -33.599 117 HD12 ILE 13 HD12 ILE 13 -3.491 9.660 -32.102 118 HD13 ILE 13 HD13 ILE 13 -4.110 8.411 -33.182 119 H GLN 14 HN GLN 14 -4.595 4.274 -30.813 120 HA GLN 14 HA GLN 14 -5.628 4.374 -28.233 121 HB2 GLN 14 HB2 GLN 14 -5.929 2.354 -30.461 122 HB3 GLN 14 HB1 GLN 14 -6.874 2.315 -28.974 123 HG2 GLN 14 HG2 GLN 14 -6.762 4.680 -30.867 124 HG3 GLN 14 HG1 GLN 14 -8.048 3.478 -30.850 125 HE21 GLN 14 HE21 GLN 14 -7.531 6.539 -29.839 126 HE22 GLN 14 HE22 GLN 14 -8.441 6.545 -28.406 127 H GLU 15 HN GLU 15 -3.304 2.134 -29.742 128 HA GLU 15 HA GLU 15 -3.279 0.199 -27.683 129 HB2 GLU 15 HB2 GLU 15 -2.405 -0.166 -29.978 130 HB3 GLU 15 HB1 GLU 15 -1.088 0.953 -29.637 131 HG2 GLU 15 HG2 GLU 15 -0.464 -0.524 -27.689 132 HG3 GLU 15 HG1 GLU 15 -1.652 -1.685 -28.268 133 H GLU 16 HN GLU 16 -1.359 3.139 -28.289 134 HA GLU 16 HA GLU 16 0.533 2.704 -26.250 135 HB2 GLU 16 HB2 GLU 16 0.696 4.371 -28.148 136 HB3 GLU 16 HB1 GLU 16 -0.419 5.396 -27.239 137 HG2 GLU 16 HG2 GLU 16 1.830 6.094 -26.703 138 HG3 GLU 16 HG1 GLU 16 1.165 5.275 -25.294 139 H MET 17 HN MET 17 -2.608 4.397 -26.274 140 HA MET 17 HA MET 17 -2.476 5.467 -23.701 141 HB2 MET 17 HB2 MET 17 -4.811 4.646 -25.438 142 HB3 MET 17 HB1 MET 17 -4.997 5.474 -23.892 143 HG2 MET 17 HG2 MET 17 -3.655 7.356 -24.706 144 HG3 MET 17 HG1 MET 17 -3.379 6.521 -26.236 145 HE1 MET 17 HE1 MET 17 -7.262 8.337 -24.632 146 HE2 MET 17 HE2 MET 17 -5.684 8.251 -23.853 147 HE3 MET 17 HE3 MET 17 -6.678 6.802 -23.979 148 H GLU 18 HN GLU 18 -3.566 2.312 -24.870 149 HA GLU 18 HA GLU 18 -4.746 1.402 -22.463 150 HB2 GLU 18 HB2 GLU 18 -3.494 -0.080 -24.783 151 HB3 GLU 18 HB1 GLU 18 -4.325 -0.883 -23.450 152 HG2 GLU 18 HG2 GLU 18 -6.374 0.346 -23.944 153 HG3 GLU 18 HG1 GLU 18 -5.558 1.246 -25.216 154 H LYS 19 HN LYS 19 -1.445 1.160 -23.752 155 HA LYS 19 HA LYS 19 -0.381 -0.480 -21.714 156 HB2 LYS 19 HB2 LYS 19 0.888 1.572 -23.539 157 HB3 LYS 19 HB1 LYS 19 1.816 0.532 -22.457 158 HG2 LYS 19 HG2 LYS 19 0.953 -1.462 -23.546 159 HG3 LYS 19 HG1 LYS 19 -0.126 -0.492 -24.549 160 HD2 LYS 19 HD2 LYS 19 1.822 0.605 -25.589 161 HD3 LYS 19 HD1 LYS 19 2.905 -0.369 -24.592 162 HE2 LYS 19 HE2 LYS 19 2.102 -2.414 -25.621 163 HE3 LYS 19 HE1 LYS 19 0.873 -1.531 -26.520 164 HZ1 LYS 19 HZ1 LYS 19 3.730 -1.758 -27.010 165 HZ2 LYS 19 HZ2 LYS 19 3.052 -0.222 -27.278 166 HZ3 LYS 19 HZ3 LYS 19 2.444 -1.575 -28.104 167 H GLU 20 HN GLU 20 -0.619 3.041 -22.044 168 HA GLU 20 HA GLU 20 0.785 3.723 -19.687 169 HB2 GLU 20 HB2 GLU 20 0.228 5.319 -21.524 170 HB3 GLU 20 HB1 GLU 20 -1.459 5.260 -21.016 171 HG2 GLU 20 HG2 GLU 20 -0.822 6.078 -18.785 172 HG3 GLU 20 HG1 GLU 20 0.865 6.125 -19.278 173 H ARG 21 HN ARG 21 -2.638 3.087 -20.340 174 HA ARG 21 HA ARG 21 -3.643 3.760 -17.797 175 HB2 ARG 21 HB2 ARG 21 -5.046 3.372 -19.824 176 HB3 ARG 21 HB1 ARG 21 -4.697 1.649 -19.696 177 HG2 ARG 21 HG2 ARG 21 -5.693 1.623 -17.429 178 HG3 ARG 21 HG1 ARG 21 -6.076 3.335 -17.584 179 HD2 ARG 21 HD2 ARG 21 -7.089 1.169 -19.447 180 HD3 ARG 21 HD1 ARG 21 -8.012 1.853 -18.112 181 HE ARG 21 HE ARG 21 -7.171 3.993 -19.670 182 HH11 ARG 21 HH11 ARG 21 -9.196 1.176 -20.060 183 HH12 ARG 21 HH12 ARG 21 -10.201 1.927 -21.252 184 HH21 ARG 21 HH21 ARG 21 -8.492 4.930 -21.223 185 HH22 ARG 21 HH22 ARG 21 -9.805 4.034 -21.903 186 H LYS 22 HN LYS 22 -2.403 0.699 -19.108 187 HA LYS 22 HA LYS 22 -2.943 -0.902 -16.847 188 HB2 LYS 22 HB2 LYS 22 -0.859 -1.125 -19.027 189 HB3 LYS 22 HB1 LYS 22 -1.118 -2.365 -17.803 190 HG2 LYS 22 HG2 LYS 22 -3.330 -1.337 -19.593 191 HG3 LYS 22 HG1 LYS 22 -2.337 -2.732 -20.006 192 HD2 LYS 22 HD2 LYS 22 -3.031 -3.839 -17.906 193 HD3 LYS 22 HD1 LYS 22 -4.049 -2.454 -17.513 194 HE2 LYS 22 HE2 LYS 22 -5.359 -2.823 -19.566 195 HE3 LYS 22 HE1 LYS 22 -4.348 -4.213 -19.963 196 HZ1 LYS 22 HZ1 LYS 22 -5.117 -5.385 -18.101 197 HZ2 LYS 22 HZ2 LYS 22 -6.513 -4.683 -18.769 198 HZ3 LYS 22 HZ3 LYS 22 -5.794 -4.001 -17.389 199 H ARG 23 HN ARG 23 -0.136 1.060 -17.758 200 HA ARG 23 HA ARG 23 1.560 0.273 -15.648 201 HB2 ARG 23 HB2 ARG 23 1.385 2.816 -17.275 202 HB3 ARG 23 HB1 ARG 23 2.658 2.519 -16.091 203 HG2 ARG 23 HG2 ARG 23 3.394 0.542 -17.287 204 HG3 ARG 23 HG1 ARG 23 2.026 0.652 -18.394 205 HD2 ARG 23 HD2 ARG 23 4.020 1.546 -19.476 206 HD3 ARG 23 HD1 ARG 23 2.868 2.845 -19.187 207 HE ARG 23 HE ARG 23 4.692 2.628 -17.020 208 HH11 ARG 23 HH11 ARG 23 4.486 3.743 -20.324 209 HH12 ARG 23 HH12 ARG 23 5.734 4.923 -20.119 210 HH21 ARG 23 HH21 ARG 23 6.309 4.168 -16.796 211 HH22 ARG 23 HH22 ARG 23 6.756 5.161 -18.142 212 H ARG 24 HN ARG 24 -0.860 2.875 -15.909 213 HA ARG 24 HA ARG 24 -0.333 4.065 -13.400 214 HB2 ARG 24 HB2 ARG 24 -2.831 3.960 -15.106 215 HB3 ARG 24 HB1 ARG 24 -2.670 4.956 -13.657 216 HG2 ARG 24 HG2 ARG 24 -0.731 6.108 -14.655 217 HG3 ARG 24 HG1 ARG 24 -0.877 5.111 -16.102 218 HD2 ARG 24 HD2 ARG 24 -3.188 5.980 -16.431 219 HD3 ARG 24 HD1 ARG 24 -2.963 7.032 -15.036 220 HE ARG 24 HE ARG 24 -0.926 7.372 -17.039 221 HH11 ARG 24 HH11 ARG 24 -4.155 8.308 -16.091 222 HH12 ARG 24 HH12 ARG 24 -4.108 9.783 -16.992 223 HH21 ARG 24 HH21 ARG 24 -0.921 9.273 -18.224 224 HH22 ARG 24 HH22 ARG 24 -2.293 10.325 -18.188 225 H GLU 25 HN GLU 25 -2.538 1.477 -14.432 226 HA GLU 25 HA GLU 25 -3.856 1.098 -11.973 227 HB2 GLU 25 HB2 GLU 25 -3.253 -0.798 -14.256 228 HB3 GLU 25 HB1 GLU 25 -4.288 -1.215 -12.892 229 HG2 GLU 25 HG2 GLU 25 -5.837 0.537 -13.429 230 HG3 GLU 25 HG1 GLU 25 -4.753 1.211 -14.635 231 H GLU 26 HN GLU 26 -0.913 -0.334 -13.330 232 HA GLU 26 HA GLU 26 -0.392 -2.167 -11.240 233 HB2 GLU 26 HB2 GLU 26 0.722 -2.193 -13.477 234 HB3 GLU 26 HB1 GLU 26 1.625 -0.755 -13.005 235 HG2 GLU 26 HG2 GLU 26 2.602 -1.986 -11.112 236 HG3 GLU 26 HG1 GLU 26 1.690 -3.418 -11.562 237 H ASP 27 HN ASP 27 0.594 1.193 -11.755 238 HA ASP 27 HA ASP 27 2.262 1.448 -9.489 239 HB2 ASP 27 HB2 ASP 27 2.205 3.077 -11.363 240 HB3 ASP 27 HB1 ASP 27 0.610 3.602 -10.828 241 H GLU 28 HN GLU 28 -1.205 1.990 -9.970 242 HA GLU 28 HA GLU 28 -1.755 3.075 -7.419 243 HB2 GLU 28 HB2 GLU 28 -3.353 3.201 -9.280 244 HB3 GLU 28 HB1 GLU 28 -3.544 1.451 -9.238 245 HG2 GLU 28 HG2 GLU 28 -5.403 2.463 -8.067 246 HG3 GLU 28 HG1 GLU 28 -4.383 1.632 -6.904 247 H GLN 29 HN GLN 29 -1.766 -0.272 -8.632 248 HA GLN 29 HA GLN 29 -2.702 -1.495 -6.274 249 HB2 GLN 29 HB2 GLN 29 -0.924 -2.522 -8.493 250 HB3 GLN 29 HB1 GLN 29 -1.543 -3.543 -7.195 251 HG2 GLN 29 HG2 GLN 29 -3.849 -2.978 -7.826 252 HG3 GLN 29 HG1 GLN 29 -3.253 -1.914 -9.098 253 HE21 GLN 29 HE21 GLN 29 -4.518 -4.948 -8.684 254 HE22 GLN 29 HE22 GLN 29 -3.783 -5.739 -9.995 255 H ARG 30 HN ARG 30 0.582 -0.713 -7.372 256 HA ARG 30 HA ARG 30 1.960 -1.936 -5.230 257 HB2 ARG 30 HB2 ARG 30 3.045 -1.181 -7.333 258 HB3 ARG 30 HB1 ARG 30 2.781 0.491 -6.841 259 HG2 ARG 30 HG2 ARG 30 4.157 0.144 -4.839 260 HG3 ARG 30 HG1 ARG 30 4.396 -1.547 -5.279 261 HD2 ARG 30 HD2 ARG 30 5.494 -0.865 -7.369 262 HD3 ARG 30 HD1 ARG 30 5.233 0.830 -6.963 263 HE ARG 30 HE ARG 30 6.619 -0.357 -4.839 264 HH11 ARG 30 HH11 ARG 30 7.141 0.420 -8.204 265 HH12 ARG 30 HH12 ARG 30 8.849 0.609 -8.010 266 HH21 ARG 30 HH21 ARG 30 8.833 -0.099 -4.624 267 HH22 ARG 30 HH22 ARG 30 9.801 0.317 -5.997 268 H ARG 31 HN ARG 31 0.674 1.337 -5.680 269 HA ARG 31 HA ARG 31 1.670 2.452 -3.289 270 HB2 ARG 31 HB2 ARG 31 0.601 3.658 -5.282 271 HB3 ARG 31 HB1 ARG 31 -0.953 3.211 -4.580 272 HG2 ARG 31 HG2 ARG 31 -0.366 4.355 -2.490 273 HG3 ARG 31 HG1 ARG 31 1.215 4.776 -3.148 274 HD2 ARG 31 HD2 ARG 31 -1.456 5.655 -4.284 275 HD3 ARG 31 HD1 ARG 31 -0.364 6.661 -3.336 276 HE ARG 31 HE ARG 31 1.166 5.756 -5.426 277 HH11 ARG 31 HH11 ARG 31 -1.825 7.531 -5.142 278 HH12 ARG 31 HH12 ARG 31 -1.597 8.372 -6.637 279 HH21 ARG 31 HH21 ARG 31 1.403 6.829 -7.384 280 HH22 ARG 31 HH22 ARG 31 0.219 7.983 -7.889 281 H ARG 32 HN ARG 32 -1.350 0.763 -4.038 282 HA ARG 32 HA ARG 32 -2.572 1.094 -1.504 283 HB2 ARG 32 HB2 ARG 32 -2.880 -1.115 -3.562 284 HB3 ARG 32 HB1 ARG 32 -3.949 -0.881 -2.181 285 HG2 ARG 32 HG2 ARG 32 -3.424 1.319 -4.187 286 HG3 ARG 32 HG1 ARG 32 -4.720 0.143 -4.402 287 HD2 ARG 32 HD2 ARG 32 -5.811 0.852 -2.403 288 HD3 ARG 32 HD1 ARG 32 -4.414 1.791 -1.885 289 HE ARG 32 HE ARG 32 -5.477 2.665 -4.412 290 HH11 ARG 32 HH11 ARG 32 -5.729 2.960 -0.943 291 HH12 ARG 32 HH12 ARG 32 -6.483 4.514 -1.019 292 HH21 ARG 32 HH21 ARG 32 -6.439 4.670 -4.480 293 HH22 ARG 32 HH22 ARG 32 -6.894 5.477 -3.016 294 H LYS 33 HN LYS 33 -0.484 -1.450 -2.801 295 HA LYS 33 HA LYS 33 -0.520 -3.119 -0.526 296 HB2 LYS 33 HB2 LYS 33 0.332 -3.869 -2.718 297 HB3 LYS 33 HB1 LYS 33 1.695 -2.765 -2.560 298 HG2 LYS 33 HG2 LYS 33 2.493 -4.913 -1.891 299 HG3 LYS 33 HG1 LYS 33 2.290 -3.982 -0.413 300 HD2 LYS 33 HD2 LYS 33 -0.037 -5.056 -0.233 301 HD3 LYS 33 HD1 LYS 33 0.495 -6.155 -1.504 302 HE2 LYS 33 HE2 LYS 33 0.978 -7.262 0.553 303 HE3 LYS 33 HE1 LYS 33 2.526 -6.652 -0.032 304 HZ1 LYS 33 HZ1 LYS 33 2.589 -5.869 2.092 305 HZ2 LYS 33 HZ2 LYS 33 0.904 -5.754 2.229 306 HZ3 LYS 33 HZ3 LYS 33 1.769 -4.570 1.378 307 H GLU 34 HN GLU 34 1.600 -0.445 -1.457 308 HA GLU 34 HA GLU 34 3.436 -0.653 0.664 309 HB2 GLU 34 HB2 GLU 34 2.531 1.690 -1.013 310 HB3 GLU 34 HB1 GLU 34 3.799 1.829 0.203 311 HG2 GLU 34 HG2 GLU 34 3.861 -0.190 -2.053 312 HG3 GLU 34 HG1 GLU 34 4.648 1.385 -2.132 313 H GLU 35 HN GLU 35 0.374 1.115 0.388 314 HA GLU 35 HA GLU 35 0.485 2.442 2.885 315 HB2 GLU 35 HB2 GLU 35 -1.846 1.582 1.161 316 HB3 GLU 35 HB1 GLU 35 -2.020 2.558 2.618 317 HG2 GLU 35 HG2 GLU 35 -0.609 4.298 1.679 318 HG3 GLU 35 HG1 GLU 35 -0.271 3.310 0.265 319 H GLU 36 HN GLU 36 -0.798 -0.667 1.884 320 HA GLU 36 HA GLU 36 -1.999 -1.395 4.363 321 HB2 GLU 36 HB2 GLU 36 -0.942 -3.088 2.092 322 HB3 GLU 36 HB1 GLU 36 -1.784 -3.755 3.489 323 HG2 GLU 36 HG2 GLU 36 -3.756 -2.426 2.995 324 HG3 GLU 36 HG1 GLU 36 -2.924 -1.619 1.672 325 H GLU 37 HN GLU 37 1.210 -1.982 2.982 326 HA GLU 37 HA GLU 37 2.224 -3.570 5.076 327 HB2 GLU 37 HB2 GLU 37 3.224 -3.138 2.741 328 HB3 GLU 37 HB1 GLU 37 3.900 -1.667 3.441 329 HG2 GLU 37 HG2 GLU 37 5.580 -3.358 3.671 330 HG3 GLU 37 HG1 GLU 37 4.882 -3.123 5.270 331 H ARG 38 HN ARG 38 2.252 -0.060 4.538 332 HA ARG 38 HA ARG 38 3.846 0.626 6.767 333 HB2 ARG 38 HB2 ARG 38 1.689 2.143 5.277 334 HB3 ARG 38 HB1 ARG 38 2.704 2.873 6.521 335 HG2 ARG 38 HG2 ARG 38 3.896 1.423 4.153 336 HG3 ARG 38 HG1 ARG 38 3.471 3.129 4.069 337 HD2 ARG 38 HD2 ARG 38 4.982 3.650 5.899 338 HD3 ARG 38 HD1 ARG 38 5.302 1.939 6.169 339 HE ARG 38 HE ARG 38 6.787 1.982 4.418 340 HH11 ARG 38 HH11 ARG 38 4.719 4.781 4.170 341 HH12 ARG 38 HH12 ARG 38 5.628 5.476 2.874 342 HH21 ARG 38 HH21 ARG 38 7.939 2.902 2.744 343 HH22 ARG 38 HH22 ARG 38 7.445 4.415 2.069 344 H ARG 39 HN ARG 39 0.287 0.316 6.382 345 HA ARG 39 HA ARG 39 -0.423 1.094 8.955 346 HB2 ARG 39 HB2 ARG 39 -1.944 0.669 6.963 347 HB3 ARG 39 HB1 ARG 39 -1.792 -1.050 7.321 348 HG2 ARG 39 HG2 ARG 39 -2.481 -0.289 9.761 349 HG3 ARG 39 HG1 ARG 39 -3.129 1.117 8.917 350 HD2 ARG 39 HD2 ARG 39 -4.916 -0.479 9.058 351 HD3 ARG 39 HD1 ARG 39 -4.346 -0.508 7.391 352 HE ARG 39 HE ARG 39 -3.641 -2.675 7.719 353 HH11 ARG 39 HH11 ARG 39 -4.116 -1.174 10.839 354 HH12 ARG 39 HH12 ARG 39 -3.832 -2.647 11.706 355 HH21 ARG 39 HH21 ARG 39 -3.275 -4.563 8.899 356 HH22 ARG 39 HH22 ARG 39 -3.363 -4.526 10.628 357 H MET 40 HN MET 40 0.467 -2.109 7.655 358 HA MET 40 HA MET 40 -0.076 -3.608 9.963 359 HB2 MET 40 HB2 MET 40 0.388 -4.559 7.701 360 HB3 MET 40 HB1 MET 40 2.080 -4.105 7.893 361 HG2 MET 40 HG2 MET 40 2.267 -5.544 9.872 362 HG3 MET 40 HG1 MET 40 0.561 -5.970 9.741 363 HE1 MET 40 HE1 MET 40 4.019 -7.178 6.989 364 HE2 MET 40 HE2 MET 40 4.096 -6.281 8.504 365 HE3 MET 40 HE3 MET 40 3.457 -5.505 7.057 366 H LYS 41 HN LYS 41 2.856 -1.882 8.917 367 HA LYS 41 HA LYS 41 4.537 -2.717 11.030 368 HB2 LYS 41 HB2 LYS 41 5.357 -1.623 8.970 369 HB3 LYS 41 HB1 LYS 41 4.573 -0.128 9.464 370 HG2 LYS 41 HG2 LYS 41 6.885 0.058 10.078 371 HG3 LYS 41 HG1 LYS 41 5.976 -0.192 11.564 372 HD2 LYS 41 HD2 LYS 41 6.569 -2.561 11.577 373 HD3 LYS 41 HD1 LYS 41 7.386 -2.388 10.024 374 HE2 LYS 41 HE2 LYS 41 9.044 -2.335 11.814 375 HE3 LYS 41 HE1 LYS 41 8.945 -0.743 11.062 376 HZ1 LYS 41 HZ1 LYS 41 7.285 -1.386 13.415 377 HZ2 LYS 41 HZ2 LYS 41 7.799 0.128 12.853 378 HZ3 LYS 41 HZ3 LYS 41 8.902 -0.912 13.617 379 H LEU 42 HN LEU 42 2.338 0.027 10.665 380 HA LEU 42 HA LEU 42 2.989 1.332 13.093 381 HB2 LEU 42 HB2 LEU 42 0.474 1.329 11.418 382 HB3 LEU 42 HB1 LEU 42 0.681 2.348 12.840 383 HG LEU 42 HG LEU 42 2.665 2.338 10.558 384 HD11 LEU 42 HD11 LEU 42 0.277 4.163 10.986 385 HD12 LEU 42 HD12 LEU 42 0.464 2.996 9.676 386 HD13 LEU 42 HD13 LEU 42 1.533 4.396 9.770 387 HD21 LEU 42 HD21 LEU 42 2.085 4.143 12.917 388 HD22 LEU 42 HD22 LEU 42 3.070 4.672 11.553 389 HD23 LEU 42 HD23 LEU 42 3.588 3.304 12.538 390 H GLU 43 HN GLU 43 0.564 -1.111 12.286 391 HA GLU 43 HA GLU 43 -0.677 -1.256 14.814 392 HB2 GLU 43 HB2 GLU 43 -1.558 -2.240 12.670 393 HB3 GLU 43 HB1 GLU 43 -0.360 -3.521 12.834 394 HG2 GLU 43 HG2 GLU 43 -1.310 -4.214 14.953 395 HG3 GLU 43 HG1 GLU 43 -2.418 -2.849 14.949 396 H MET 44 HN MET 44 2.092 -2.969 13.435 397 HA MET 44 HA MET 44 2.516 -4.775 15.558 398 HB2 MET 44 HB2 MET 44 4.389 -3.594 13.505 399 HB3 MET 44 HB1 MET 44 4.915 -4.789 14.691 400 HG2 MET 44 HG2 MET 44 3.232 -6.374 13.877 401 HG3 MET 44 HG1 MET 44 2.631 -5.177 12.731 402 HE1 MET 44 HE1 MET 44 5.296 -7.395 13.966 403 HE2 MET 44 HE2 MET 44 6.481 -6.113 13.724 404 HE3 MET 44 HE3 MET 44 6.517 -7.545 12.698 405 H GLU 45 HN GLU 45 3.742 -1.501 14.992 406 HA GLU 45 HA GLU 45 5.468 -1.343 17.217 407 HB2 GLU 45 HB2 GLU 45 3.961 0.800 15.700 408 HB3 GLU 45 HB1 GLU 45 5.159 1.145 16.948 409 HG2 GLU 45 HG2 GLU 45 6.872 -0.035 15.690 410 HG3 GLU 45 HG1 GLU 45 5.694 -0.520 14.477 411 H ALA 46 HN ALA 46 2.039 -0.582 16.818 412 HA ALA 46 HA ALA 46 1.590 0.542 19.369 413 HB1 ALA 46 HB1 ALA 46 -0.310 -0.978 17.565 414 HB2 ALA 46 HB2 ALA 46 -0.046 0.766 17.568 415 HB3 ALA 46 HB3 ALA 46 -0.795 -0.015 18.960 416 H LYS 47 HN LYS 47 1.353 -2.793 18.174 417 HA LYS 47 HA LYS 47 0.397 -3.978 20.528 418 HB2 LYS 47 HB2 LYS 47 2.190 -5.089 18.351 419 HB3 LYS 47 HB1 LYS 47 1.450 -6.074 19.608 420 HG2 LYS 47 HG2 LYS 47 -0.150 -4.297 17.754 421 HG3 LYS 47 HG1 LYS 47 0.185 -5.990 17.404 422 HD2 LYS 47 HD2 LYS 47 -0.914 -6.643 19.516 423 HD3 LYS 47 HD1 LYS 47 -1.260 -4.948 19.861 424 HE2 LYS 47 HE2 LYS 47 -2.603 -4.792 17.804 425 HE3 LYS 47 HE1 LYS 47 -2.257 -6.484 17.444 426 HZ1 LYS 47 HZ1 LYS 47 -4.417 -6.122 18.567 427 HZ2 LYS 47 HZ2 LYS 47 -3.581 -5.546 19.929 428 HZ3 LYS 47 HZ3 LYS 47 -3.379 -7.155 19.423 429 H ARG 48 HN ARG 48 3.728 -3.346 19.445 430 HA ARG 48 HA ARG 48 5.049 -4.560 21.616 431 HB2 ARG 48 HB2 ARG 48 5.842 -2.300 19.773 432 HB3 ARG 48 HB1 ARG 48 6.928 -2.975 20.989 433 HG2 ARG 48 HG2 ARG 48 6.705 -5.205 19.973 434 HG3 ARG 48 HG1 ARG 48 5.588 -4.556 18.770 435 HD2 ARG 48 HD2 ARG 48 7.328 -3.046 17.934 436 HD3 ARG 48 HD1 ARG 48 8.447 -3.631 19.161 437 HE ARG 48 HE ARG 48 7.519 -5.825 17.662 438 HH11 ARG 48 HH11 ARG 48 9.530 -2.997 17.276 439 HH12 ARG 48 HH12 ARG 48 10.513 -3.726 16.053 440 HH21 ARG 48 HH21 ARG 48 8.817 -6.737 16.076 441 HH22 ARG 48 HH22 ARG 48 10.110 -5.825 15.380 442 H LYS 49 HN LYS 49 3.843 -1.287 21.117 443 HA LYS 49 HA LYS 49 4.863 -0.135 23.490 444 HB2 LYS 49 HB2 LYS 49 2.413 0.531 21.846 445 HB3 LYS 49 HB1 LYS 49 2.960 1.511 23.206 446 HG2 LYS 49 HG2 LYS 49 5.114 1.886 22.115 447 HG3 LYS 49 HG1 LYS 49 4.660 0.817 20.792 448 HD2 LYS 49 HD2 LYS 49 4.239 2.975 19.944 449 HD3 LYS 49 HD1 LYS 49 2.651 2.403 20.441 450 HE2 LYS 49 HE2 LYS 49 4.347 3.951 22.388 451 HE3 LYS 49 HE1 LYS 49 3.447 4.805 21.140 452 HZ1 LYS 49 HZ1 LYS 49 1.575 3.144 22.060 453 HZ2 LYS 49 HZ2 LYS 49 1.817 4.716 22.655 454 HZ3 LYS 49 HZ3 LYS 49 2.481 3.386 23.475 455 H GLN 50 HN GLN 50 1.797 -1.787 22.807 456 HA GLN 50 HA GLN 50 0.641 -1.465 25.372 457 HB2 GLN 50 HB2 GLN 50 -0.592 -2.193 23.318 458 HB3 GLN 50 HB1 GLN 50 0.221 -3.753 23.433 459 HG2 GLN 50 HG2 GLN 50 -0.744 -4.088 25.680 460 HG3 GLN 50 HG1 GLN 50 -1.558 -2.532 25.562 461 HE21 GLN 50 HE21 GLN 50 -2.922 -5.084 25.892 462 HE22 GLN 50 HE22 GLN 50 -3.878 -5.322 24.509 463 H GLU 51 HN GLU 51 2.668 -4.020 23.962 464 HA GLU 51 HA GLU 51 2.649 -5.780 26.147 465 HB2 GLU 51 HB2 GLU 51 4.716 -5.281 23.991 466 HB3 GLU 51 HB1 GLU 51 4.830 -6.595 25.160 467 HG2 GLU 51 HG2 GLU 51 2.791 -7.580 24.379 468 HG3 GLU 51 HG1 GLU 51 2.411 -6.177 23.391 469 H GLU 52 HN GLU 52 4.759 -3.036 25.355 470 HA GLU 52 HA GLU 52 6.634 -3.363 27.423 471 HB2 GLU 52 HB2 GLU 52 6.963 -1.857 25.487 472 HB3 GLU 52 HB1 GLU 52 5.694 -0.802 26.102 473 HG2 GLU 52 HG2 GLU 52 7.027 -0.534 28.209 474 HG3 GLU 52 HG1 GLU 52 8.321 -1.458 27.456 475 H GLU 53 HN GLU 53 3.559 -1.628 27.288 476 HA GLU 53 HA GLU 53 3.714 -0.344 29.803 477 HB2 GLU 53 HB2 GLU 53 2.058 0.260 28.066 478 HB3 GLU 53 HB1 GLU 53 1.246 -1.284 28.315 479 HG2 GLU 53 HG2 GLU 53 0.866 -0.672 30.685 480 HG3 GLU 53 HG1 GLU 53 1.617 0.891 30.390 481 H GLU 54 HN GLU 54 2.402 -3.492 28.817 482 HA GLU 54 HA GLU 54 1.368 -4.273 31.314 483 HB2 GLU 54 HB2 GLU 54 0.907 -5.421 29.136 484 HB3 GLU 54 HB1 GLU 54 2.540 -6.083 29.186 485 HG2 GLU 54 HG2 GLU 54 1.980 -7.089 31.426 486 HG3 GLU 54 HG1 GLU 54 0.317 -6.561 31.188 487 H ARG 55 HN ARG 55 4.574 -4.660 29.856 488 HA ARG 55 HA ARG 55 5.684 -6.331 31.833 489 HB2 ARG 55 HB2 ARG 55 6.987 -4.284 30.019 490 HB3 ARG 55 HB1 ARG 55 7.885 -5.430 31.009 491 HG2 ARG 55 HG2 ARG 55 5.781 -6.288 29.013 492 HG3 ARG 55 HG1 ARG 55 7.481 -6.125 28.587 493 HD2 ARG 55 HD2 ARG 55 8.100 -7.798 30.237 494 HD3 ARG 55 HD1 ARG 55 6.442 -7.907 30.819 495 HE ARG 55 HE ARG 55 7.517 -9.099 28.417 496 HH11 ARG 55 HH11 ARG 55 4.620 -7.912 29.961 497 HH12 ARG 55 HH12 ARG 55 3.571 -8.935 29.045 498 HH21 ARG 55 HH21 ARG 55 6.128 -10.436 27.259 499 HH22 ARG 55 HH22 ARG 55 4.419 -10.354 27.525 500 H LYS 56 HN LYS 56 5.567 -2.803 31.572 501 HA LYS 56 HA LYS 56 7.107 -2.194 33.865 502 HB2 LYS 56 HB2 LYS 56 4.903 -0.673 32.457 503 HB3 LYS 56 HB1 LYS 56 5.853 -0.000 33.782 504 HG2 LYS 56 HG2 LYS 56 7.916 -0.313 32.511 505 HG3 LYS 56 HG1 LYS 56 7.024 -1.093 31.206 506 HD2 LYS 56 HD2 LYS 56 5.744 0.984 30.835 507 HD3 LYS 56 HD1 LYS 56 6.645 1.769 32.135 508 HE2 LYS 56 HE2 LYS 56 8.728 1.519 30.919 509 HE3 LYS 56 HE1 LYS 56 7.936 0.568 29.668 510 HZ1 LYS 56 HZ1 LYS 56 8.005 3.423 30.041 511 HZ2 LYS 56 HZ2 LYS 56 6.449 2.817 29.718 512 HZ3 LYS 56 HZ3 LYS 56 7.723 2.511 28.638 513 H LYS 57 HN LYS 57 3.651 -2.764 33.403 514 HA LYS 57 HA LYS 57 2.830 -2.161 36.055 515 HB2 LYS 57 HB2 LYS 57 1.622 -3.907 33.908 516 HB3 LYS 57 HB1 LYS 57 0.839 -3.609 35.461 517 HG2 LYS 57 HG2 LYS 57 0.846 -1.196 35.033 518 HG3 LYS 57 HG1 LYS 57 1.702 -1.449 33.513 519 HD2 LYS 57 HD2 LYS 57 -0.187 -2.758 32.646 520 HD3 LYS 57 HD1 LYS 57 -1.047 -2.547 34.172 521 HE2 LYS 57 HE2 LYS 57 -1.129 -0.139 33.849 522 HE3 LYS 57 HE1 LYS 57 -0.145 -0.259 32.394 523 HZ1 LYS 57 HZ1 LYS 57 -2.104 -0.341 31.363 524 HZ2 LYS 57 HZ2 LYS 57 -2.961 -0.768 32.766 525 HZ3 LYS 57 HZ3 LYS 57 -2.161 -1.962 31.857 526 H ARG 58 HN ARG 58 3.833 -5.170 34.478 527 HA ARG 58 HA ARG 58 3.375 -6.890 36.671 528 HB2 ARG 58 HB2 ARG 58 5.261 -7.084 34.320 529 HB3 ARG 58 HB1 ARG 58 5.071 -8.373 35.508 530 HG2 ARG 58 HG2 ARG 58 2.673 -8.512 35.013 531 HG3 ARG 58 HG1 ARG 58 2.811 -7.171 33.877 532 HD2 ARG 58 HD2 ARG 58 2.825 -9.265 32.636 533 HD3 ARG 58 HD1 ARG 58 4.419 -8.520 32.535 534 HE ARG 58 HE ARG 58 4.326 -10.295 34.737 535 HH11 ARG 58 HH11 ARG 58 4.438 -10.315 31.249 536 HH12 ARG 58 HH12 ARG 58 5.224 -11.856 31.173 537 HH21 ARG 58 HH21 ARG 58 5.332 -12.295 34.599 538 HH22 ARG 58 HH22 ARG 58 5.722 -12.966 33.054 539 H GLU 59 HN GLU 59 6.197 -5.002 35.678 540 HA GLU 59 HA GLU 59 8.008 -6.013 37.585 541 HB2 GLU 59 HB2 GLU 59 7.873 -3.371 36.127 542 HB3 GLU 59 HB1 GLU 59 9.198 -3.802 37.206 543 HG2 GLU 59 HG2 GLU 59 9.722 -5.754 35.848 544 HG3 GLU 59 HG1 GLU 59 8.334 -5.447 34.810 545 H ASP 60 HN ASP 60 5.713 -3.325 37.707 546 HA ASP 60 HA ASP 60 6.524 -2.249 40.186 547 HB2 ASP 60 HB2 ASP 60 3.901 -2.176 38.703 548 HB3 ASP 60 HB1 ASP 60 4.161 -1.322 40.219 549 H ASP 61 HN ASP 61 4.131 -4.792 39.362 550 HA ASP 61 HA ASP 61 3.064 -5.158 41.907 551 HB2 ASP 61 HB2 ASP 61 3.343 -6.973 39.509 552 HB3 ASP 61 HB1 ASP 61 2.470 -7.426 40.969 553 H GLU 62 HN GLU 62 5.942 -6.540 40.305 554 HA GLU 62 HA GLU 62 6.489 -8.552 42.172 555 HB2 GLU 62 HB2 GLU 62 8.236 -7.047 40.215 556 HB3 GLU 62 HB1 GLU 62 8.801 -8.412 41.181 557 HG2 GLU 62 HG2 GLU 62 7.071 -9.848 40.208 558 HG3 GLU 62 HG1 GLU 62 6.437 -8.488 39.285 559 H LYS 63 HN LYS 63 7.479 -5.159 41.948 560 HA LYS 63 HA LYS 63 9.461 -5.191 43.924 561 HB2 LYS 63 HB2 LYS 63 7.567 -2.976 43.096 562 HB3 LYS 63 HB1 LYS 63 8.991 -2.739 44.108 563 HG2 LYS 63 HG2 LYS 63 10.437 -3.574 42.315 564 HG3 LYS 63 HG1 LYS 63 9.031 -3.891 41.302 565 HD2 LYS 63 HD2 LYS 63 8.458 -1.455 41.421 566 HD3 LYS 63 HD1 LYS 63 9.959 -1.184 42.306 567 HE2 LYS 63 HE2 LYS 63 10.490 -0.708 40.036 568 HE3 LYS 63 HE1 LYS 63 11.143 -2.319 40.327 569 HZ1 LYS 63 HZ1 LYS 63 8.583 -1.636 38.987 570 HZ2 LYS 63 HZ2 LYS 63 9.020 -3.215 39.432 571 HZ3 LYS 63 HZ3 LYS 63 9.945 -2.366 38.288 572 H ARG 64 HN ARG 64 5.891 -4.620 44.201 573 HA ARG 64 HA ARG 64 6.149 -5.332 47.021 574 HB2 ARG 64 HB2 ARG 64 6.109 -2.805 46.762 575 HB3 ARG 64 HB1 ARG 64 4.488 -2.983 46.086 576 HG2 ARG 64 HG2 ARG 64 3.764 -4.153 48.143 577 HG3 ARG 64 HG1 ARG 64 5.376 -3.943 48.824 578 HD2 ARG 64 HD2 ARG 64 3.589 -1.663 47.938 579 HD3 ARG 64 HD1 ARG 64 3.733 -2.221 49.603 580 HE ARG 64 HE ARG 64 6.312 -1.691 48.672 581 HH11 ARG 64 HH11 ARG 64 3.369 0.071 49.327 582 HH12 ARG 64 HH12 ARG 64 4.201 1.541 49.701 583 HH21 ARG 64 HH21 ARG 64 7.356 0.233 49.168 584 HH22 ARG 64 HH22 ARG 64 6.438 1.630 49.613 585 H ILE 65 HN ILE 65 4.918 -7.115 47.164 586 HA ILE 65 HA ILE 65 2.913 -7.830 45.316 587 HB ILE 65 HB ILE 65 3.453 -8.794 48.138 588 HG12 ILE 65 HG12 ILE 65 4.046 -10.142 45.494 589 HG13 ILE 65 HG11 ILE 65 5.210 -9.093 46.297 590 HG21 ILE 65 HG21 ILE 65 1.576 -9.809 45.993 591 HG22 ILE 65 HG22 ILE 65 1.191 -9.400 47.664 592 HG23 ILE 65 HG23 ILE 65 2.150 -10.836 47.307 593 HD11 ILE 65 HD11 ILE 65 5.502 -11.542 46.822 594 HD12 ILE 65 HD12 ILE 65 3.931 -11.497 47.622 595 HD13 ILE 65 HD13 ILE 65 5.264 -10.524 48.243 596 H GLN 66 HN GLN 66 2.723 -6.429 48.580 597 HA GLN 66 HA GLN 66 0.893 -5.698 49.778 598 HB2 GLN 66 HB2 GLN 66 1.750 -3.745 48.580 599 HB3 GLN 66 HB1 GLN 66 0.693 -4.102 47.218 600 HG2 GLN 66 HG2 GLN 66 -0.396 -2.410 48.544 601 HG3 GLN 66 HG1 GLN 66 -1.263 -3.920 48.817 602 HE21 GLN 66 HE21 GLN 66 -1.811 -4.039 51.009 603 HE22 GLN 66 HE22 GLN 66 -0.774 -3.620 52.285 604 H ALA 67 HN ALA 67 -0.785 -5.151 46.740 605 HA ALA 67 HA ALA 67 -2.516 -7.458 47.138 606 HB1 ALA 67 HB1 ALA 67 -3.423 -4.595 47.405 607 HB2 ALA 67 HB2 ALA 67 -3.768 -5.963 48.463 608 HB3 ALA 67 HB3 ALA 67 -4.530 -5.861 46.877 609 H GLU 68 HN GLU 68 -3.655 -8.025 45.266 610 HA GLU 68 HA GLU 68 -2.553 -6.896 42.805 611 HB2 GLU 68 HB2 GLU 68 -4.319 -9.317 43.239 612 HB3 GLU 68 HB1 GLU 68 -3.568 -8.852 41.716 613 HG2 GLU 68 HG2 GLU 68 -2.036 -10.402 42.488 614 HG3 GLU 68 HG1 GLU 68 -1.345 -8.927 43.145 Start of MODEL 5 1 HA LYS 1 HA LYS 1 -3.970 3.926 -48.554 2 HB2 LYS 1 HB2 LYS 1 -0.974 4.311 -48.628 3 HB3 LYS 1 HB1 LYS 1 -1.858 4.024 -47.129 4 HG2 LYS 1 HG2 LYS 1 -2.747 1.920 -48.042 5 HG3 LYS 1 HG1 LYS 1 -1.885 2.204 -49.558 6 HD2 LYS 1 HD2 LYS 1 0.263 2.190 -48.339 7 HD3 LYS 1 HD1 LYS 1 -0.595 1.893 -46.826 8 HE2 LYS 1 HE2 LYS 1 -0.729 0.078 -49.251 9 HE3 LYS 1 HE1 LYS 1 0.319 -0.200 -47.858 10 HZ1 LYS 1 HZ1 LYS 1 -2.633 -0.232 -47.979 11 HZ2 LYS 1 HZ2 LYS 1 -1.819 -0.006 -46.507 12 HZ3 LYS 1 HZ3 LYS 1 -1.584 -1.432 -47.400 13 H GLN 2 HN GLN 2 -1.326 6.268 -48.279 14 HA GLN 2 HA GLN 2 -1.248 8.349 -47.339 15 HB2 GLN 2 HB2 GLN 2 -3.848 8.503 -48.860 16 HB3 GLN 2 HB1 GLN 2 -3.129 9.893 -48.054 17 HG2 GLN 2 HG2 GLN 2 -1.094 9.646 -49.403 18 HG3 GLN 2 HG1 GLN 2 -1.768 8.213 -50.184 19 HE21 GLN 2 HE21 GLN 2 -1.269 11.414 -50.780 20 HE22 GLN 2 HE22 GLN 2 -2.593 11.734 -51.794 21 H GLN 3 HN GLN 3 -4.749 8.356 -47.114 22 HA GLN 3 HA GLN 3 -4.749 8.989 -44.357 23 HB2 GLN 3 HB2 GLN 3 -6.897 8.073 -46.268 24 HB3 GLN 3 HB1 GLN 3 -7.237 8.453 -44.579 25 HG2 GLN 3 HG2 GLN 3 -7.661 10.466 -45.782 26 HG3 GLN 3 HG1 GLN 3 -6.097 10.701 -45.007 27 HE21 GLN 3 HE21 GLN 3 -5.147 12.105 -46.579 28 HE22 GLN 3 HE22 GLN 3 -4.867 11.632 -48.184 29 H GLU 4 HN GLU 4 -5.138 5.974 -46.140 30 HA GLU 4 HA GLU 4 -5.975 4.358 -43.981 31 HB2 GLU 4 HB2 GLU 4 -4.477 3.665 -46.517 32 HB3 GLU 4 HB1 GLU 4 -5.098 2.468 -45.383 33 HG2 GLU 4 HG2 GLU 4 -7.375 3.313 -45.694 34 HG3 GLU 4 HG1 GLU 4 -6.779 4.573 -46.773 35 H GLU 5 HN GLU 5 -2.763 5.208 -45.201 36 HA GLU 5 HA GLU 5 -1.283 3.486 -43.503 37 HB2 GLU 5 HB2 GLU 5 -0.425 4.637 -45.576 38 HB3 GLU 5 HB1 GLU 5 -0.375 6.134 -44.649 39 HG2 GLU 5 HG2 GLU 5 1.189 5.167 -43.065 40 HG3 GLU 5 HG1 GLU 5 1.055 3.591 -43.841 41 H GLU 6 HN GLU 6 -2.351 6.885 -43.210 42 HA GLU 6 HA GLU 6 -1.015 7.421 -40.806 43 HB2 GLU 6 HB2 GLU 6 -2.179 9.075 -42.324 44 HB3 GLU 6 HB1 GLU 6 -3.707 8.537 -41.622 45 HG2 GLU 6 HG2 GLU 6 -2.996 10.481 -40.391 46 HG3 GLU 6 HG1 GLU 6 -2.763 9.079 -39.350 47 H ALA 7 HN ALA 7 -4.257 6.106 -41.433 48 HA ALA 7 HA ALA 7 -5.156 5.967 -38.810 49 HB1 ALA 7 HB1 ALA 7 -6.538 5.481 -40.828 50 HB2 ALA 7 HB2 ALA 7 -6.690 4.227 -39.595 51 HB3 ALA 7 HB3 ALA 7 -5.683 3.950 -41.014 52 H GLU 8 HN GLU 8 -3.167 3.630 -40.631 53 HA GLU 8 HA GLU 8 -3.105 1.605 -38.657 54 HB2 GLU 8 HB2 GLU 8 -2.347 1.447 -41.075 55 HB3 GLU 8 HB1 GLU 8 -0.874 2.281 -40.588 56 HG2 GLU 8 HG2 GLU 8 -0.420 -0.079 -40.495 57 HG3 GLU 8 HG1 GLU 8 -0.540 0.501 -38.837 58 H ARG 9 HN ARG 9 -1.028 4.415 -39.267 59 HA ARG 9 HA ARG 9 0.858 3.871 -37.211 60 HB2 ARG 9 HB2 ARG 9 0.002 6.447 -38.552 61 HB3 ARG 9 HB1 ARG 9 1.302 6.365 -37.363 62 HG2 ARG 9 HG2 ARG 9 2.579 4.857 -38.729 63 HG3 ARG 9 HG1 ARG 9 1.225 4.617 -39.832 64 HD2 ARG 9 HD2 ARG 9 2.826 6.184 -40.821 65 HD3 ARG 9 HD1 ARG 9 1.310 6.998 -40.458 66 HE ARG 9 HE ARG 9 3.275 7.208 -38.351 67 HH11 ARG 9 HH11 ARG 9 2.052 8.584 -41.312 68 HH12 ARG 9 HH12 ARG 9 2.672 10.162 -40.973 69 HH21 ARG 9 HH21 ARG 9 4.078 9.273 -37.940 70 HH22 ARG 9 HH22 ARG 9 3.817 10.547 -39.081 71 H LEU 10 HN LEU 10 -2.146 5.755 -37.291 72 HA LEU 10 HA LEU 10 -2.076 6.758 -34.694 73 HB2 LEU 10 HB2 LEU 10 -3.621 7.565 -36.483 74 HB3 LEU 10 HB1 LEU 10 -4.548 6.075 -36.296 75 HG LEU 10 HG LEU 10 -4.780 6.659 -33.836 76 HD11 LEU 10 HD11 LEU 10 -4.521 9.152 -33.375 77 HD12 LEU 10 HD12 LEU 10 -3.572 9.233 -34.861 78 HD13 LEU 10 HD13 LEU 10 -3.020 8.235 -33.515 79 HD21 LEU 10 HD21 LEU 10 -6.586 8.284 -34.239 80 HD22 LEU 10 HD22 LEU 10 -6.598 7.014 -35.463 81 HD23 LEU 10 HD23 LEU 10 -5.943 8.608 -35.850 82 H ARG 11 HN ARG 11 -3.200 3.677 -35.959 83 HA ARG 11 HA ARG 11 -4.676 2.819 -33.678 84 HB2 ARG 11 HB2 ARG 11 -3.397 1.376 -36.000 85 HB3 ARG 11 HB1 ARG 11 -4.290 0.533 -34.733 86 HG2 ARG 11 HG2 ARG 11 -6.304 1.749 -35.238 87 HG3 ARG 11 HG1 ARG 11 -5.451 2.838 -36.325 88 HD2 ARG 11 HD2 ARG 11 -6.623 1.163 -37.650 89 HD3 ARG 11 HD1 ARG 11 -4.890 0.894 -37.777 90 HE ARG 11 HE ARG 11 -6.139 -0.645 -35.684 91 HH11 ARG 11 HH11 ARG 11 -5.330 -0.522 -39.073 92 HH12 ARG 11 HH12 ARG 11 -5.378 -2.238 -39.268 93 HH21 ARG 11 HH21 ARG 11 -6.193 -2.881 -35.969 94 HH22 ARG 11 HH22 ARG 11 -5.864 -3.564 -37.525 95 H ARG 12 HN ARG 12 -1.307 2.408 -34.716 96 HA ARG 12 HA ARG 12 -0.530 0.613 -32.675 97 HB2 ARG 12 HB2 ARG 12 1.120 2.617 -34.236 98 HB3 ARG 12 HB1 ARG 12 1.771 1.320 -33.239 99 HG2 ARG 12 HG2 ARG 12 -0.115 0.862 -35.555 100 HG3 ARG 12 HG1 ARG 12 1.637 0.763 -35.699 101 HD2 ARG 12 HD2 ARG 12 1.559 -0.959 -33.814 102 HD3 ARG 12 HD1 ARG 12 -0.191 -0.959 -34.014 103 HE ARG 12 HE ARG 12 1.715 -2.219 -35.741 104 HH11 ARG 12 HH11 ARG 12 -1.394 -0.639 -35.663 105 HH12 ARG 12 HH12 ARG 12 -1.963 -1.449 -37.084 106 HH21 ARG 12 HH21 ARG 12 0.926 -3.270 -37.576 107 HH22 ARG 12 HH22 ARG 12 -0.669 -2.914 -38.152 108 H ILE 13 HN ILE 13 -0.536 4.153 -32.912 109 HA ILE 13 HA ILE 13 0.876 4.639 -30.516 110 HB ILE 13 HB ILE 13 -1.172 6.326 -31.969 111 HG12 ILE 13 HG12 ILE 13 0.837 5.805 -33.267 112 HG13 ILE 13 HG11 ILE 13 0.802 7.506 -32.827 113 HG21 ILE 13 HG21 ILE 13 -0.063 8.222 -30.694 114 HG22 ILE 13 HG22 ILE 13 0.679 6.988 -29.675 115 HG23 ILE 13 HG23 ILE 13 -1.075 7.152 -29.717 116 HD11 ILE 13 HD11 ILE 13 2.504 5.304 -31.651 117 HD12 ILE 13 HD12 ILE 13 2.308 6.858 -30.845 118 HD13 ILE 13 HD13 ILE 13 3.047 6.786 -32.446 119 H GLN 14 HN GLN 14 -2.633 4.274 -31.170 120 HA GLN 14 HA GLN 14 -3.547 4.922 -28.620 121 HB2 GLN 14 HB2 GLN 14 -4.658 3.097 -30.761 122 HB3 GLN 14 HB1 GLN 14 -5.548 3.570 -29.313 123 HG2 GLN 14 HG2 GLN 14 -4.386 5.522 -31.318 124 HG3 GLN 14 HG1 GLN 14 -6.071 5.008 -31.295 125 HE21 GLN 14 HE21 GLN 14 -4.419 7.649 -30.525 126 HE22 GLN 14 HE22 GLN 14 -5.186 8.117 -29.083 127 H GLU 15 HN GLU 15 -2.398 1.844 -29.975 128 HA GLU 15 HA GLU 15 -3.198 0.171 -27.841 129 HB2 GLU 15 HB2 GLU 15 -2.545 -0.586 -30.143 130 HB3 GLU 15 HB1 GLU 15 -0.871 -0.221 -29.730 131 HG2 GLU 15 HG2 GLU 15 -1.093 -1.749 -27.754 132 HG3 GLU 15 HG1 GLU 15 -2.690 -2.202 -28.341 133 H GLU 16 HN GLU 16 -0.207 1.972 -28.538 134 HA GLU 16 HA GLU 16 1.325 0.891 -26.428 135 HB2 GLU 16 HB2 GLU 16 1.496 3.555 -27.854 136 HB3 GLU 16 HB1 GLU 16 2.700 2.967 -26.707 137 HG2 GLU 16 HG2 GLU 16 3.088 0.981 -28.098 138 HG3 GLU 16 HG1 GLU 16 1.857 1.525 -29.236 139 H MET 17 HN MET 17 -0.811 3.752 -26.612 140 HA MET 17 HA MET 17 -0.248 4.798 -24.087 141 HB2 MET 17 HB2 MET 17 -1.487 6.003 -25.877 142 HB3 MET 17 HB1 MET 17 -2.856 4.922 -25.618 143 HG2 MET 17 HG2 MET 17 -3.000 5.670 -23.267 144 HG3 MET 17 HG1 MET 17 -1.648 6.768 -23.535 145 HE1 MET 17 HE1 MET 17 -2.098 8.080 -26.382 146 HE2 MET 17 HE2 MET 17 -1.540 8.680 -24.821 147 HE3 MET 17 HE3 MET 17 -2.825 9.529 -25.678 148 H GLU 18 HN GLU 18 -2.574 2.337 -25.126 149 HA GLU 18 HA GLU 18 -4.025 2.137 -22.702 150 HB2 GLU 18 HB2 GLU 18 -4.777 1.183 -24.864 151 HB3 GLU 18 HB1 GLU 18 -3.476 -0.003 -24.776 152 HG2 GLU 18 HG2 GLU 18 -4.405 -0.803 -22.610 153 HG3 GLU 18 HG1 GLU 18 -5.753 0.311 -22.805 154 H LYS 19 HN LYS 19 -1.129 0.452 -23.901 155 HA LYS 19 HA LYS 19 -0.865 -1.363 -21.752 156 HB2 LYS 19 HB2 LYS 19 1.182 -0.148 -23.624 157 HB3 LYS 19 HB1 LYS 19 1.549 -1.437 -22.478 158 HG2 LYS 19 HG2 LYS 19 -0.067 -2.911 -23.524 159 HG3 LYS 19 HG1 LYS 19 -0.623 -1.615 -24.584 160 HD2 LYS 19 HD2 LYS 19 1.628 -1.492 -25.601 161 HD3 LYS 19 HD1 LYS 19 2.165 -2.811 -24.561 162 HE2 LYS 19 HE2 LYS 19 0.635 -4.353 -25.588 163 HE3 LYS 19 HE1 LYS 19 -0.183 -3.059 -26.459 164 HZ1 LYS 19 HZ1 LYS 19 1.205 -3.837 -28.066 165 HZ2 LYS 19 HZ2 LYS 19 2.428 -4.292 -26.976 166 HZ3 LYS 19 HZ3 LYS 19 2.210 -2.655 -27.385 167 H GLU 20 HN GLU 20 0.406 1.911 -22.267 168 HA GLU 20 HA GLU 20 1.943 2.069 -19.899 169 HB2 GLU 20 HB2 GLU 20 0.667 4.186 -21.634 170 HB3 GLU 20 HB1 GLU 20 1.668 4.571 -20.233 171 HG2 GLU 20 HG2 GLU 20 2.568 2.833 -22.548 172 HG3 GLU 20 HG1 GLU 20 2.955 4.544 -22.379 173 H ARG 21 HN ARG 21 -1.417 2.890 -20.633 174 HA ARG 21 HA ARG 21 -2.066 4.061 -18.152 175 HB2 ARG 21 HB2 ARG 21 -3.508 4.214 -20.160 176 HB3 ARG 21 HB1 ARG 21 -3.877 2.495 -20.011 177 HG2 ARG 21 HG2 ARG 21 -4.850 2.877 -17.788 178 HG3 ARG 21 HG1 ARG 21 -4.451 4.594 -17.894 179 HD2 ARG 21 HD2 ARG 21 -5.899 4.836 -19.852 180 HD3 ARG 21 HD1 ARG 21 -6.256 3.112 -19.826 181 HE ARG 21 HE ARG 21 -6.991 4.009 -17.338 182 HH11 ARG 21 HH11 ARG 21 -7.799 4.820 -20.625 183 HH12 ARG 21 HH12 ARG 21 -9.405 5.327 -20.236 184 HH21 ARG 21 HH21 ARG 21 -9.089 4.682 -16.849 185 HH22 ARG 21 HH22 ARG 21 -10.132 5.250 -18.108 186 H LYS 22 HN LYS 22 -2.227 0.695 -19.281 187 HA LYS 22 HA LYS 22 -3.411 -0.405 -16.967 188 HB2 LYS 22 HB2 LYS 22 -1.633 -1.597 -19.099 189 HB3 LYS 22 HB1 LYS 22 -2.346 -2.552 -17.798 190 HG2 LYS 22 HG2 LYS 22 -4.590 -1.897 -18.491 191 HG3 LYS 22 HG1 LYS 22 -3.928 -0.832 -19.732 192 HD2 LYS 22 HD2 LYS 22 -2.927 -2.748 -20.881 193 HD3 LYS 22 HD1 LYS 22 -3.508 -3.834 -19.619 194 HE2 LYS 22 HE2 LYS 22 -5.819 -3.328 -20.180 195 HE3 LYS 22 HE1 LYS 22 -5.312 -2.114 -21.349 196 HZ1 LYS 22 HZ1 LYS 22 -5.339 -5.007 -21.570 197 HZ2 LYS 22 HZ2 LYS 22 -3.961 -4.242 -22.210 198 HZ3 LYS 22 HZ3 LYS 22 -5.505 -3.816 -22.770 199 H ARG 23 HN ARG 23 -0.037 0.131 -17.885 200 HA ARG 23 HA ARG 23 1.162 -1.183 -15.692 201 HB2 ARG 23 HB2 ARG 23 2.086 1.101 -17.446 202 HB3 ARG 23 HB1 ARG 23 3.107 0.365 -16.212 203 HG2 ARG 23 HG2 ARG 23 2.929 -1.809 -17.286 204 HG3 ARG 23 HG1 ARG 23 1.774 -1.172 -18.461 205 HD2 ARG 23 HD2 ARG 23 3.455 0.335 -19.366 206 HD3 ARG 23 HD1 ARG 23 4.609 -0.152 -18.130 207 HE ARG 23 HE ARG 23 3.920 -2.483 -19.425 208 HH11 ARG 23 HH11 ARG 23 5.216 0.609 -20.388 209 HH12 ARG 23 HH12 ARG 23 6.123 -0.050 -21.702 210 HH21 ARG 23 HH21 ARG 23 5.101 -3.309 -21.157 211 HH22 ARG 23 HH22 ARG 23 6.054 -2.249 -22.138 212 H ARG 24 HN ARG 24 0.070 2.186 -16.141 213 HA ARG 24 HA ARG 24 1.055 3.163 -13.682 214 HB2 ARG 24 HB2 ARG 24 0.298 4.580 -15.575 215 HB3 ARG 24 HB1 ARG 24 -1.357 4.082 -15.257 216 HG2 ARG 24 HG2 ARG 24 0.133 5.138 -12.908 217 HG3 ARG 24 HG1 ARG 24 -0.216 6.310 -14.175 218 HD2 ARG 24 HD2 ARG 24 -2.585 5.794 -14.074 219 HD3 ARG 24 HD1 ARG 24 -2.289 4.475 -12.952 220 HE ARG 24 HE ARG 24 -1.389 7.057 -12.008 221 HH11 ARG 24 HH11 ARG 24 -4.033 4.789 -12.186 222 HH12 ARG 24 HH12 ARG 24 -4.816 5.412 -10.778 223 HH21 ARG 24 HH21 ARG 24 -2.454 7.870 -10.195 224 HH22 ARG 24 HH22 ARG 24 -3.927 7.138 -9.657 225 H GLU 25 HN GLU 25 -2.048 1.719 -14.623 226 HA GLU 25 HA GLU 25 -3.367 2.077 -12.159 227 HB2 GLU 25 HB2 GLU 25 -3.704 0.003 -14.335 228 HB3 GLU 25 HB1 GLU 25 -4.779 0.127 -12.945 229 HG2 GLU 25 HG2 GLU 25 -5.362 2.415 -13.558 230 HG3 GLU 25 HG1 GLU 25 -4.215 2.380 -14.893 231 H GLU 26 HN GLU 26 -1.348 -0.548 -13.398 232 HA GLU 26 HA GLU 26 -1.666 -2.324 -11.218 233 HB2 GLU 26 HB2 GLU 26 -0.640 -2.855 -13.473 234 HB3 GLU 26 HB1 GLU 26 0.821 -2.032 -12.921 235 HG2 GLU 26 HG2 GLU 26 1.155 -4.341 -12.412 236 HG3 GLU 26 HG1 GLU 26 0.748 -3.557 -10.885 237 H ASP 27 HN ASP 27 0.684 0.246 -11.864 238 HA ASP 27 HA ASP 27 2.285 -0.122 -9.566 239 HB2 ASP 27 HB2 ASP 27 1.783 2.285 -11.317 240 HB3 ASP 27 HB1 ASP 27 2.922 2.299 -9.974 241 H GLU 28 HN GLU 28 -0.586 1.850 -10.187 242 HA GLU 28 HA GLU 28 -0.616 3.225 -7.711 243 HB2 GLU 28 HB2 GLU 28 -1.978 3.835 -9.728 244 HB3 GLU 28 HB1 GLU 28 -3.002 2.439 -9.397 245 HG2 GLU 28 HG2 GLU 28 -3.557 3.342 -7.185 246 HG3 GLU 28 HG1 GLU 28 -2.500 4.724 -7.467 247 H GLN 29 HN GLN 29 -2.091 0.163 -8.759 248 HA GLN 29 HA GLN 29 -3.475 -0.388 -6.366 249 HB2 GLN 29 HB2 GLN 29 -2.348 -2.217 -8.497 250 HB3 GLN 29 HB1 GLN 29 -3.360 -2.779 -7.167 251 HG2 GLN 29 HG2 GLN 29 -4.174 -0.613 -9.123 252 HG3 GLN 29 HG1 GLN 29 -4.646 -2.303 -9.269 253 HE21 GLN 29 HE21 GLN 29 -5.856 0.582 -8.226 254 HE22 GLN 29 HE22 GLN 29 -6.887 0.036 -6.994 255 H ARG 30 HN ARG 30 -0.193 -1.202 -7.433 256 HA ARG 30 HA ARG 30 0.515 -2.785 -5.200 257 HB2 ARG 30 HB2 ARG 30 2.050 -1.250 -7.267 258 HB3 ARG 30 HB1 ARG 30 2.906 -1.915 -5.878 259 HG2 ARG 30 HG2 ARG 30 1.774 -4.144 -6.437 260 HG3 ARG 30 HG1 ARG 30 1.298 -3.400 -7.966 261 HD2 ARG 30 HD2 ARG 30 4.167 -3.377 -7.036 262 HD3 ARG 30 HD1 ARG 30 3.512 -4.735 -7.936 263 HE ARG 30 HE ARG 30 3.984 -2.029 -8.944 264 HH11 ARG 30 HH11 ARG 30 2.603 -5.188 -9.490 265 HH12 ARG 30 HH12 ARG 30 2.523 -4.979 -11.204 266 HH21 ARG 30 HH21 ARG 30 3.856 -1.792 -11.183 267 HH22 ARG 30 HH22 ARG 30 3.224 -3.078 -12.152 268 H ARG 31 HN ARG 31 0.811 0.685 -5.830 269 HA ARG 31 HA ARG 31 2.191 1.348 -3.454 270 HB2 ARG 31 HB2 ARG 31 0.402 2.929 -5.300 271 HB3 ARG 31 HB1 ARG 31 1.149 3.652 -3.875 272 HG2 ARG 31 HG2 ARG 31 3.369 3.066 -4.689 273 HG3 ARG 31 HG1 ARG 31 2.674 2.217 -6.070 274 HD2 ARG 31 HD2 ARG 31 2.119 5.137 -5.537 275 HD3 ARG 31 HD1 ARG 31 3.509 4.615 -6.481 276 HE ARG 31 HE ARG 31 1.297 3.347 -7.577 277 HH11 ARG 31 HH11 ARG 31 2.401 6.607 -7.059 278 HH12 ARG 31 HH12 ARG 31 1.585 7.236 -8.448 279 HH21 ARG 31 HH21 ARG 31 0.235 4.192 -9.388 280 HH22 ARG 31 HH22 ARG 31 0.366 5.876 -9.756 281 H ARG 32 HN ARG 32 -1.254 1.148 -4.223 282 HA ARG 32 HA ARG 32 -2.214 2.134 -1.751 283 HB2 ARG 32 HB2 ARG 32 -3.576 1.801 -3.843 284 HB3 ARG 32 HB1 ARG 32 -3.545 0.067 -3.524 285 HG2 ARG 32 HG2 ARG 32 -5.583 0.797 -2.564 286 HG3 ARG 32 HG1 ARG 32 -4.482 0.660 -1.196 287 HD2 ARG 32 HD2 ARG 32 -3.977 3.107 -1.424 288 HD3 ARG 32 HD1 ARG 32 -5.218 3.205 -2.671 289 HE ARG 32 HE ARG 32 -6.826 3.086 -1.003 290 HH11 ARG 32 HH11 ARG 32 -3.722 2.118 0.268 291 HH12 ARG 32 HH12 ARG 32 -4.292 2.047 1.900 292 HH21 ARG 32 HH21 ARG 32 -7.517 3.003 1.154 293 HH22 ARG 32 HH22 ARG 32 -6.399 2.532 2.392 294 H LYS 33 HN LYS 33 -1.470 -1.141 -2.870 295 HA LYS 33 HA LYS 33 -2.249 -2.518 -0.532 296 HB2 LYS 33 HB2 LYS 33 -1.774 -3.623 -2.714 297 HB3 LYS 33 HB1 LYS 33 -0.060 -3.284 -2.478 298 HG2 LYS 33 HG2 LYS 33 -0.007 -4.640 -0.470 299 HG3 LYS 33 HG1 LYS 33 -1.753 -4.875 -0.532 300 HD2 LYS 33 HD2 LYS 33 -1.517 -6.053 -2.690 301 HD3 LYS 33 HD1 LYS 33 0.232 -5.832 -2.619 302 HE2 LYS 33 HE2 LYS 33 -1.340 -7.236 -0.445 303 HE3 LYS 33 HE1 LYS 33 -0.606 -8.092 -1.802 304 HZ1 LYS 33 HZ1 LYS 33 1.456 -6.635 -0.995 305 HZ2 LYS 33 HZ2 LYS 33 1.128 -8.181 -0.380 306 HZ3 LYS 33 HZ3 LYS 33 0.657 -6.805 0.487 307 H GLU 34 HN GLU 34 0.841 -1.110 -1.530 308 HA GLU 34 HA GLU 34 2.385 -2.000 0.649 309 HB2 GLU 34 HB2 GLU 34 3.286 -0.969 -1.461 310 HB3 GLU 34 HB1 GLU 34 2.736 0.596 -0.866 311 HG2 GLU 34 HG2 GLU 34 4.153 0.358 1.124 312 HG3 GLU 34 HG1 GLU 34 4.685 -1.225 0.567 313 H GLU 35 HN GLU 35 0.437 0.937 0.204 314 HA GLU 35 HA GLU 35 1.139 2.213 2.626 315 HB2 GLU 35 HB2 GLU 35 -0.024 3.290 0.683 316 HB3 GLU 35 HB1 GLU 35 -1.484 2.413 1.132 317 HG2 GLU 35 HG2 GLU 35 -1.459 3.487 3.345 318 HG3 GLU 35 HG1 GLU 35 0.014 4.349 2.915 319 H GLU 36 HN GLU 36 -1.407 -0.042 1.770 320 HA GLU 36 HA GLU 36 -2.794 0.004 4.256 321 HB2 GLU 36 HB2 GLU 36 -2.648 -2.103 2.096 322 HB3 GLU 36 HB1 GLU 36 -3.672 -2.251 3.525 323 HG2 GLU 36 HG2 GLU 36 -3.762 0.068 1.587 324 HG3 GLU 36 HG1 GLU 36 -4.880 -1.293 1.552 325 H GLU 37 HN GLU 37 -0.192 -2.046 3.001 326 HA GLU 37 HA GLU 37 -0.004 -3.778 5.214 327 HB2 GLU 37 HB2 GLU 37 2.034 -2.917 3.159 328 HB3 GLU 37 HB1 GLU 37 2.357 -4.149 4.378 329 HG2 GLU 37 HG2 GLU 37 0.455 -5.475 3.558 330 HG3 GLU 37 HG1 GLU 37 0.098 -4.238 2.355 331 H ARG 38 HN ARG 38 1.579 -0.687 4.496 332 HA ARG 38 HA ARG 38 3.307 -0.652 6.733 333 HB2 ARG 38 HB2 ARG 38 2.042 1.602 5.151 334 HB3 ARG 38 HB1 ARG 38 3.310 1.833 6.354 335 HG2 ARG 38 HG2 ARG 38 3.625 -0.049 4.015 336 HG3 ARG 38 HG1 ARG 38 4.093 1.646 3.921 337 HD2 ARG 38 HD2 ARG 38 5.586 1.281 5.895 338 HD3 ARG 38 HD1 ARG 38 5.156 -0.428 5.863 339 HE ARG 38 HE ARG 38 6.943 0.933 4.046 340 HH11 ARG 38 HH11 ARG 38 4.816 -1.795 4.474 341 HH12 ARG 38 HH12 ARG 38 5.629 -2.762 3.293 342 HH21 ARG 38 HH21 ARG 38 7.982 -0.350 2.518 343 HH22 ARG 38 HH22 ARG 38 7.408 -1.950 2.193 344 H ARG 39 HN ARG 39 -0.025 0.605 6.268 345 HA ARG 39 HA ARG 39 -0.304 1.759 8.785 346 HB2 ARG 39 HB2 ARG 39 -1.874 2.067 6.880 347 HB3 ARG 39 HB1 ARG 39 -2.438 0.414 7.109 348 HG2 ARG 39 HG2 ARG 39 -3.161 0.955 9.394 349 HG3 ARG 39 HG1 ARG 39 -2.586 2.611 9.191 350 HD2 ARG 39 HD2 ARG 39 -4.175 2.947 7.341 351 HD3 ARG 39 HD1 ARG 39 -4.731 1.282 7.506 352 HE ARG 39 HE ARG 39 -5.411 3.511 9.224 353 HH11 ARG 39 HH11 ARG 39 -5.150 0.042 8.962 354 HH12 ARG 39 HH12 ARG 39 -6.269 -0.253 10.247 355 HH21 ARG 39 HH21 ARG 39 -6.909 3.083 10.863 356 HH22 ARG 39 HH22 ARG 39 -7.263 1.445 11.298 357 H MET 40 HN MET 40 -0.925 -1.575 7.691 358 HA MET 40 HA MET 40 -2.066 -2.545 10.067 359 HB2 MET 40 HB2 MET 40 -2.008 -3.723 7.836 360 HB3 MET 40 HB1 MET 40 -0.311 -4.091 8.142 361 HG2 MET 40 HG2 MET 40 -0.918 -5.294 10.194 362 HG3 MET 40 HG1 MET 40 -2.617 -4.900 9.935 363 HE1 MET 40 HE1 MET 40 -3.272 -7.609 10.005 364 HE2 MET 40 HE2 MET 40 -1.594 -7.582 10.540 365 HE3 MET 40 HE3 MET 40 -2.106 -8.749 9.324 366 H LYS 41 HN LYS 41 1.327 -2.342 9.000 367 HA LYS 41 HA LYS 41 2.468 -3.707 11.199 368 HB2 LYS 41 HB2 LYS 41 3.668 -3.191 9.080 369 HB3 LYS 41 HB1 LYS 41 3.684 -1.488 9.533 370 HG2 LYS 41 HG2 LYS 41 4.956 -2.030 11.569 371 HG3 LYS 41 HG1 LYS 41 4.928 -3.739 11.140 372 HD2 LYS 41 HD2 LYS 41 6.165 -3.241 9.064 373 HD3 LYS 41 HD1 LYS 41 6.198 -1.529 9.495 374 HE2 LYS 41 HE2 LYS 41 7.444 -2.075 11.558 375 HE3 LYS 41 HE1 LYS 41 7.418 -3.783 11.121 376 HZ1 LYS 41 HZ1 LYS 41 8.609 -3.212 9.073 377 HZ2 LYS 41 HZ2 LYS 41 9.495 -2.790 10.460 378 HZ3 LYS 41 HZ3 LYS 41 8.687 -1.590 9.569 379 H LEU 42 HN LEU 42 1.729 -0.292 10.629 380 HA LEU 42 HA LEU 42 2.897 0.723 13.003 381 HB2 LEU 42 HB2 LEU 42 0.638 1.747 11.271 382 HB3 LEU 42 HB1 LEU 42 1.309 2.654 12.626 383 HG LEU 42 HG LEU 42 3.046 1.578 10.396 384 HD11 LEU 42 HD11 LEU 42 2.984 3.961 9.539 385 HD12 LEU 42 HD12 LEU 42 1.611 4.237 10.612 386 HD13 LEU 42 HD13 LEU 42 1.490 3.054 9.310 387 HD21 LEU 42 HD21 LEU 42 4.505 3.487 11.223 388 HD22 LEU 42 HD22 LEU 42 4.279 2.175 12.379 389 HD23 LEU 42 HD23 LEU 42 3.370 3.674 12.562 390 H GLU 43 HN GLU 43 -0.379 -0.395 12.246 391 HA GLU 43 HA GLU 43 -1.545 0.171 14.751 392 HB2 GLU 43 HB2 GLU 43 -2.237 -1.851 12.616 393 HB3 GLU 43 HB1 GLU 43 -3.203 -1.640 14.075 394 HG2 GLU 43 HG2 GLU 43 -3.489 0.760 13.517 395 HG3 GLU 43 HG1 GLU 43 -2.562 0.512 12.037 396 H MET 44 HN MET 44 0.116 -2.680 13.501 397 HA MET 44 HA MET 44 -0.335 -4.379 15.708 398 HB2 MET 44 HB2 MET 44 1.857 -4.282 13.631 399 HB3 MET 44 HB1 MET 44 1.796 -5.525 14.882 400 HG2 MET 44 HG2 MET 44 -0.402 -6.245 14.127 401 HG3 MET 44 HG1 MET 44 -0.473 -4.926 12.958 402 HE1 MET 44 HE1 MET 44 2.095 -8.701 12.903 403 HE2 MET 44 HE2 MET 44 1.032 -8.095 14.170 404 HE3 MET 44 HE3 MET 44 2.611 -7.353 13.922 405 H GLU 45 HN GLU 45 2.268 -2.080 15.014 406 HA GLU 45 HA GLU 45 3.877 -2.610 17.270 407 HB2 GLU 45 HB2 GLU 45 3.526 -0.101 15.613 408 HB3 GLU 45 HB1 GLU 45 4.756 -0.286 16.862 409 HG2 GLU 45 HG2 GLU 45 5.756 -2.149 15.689 410 HG3 GLU 45 HG1 GLU 45 4.452 -2.166 14.508 411 H ALA 46 HN ALA 46 1.194 -0.367 16.743 412 HA ALA 46 HA ALA 46 1.314 0.967 19.234 413 HB1 ALA 46 HB1 ALA 46 -0.016 1.832 17.364 414 HB2 ALA 46 HB2 ALA 46 -1.039 1.587 18.780 415 HB3 ALA 46 HB3 ALA 46 -1.078 0.427 17.453 416 H LYS 47 HN LYS 47 -0.459 -1.925 18.169 417 HA LYS 47 HA LYS 47 -1.864 -2.399 20.548 418 HB2 LYS 47 HB2 LYS 47 -2.301 -3.583 18.408 419 HB3 LYS 47 HB1 LYS 47 -0.780 -4.456 18.602 420 HG2 LYS 47 HG2 LYS 47 -1.589 -5.424 20.713 421 HG3 LYS 47 HG1 LYS 47 -3.102 -4.534 20.551 422 HD2 LYS 47 HD2 LYS 47 -3.607 -5.732 18.466 423 HD3 LYS 47 HD1 LYS 47 -2.072 -6.594 18.577 424 HE2 LYS 47 HE2 LYS 47 -3.893 -8.002 19.432 425 HE3 LYS 47 HE1 LYS 47 -2.789 -7.572 20.738 426 HZ1 LYS 47 HZ1 LYS 47 -4.278 -5.937 21.521 427 HZ2 LYS 47 HZ2 LYS 47 -5.211 -7.329 21.252 428 HZ3 LYS 47 HZ3 LYS 47 -5.258 -6.044 20.141 429 H ARG 48 HN ARG 48 1.372 -3.480 19.519 430 HA ARG 48 HA ARG 48 1.962 -5.065 21.769 431 HB2 ARG 48 HB2 ARG 48 3.270 -5.091 19.663 432 HB3 ARG 48 HB1 ARG 48 3.875 -3.477 20.037 433 HG2 ARG 48 HG2 ARG 48 4.890 -4.313 22.109 434 HG3 ARG 48 HG1 ARG 48 4.254 -5.928 21.783 435 HD2 ARG 48 HD2 ARG 48 5.574 -6.081 19.742 436 HD3 ARG 48 HD1 ARG 48 6.138 -4.426 19.945 437 HE ARG 48 HE ARG 48 6.837 -5.830 22.256 438 HH11 ARG 48 HH11 ARG 48 7.559 -5.860 18.850 439 HH12 ARG 48 HH12 ARG 48 9.159 -6.480 19.069 440 HH21 ARG 48 HH21 ARG 48 8.927 -6.636 22.519 441 HH22 ARG 48 HH22 ARG 48 9.929 -6.917 21.137 442 H LYS 49 HN LYS 49 2.465 -1.649 21.083 443 HA LYS 49 HA LYS 49 3.923 -0.993 23.415 444 HB2 LYS 49 HB2 LYS 49 3.677 0.525 21.453 445 HB3 LYS 49 HB1 LYS 49 1.993 0.791 21.902 446 HG2 LYS 49 HG2 LYS 49 2.698 1.698 24.073 447 HG3 LYS 49 HG1 LYS 49 4.387 1.410 23.659 448 HD2 LYS 49 HD2 LYS 49 4.178 2.946 21.738 449 HD3 LYS 49 HD1 LYS 49 2.489 3.244 22.159 450 HE2 LYS 49 HE2 LYS 49 3.202 4.118 24.363 451 HE3 LYS 49 HE1 LYS 49 4.887 3.843 23.921 452 HZ1 LYS 49 HZ1 LYS 49 4.749 5.431 22.202 453 HZ2 LYS 49 HZ2 LYS 49 4.032 6.157 23.562 454 HZ3 LYS 49 HZ3 LYS 49 3.059 5.535 22.316 455 H GLN 50 HN GLN 50 0.434 -1.011 22.753 456 HA GLN 50 HA GLN 50 -0.408 -0.028 25.269 457 HB2 GLN 50 HB2 GLN 50 -1.788 -1.827 23.264 458 HB3 GLN 50 HB1 GLN 50 -2.583 -1.157 24.689 459 HG2 GLN 50 HG2 GLN 50 -2.095 1.118 23.930 460 HG3 GLN 50 HG1 GLN 50 -1.221 0.486 22.537 461 HE21 GLN 50 HE21 GLN 50 -4.156 1.795 23.337 462 HE22 GLN 50 HE22 GLN 50 -5.127 1.048 22.163 463 H GLU 51 HN GLU 51 0.156 -3.316 24.066 464 HA GLU 51 HA GLU 51 -0.690 -4.717 26.348 465 HB2 GLU 51 HB2 GLU 51 -0.230 -5.752 24.117 466 HB3 GLU 51 HB1 GLU 51 1.494 -5.525 24.417 467 HG2 GLU 51 HG2 GLU 51 1.346 -6.923 26.428 468 HG3 GLU 51 HG1 GLU 51 -0.382 -7.130 26.171 469 H GLU 52 HN GLU 52 2.475 -3.374 25.452 470 HA GLU 52 HA GLU 52 3.966 -4.429 27.588 471 HB2 GLU 52 HB2 GLU 52 4.309 -1.950 25.897 472 HB3 GLU 52 HB1 GLU 52 5.480 -2.437 27.122 473 HG2 GLU 52 HG2 GLU 52 5.822 -4.573 26.006 474 HG3 GLU 52 HG1 GLU 52 4.565 -4.200 24.830 475 H GLU 53 HN GLU 53 2.100 -1.449 27.284 476 HA GLU 53 HA GLU 53 2.854 -0.262 29.744 477 HB2 GLU 53 HB2 GLU 53 0.347 0.035 28.077 478 HB3 GLU 53 HB1 GLU 53 0.714 1.030 29.487 479 HG2 GLU 53 HG2 GLU 53 2.490 0.765 27.047 480 HG3 GLU 53 HG1 GLU 53 1.409 2.119 27.358 481 H GLU 54 HN GLU 54 0.173 -2.423 28.869 482 HA GLU 54 HA GLU 54 -1.112 -2.463 31.373 483 HB2 GLU 54 HB2 GLU 54 -2.074 -3.336 29.223 484 HB3 GLU 54 HB1 GLU 54 -0.991 -4.721 29.360 485 HG2 GLU 54 HG2 GLU 54 -1.982 -5.249 31.576 486 HG3 GLU 54 HG1 GLU 54 -3.100 -3.903 31.377 487 H ARG 55 HN ARG 55 1.485 -4.451 30.004 488 HA ARG 55 HA ARG 55 1.643 -6.341 32.091 489 HB2 ARG 55 HB2 ARG 55 3.714 -5.303 30.149 490 HB3 ARG 55 HB1 ARG 55 4.034 -6.619 31.282 491 HG2 ARG 55 HG2 ARG 55 2.202 -7.929 30.329 492 HG3 ARG 55 HG1 ARG 55 1.773 -6.594 29.256 493 HD2 ARG 55 HD2 ARG 55 3.102 -8.219 28.017 494 HD3 ARG 55 HD1 ARG 55 4.022 -6.732 28.220 495 HE ARG 55 HE ARG 55 4.630 -8.495 30.341 496 HH11 ARG 55 HH11 ARG 55 5.110 -8.115 26.914 497 HH12 ARG 55 HH12 ARG 55 6.604 -8.989 26.903 498 HH21 ARG 55 HH21 ARG 55 6.577 -9.635 30.302 499 HH22 ARG 55 HH22 ARG 55 7.427 -9.844 28.811 500 H LYS 56 HN LYS 56 3.277 -3.234 31.635 501 HA LYS 56 HA LYS 56 4.940 -3.325 33.922 502 HB2 LYS 56 HB2 LYS 56 3.769 -0.990 32.398 503 HB3 LYS 56 HB1 LYS 56 4.955 -0.812 33.690 504 HG2 LYS 56 HG2 LYS 56 6.456 -2.390 32.400 505 HG3 LYS 56 HG1 LYS 56 5.305 -2.289 31.069 506 HD2 LYS 56 HD2 LYS 56 6.568 0.154 32.320 507 HD3 LYS 56 HD1 LYS 56 7.276 -0.680 30.939 508 HE2 LYS 56 HE2 LYS 56 5.203 -0.322 29.653 509 HE3 LYS 56 HE1 LYS 56 4.483 0.499 31.037 510 HZ1 LYS 56 HZ1 LYS 56 6.249 2.150 30.928 511 HZ2 LYS 56 HZ2 LYS 56 5.382 2.079 29.469 512 HZ3 LYS 56 HZ3 LYS 56 6.919 1.367 29.577 513 H LYS 57 HN LYS 57 1.662 -2.117 33.415 514 HA LYS 57 HA LYS 57 1.283 -1.024 36.010 515 HB2 LYS 57 HB2 LYS 57 -0.195 -0.508 34.089 516 HB3 LYS 57 HB1 LYS 57 -0.800 -2.164 34.130 517 HG2 LYS 57 HG2 LYS 57 -1.592 -1.814 36.445 518 HG3 LYS 57 HG1 LYS 57 -1.005 -0.153 36.390 519 HD2 LYS 57 HD2 LYS 57 -2.523 0.322 34.501 520 HD3 LYS 57 HD1 LYS 57 -3.123 -1.335 34.569 521 HE2 LYS 57 HE2 LYS 57 -3.289 0.676 36.836 522 HE3 LYS 57 HE1 LYS 57 -4.623 0.232 35.771 523 HZ1 LYS 57 HZ1 LYS 57 -4.228 -2.117 36.506 524 HZ2 LYS 57 HZ2 LYS 57 -4.832 -1.077 37.705 525 HZ3 LYS 57 HZ3 LYS 57 -3.190 -1.507 37.699 526 H ARG 58 HN ARG 58 0.604 -4.211 34.620 527 HA ARG 58 HA ARG 58 -0.632 -5.339 36.891 528 HB2 ARG 58 HB2 ARG 58 0.881 -6.591 34.593 529 HB3 ARG 58 HB1 ARG 58 0.064 -7.534 35.842 530 HG2 ARG 58 HG2 ARG 58 -2.074 -6.506 35.293 531 HG3 ARG 58 HG1 ARG 58 -1.293 -5.424 34.139 532 HD2 ARG 58 HD2 ARG 58 -2.303 -7.292 32.935 533 HD3 ARG 58 HD1 ARG 58 -0.549 -7.385 32.824 534 HE ARG 58 HE ARG 58 -1.445 -8.905 35.039 535 HH11 ARG 58 HH11 ARG 58 -1.400 -8.925 31.557 536 HH12 ARG 58 HH12 ARG 58 -1.431 -10.652 31.445 537 HH21 ARG 58 HH21 ARG 58 -1.486 -11.155 34.870 538 HH22 ARG 58 HH22 ARG 58 -1.481 -11.906 33.311 539 H GLU 59 HN GLU 59 2.749 -5.218 35.847 540 HA GLU 59 HA GLU 59 3.824 -6.885 37.854 541 HB2 GLU 59 HB2 GLU 59 5.025 -4.635 36.235 542 HB3 GLU 59 HB1 GLU 59 5.961 -5.635 37.343 543 HG2 GLU 59 HG2 GLU 59 5.435 -7.630 36.101 544 HG3 GLU 59 HG1 GLU 59 4.287 -6.765 35.088 545 H ASP 60 HN ASP 60 3.248 -3.396 37.724 546 HA ASP 60 HA ASP 60 4.530 -2.703 40.144 547 HB2 ASP 60 HB2 ASP 60 2.317 -1.395 38.568 548 HB3 ASP 60 HB1 ASP 60 2.976 -0.694 40.044 549 H ASP 61 HN ASP 61 1.161 -3.675 39.424 550 HA ASP 61 HA ASP 61 0.083 -3.210 41.959 551 HB2 ASP 61 HB2 ASP 61 -0.666 -5.094 39.728 552 HB3 ASP 61 HB1 ASP 61 -1.621 -4.913 41.198 553 H GLU 62 HN GLU 62 1.762 -6.052 40.594 554 HA GLU 62 HA GLU 62 1.193 -7.849 42.691 555 HB2 GLU 62 HB2 GLU 62 1.948 -8.445 40.371 556 HB3 GLU 62 HB1 GLU 62 3.563 -7.892 40.823 557 HG2 GLU 62 HG2 GLU 62 3.500 -10.269 41.221 558 HG3 GLU 62 HG1 GLU 62 3.444 -9.473 42.792 559 H LYS 63 HN LYS 63 3.862 -5.605 42.067 560 HA LYS 63 HA LYS 63 5.609 -6.503 44.072 561 HB2 LYS 63 HB2 LYS 63 5.216 -3.753 42.869 562 HB3 LYS 63 HB1 LYS 63 6.557 -4.181 43.925 563 HG2 LYS 63 HG2 LYS 63 7.280 -5.913 42.357 564 HG3 LYS 63 HG1 LYS 63 5.904 -5.574 41.311 565 HD2 LYS 63 HD2 LYS 63 6.740 -3.229 41.051 566 HD3 LYS 63 HD1 LYS 63 8.169 -3.674 41.985 567 HE2 LYS 63 HE2 LYS 63 7.298 -5.001 39.401 568 HE3 LYS 63 HE1 LYS 63 8.580 -3.798 39.535 569 HZ1 LYS 63 HZ1 LYS 63 9.619 -5.896 39.590 570 HZ2 LYS 63 HZ2 LYS 63 8.504 -6.516 40.713 571 HZ3 LYS 63 HZ3 LYS 63 9.633 -5.340 41.193 572 H ARG 64 HN ARG 64 2.948 -4.051 44.200 573 HA ARG 64 HA ARG 64 3.543 -3.400 46.925 574 HB2 ARG 64 HB2 ARG 64 2.382 -1.944 45.171 575 HB3 ARG 64 HB1 ARG 64 0.954 -2.945 45.446 576 HG2 ARG 64 HG2 ARG 64 0.933 -2.349 47.811 577 HG3 ARG 64 HG1 ARG 64 2.446 -1.455 47.627 578 HD2 ARG 64 HD2 ARG 64 1.346 0.078 46.043 579 HD3 ARG 64 HD1 ARG 64 -0.159 -0.818 46.214 580 HE ARG 64 HE ARG 64 0.617 -0.051 48.777 581 HH11 ARG 64 HH11 ARG 64 -0.279 1.468 45.775 582 HH12 ARG 64 HH12 ARG 64 -0.935 2.873 46.539 583 HH21 ARG 64 HH21 ARG 64 -0.245 1.792 49.754 584 HH22 ARG 64 HH22 ARG 64 -0.916 3.054 48.781 585 H ILE 65 HN ILE 65 2.565 -6.285 45.752 586 HA ILE 65 HA ILE 65 0.509 -6.724 47.799 587 HB ILE 65 HB ILE 65 1.328 -8.335 45.376 588 HG12 ILE 65 HG12 ILE 65 -1.348 -7.124 46.080 589 HG13 ILE 65 HG11 ILE 65 -0.136 -6.254 45.151 590 HG21 ILE 65 HG21 ILE 65 -0.666 -9.770 46.042 591 HG22 ILE 65 HG22 ILE 65 -0.568 -9.003 47.630 592 HG23 ILE 65 HG23 ILE 65 0.787 -9.956 47.024 593 HD11 ILE 65 HD11 ILE 65 -1.956 -8.373 44.304 594 HD12 ILE 65 HD12 ILE 65 -0.287 -8.742 43.878 595 HD13 ILE 65 HD13 ILE 65 -1.026 -7.244 43.322 596 H GLN 66 HN GLN 66 3.507 -8.126 46.502 597 HA GLN 66 HA GLN 66 3.819 -10.070 48.539 598 HB2 GLN 66 HB2 GLN 66 4.983 -10.086 46.313 599 HB3 GLN 66 HB1 GLN 66 6.011 -8.779 46.899 600 HG2 GLN 66 HG2 GLN 66 6.810 -10.187 48.730 601 HG3 GLN 66 HG1 GLN 66 5.732 -11.486 48.228 602 HE21 GLN 66 HE21 GLN 66 8.703 -11.579 48.356 603 HE22 GLN 66 HE22 GLN 66 9.226 -11.921 46.777 604 H ALA 67 HN ALA 67 4.971 -6.740 48.200 605 HA ALA 67 HA ALA 67 5.535 -6.702 51.081 606 HB1 ALA 67 HB1 ALA 67 7.702 -7.152 50.098 607 HB2 ALA 67 HB2 ALA 67 7.668 -5.473 50.641 608 HB3 ALA 67 HB3 ALA 67 7.484 -5.850 48.927 609 H GLU 68 HN GLU 68 5.299 -4.678 52.037 610 HA GLU 68 HA GLU 68 4.041 -2.630 50.311 611 HB2 GLU 68 HB2 GLU 68 2.616 -3.702 52.100 612 HB3 GLU 68 HB1 GLU 68 3.691 -2.976 53.293 613 HG2 GLU 68 HG2 GLU 68 3.182 -0.742 52.437 614 HG3 GLU 68 HG1 GLU 68 2.166 -1.437 51.178 Start of MODEL 6 1 HA LYS 1 HA LYS 1 -0.188 7.737 -52.820 2 HB2 LYS 1 HB2 LYS 1 -1.675 9.797 -53.114 3 HB3 LYS 1 HB1 LYS 1 -2.772 9.051 -51.952 4 HG2 LYS 1 HG2 LYS 1 -0.971 8.960 -50.283 5 HG3 LYS 1 HG1 LYS 1 0.156 9.658 -51.444 6 HD2 LYS 1 HD2 LYS 1 -2.402 11.054 -50.646 7 HD3 LYS 1 HD1 LYS 1 -0.897 11.280 -49.760 8 HE2 LYS 1 HE2 LYS 1 0.198 11.943 -51.925 9 HE3 LYS 1 HE1 LYS 1 -1.390 11.880 -52.689 10 HZ1 LYS 1 HZ1 LYS 1 -0.576 13.629 -50.431 11 HZ2 LYS 1 HZ2 LYS 1 -2.161 13.508 -51.031 12 HZ3 LYS 1 HZ3 LYS 1 -0.921 14.118 -52.018 13 H GLN 2 HN GLN 2 -0.010 7.076 -50.639 14 HA GLN 2 HA GLN 2 -1.334 4.626 -50.027 15 HB2 GLN 2 HB2 GLN 2 -0.094 4.804 -47.855 16 HB3 GLN 2 HB1 GLN 2 0.935 4.928 -49.279 17 HG2 GLN 2 HG2 GLN 2 0.878 7.403 -49.077 18 HG3 GLN 2 HG1 GLN 2 -0.102 7.250 -47.625 19 HE21 GLN 2 HE21 GLN 2 1.599 8.264 -46.336 20 HE22 GLN 2 HE22 GLN 2 3.015 7.420 -45.938 21 H GLN 3 HN GLN 3 -3.110 4.243 -48.874 22 HA GLN 3 HA GLN 3 -4.852 6.342 -48.102 23 HB2 GLN 3 HB2 GLN 3 -4.887 3.381 -47.469 24 HB3 GLN 3 HB1 GLN 3 -6.186 4.499 -47.053 25 HG2 GLN 3 HG2 GLN 3 -6.500 5.087 -49.393 26 HG3 GLN 3 HG1 GLN 3 -5.139 4.069 -49.861 27 HE21 GLN 3 HE21 GLN 3 -8.513 4.072 -49.527 28 HE22 GLN 3 HE22 GLN 3 -8.755 2.393 -49.491 29 H GLU 4 HN GLU 4 -2.573 4.322 -46.330 30 HA GLU 4 HA GLU 4 -1.733 4.443 -44.205 31 HB2 GLU 4 HB2 GLU 4 -2.652 7.285 -44.612 32 HB3 GLU 4 HB1 GLU 4 -1.888 6.766 -43.113 33 HG2 GLU 4 HG2 GLU 4 0.100 6.055 -44.326 34 HG3 GLU 4 HG1 GLU 4 -0.682 6.405 -45.867 35 H GLU 5 HN GLU 5 -4.731 3.937 -44.784 36 HA GLU 5 HA GLU 5 -6.218 4.804 -42.542 37 HB2 GLU 5 HB2 GLU 5 -6.517 2.483 -44.448 38 HB3 GLU 5 HB1 GLU 5 -7.679 2.798 -43.162 39 HG2 GLU 5 HG2 GLU 5 -8.240 4.929 -44.072 40 HG3 GLU 5 HG1 GLU 5 -6.883 4.898 -45.187 41 H GLU 6 HN GLU 6 -4.295 1.865 -43.186 42 HA GLU 6 HA GLU 6 -4.958 0.543 -40.808 43 HB2 GLU 6 HB2 GLU 6 -2.460 0.465 -42.517 44 HB3 GLU 6 HB1 GLU 6 -2.742 -0.635 -41.167 45 HG2 GLU 6 HG2 GLU 6 -4.802 -1.436 -42.232 46 HG3 GLU 6 HG1 GLU 6 -4.575 -0.304 -43.560 47 H ALA 7 HN ALA 7 -2.333 2.818 -41.552 48 HA ALA 7 HA ALA 7 -1.016 2.735 -39.109 49 HB1 ALA 7 HB1 ALA 7 -0.325 5.117 -39.673 50 HB2 ALA 7 HB2 ALA 7 -1.408 5.024 -41.058 51 HB3 ALA 7 HB3 ALA 7 -0.027 3.935 -40.946 52 H GLU 8 HN GLU 8 -3.828 4.686 -40.096 53 HA GLU 8 HA GLU 8 -4.052 6.219 -37.723 54 HB2 GLU 8 HB2 GLU 8 -6.103 5.326 -39.765 55 HB3 GLU 8 HB1 GLU 8 -6.457 6.454 -38.458 56 HG2 GLU 8 HG2 GLU 8 -4.248 6.862 -40.488 57 HG3 GLU 8 HG1 GLU 8 -5.853 7.569 -40.630 58 H ARG 9 HN ARG 9 -5.431 3.102 -38.707 59 HA ARG 9 HA ARG 9 -6.972 2.696 -36.353 60 HB2 ARG 9 HB2 ARG 9 -7.312 1.396 -38.429 61 HB3 ARG 9 HB1 ARG 9 -5.755 0.606 -38.176 62 HG2 ARG 9 HG2 ARG 9 -6.541 -0.314 -36.045 63 HG3 ARG 9 HG1 ARG 9 -8.081 0.522 -36.229 64 HD2 ARG 9 HD2 ARG 9 -8.343 -1.793 -36.942 65 HD3 ARG 9 HD1 ARG 9 -8.484 -0.725 -38.335 66 HE ARG 9 HE ARG 9 -5.798 -1.609 -38.017 67 HH11 ARG 9 HH11 ARG 9 -8.946 -2.656 -39.073 68 HH12 ARG 9 HH12 ARG 9 -8.320 -3.834 -40.174 69 HH21 ARG 9 HH21 ARG 9 -5.002 -3.151 -39.461 70 HH22 ARG 9 HH22 ARG 9 -6.101 -4.111 -40.392 71 H LEU 10 HN LEU 10 -3.687 1.743 -37.278 72 HA LEU 10 HA LEU 10 -3.027 0.278 -34.997 73 HB2 LEU 10 HB2 LEU 10 -1.739 0.323 -37.156 74 HB3 LEU 10 HB1 LEU 10 -1.117 1.898 -36.684 75 HG LEU 10 HG LEU 10 -0.891 -0.309 -34.674 76 HD11 LEU 10 HD11 LEU 10 1.248 -1.053 -35.714 77 HD12 LEU 10 HD12 LEU 10 0.837 -0.110 -37.149 78 HD13 LEU 10 HD13 LEU 10 -0.176 -1.473 -36.665 79 HD21 LEU 10 HD21 LEU 10 -0.029 1.814 -33.992 80 HD22 LEU 10 HD22 LEU 10 0.778 2.061 -35.538 81 HD23 LEU 10 HD23 LEU 10 1.378 0.845 -34.411 82 H ARG 11 HN ARG 11 -2.929 3.729 -35.668 83 HA ARG 11 HA ARG 11 -1.276 4.518 -33.491 84 HB2 ARG 11 HB2 ARG 11 -1.829 5.888 -35.542 85 HB3 ARG 11 HB1 ARG 11 -3.426 6.157 -34.840 86 HG2 ARG 11 HG2 ARG 11 -2.317 7.045 -32.784 87 HG3 ARG 11 HG1 ARG 11 -0.760 6.910 -33.599 88 HD2 ARG 11 HD2 ARG 11 -3.128 8.554 -34.505 89 HD3 ARG 11 HD1 ARG 11 -1.662 9.197 -33.779 90 HE ARG 11 HE ARG 11 -0.524 8.121 -35.823 91 HH11 ARG 11 HH11 ARG 11 -3.745 9.485 -35.896 92 HH12 ARG 11 HH12 ARG 11 -3.664 9.826 -37.588 93 HH21 ARG 11 HH21 ARG 11 -0.474 8.629 -38.027 94 HH22 ARG 11 HH22 ARG 11 -1.866 9.346 -38.766 95 H ARG 12 HN ARG 12 -4.795 4.201 -33.907 96 HA ARG 12 HA ARG 12 -5.532 5.292 -31.408 97 HB2 ARG 12 HB2 ARG 12 -6.930 3.333 -33.241 98 HB3 ARG 12 HB1 ARG 12 -7.670 4.038 -31.802 99 HG2 ARG 12 HG2 ARG 12 -7.321 6.296 -32.692 100 HG3 ARG 12 HG1 ARG 12 -6.525 5.628 -34.119 101 HD2 ARG 12 HD2 ARG 12 -8.597 4.381 -34.671 102 HD3 ARG 12 HD1 ARG 12 -9.388 5.110 -33.278 103 HE ARG 12 HE ARG 12 -8.388 7.181 -34.876 104 HH11 ARG 12 HH11 ARG 12 -10.765 4.640 -35.042 105 HH12 ARG 12 HH12 ARG 12 -11.792 5.508 -36.130 106 HH21 ARG 12 HH21 ARG 12 -9.743 8.291 -36.295 107 HH22 ARG 12 HH22 ARG 12 -11.217 7.561 -36.833 108 H ILE 13 HN ILE 13 -4.764 1.994 -32.472 109 HA ILE 13 HA ILE 13 -5.553 0.672 -30.111 110 HB ILE 13 HB ILE 13 -3.458 -0.043 -32.181 111 HG12 ILE 13 HG12 ILE 13 -6.242 -1.167 -31.774 112 HG13 ILE 13 HG11 ILE 13 -5.920 0.196 -32.845 113 HG21 ILE 13 HG21 ILE 13 -3.836 -2.388 -31.255 114 HG22 ILE 13 HG22 ILE 13 -4.649 -1.627 -29.887 115 HG23 ILE 13 HG23 ILE 13 -2.944 -1.298 -30.193 116 HD11 ILE 13 HD11 ILE 13 -5.886 -1.829 -34.176 117 HD12 ILE 13 HD12 ILE 13 -4.753 -2.593 -33.060 118 HD13 ILE 13 HD13 ILE 13 -4.233 -1.225 -34.045 119 H GLN 14 HN GLN 14 -2.407 2.101 -31.109 120 HA GLN 14 HA GLN 14 -0.909 1.243 -28.927 121 HB2 GLN 14 HB2 GLN 14 -0.020 2.238 -31.060 122 HB3 GLN 14 HB1 GLN 14 -0.561 3.814 -30.481 123 HG2 GLN 14 HG2 GLN 14 0.856 3.597 -28.495 124 HG3 GLN 14 HG1 GLN 14 1.375 1.997 -29.019 125 HE21 GLN 14 HE21 GLN 14 2.985 4.551 -28.647 126 HE22 GLN 14 HE22 GLN 14 3.755 4.793 -30.141 127 H GLU 15 HN GLU 15 -2.977 4.102 -29.361 128 HA GLU 15 HA GLU 15 -2.191 5.486 -27.023 129 HB2 GLU 15 HB2 GLU 15 -4.704 5.554 -28.699 130 HB3 GLU 15 HB1 GLU 15 -4.387 6.658 -27.363 131 HG2 GLU 15 HG2 GLU 15 -2.564 6.305 -29.757 132 HG3 GLU 15 HG1 GLU 15 -3.739 7.605 -29.583 133 H GLU 16 HN GLU 16 -4.753 3.115 -27.699 134 HA GLU 16 HA GLU 16 -6.053 3.337 -25.201 135 HB2 GLU 16 HB2 GLU 16 -5.912 1.071 -27.198 136 HB3 GLU 16 HB1 GLU 16 -6.946 1.053 -25.769 137 HG2 GLU 16 HG2 GLU 16 -7.014 3.175 -27.933 138 HG3 GLU 16 HG1 GLU 16 -8.161 1.847 -27.783 139 H MET 17 HN MET 17 -3.411 1.228 -26.331 140 HA MET 17 HA MET 17 -3.222 -0.388 -24.060 141 HB2 MET 17 HB2 MET 17 -1.174 0.462 -26.115 142 HB3 MET 17 HB1 MET 17 -0.845 -0.725 -24.852 143 HG2 MET 17 HG2 MET 17 -2.716 -2.113 -25.657 144 HG3 MET 17 HG1 MET 17 -3.055 -0.928 -26.920 145 HE1 MET 17 HE1 MET 17 -2.587 -3.974 -27.294 146 HE2 MET 17 HE2 MET 17 -1.540 -4.076 -28.708 147 HE3 MET 17 HE3 MET 17 -2.880 -2.933 -28.692 148 H GLU 18 HN GLU 18 -1.778 2.756 -24.821 149 HA GLU 18 HA GLU 18 0.023 2.889 -22.641 150 HB2 GLU 18 HB2 GLU 18 -1.352 5.017 -24.287 151 HB3 GLU 18 HB1 GLU 18 -0.152 5.384 -23.047 152 HG2 GLU 18 HG2 GLU 18 0.333 3.531 -25.395 153 HG3 GLU 18 HG1 GLU 18 0.828 5.220 -25.345 154 H LYS 19 HN LYS 19 -3.362 3.909 -23.008 155 HA LYS 19 HA LYS 19 -3.630 5.180 -20.495 156 HB2 LYS 19 HB2 LYS 19 -5.711 3.732 -22.165 157 HB3 LYS 19 HB1 LYS 19 -6.049 4.851 -20.844 158 HG2 LYS 19 HG2 LYS 19 -5.028 6.685 -22.032 159 HG3 LYS 19 HG1 LYS 19 -4.437 5.605 -23.293 160 HD2 LYS 19 HD2 LYS 19 -6.842 5.011 -23.793 161 HD3 LYS 19 HD1 LYS 19 -7.322 6.294 -22.679 162 HE2 LYS 19 HE2 LYS 19 -6.221 7.972 -24.027 163 HE3 LYS 19 HE1 LYS 19 -5.495 6.736 -25.055 164 HZ1 LYS 19 HZ1 LYS 19 -7.811 6.038 -25.619 165 HZ2 LYS 19 HZ2 LYS 19 -7.371 7.573 -26.194 166 HZ3 LYS 19 HZ3 LYS 19 -8.370 7.430 -24.827 167 H GLU 20 HN GLU 20 -4.169 1.837 -21.554 168 HA GLU 20 HA GLU 20 -5.150 0.834 -19.101 169 HB2 GLU 20 HB2 GLU 20 -3.726 -0.551 -21.384 170 HB3 GLU 20 HB1 GLU 20 -4.435 -1.397 -20.009 171 HG2 GLU 20 HG2 GLU 20 -6.635 -0.422 -20.535 172 HG3 GLU 20 HG1 GLU 20 -5.931 0.433 -21.904 173 H ARG 21 HN ARG 21 -1.893 1.067 -20.458 174 HA ARG 21 HA ARG 21 -0.530 -0.339 -18.431 175 HB2 ARG 21 HB2 ARG 21 0.349 1.856 -20.316 176 HB3 ARG 21 HB1 ARG 21 1.457 1.048 -19.206 177 HG2 ARG 21 HG2 ARG 21 0.958 -1.114 -20.209 178 HG3 ARG 21 HG1 ARG 21 -0.251 -0.385 -21.264 179 HD2 ARG 21 HD2 ARG 21 1.498 0.987 -22.330 180 HD3 ARG 21 HD1 ARG 21 2.708 0.293 -21.253 181 HE ARG 21 HE ARG 21 1.495 -0.981 -23.558 182 HH11 ARG 21 HH11 ARG 21 3.212 -1.458 -20.559 183 HH12 ARG 21 HH12 ARG 21 3.842 -2.999 -21.032 184 HH21 ARG 21 HH21 ARG 21 2.321 -2.999 -24.133 185 HH22 ARG 21 HH22 ARG 21 3.337 -3.864 -23.031 186 H LYS 22 HN LYS 22 -1.342 3.100 -18.771 187 HA LYS 22 HA LYS 22 -0.010 4.015 -16.455 188 HB2 LYS 22 HB2 LYS 22 -2.395 5.096 -17.965 189 HB3 LYS 22 HB1 LYS 22 -1.639 5.939 -16.612 190 HG2 LYS 22 HG2 LYS 22 0.518 5.934 -17.803 191 HG3 LYS 22 HG1 LYS 22 -0.227 5.084 -19.158 192 HD2 LYS 22 HD2 LYS 22 -1.777 6.968 -19.498 193 HD3 LYS 22 HD1 LYS 22 -1.047 7.820 -18.137 194 HE2 LYS 22 HE2 LYS 22 1.125 7.840 -19.303 195 HE3 LYS 22 HE1 LYS 22 0.408 6.977 -20.664 196 HZ1 LYS 22 HZ1 LYS 22 -1.125 8.825 -20.975 197 HZ2 LYS 22 HZ2 LYS 22 0.487 9.348 -21.082 198 HZ3 LYS 22 HZ3 LYS 22 -0.415 9.655 -19.677 199 H ARG 23 HN ARG 23 -3.299 2.821 -16.994 200 HA ARG 23 HA ARG 23 -4.321 3.361 -14.423 201 HB2 ARG 23 HB2 ARG 23 -5.702 2.728 -16.397 202 HB3 ARG 23 HB1 ARG 23 -5.062 1.089 -16.287 203 HG2 ARG 23 HG2 ARG 23 -5.978 0.889 -14.000 204 HG3 ARG 23 HG1 ARG 23 -6.631 2.521 -14.125 205 HD2 ARG 23 HD2 ARG 23 -7.966 1.794 -16.106 206 HD3 ARG 23 HD1 ARG 23 -7.391 0.148 -15.851 207 HE ARG 23 HE ARG 23 -8.837 -0.033 -14.049 208 HH11 ARG 23 HH11 ARG 23 -8.504 3.319 -14.951 209 HH12 ARG 23 HH12 ARG 23 -9.779 3.847 -13.909 210 HH21 ARG 23 HH21 ARG 23 -10.492 0.690 -12.698 211 HH22 ARG 23 HH22 ARG 23 -10.892 2.373 -12.644 212 H ARG 24 HN ARG 24 -2.628 0.522 -15.758 213 HA ARG 24 HA ARG 24 -2.882 -1.106 -13.463 214 HB2 ARG 24 HB2 ARG 24 -2.199 -1.935 -15.706 215 HB3 ARG 24 HB1 ARG 24 -0.661 -1.091 -15.520 216 HG2 ARG 24 HG2 ARG 24 -0.148 -2.416 -13.519 217 HG3 ARG 24 HG1 ARG 24 -1.702 -3.240 -13.651 218 HD2 ARG 24 HD2 ARG 24 -1.066 -4.130 -15.848 219 HD3 ARG 24 HD1 ARG 24 0.474 -3.282 -15.757 220 HE ARG 24 HE ARG 24 0.261 -4.909 -13.489 221 HH11 ARG 24 HH11 ARG 24 0.499 -5.235 -16.949 222 HH12 ARG 24 HH12 ARG 24 1.298 -6.768 -16.871 223 HH21 ARG 24 HH21 ARG 24 1.305 -6.908 -13.414 224 HH22 ARG 24 HH22 ARG 24 1.750 -7.707 -14.882 225 H GLU 25 HN GLU 25 -0.415 1.235 -14.490 226 HA GLU 25 HA GLU 25 1.404 0.778 -12.388 227 HB2 GLU 25 HB2 GLU 25 1.893 2.088 -14.465 228 HB3 GLU 25 HB1 GLU 25 0.876 3.384 -13.842 229 HG2 GLU 25 HG2 GLU 25 2.324 3.612 -11.879 230 HG3 GLU 25 HG1 GLU 25 3.329 2.281 -12.446 231 H GLU 26 HN GLU 26 -1.347 2.986 -12.703 232 HA GLU 26 HA GLU 26 -1.016 4.331 -10.238 233 HB2 GLU 26 HB2 GLU 26 -3.480 3.802 -11.912 234 HB3 GLU 26 HB1 GLU 26 -3.485 4.824 -10.476 235 HG2 GLU 26 HG2 GLU 26 -1.806 6.289 -11.481 236 HG3 GLU 26 HG1 GLU 26 -1.708 5.247 -12.892 237 H ASP 27 HN ASP 27 -2.824 1.432 -11.134 238 HA ASP 27 HA ASP 27 -4.027 0.937 -8.622 239 HB2 ASP 27 HB2 ASP 27 -4.603 -0.149 -10.860 240 HB3 ASP 27 HB1 ASP 27 -3.214 -1.200 -10.592 241 H GLU 28 HN GLU 28 -0.956 -0.073 -10.054 242 HA GLU 28 HA GLU 28 -0.153 -1.831 -7.992 243 HB2 GLU 28 HB2 GLU 28 0.926 -1.715 -10.226 244 HB3 GLU 28 HB1 GLU 28 1.609 -0.146 -9.791 245 HG2 GLU 28 HG2 GLU 28 3.291 -1.835 -9.373 246 HG3 GLU 28 HG1 GLU 28 2.706 -1.245 -7.821 247 H GLN 29 HN GLN 29 0.364 1.648 -8.491 248 HA GLN 29 HA GLN 29 2.020 2.089 -6.255 249 HB2 GLN 29 HB2 GLN 29 0.107 3.907 -7.733 250 HB3 GLN 29 HB1 GLN 29 1.176 4.471 -6.450 251 HG2 GLN 29 HG2 GLN 29 3.134 3.746 -7.700 252 HG3 GLN 29 HG1 GLN 29 2.114 3.028 -8.945 253 HE21 GLN 29 HE21 GLN 29 4.116 5.371 -9.032 254 HE22 GLN 29 HE22 GLN 29 3.227 6.635 -9.735 255 H ARG 30 HN ARG 30 -1.503 2.164 -6.638 256 HA ARG 30 HA ARG 30 -2.130 3.063 -4.033 257 HB2 ARG 30 HB2 ARG 30 -3.672 1.388 -6.023 258 HB3 ARG 30 HB1 ARG 30 -4.358 1.945 -4.495 259 HG2 ARG 30 HG2 ARG 30 -3.944 4.275 -5.117 260 HG3 ARG 30 HG1 ARG 30 -3.146 3.757 -6.603 261 HD2 ARG 30 HD2 ARG 30 -5.449 4.405 -7.101 262 HD3 ARG 30 HD1 ARG 30 -5.240 2.675 -7.343 263 HE ARG 30 HE ARG 30 -6.161 3.234 -4.704 264 HH11 ARG 30 HH11 ARG 30 -7.192 3.019 -8.024 265 HH12 ARG 30 HH12 ARG 30 -8.828 2.633 -7.617 266 HH21 ARG 30 HH21 ARG 30 -8.300 2.729 -4.199 267 HH22 ARG 30 HH22 ARG 30 -9.451 2.472 -5.466 268 H ARG 31 HN ARG 31 -1.696 -0.180 -5.392 269 HA ARG 31 HA ARG 31 -2.417 -1.635 -3.083 270 HB2 ARG 31 HB2 ARG 31 -2.167 -2.618 -5.368 271 HB3 ARG 31 HB1 ARG 31 -0.419 -2.441 -5.209 272 HG2 ARG 31 HG2 ARG 31 -0.360 -3.932 -3.316 273 HG3 ARG 31 HG1 ARG 31 -2.120 -3.977 -3.233 274 HD2 ARG 31 HD2 ARG 31 -1.366 -6.000 -4.331 275 HD3 ARG 31 HD1 ARG 31 -2.159 -4.971 -5.519 276 HE ARG 31 HE ARG 31 0.616 -4.440 -5.529 277 HH11 ARG 31 HH11 ARG 31 -1.691 -6.883 -6.448 278 HH12 ARG 31 HH12 ARG 31 -0.703 -7.504 -7.725 279 HH21 ARG 31 HH21 ARG 31 1.888 -5.277 -7.188 280 HH22 ARG 31 HH22 ARG 31 1.308 -6.595 -8.145 281 H ARG 32 HN ARG 32 0.681 -0.361 -4.218 282 HA ARG 32 HA ARG 32 2.300 -1.491 -2.193 283 HB2 ARG 32 HB2 ARG 32 3.069 -0.337 -4.327 284 HB3 ARG 32 HB1 ARG 32 2.761 1.191 -3.502 285 HG2 ARG 32 HG2 ARG 32 4.256 0.044 -1.602 286 HG3 ARG 32 HG1 ARG 32 4.864 -0.878 -2.975 287 HD2 ARG 32 HD2 ARG 32 6.278 1.054 -2.713 288 HD3 ARG 32 HD1 ARG 32 5.287 1.318 -4.147 289 HE ARG 32 HE ARG 32 4.272 3.082 -3.051 290 HH11 ARG 32 HH11 ARG 32 5.845 1.036 -0.701 291 HH12 ARG 32 HH12 ARG 32 5.533 2.121 0.614 292 HH21 ARG 32 HH21 ARG 32 3.897 4.473 -1.292 293 HH22 ARG 32 HH22 ARG 32 4.457 4.023 0.284 294 H LYS 33 HN LYS 33 0.586 1.601 -2.404 295 HA LYS 33 HA LYS 33 1.445 2.668 0.066 296 HB2 LYS 33 HB2 LYS 33 0.309 3.996 -1.712 297 HB3 LYS 33 HB1 LYS 33 -1.199 3.167 -1.324 298 HG2 LYS 33 HG2 LYS 33 -1.110 4.024 0.968 299 HG3 LYS 33 HG1 LYS 33 0.433 4.809 0.637 300 HD2 LYS 33 HD2 LYS 33 -0.669 6.172 -1.128 301 HD3 LYS 33 HD1 LYS 33 -2.211 5.423 -0.717 302 HE2 LYS 33 HE2 LYS 33 -0.484 7.007 1.207 303 HE3 LYS 33 HE1 LYS 33 -1.922 7.627 0.398 304 HZ1 LYS 33 HZ1 LYS 33 -2.967 5.474 1.444 305 HZ2 LYS 33 HZ2 LYS 33 -2.829 6.909 2.341 306 HZ3 LYS 33 HZ3 LYS 33 -1.700 5.661 2.556 307 H GLU 34 HN GLU 34 -1.345 0.675 -0.810 308 HA GLU 34 HA GLU 34 -2.618 0.668 1.701 309 HB2 GLU 34 HB2 GLU 34 -2.602 -1.330 -0.566 310 HB3 GLU 34 HB1 GLU 34 -3.594 -1.539 0.875 311 HG2 GLU 34 HG2 GLU 34 -4.729 0.570 0.451 312 HG3 GLU 34 HG1 GLU 34 -3.673 0.907 -0.918 313 H GLU 35 HN GLU 35 -0.131 -1.465 0.334 314 HA GLU 35 HA GLU 35 -0.033 -3.308 2.479 315 HB2 GLU 35 HB2 GLU 35 0.956 -3.679 0.207 316 HB3 GLU 35 HB1 GLU 35 2.227 -2.534 0.625 317 HG2 GLU 35 HG2 GLU 35 2.931 -3.922 2.493 318 HG3 GLU 35 HG1 GLU 35 1.596 -5.036 2.210 319 H GLU 36 HN GLU 36 1.685 -0.330 1.810 320 HA GLU 36 HA GLU 36 3.504 -0.453 3.998 321 HB2 GLU 36 HB2 GLU 36 3.718 1.088 2.019 322 HB3 GLU 36 HB1 GLU 36 2.413 2.055 2.708 323 HG2 GLU 36 HG2 GLU 36 3.721 2.474 4.714 324 HG3 GLU 36 HG1 GLU 36 4.998 1.404 4.147 325 H GLU 37 HN GLU 37 0.299 1.007 3.621 326 HA GLU 37 HA GLU 37 0.131 2.191 6.174 327 HB2 GLU 37 HB2 GLU 37 -1.406 2.586 4.193 328 HB3 GLU 37 HB1 GLU 37 -2.199 1.065 4.609 329 HG2 GLU 37 HG2 GLU 37 -3.446 2.804 5.695 330 HG3 GLU 37 HG1 GLU 37 -2.512 1.991 6.947 331 H ARG 38 HN ARG 38 -0.792 -1.027 4.991 332 HA ARG 38 HA ARG 38 -1.995 -1.944 7.377 333 HB2 ARG 38 HB2 ARG 38 -0.623 -3.390 5.104 334 HB3 ARG 38 HB1 ARG 38 -1.426 -4.236 6.429 335 HG2 ARG 38 HG2 ARG 38 -3.539 -3.137 5.907 336 HG3 ARG 38 HG1 ARG 38 -2.763 -2.168 4.653 337 HD2 ARG 38 HD2 ARG 38 -2.178 -4.228 3.425 338 HD3 ARG 38 HD1 ARG 38 -2.958 -5.192 4.672 339 HE ARG 38 HE ARG 38 -4.877 -3.410 3.781 340 HH11 ARG 38 HH11 ARG 38 -2.898 -5.916 2.387 341 HH12 ARG 38 HH12 ARG 38 -4.057 -6.318 1.168 342 HH21 ARG 38 HH21 ARG 38 -6.371 -3.955 2.182 343 HH22 ARG 38 HH22 ARG 38 -6.008 -5.215 1.053 344 H ARG 39 HN ARG 39 1.385 -2.164 6.174 345 HA ARG 39 HA ARG 39 2.406 -3.640 8.296 346 HB2 ARG 39 HB2 ARG 39 3.612 -3.170 6.180 347 HB3 ARG 39 HB1 ARG 39 3.792 -1.487 6.674 348 HG2 ARG 39 HG2 ARG 39 5.020 -2.229 8.698 349 HG3 ARG 39 HG1 ARG 39 4.885 -3.901 8.149 350 HD2 ARG 39 HD2 ARG 39 6.128 -3.345 6.103 351 HD3 ARG 39 HD1 ARG 39 6.219 -1.660 6.605 352 HE ARG 39 HE ARG 39 7.330 -3.389 8.584 353 HH11 ARG 39 HH11 ARG 39 7.972 -1.895 5.503 354 HH12 ARG 39 HH12 ARG 39 9.687 -1.900 5.723 355 HH21 ARG 39 HH21 ARG 39 9.571 -3.385 8.845 356 HH22 ARG 39 HH22 ARG 39 10.586 -2.739 7.602 357 H MET 40 HN MET 40 2.018 -0.122 7.899 358 HA MET 40 HA MET 40 3.343 0.665 10.247 359 HB2 MET 40 HB2 MET 40 1.129 1.917 8.613 360 HB3 MET 40 HB1 MET 40 1.802 2.710 10.036 361 HG2 MET 40 HG2 MET 40 3.474 1.743 7.703 362 HG3 MET 40 HG1 MET 40 2.882 3.396 7.865 363 HE1 MET 40 HE1 MET 40 5.164 4.239 7.602 364 HE2 MET 40 HE2 MET 40 6.094 4.692 9.029 365 HE3 MET 40 HE3 MET 40 4.414 5.204 8.879 366 H LYS 41 HN LYS 41 -0.040 -0.224 9.639 367 HA LYS 41 HA LYS 41 -1.036 0.366 12.217 368 HB2 LYS 41 HB2 LYS 41 -2.451 -0.071 10.210 369 HB3 LYS 41 HB1 LYS 41 -1.994 -1.771 10.295 370 HG2 LYS 41 HG2 LYS 41 -2.953 -1.926 12.557 371 HG3 LYS 41 HG1 LYS 41 -3.398 -0.222 12.489 372 HD2 LYS 41 HD2 LYS 41 -4.842 -0.679 10.535 373 HD3 LYS 41 HD1 LYS 41 -4.420 -2.389 10.628 374 HE2 LYS 41 HE2 LYS 41 -5.746 -0.812 12.855 375 HE3 LYS 41 HE1 LYS 41 -6.595 -1.883 11.740 376 HZ1 LYS 41 HZ1 LYS 41 -4.902 -3.621 12.511 377 HZ2 LYS 41 HZ2 LYS 41 -6.164 -3.216 13.573 378 HZ3 LYS 41 HZ3 LYS 41 -4.611 -2.576 13.814 379 H LEU 42 HN LEU 42 0.384 -2.544 10.809 380 HA LEU 42 HA LEU 42 -0.039 -4.263 13.023 381 HB2 LEU 42 HB2 LEU 42 2.029 -4.290 10.818 382 HB3 LEU 42 HB1 LEU 42 1.892 -5.566 12.026 383 HG LEU 42 HG LEU 42 -0.471 -4.678 10.360 384 HD11 LEU 42 HD11 LEU 42 -0.008 -6.534 8.854 385 HD12 LEU 42 HD12 LEU 42 1.416 -6.983 9.791 386 HD13 LEU 42 HD13 LEU 42 1.393 -5.466 8.893 387 HD21 LEU 42 HD21 LEU 42 0.197 -7.094 12.061 388 HD22 LEU 42 HD22 LEU 42 -1.168 -7.065 10.945 389 HD23 LEU 42 HD23 LEU 42 -1.111 -5.938 12.300 390 H GLU 43 HN GLU 43 2.654 -2.152 12.129 391 HA GLU 43 HA GLU 43 4.378 -2.818 14.260 392 HB2 GLU 43 HB2 GLU 43 5.026 -1.525 12.204 393 HB3 GLU 43 HB1 GLU 43 4.157 -0.142 12.864 394 HG2 GLU 43 HG2 GLU 43 5.597 -0.098 14.811 395 HG3 GLU 43 HG1 GLU 43 6.418 -1.562 14.286 396 H MET 44 HN MET 44 1.844 -0.377 13.931 397 HA MET 44 HA MET 44 2.263 0.937 16.393 398 HB2 MET 44 HB2 MET 44 -0.187 0.621 14.653 399 HB3 MET 44 HB1 MET 44 -0.199 1.572 16.139 400 HG2 MET 44 HG2 MET 44 1.623 2.975 15.281 401 HG3 MET 44 HG1 MET 44 1.690 2.010 13.805 402 HE1 MET 44 HE1 MET 44 0.205 5.167 12.319 403 HE2 MET 44 HE2 MET 44 1.388 3.867 12.192 404 HE3 MET 44 HE3 MET 44 1.481 5.007 13.532 405 H GLU 45 HN GLU 45 0.230 -1.828 15.529 406 HA GLU 45 HA GLU 45 -1.014 -2.202 18.034 407 HB2 GLU 45 HB2 GLU 45 -1.725 -3.281 15.884 408 HB3 GLU 45 HB1 GLU 45 -0.322 -4.342 16.008 409 HG2 GLU 45 HG2 GLU 45 -1.124 -5.173 18.176 410 HG3 GLU 45 HG1 GLU 45 -2.518 -4.101 18.083 411 H ALA 46 HN ALA 46 1.989 -3.457 16.663 412 HA ALA 46 HA ALA 46 2.665 -5.223 18.762 413 HB1 ALA 46 HB1 ALA 46 3.778 -5.226 16.538 414 HB2 ALA 46 HB2 ALA 46 4.935 -5.150 17.868 415 HB3 ALA 46 HB3 ALA 46 4.554 -3.696 16.948 416 H LYS 47 HN LYS 47 3.437 -1.805 18.200 417 HA LYS 47 HA LYS 47 5.092 -1.427 20.433 418 HB2 LYS 47 HB2 LYS 47 3.309 0.441 18.875 419 HB3 LYS 47 HB1 LYS 47 4.238 1.012 20.260 420 HG2 LYS 47 HG2 LYS 47 6.315 0.216 19.205 421 HG3 LYS 47 HG1 LYS 47 5.388 -0.396 17.834 422 HD2 LYS 47 HD2 LYS 47 4.762 1.790 17.142 423 HD3 LYS 47 HD1 LYS 47 5.271 2.509 18.669 424 HE2 LYS 47 HE2 LYS 47 6.941 2.976 16.943 425 HE3 LYS 47 HE1 LYS 47 7.616 1.892 18.156 426 HZ1 LYS 47 HZ1 LYS 47 6.598 0.135 16.435 427 HZ2 LYS 47 HZ2 LYS 47 8.193 0.708 16.354 428 HZ3 LYS 47 HZ3 LYS 47 6.999 1.386 15.365 429 H ARG 48 HN ARG 48 1.559 -1.151 20.107 430 HA ARG 48 HA ARG 48 1.039 -0.277 22.736 431 HB2 ARG 48 HB2 ARG 48 -0.656 -1.882 20.803 432 HB3 ARG 48 HB1 ARG 48 -1.261 -1.182 22.302 433 HG2 ARG 48 HG2 ARG 48 0.055 0.423 20.095 434 HG3 ARG 48 HG1 ARG 48 -1.690 0.244 20.271 435 HD2 ARG 48 HD2 ARG 48 -1.476 1.177 22.600 436 HD3 ARG 48 HD1 ARG 48 0.230 1.450 22.272 437 HE ARG 48 HE ARG 48 -1.633 2.693 20.416 438 HH11 ARG 48 HH11 ARG 48 0.416 3.041 23.235 439 HH12 ARG 48 HH12 ARG 48 0.476 4.761 23.103 440 HH21 ARG 48 HH21 ARG 48 -1.525 4.925 20.293 441 HH22 ARG 48 HH22 ARG 48 -0.612 5.821 21.459 442 H LYS 49 HN LYS 49 1.302 -3.483 21.329 443 HA LYS 49 HA LYS 49 0.533 -4.960 23.616 444 HB2 LYS 49 HB2 LYS 49 0.781 -5.907 21.307 445 HB3 LYS 49 HB1 LYS 49 2.531 -5.809 21.500 446 HG2 LYS 49 HG2 LYS 49 2.434 -7.293 23.440 447 HG3 LYS 49 HG1 LYS 49 0.674 -7.353 23.337 448 HD2 LYS 49 HD2 LYS 49 0.886 -8.329 21.046 449 HD3 LYS 49 HD1 LYS 49 2.636 -8.367 21.256 450 HE2 LYS 49 HE2 LYS 49 0.626 -9.778 23.035 451 HE3 LYS 49 HE1 LYS 49 1.614 -10.556 21.800 452 HZ1 LYS 49 HZ1 LYS 49 2.825 -10.880 23.727 453 HZ2 LYS 49 HZ2 LYS 49 2.452 -9.349 24.356 454 HZ3 LYS 49 HZ3 LYS 49 3.561 -9.496 23.078 455 H GLN 50 HN GLN 50 3.708 -3.816 22.509 456 HA GLN 50 HA GLN 50 5.247 -4.967 24.584 457 HB2 GLN 50 HB2 GLN 50 5.711 -2.505 22.884 458 HB3 GLN 50 HB1 GLN 50 6.913 -3.184 23.982 459 HG2 GLN 50 HG2 GLN 50 6.868 -5.309 22.778 460 HG3 GLN 50 HG1 GLN 50 5.594 -4.708 21.718 461 HE21 GLN 50 HE21 GLN 50 8.892 -5.194 21.798 462 HE22 GLN 50 HE22 GLN 50 9.367 -4.009 20.681 463 H GLU 51 HN GLU 51 3.671 -1.807 24.254 464 HA GLU 51 HA GLU 51 4.569 -0.670 26.659 465 HB2 GLU 51 HB2 GLU 51 2.044 -0.204 25.058 466 HB3 GLU 51 HB1 GLU 51 2.509 0.769 26.454 467 HG2 GLU 51 HG2 GLU 51 4.546 1.466 25.371 468 HG3 GLU 51 HG1 GLU 51 4.262 0.377 24.021 469 H GLU 52 HN GLU 52 1.727 -2.661 25.915 470 HA GLU 52 HA GLU 52 0.443 -2.489 28.413 471 HB2 GLU 52 HB2 GLU 52 -0.495 -3.430 26.237 472 HB3 GLU 52 HB1 GLU 52 0.410 -4.904 26.596 473 HG2 GLU 52 HG2 GLU 52 -1.807 -5.203 27.486 474 HG3 GLU 52 HG1 GLU 52 -0.722 -4.946 28.849 475 H GLU 53 HN GLU 53 2.907 -4.695 27.183 476 HA GLU 53 HA GLU 53 2.970 -6.496 29.368 477 HB2 GLU 53 HB2 GLU 53 5.094 -5.717 27.359 478 HB3 GLU 53 HB1 GLU 53 5.289 -7.014 28.540 479 HG2 GLU 53 HG2 GLU 53 2.990 -6.877 26.580 480 HG3 GLU 53 HG1 GLU 53 4.470 -7.779 26.272 481 H GLU 54 HN GLU 54 4.799 -3.526 28.682 482 HA GLU 54 HA GLU 54 6.481 -3.597 30.935 483 HB2 GLU 54 HB2 GLU 54 5.438 -1.281 29.293 484 HB3 GLU 54 HB1 GLU 54 6.654 -1.107 30.558 485 HG2 GLU 54 HG2 GLU 54 8.118 -2.696 29.389 486 HG3 GLU 54 HG1 GLU 54 6.899 -2.912 28.135 487 H ARG 55 HN ARG 55 3.263 -2.207 30.433 488 HA ARG 55 HA ARG 55 3.051 -0.869 32.908 489 HB2 ARG 55 HB2 ARG 55 0.937 -2.053 31.098 490 HB3 ARG 55 HB1 ARG 55 0.561 -1.090 32.528 491 HG2 ARG 55 HG2 ARG 55 1.992 0.748 31.578 492 HG3 ARG 55 HG1 ARG 55 2.155 -0.206 30.105 493 HD2 ARG 55 HD2 ARG 55 -0.381 -0.267 29.984 494 HD3 ARG 55 HD1 ARG 55 -0.391 0.915 31.289 495 HE ARG 55 HE ARG 55 0.426 2.533 29.816 496 HH11 ARG 55 HH11 ARG 55 0.402 -0.608 28.299 497 HH12 ARG 55 HH12 ARG 55 0.662 0.028 26.714 498 HH21 ARG 55 HH21 ARG 55 0.783 3.325 27.727 499 HH22 ARG 55 HH22 ARG 55 0.893 2.225 26.397 500 H LYS 56 HN LYS 56 2.186 -4.168 31.957 501 HA LYS 56 HA LYS 56 1.026 -4.998 34.400 502 HB2 LYS 56 HB2 LYS 56 0.837 -6.246 32.251 503 HB3 LYS 56 HB1 LYS 56 2.535 -6.697 32.397 504 HG2 LYS 56 HG2 LYS 56 2.096 -7.861 34.486 505 HG3 LYS 56 HG1 LYS 56 0.415 -7.329 34.467 506 HD2 LYS 56 HD2 LYS 56 0.057 -8.569 32.353 507 HD3 LYS 56 HD1 LYS 56 1.730 -9.126 32.405 508 HE2 LYS 56 HE2 LYS 56 -0.277 -9.630 34.618 509 HE3 LYS 56 HE1 LYS 56 0.062 -10.785 33.329 510 HZ1 LYS 56 HZ1 LYS 56 1.773 -9.910 35.546 511 HZ2 LYS 56 HZ2 LYS 56 2.511 -10.361 34.084 512 HZ3 LYS 56 HZ3 LYS 56 1.531 -11.468 34.920 513 H LYS 57 HN LYS 57 4.342 -5.072 33.195 514 HA LYS 57 HA LYS 57 5.487 -6.487 35.372 515 HB2 LYS 57 HB2 LYS 57 6.642 -6.152 33.202 516 HB3 LYS 57 HB1 LYS 57 6.804 -4.436 33.575 517 HG2 LYS 57 HG2 LYS 57 8.111 -4.985 35.587 518 HG3 LYS 57 HG1 LYS 57 7.931 -6.704 35.244 519 HD2 LYS 57 HD2 LYS 57 9.143 -6.434 33.128 520 HD3 LYS 57 HD1 LYS 57 9.282 -4.699 33.414 521 HE2 LYS 57 HE2 LYS 57 11.360 -5.844 34.066 522 HE3 LYS 57 HE1 LYS 57 10.568 -5.142 35.477 523 HZ1 LYS 57 HZ1 LYS 57 9.919 -7.180 36.249 524 HZ2 LYS 57 HZ2 LYS 57 11.408 -7.582 35.537 525 HZ3 LYS 57 HZ3 LYS 57 9.954 -7.914 34.720 526 H ARG 58 HN ARG 58 5.038 -3.034 34.727 527 HA ARG 58 HA ARG 58 6.364 -2.068 37.022 528 HB2 ARG 58 HB2 ARG 58 5.740 -0.646 35.079 529 HB3 ARG 58 HB1 ARG 58 4.047 -0.791 35.555 530 HG2 ARG 58 HG2 ARG 58 4.515 0.256 37.705 531 HG3 ARG 58 HG1 ARG 58 6.236 0.331 37.331 532 HD2 ARG 58 HD2 ARG 58 4.075 1.667 35.684 533 HD3 ARG 58 HD1 ARG 58 5.015 2.491 36.926 534 HE ARG 58 HE ARG 58 6.822 1.293 35.159 535 HH11 ARG 58 HH11 ARG 58 4.372 3.767 35.123 536 HH12 ARG 58 HH12 ARG 58 5.139 4.679 33.870 537 HH21 ARG 58 HH21 ARG 58 7.806 2.501 33.524 538 HH22 ARG 58 HH22 ARG 58 7.071 3.966 32.971 539 H GLU 59 HN GLU 59 2.985 -2.987 36.439 540 HA GLU 59 HA GLU 59 1.940 -2.135 38.912 541 HB2 GLU 59 HB2 GLU 59 1.069 -4.302 36.992 542 HB3 GLU 59 HB1 GLU 59 0.141 -3.831 38.417 543 HG2 GLU 59 HG2 GLU 59 -0.096 -1.573 37.595 544 HG3 GLU 59 HG1 GLU 59 0.994 -1.890 36.252 545 H ASP 60 HN ASP 60 3.370 -5.212 37.885 546 HA ASP 60 HA ASP 60 2.795 -6.706 40.215 547 HB2 ASP 60 HB2 ASP 60 3.574 -7.641 38.012 548 HB3 ASP 60 HB1 ASP 60 5.187 -7.043 38.400 549 H ASP 61 HN ASP 61 5.601 -4.662 39.319 550 HA ASP 61 HA ASP 61 7.221 -5.269 41.511 551 HB2 ASP 61 HB2 ASP 61 7.047 -3.022 39.543 552 HB3 ASP 61 HB1 ASP 61 8.094 -2.861 40.955 553 H GLU 62 HN GLU 62 4.642 -2.840 41.083 554 HA GLU 62 HA GLU 62 5.109 -1.376 43.439 555 HB2 GLU 62 HB2 GLU 62 2.672 -1.711 41.694 556 HB3 GLU 62 HB1 GLU 62 2.775 -0.580 43.042 557 HG2 GLU 62 HG2 GLU 62 4.690 0.536 42.004 558 HG3 GLU 62 HG1 GLU 62 4.676 -0.627 40.680 559 H LYS 63 HN LYS 63 3.037 -4.152 42.658 560 HA LYS 63 HA LYS 63 1.533 -4.193 45.020 561 HB2 LYS 63 HB2 LYS 63 2.325 -6.411 43.120 562 HB3 LYS 63 HB1 LYS 63 1.185 -6.626 44.444 563 HG2 LYS 63 HG2 LYS 63 -0.243 -4.843 43.513 564 HG3 LYS 63 HG1 LYS 63 0.896 -4.623 42.186 565 HD2 LYS 63 HD2 LYS 63 0.532 -6.957 41.477 566 HD3 LYS 63 HD1 LYS 63 -0.610 -7.183 42.804 567 HE2 LYS 63 HE2 LYS 63 -2.048 -5.405 41.874 568 HE3 LYS 63 HE1 LYS 63 -0.908 -5.173 40.549 569 HZ1 LYS 63 HZ1 LYS 63 -2.693 -7.450 41.083 570 HZ2 LYS 63 HZ2 LYS 63 -1.262 -7.694 40.201 571 HZ3 LYS 63 HZ3 LYS 63 -2.436 -6.605 39.634 572 H ARG 64 HN ARG 64 4.691 -5.743 44.227 573 HA ARG 64 HA ARG 64 4.806 -7.071 46.773 574 HB2 ARG 64 HB2 ARG 64 6.840 -6.562 44.593 575 HB3 ARG 64 HB1 ARG 64 7.126 -7.578 46.009 576 HG2 ARG 64 HG2 ARG 64 5.316 -9.070 45.371 577 HG3 ARG 64 HG1 ARG 64 4.863 -8.008 44.034 578 HD2 ARG 64 HD2 ARG 64 7.102 -8.355 43.024 579 HD3 ARG 64 HD1 ARG 64 7.501 -9.471 44.326 580 HE ARG 64 HE ARG 64 5.162 -10.435 43.216 581 HH11 ARG 64 HH11 ARG 64 8.366 -9.687 42.063 582 HH12 ARG 64 HH12 ARG 64 8.326 -10.888 40.819 583 HH21 ARG 64 HH21 ARG 64 5.144 -11.997 41.591 584 HH22 ARG 64 HH22 ARG 64 6.517 -12.186 40.556 585 H ILE 65 HN ILE 65 4.871 -3.865 46.159 586 HA ILE 65 HA ILE 65 6.700 -3.377 48.381 587 HB ILE 65 HB ILE 65 7.749 -2.921 46.057 588 HG12 ILE 65 HG12 ILE 65 8.697 -0.690 46.962 589 HG13 ILE 65 HG11 ILE 65 7.645 -0.957 48.349 590 HG21 ILE 65 HG21 ILE 65 5.682 -1.752 45.233 591 HG22 ILE 65 HG22 ILE 65 7.178 -0.851 44.978 592 HG23 ILE 65 HG23 ILE 65 6.088 -0.409 46.296 593 HD11 ILE 65 HD11 ILE 65 8.704 -3.158 48.728 594 HD12 ILE 65 HD12 ILE 65 9.894 -1.859 48.773 595 HD13 ILE 65 HD13 ILE 65 9.759 -2.882 47.343 596 H GLN 66 HN GLN 66 3.645 -3.248 47.375 597 HA GLN 66 HA GLN 66 1.815 -1.917 47.751 598 HB2 GLN 66 HB2 GLN 66 3.453 -1.489 50.252 599 HB3 GLN 66 HB1 GLN 66 1.769 -0.993 50.088 600 HG2 GLN 66 HG2 GLN 66 1.116 -3.318 49.617 601 HG3 GLN 66 HG1 GLN 66 2.801 -3.825 49.740 602 HE21 GLN 66 HE21 GLN 66 -0.019 -3.704 51.518 603 HE22 GLN 66 HE22 GLN 66 0.646 -3.658 53.079 604 H ALA 67 HN ALA 67 3.617 -0.661 46.060 605 HA ALA 67 HA ALA 67 4.372 1.941 46.856 606 HB1 ALA 67 HB1 ALA 67 4.084 2.303 44.226 607 HB2 ALA 67 HB2 ALA 67 4.024 0.540 44.249 608 HB3 ALA 67 HB3 ALA 67 5.429 1.383 44.899 609 H GLU 68 HN GLU 68 1.403 0.655 45.477 610 HA GLU 68 HA GLU 68 0.167 3.314 45.477 611 HB2 GLU 68 HB2 GLU 68 -1.685 2.216 44.290 612 HB3 GLU 68 HB1 GLU 68 -0.148 1.921 43.481 613 HG2 GLU 68 HG2 GLU 68 -0.001 -0.297 44.476 614 HG3 GLU 68 HG1 GLU 68 -1.454 -0.000 45.425 Start of MODEL 7 1 HA LYS 1 HA LYS 1 -4.291 5.337 -50.096 2 HB2 LYS 1 HB2 LYS 1 -5.820 7.105 -48.172 3 HB3 LYS 1 HB1 LYS 1 -4.714 7.648 -49.426 4 HG2 LYS 1 HG2 LYS 1 -6.651 7.881 -50.621 5 HG3 LYS 1 HG1 LYS 1 -6.384 6.174 -50.956 6 HD2 LYS 1 HD2 LYS 1 -7.856 5.543 -49.114 7 HD3 LYS 1 HD1 LYS 1 -8.065 7.235 -48.667 8 HE2 LYS 1 HE2 LYS 1 -9.102 7.677 -50.869 9 HE3 LYS 1 HE1 LYS 1 -8.902 5.978 -51.298 10 HZ1 LYS 1 HZ1 LYS 1 -10.180 6.253 -48.770 11 HZ2 LYS 1 HZ2 LYS 1 -10.712 5.445 -50.164 12 HZ3 LYS 1 HZ3 LYS 1 -11.030 7.102 -49.967 13 H GLN 2 HN GLN 2 -2.531 6.770 -49.161 14 HA GLN 2 HA GLN 2 -1.077 5.334 -47.223 15 HB2 GLN 2 HB2 GLN 2 -0.745 8.142 -48.301 16 HB3 GLN 2 HB1 GLN 2 0.411 7.373 -47.214 17 HG2 GLN 2 HG2 GLN 2 0.779 5.570 -48.811 18 HG3 GLN 2 HG1 GLN 2 -0.457 6.225 -49.883 19 HE21 GLN 2 HE21 GLN 2 0.120 8.025 -51.230 20 HE22 GLN 2 HE22 GLN 2 1.695 8.654 -51.289 21 H GLN 3 HN GLN 3 -3.027 8.279 -46.992 22 HA GLN 3 HA GLN 3 -2.420 8.901 -44.301 23 HB2 GLN 3 HB2 GLN 3 -4.830 9.541 -46.014 24 HB3 GLN 3 HB1 GLN 3 -4.573 10.202 -44.400 25 HG2 GLN 3 HG2 GLN 3 -2.602 10.485 -46.684 26 HG3 GLN 3 HG1 GLN 3 -3.780 11.717 -46.235 27 HE21 GLN 3 HE21 GLN 3 -0.587 11.134 -45.889 28 HE22 GLN 3 HE22 GLN 3 -0.324 11.784 -44.343 29 H GLU 4 HN GLU 4 -4.940 6.905 -45.783 30 HA GLU 4 HA GLU 4 -6.402 6.367 -43.427 31 HB2 GLU 4 HB2 GLU 4 -6.097 4.809 -45.997 32 HB3 GLU 4 HB1 GLU 4 -7.199 4.334 -44.705 33 HG2 GLU 4 HG2 GLU 4 -8.338 6.513 -44.868 34 HG3 GLU 4 HG1 GLU 4 -7.229 7.001 -46.145 35 H GLU 5 HN GLU 5 -3.646 4.734 -44.937 36 HA GLU 5 HA GLU 5 -3.566 2.508 -43.180 37 HB2 GLU 5 HB2 GLU 5 -1.416 3.849 -44.836 38 HB3 GLU 5 HB1 GLU 5 -1.179 2.332 -43.968 39 HG2 GLU 5 HG2 GLU 5 -2.988 1.290 -45.249 40 HG3 GLU 5 HG1 GLU 5 -3.305 2.812 -46.073 41 H GLU 6 HN GLU 6 -1.976 5.709 -43.136 42 HA GLU 6 HA GLU 6 -0.375 5.222 -40.886 43 HB2 GLU 6 HB2 GLU 6 -0.205 7.191 -42.429 44 HB3 GLU 6 HB1 GLU 6 -1.660 7.848 -41.686 45 HG2 GLU 6 HG2 GLU 6 0.229 8.860 -40.588 46 HG3 GLU 6 HG1 GLU 6 -0.500 7.722 -39.462 47 H ALA 7 HN ALA 7 -3.679 6.517 -41.170 48 HA ALA 7 HA ALA 7 -4.131 7.064 -38.489 49 HB1 ALA 7 HB1 ALA 7 -6.501 6.921 -39.007 50 HB2 ALA 7 HB2 ALA 7 -6.161 5.949 -40.440 51 HB3 ALA 7 HB3 ALA 7 -5.668 7.642 -40.385 52 H GLU 8 HN GLU 8 -4.539 3.981 -40.254 53 HA GLU 8 HA GLU 8 -5.646 2.506 -38.105 54 HB2 GLU 8 HB2 GLU 8 -3.977 1.681 -40.490 55 HB3 GLU 8 HB1 GLU 8 -4.730 0.526 -39.391 56 HG2 GLU 8 HG2 GLU 8 -6.944 1.474 -39.904 57 HG3 GLU 8 HG1 GLU 8 -6.197 2.658 -40.976 58 H ARG 9 HN ARG 9 -2.307 3.069 -39.164 59 HA ARG 9 HA ARG 9 -1.079 1.391 -37.237 60 HB2 ARG 9 HB2 ARG 9 0.072 2.330 -39.252 61 HB3 ARG 9 HB1 ARG 9 0.079 3.907 -38.463 62 HG2 ARG 9 HG2 ARG 9 1.312 2.859 -36.533 63 HG3 ARG 9 HG1 ARG 9 1.418 1.375 -37.479 64 HD2 ARG 9 HD2 ARG 9 2.498 4.066 -38.356 65 HD3 ARG 9 HD1 ARG 9 3.472 2.757 -37.693 66 HE ARG 9 HE ARG 9 2.349 2.917 -40.353 67 HH11 ARG 9 HH11 ARG 9 3.574 0.768 -37.890 68 HH12 ARG 9 HH12 ARG 9 3.981 -0.475 -39.023 69 HH21 ARG 9 HH21 ARG 9 2.870 1.274 -41.787 70 HH22 ARG 9 HH22 ARG 9 3.582 -0.192 -41.207 71 H LEU 10 HN LEU 10 -1.895 4.838 -37.264 72 HA LEU 10 HA LEU 10 -0.839 5.560 -34.795 73 HB2 LEU 10 HB2 LEU 10 -1.572 7.190 -36.529 74 HB3 LEU 10 HB1 LEU 10 -3.246 6.781 -36.151 75 HG LEU 10 HG LEU 10 -2.739 7.405 -33.745 76 HD11 LEU 10 HD11 LEU 10 -0.213 8.426 -35.054 77 HD12 LEU 10 HD12 LEU 10 -0.351 7.301 -33.703 78 HD13 LEU 10 HD13 LEU 10 -0.790 8.994 -33.487 79 HD21 LEU 10 HD21 LEU 10 -2.586 9.469 -35.952 80 HD22 LEU 10 HD22 LEU 10 -2.776 9.889 -34.249 81 HD23 LEU 10 HD23 LEU 10 -4.014 8.934 -35.063 82 H ARG 11 HN ARG 11 -3.931 4.129 -35.660 83 HA ARG 11 HA ARG 11 -5.275 4.608 -33.190 84 HB2 ARG 11 HB2 ARG 11 -5.702 2.715 -35.480 85 HB3 ARG 11 HB1 ARG 11 -6.690 2.605 -34.025 86 HG2 ARG 11 HG2 ARG 11 -7.256 5.040 -34.329 87 HG3 ARG 11 HG1 ARG 11 -6.399 5.003 -35.869 88 HD2 ARG 11 HD2 ARG 11 -7.912 3.180 -36.635 89 HD3 ARG 11 HD1 ARG 11 -8.775 3.287 -35.105 90 HE ARG 11 HE ARG 11 -9.731 5.294 -35.789 91 HH11 ARG 11 HH11 ARG 11 -7.292 4.297 -38.092 92 HH12 ARG 11 HH12 ARG 11 -7.816 5.430 -39.289 93 HH21 ARG 11 HH21 ARG 11 -10.329 6.781 -37.357 94 HH22 ARG 11 HH22 ARG 11 -9.490 6.836 -38.868 95 H ARG 12 HN ARG 12 -3.327 1.920 -34.432 96 HA ARG 12 HA ARG 12 -3.794 0.170 -32.262 97 HB2 ARG 12 HB2 ARG 12 -2.585 -0.066 -34.686 98 HB3 ARG 12 HB1 ARG 12 -1.174 0.008 -33.637 99 HG2 ARG 12 HG2 ARG 12 -3.473 -1.804 -32.937 100 HG3 ARG 12 HG1 ARG 12 -2.287 -2.317 -34.131 101 HD2 ARG 12 HD2 ARG 12 -1.495 -1.298 -31.398 102 HD3 ARG 12 HD1 ARG 12 -1.834 -2.997 -31.704 103 HE ARG 12 HE ARG 12 0.042 -1.986 -33.593 104 HH11 ARG 12 HH11 ARG 12 -0.236 -2.981 -30.258 105 HH12 ARG 12 HH12 ARG 12 1.429 -3.433 -30.137 106 HH21 ARG 12 HH21 ARG 12 2.195 -2.596 -33.401 107 HH22 ARG 12 HH22 ARG 12 2.792 -3.219 -31.901 108 H ILE 13 HN ILE 13 -1.339 2.651 -32.885 109 HA ILE 13 HA ILE 13 0.321 2.047 -30.690 110 HB ILE 13 HB ILE 13 -0.161 4.664 -32.140 111 HG12 ILE 13 HG12 ILE 13 2.177 2.747 -32.324 112 HG13 ILE 13 HG11 ILE 13 0.779 2.640 -33.390 113 HG21 ILE 13 HG21 ILE 13 0.785 5.144 -29.950 114 HG22 ILE 13 HG22 ILE 13 2.067 5.292 -31.151 115 HG23 ILE 13 HG23 ILE 13 1.970 3.854 -30.137 116 HD11 ILE 13 HD11 ILE 13 2.706 3.981 -34.331 117 HD12 ILE 13 HD12 ILE 13 2.418 5.162 -33.052 118 HD13 ILE 13 HD13 ILE 13 1.172 4.850 -34.260 119 H GLN 14 HN GLN 14 -2.487 4.259 -31.013 120 HA GLN 14 HA GLN 14 -2.369 5.394 -28.475 121 HB2 GLN 14 HB2 GLN 14 -4.685 4.880 -30.350 122 HB3 GLN 14 HB1 GLN 14 -4.820 5.827 -28.871 123 HG2 GLN 14 HG2 GLN 14 -2.850 6.429 -31.091 124 HG3 GLN 14 HG1 GLN 14 -4.415 7.220 -30.920 125 HE21 GLN 14 HE21 GLN 14 -4.740 8.144 -28.526 126 HE22 GLN 14 HE22 GLN 14 -3.393 8.954 -27.886 127 H GLU 15 HN GLU 15 -3.879 2.376 -29.594 128 HA GLU 15 HA GLU 15 -5.353 1.786 -27.247 129 HB2 GLU 15 HB2 GLU 15 -5.737 0.757 -29.477 130 HB3 GLU 15 HB1 GLU 15 -4.201 -0.094 -29.316 131 HG2 GLU 15 HG2 GLU 15 -5.056 -1.112 -27.196 132 HG3 GLU 15 HG1 GLU 15 -6.617 -0.363 -27.511 133 H GLU 16 HN GLU 16 -2.066 0.972 -28.342 134 HA GLU 16 HA GLU 16 -1.477 -0.851 -26.268 135 HB2 GLU 16 HB2 GLU 16 0.339 0.910 -27.925 136 HB3 GLU 16 HB1 GLU 16 0.902 -0.366 -26.846 137 HG2 GLU 16 HG2 GLU 16 -1.047 -0.788 -29.123 138 HG3 GLU 16 HG1 GLU 16 0.680 -1.109 -29.229 139 H MET 17 HN MET 17 -1.017 2.674 -26.558 140 HA MET 17 HA MET 17 0.397 3.068 -24.184 141 HB2 MET 17 HB2 MET 17 -1.407 4.846 -25.825 142 HB3 MET 17 HB1 MET 17 -0.595 5.418 -24.369 143 HG2 MET 17 HG2 MET 17 0.857 4.131 -26.693 144 HG3 MET 17 HG1 MET 17 0.675 5.874 -26.500 145 HE1 MET 17 HE1 MET 17 3.387 4.295 -26.787 146 HE2 MET 17 HE2 MET 17 4.406 5.142 -25.625 147 HE3 MET 17 HE3 MET 17 3.291 6.053 -26.641 148 H GLU 18 HN GLU 18 -3.085 2.938 -24.824 149 HA GLU 18 HA GLU 18 -3.955 3.847 -22.280 150 HB2 GLU 18 HB2 GLU 18 -5.389 3.689 -24.316 151 HB3 GLU 18 HB1 GLU 18 -5.343 1.933 -24.170 152 HG2 GLU 18 HG2 GLU 18 -6.351 2.088 -21.928 153 HG3 GLU 18 HG1 GLU 18 -6.404 3.842 -22.070 154 H LYS 19 HN LYS 19 -3.258 0.600 -23.556 155 HA LYS 19 HA LYS 19 -4.098 -0.856 -21.287 156 HB2 LYS 19 HB2 LYS 19 -2.033 -1.443 -23.421 157 HB3 LYS 19 HB1 LYS 19 -2.532 -2.617 -22.203 158 HG2 LYS 19 HG2 LYS 19 -4.834 -2.519 -22.973 159 HG3 LYS 19 HG1 LYS 19 -4.441 -1.219 -24.098 160 HD2 LYS 19 HD2 LYS 19 -2.915 -2.727 -25.314 161 HD3 LYS 19 HD1 LYS 19 -3.304 -4.030 -24.192 162 HE2 LYS 19 HE2 LYS 19 -5.597 -4.072 -24.912 163 HE3 LYS 19 HE1 LYS 19 -5.396 -2.594 -25.849 164 HZ1 LYS 19 HZ1 LYS 19 -4.584 -5.323 -26.473 165 HZ2 LYS 19 HZ2 LYS 19 -3.512 -4.090 -26.944 166 HZ3 LYS 19 HZ3 LYS 19 -5.115 -4.080 -27.500 167 H GLU 20 HN GLU 20 -0.971 0.533 -22.200 168 HA GLU 20 HA GLU 20 0.517 -0.427 -19.994 169 HB2 GLU 20 HB2 GLU 20 1.517 0.529 -22.080 170 HB3 GLU 20 HB1 GLU 20 0.987 2.125 -21.552 171 HG2 GLU 20 HG2 GLU 20 2.333 1.911 -19.508 172 HG3 GLU 20 HG1 GLU 20 2.841 0.300 -20.000 173 H ARG 21 HN ARG 21 -1.329 2.540 -20.542 174 HA ARG 21 HA ARG 21 -0.644 3.857 -18.154 175 HB2 ARG 21 HB2 ARG 21 -1.792 4.968 -20.051 176 HB3 ARG 21 HB1 ARG 21 -3.244 4.035 -19.702 177 HG2 ARG 21 HG2 ARG 21 -3.579 6.153 -18.660 178 HG3 ARG 21 HG1 ARG 21 -3.155 5.050 -17.352 179 HD2 ARG 21 HD2 ARG 21 -0.792 5.787 -17.521 180 HD3 ARG 21 HD1 ARG 21 -1.257 6.936 -18.769 181 HE ARG 21 HE ARG 21 -2.865 7.489 -16.583 182 HH11 ARG 21 HH11 ARG 21 0.567 7.372 -17.227 183 HH12 ARG 21 HH12 ARG 21 0.940 8.584 -16.051 184 HH21 ARG 21 HH21 ARG 21 -2.341 9.064 -15.076 185 HH22 ARG 21 HH22 ARG 21 -0.692 9.534 -14.844 186 H LYS 22 HN LYS 22 -3.278 1.601 -18.918 187 HA LYS 22 HA LYS 22 -4.594 1.727 -16.426 188 HB2 LYS 22 HB2 LYS 22 -4.472 -0.429 -18.536 189 HB3 LYS 22 HB1 LYS 22 -5.479 -0.557 -17.093 190 HG2 LYS 22 HG2 LYS 22 -6.582 1.585 -17.701 191 HG3 LYS 22 HG1 LYS 22 -5.608 1.649 -19.171 192 HD2 LYS 22 HD2 LYS 22 -6.577 -0.468 -19.937 193 HD3 LYS 22 HD1 LYS 22 -7.527 -0.588 -18.456 194 HE2 LYS 22 HE2 LYS 22 -7.736 1.695 -20.445 195 HE3 LYS 22 HE1 LYS 22 -8.843 0.324 -20.378 196 HZ1 LYS 22 HZ1 LYS 22 -9.284 0.926 -18.032 197 HZ2 LYS 22 HZ2 LYS 22 -9.775 2.118 -19.140 198 HZ3 LYS 22 HZ3 LYS 22 -8.349 2.325 -18.244 199 H ARG 23 HN ARG 23 -1.977 -0.325 -17.625 200 HA ARG 23 HA ARG 23 -1.809 -2.047 -15.393 201 HB2 ARG 23 HB2 ARG 23 0.244 -1.152 -17.429 202 HB3 ARG 23 HB1 ARG 23 0.572 -2.379 -16.208 203 HG2 ARG 23 HG2 ARG 23 -1.777 -2.576 -18.100 204 HG3 ARG 23 HG1 ARG 23 -0.191 -3.234 -18.500 205 HD2 ARG 23 HD2 ARG 23 -0.236 -4.636 -16.492 206 HD3 ARG 23 HD1 ARG 23 -1.776 -3.938 -16.013 207 HE ARG 23 HE ARG 23 -1.838 -5.182 -18.613 208 HH11 ARG 23 HH11 ARG 23 -2.170 -5.690 -15.166 209 HH12 ARG 23 HH12 ARG 23 -3.139 -7.108 -15.362 210 HH21 ARG 23 HH21 ARG 23 -3.094 -7.027 -18.815 211 HH22 ARG 23 HH22 ARG 23 -3.654 -7.860 -17.405 212 H ARG 24 HN ARG 24 -0.252 1.076 -16.105 213 HA ARG 24 HA ARG 24 1.437 1.116 -13.835 214 HB2 ARG 24 HB2 ARG 24 0.191 3.361 -15.447 215 HB3 ARG 24 HB1 ARG 24 1.458 3.586 -14.242 216 HG2 ARG 24 HG2 ARG 24 1.760 1.704 -16.585 217 HG3 ARG 24 HG1 ARG 24 2.246 3.395 -16.667 218 HD2 ARG 24 HD2 ARG 24 3.770 3.038 -14.756 219 HD3 ARG 24 HD1 ARG 24 3.289 1.343 -14.686 220 HE ARG 24 HE ARG 24 5.037 2.582 -16.645 221 HH11 ARG 24 HH11 ARG 24 2.999 -0.165 -15.917 222 HH12 ARG 24 HH12 ARG 24 3.825 -1.201 -17.030 223 HH21 ARG 24 HH21 ARG 24 6.063 1.205 -18.079 224 HH22 ARG 24 HH22 ARG 24 5.535 -0.436 -18.242 225 H GLU 25 HN GLU 25 -1.864 2.282 -14.403 226 HA GLU 25 HA GLU 25 -2.243 3.531 -11.909 227 HB2 GLU 25 HB2 GLU 25 -4.198 2.240 -13.823 228 HB3 GLU 25 HB1 GLU 25 -4.692 3.143 -12.392 229 HG2 GLU 25 HG2 GLU 25 -3.588 5.145 -13.213 230 HG3 GLU 25 HG1 GLU 25 -2.931 4.263 -14.590 231 H GLU 26 HN GLU 26 -2.819 0.212 -12.987 232 HA GLU 26 HA GLU 26 -4.029 -0.748 -10.615 233 HB2 GLU 26 HB2 GLU 26 -4.033 -1.961 -12.794 234 HB3 GLU 26 HB1 GLU 26 -2.315 -2.287 -12.582 235 HG2 GLU 26 HG2 GLU 26 -2.850 -3.446 -10.431 236 HG3 GLU 26 HG1 GLU 26 -4.559 -3.207 -10.771 237 H ASP 27 HN ASP 27 -0.655 -0.636 -11.688 238 HA ASP 27 HA ASP 27 0.493 -1.982 -9.488 239 HB2 ASP 27 HB2 ASP 27 1.620 0.065 -11.403 240 HB3 ASP 27 HB1 ASP 27 2.586 -0.747 -10.178 241 H GLU 28 HN GLU 28 -0.193 1.439 -10.094 242 HA GLU 28 HA GLU 28 1.048 2.464 -7.769 243 HB2 GLU 28 HB2 GLU 28 -1.233 3.500 -9.456 244 HB3 GLU 28 HB1 GLU 28 -0.548 4.405 -8.107 245 HG2 GLU 28 HG2 GLU 28 1.651 4.382 -9.168 246 HG3 GLU 28 HG1 GLU 28 1.039 3.387 -10.481 247 H GLN 29 HN GLN 29 -2.267 1.363 -8.406 248 HA GLN 29 HA GLN 29 -3.350 2.032 -5.894 249 HB2 GLN 29 HB2 GLN 29 -4.096 -0.101 -7.901 250 HB3 GLN 29 HB1 GLN 29 -5.041 0.229 -6.449 251 HG2 GLN 29 HG2 GLN 29 -4.348 2.308 -8.541 252 HG3 GLN 29 HG1 GLN 29 -5.880 1.440 -8.477 253 HE21 GLN 29 HE21 GLN 29 -5.078 4.414 -7.943 254 HE22 GLN 29 HE22 GLN 29 -5.826 4.747 -6.455 255 H ARG 30 HN ARG 30 -1.749 -0.897 -7.061 256 HA ARG 30 HA ARG 30 -2.130 -2.474 -4.749 257 HB2 ARG 30 HB2 ARG 30 -1.322 -3.242 -7.046 258 HB3 ARG 30 HB1 ARG 30 0.265 -2.625 -6.584 259 HG2 ARG 30 HG2 ARG 30 0.318 -4.089 -4.639 260 HG3 ARG 30 HG1 ARG 30 -1.314 -4.664 -4.986 261 HD2 ARG 30 HD2 ARG 30 1.079 -4.976 -6.823 262 HD3 ARG 30 HD1 ARG 30 0.433 -6.242 -5.786 263 HE ARG 30 HE ARG 30 -1.697 -5.396 -7.323 264 HH11 ARG 30 HH11 ARG 30 1.470 -6.714 -7.950 265 HH12 ARG 30 HH12 ARG 30 0.986 -7.468 -9.430 266 HH21 ARG 30 HH21 ARG 30 -2.288 -6.380 -9.262 267 HH22 ARG 30 HH22 ARG 30 -1.120 -7.282 -10.161 268 H ARG 31 HN ARG 31 0.440 -0.241 -5.717 269 HA ARG 31 HA ARG 31 2.170 -0.685 -3.531 270 HB2 ARG 31 HB2 ARG 31 1.752 1.714 -5.321 271 HB3 ARG 31 HB1 ARG 31 3.010 1.645 -4.086 272 HG2 ARG 31 HG2 ARG 31 3.994 -0.320 -5.133 273 HG3 ARG 31 HG1 ARG 31 2.677 -0.396 -6.301 274 HD2 ARG 31 HD2 ARG 31 4.611 0.662 -7.343 275 HD3 ARG 31 HD1 ARG 31 3.316 1.837 -7.152 276 HE ARG 31 HE ARG 31 5.083 1.904 -4.918 277 HH11 ARG 31 HH11 ARG 31 4.810 2.891 -8.257 278 HH12 ARG 31 HH12 ARG 31 5.897 4.223 -8.067 279 HH21 ARG 31 HH21 ARG 31 6.492 3.641 -4.714 280 HH22 ARG 31 HH22 ARG 31 6.841 4.641 -6.081 281 H ARG 32 HN ARG 32 -0.509 1.574 -4.011 282 HA ARG 32 HA ARG 32 -0.208 2.995 -1.580 283 HB2 ARG 32 HB2 ARG 32 -1.649 3.731 -3.470 284 HB3 ARG 32 HB1 ARG 32 -2.766 2.418 -3.098 285 HG2 ARG 32 HG2 ARG 32 -3.107 3.352 -0.834 286 HG3 ARG 32 HG1 ARG 32 -1.995 4.665 -1.215 287 HD2 ARG 32 HD2 ARG 32 -4.547 4.094 -2.745 288 HD3 ARG 32 HD1 ARG 32 -4.390 5.319 -1.490 289 HE ARG 32 HE ARG 32 -3.379 5.467 -4.189 290 HH11 ARG 32 HH11 ARG 32 -2.951 6.622 -0.923 291 HH12 ARG 32 HH12 ARG 32 -2.179 8.087 -1.425 292 HH21 ARG 32 HH21 ARG 32 -2.365 7.377 -4.799 293 HH22 ARG 32 HH22 ARG 32 -1.849 8.507 -3.595 294 H LYS 33 HN LYS 33 -2.076 0.106 -2.427 295 HA LYS 33 HA LYS 33 -3.310 -0.292 0.080 296 HB2 LYS 33 HB2 LYS 33 -2.568 -2.236 -2.115 297 HB3 LYS 33 HB1 LYS 33 -3.491 -2.698 -0.685 298 HG2 LYS 33 HG2 LYS 33 -5.196 -1.005 -1.229 299 HG3 LYS 33 HG1 LYS 33 -4.275 -0.531 -2.657 300 HD2 LYS 33 HD2 LYS 33 -4.539 -2.771 -3.606 301 HD3 LYS 33 HD1 LYS 33 -5.382 -3.310 -2.155 302 HE2 LYS 33 HE2 LYS 33 -7.004 -2.764 -3.911 303 HE3 LYS 33 HE1 LYS 33 -7.153 -1.629 -2.572 304 HZ1 LYS 33 HZ1 LYS 33 -6.413 0.073 -3.813 305 HZ2 LYS 33 HZ2 LYS 33 -6.922 -0.889 -5.117 306 HZ3 LYS 33 HZ3 LYS 33 -5.286 -0.869 -4.659 307 H GLU 34 HN GLU 34 -0.250 -1.446 -1.261 308 HA GLU 34 HA GLU 34 0.503 -3.117 0.877 309 HB2 GLU 34 HB2 GLU 34 2.111 -1.603 -1.178 310 HB3 GLU 34 HB1 GLU 34 2.870 -2.639 0.032 311 HG2 GLU 34 HG2 GLU 34 0.668 -3.571 -1.824 312 HG3 GLU 34 HG1 GLU 34 2.381 -3.775 -2.178 313 H GLU 35 HN GLU 35 1.071 0.339 0.304 314 HA GLU 35 HA GLU 35 2.719 0.815 2.551 315 HB2 GLU 35 HB2 GLU 35 0.879 2.625 0.981 316 HB3 GLU 35 HB1 GLU 35 1.941 3.203 2.261 317 HG2 GLU 35 HG2 GLU 35 3.896 2.359 1.051 318 HG3 GLU 35 HG1 GLU 35 2.856 1.695 -0.202 319 H GLU 36 HN GLU 36 -0.751 0.914 2.081 320 HA GLU 36 HA GLU 36 -1.445 1.958 4.640 321 HB2 GLU 36 HB2 GLU 36 -3.016 0.284 2.673 322 HB3 GLU 36 HB1 GLU 36 -3.698 0.918 4.170 323 HG2 GLU 36 HG2 GLU 36 -2.391 2.621 2.033 324 HG3 GLU 36 HG1 GLU 36 -4.131 2.398 2.203 325 H GLU 37 HN GLU 37 -1.104 -1.341 3.400 326 HA GLU 37 HA GLU 37 -1.886 -2.693 5.750 327 HB2 GLU 37 HB2 GLU 37 -0.050 -3.501 3.493 328 HB3 GLU 37 HB1 GLU 37 -0.517 -4.595 4.795 329 HG2 GLU 37 HG2 GLU 37 -2.899 -4.245 4.211 330 HG3 GLU 37 HG1 GLU 37 -2.412 -3.187 2.893 331 H ARG 38 HN ARG 38 1.278 -1.542 4.622 332 HA ARG 38 HA ARG 38 2.806 -2.672 6.722 333 HB2 ARG 38 HB2 ARG 38 3.291 -0.173 5.076 334 HB3 ARG 38 HB1 ARG 38 4.492 -0.934 6.117 335 HG2 ARG 38 HG2 ARG 38 3.079 -2.385 3.877 336 HG3 ARG 38 HG1 ARG 38 4.629 -1.581 3.658 337 HD2 ARG 38 HD2 ARG 38 5.535 -3.044 5.499 338 HD3 ARG 38 HD1 ARG 38 3.988 -3.890 5.516 339 HE ARG 38 HE ARG 38 6.084 -4.208 3.596 340 HH11 ARG 38 HH11 ARG 38 2.604 -4.277 3.936 341 HH12 ARG 38 HH12 ARG 38 2.395 -5.328 2.575 342 HH21 ARG 38 HH21 ARG 38 5.754 -5.625 1.886 343 HH22 ARG 38 HH22 ARG 38 4.144 -6.093 1.452 344 H ARG 39 HN ARG 39 1.254 0.549 6.365 345 HA ARG 39 HA ARG 39 2.107 1.620 8.781 346 HB2 ARG 39 HB2 ARG 39 -0.398 2.059 7.143 347 HB3 ARG 39 HB1 ARG 39 0.016 3.041 8.550 348 HG2 ARG 39 HG2 ARG 39 2.087 3.755 7.525 349 HG3 ARG 39 HG1 ARG 39 1.857 2.640 6.175 350 HD2 ARG 39 HD2 ARG 39 -0.173 3.834 5.501 351 HD3 ARG 39 HD1 ARG 39 -0.010 4.924 6.872 352 HE ARG 39 HE ARG 39 2.349 5.213 5.535 353 HH11 ARG 39 HH11 ARG 39 -1.006 5.404 4.552 354 HH12 ARG 39 HH12 ARG 39 -0.684 6.573 3.320 355 HH21 ARG 39 HH21 ARG 39 2.712 6.720 3.913 356 HH22 ARG 39 HH22 ARG 39 1.394 7.302 2.956 357 H MET 40 HN MET 40 -0.760 -0.362 8.024 358 HA MET 40 HA MET 40 -1.956 -0.223 10.566 359 HB2 MET 40 HB2 MET 40 -2.075 -2.279 8.364 360 HB3 MET 40 HB1 MET 40 -2.984 -2.470 9.861 361 HG2 MET 40 HG2 MET 40 -3.937 -0.148 9.435 362 HG3 MET 40 HG1 MET 40 -3.205 -0.234 7.834 363 HE1 MET 40 HE1 MET 40 -3.786 -3.193 6.576 364 HE2 MET 40 HE2 MET 40 -3.663 -1.501 6.099 365 HE3 MET 40 HE3 MET 40 -5.131 -2.406 5.742 366 H LYS 41 HN LYS 41 0.458 -2.458 9.226 367 HA LYS 41 HA LYS 41 0.589 -4.207 11.444 368 HB2 LYS 41 HB2 LYS 41 2.615 -3.471 9.321 369 HB3 LYS 41 HB1 LYS 41 2.881 -4.737 10.519 370 HG2 LYS 41 HG2 LYS 41 0.868 -5.915 9.749 371 HG3 LYS 41 HG1 LYS 41 0.559 -4.641 8.571 372 HD2 LYS 41 HD2 LYS 41 2.680 -5.142 7.442 373 HD3 LYS 41 HD1 LYS 41 3.044 -6.380 8.644 374 HE2 LYS 41 HE2 LYS 41 2.125 -7.433 6.638 375 HE3 LYS 41 HE1 LYS 41 0.991 -7.605 7.975 376 HZ1 LYS 41 HZ1 LYS 41 0.411 -6.592 5.522 377 HZ2 LYS 41 HZ2 LYS 41 0.583 -5.196 6.473 378 HZ3 LYS 41 HZ3 LYS 41 -0.528 -6.399 6.919 379 H LEU 42 HN LEU 42 2.329 -1.244 10.623 380 HA LEU 42 HA LEU 42 4.149 -1.299 12.796 381 HB2 LEU 42 HB2 LEU 42 4.393 0.184 10.807 382 HB3 LEU 42 HB1 LEU 42 3.037 1.142 11.393 383 HG LEU 42 HG LEU 42 4.334 1.472 13.543 384 HD11 LEU 42 HD11 LEU 42 5.913 -0.314 13.462 385 HD12 LEU 42 HD12 LEU 42 6.848 1.167 13.258 386 HD13 LEU 42 HD13 LEU 42 6.472 0.159 11.859 387 HD21 LEU 42 HD21 LEU 42 4.203 3.178 11.731 388 HD22 LEU 42 HD22 LEU 42 5.666 2.498 11.018 389 HD23 LEU 42 HD23 LEU 42 5.728 3.247 12.614 390 H GLU 43 HN GLU 43 0.949 0.156 12.404 391 HA GLU 43 HA GLU 43 0.789 1.428 14.912 392 HB2 GLU 43 HB2 GLU 43 -0.770 1.839 13.006 393 HB3 GLU 43 HB1 GLU 43 -1.501 0.264 13.309 394 HG2 GLU 43 HG2 GLU 43 -2.855 1.889 14.448 395 HG3 GLU 43 HG1 GLU 43 -1.942 1.017 15.673 396 H MET 44 HN MET 44 -0.111 -1.816 13.846 397 HA MET 44 HA MET 44 -1.337 -2.685 16.233 398 HB2 MET 44 HB2 MET 44 0.062 -4.177 14.011 399 HB3 MET 44 HB1 MET 44 -0.689 -5.002 15.376 400 HG2 MET 44 HG2 MET 44 -2.848 -4.019 14.843 401 HG3 MET 44 HG1 MET 44 -2.130 -3.050 13.558 402 HE1 MET 44 HE1 MET 44 -2.778 -7.582 13.688 403 HE2 MET 44 HE2 MET 44 -3.127 -6.389 14.937 404 HE3 MET 44 HE3 MET 44 -1.458 -6.850 14.606 405 H GLU 45 HN GLU 45 2.025 -2.828 15.136 406 HA GLU 45 HA GLU 45 3.091 -4.289 17.306 407 HB2 GLU 45 HB2 GLU 45 4.308 -3.895 15.187 408 HB3 GLU 45 HB1 GLU 45 4.453 -2.187 15.599 409 HG2 GLU 45 HG2 GLU 45 6.515 -3.289 16.231 410 HG3 GLU 45 HG1 GLU 45 5.639 -2.849 17.693 411 H ALA 46 HN ALA 46 2.627 -0.823 16.775 412 HA ALA 46 HA ALA 46 3.917 0.100 19.117 413 HB1 ALA 46 HB1 ALA 46 3.268 1.569 17.219 414 HB2 ALA 46 HB2 ALA 46 2.676 2.176 18.765 415 HB3 ALA 46 HB3 ALA 46 1.575 1.356 17.658 416 H LYS 47 HN LYS 47 0.543 -0.801 18.456 417 HA LYS 47 HA LYS 47 -0.514 -0.144 20.966 418 HB2 LYS 47 HB2 LYS 47 -1.870 -0.750 18.956 419 HB3 LYS 47 HB1 LYS 47 -1.371 -2.427 19.171 420 HG2 LYS 47 HG2 LYS 47 -2.414 -2.499 21.374 421 HG3 LYS 47 HG1 LYS 47 -2.837 -0.792 21.261 422 HD2 LYS 47 HD2 LYS 47 -4.267 -1.274 19.308 423 HD3 LYS 47 HD1 LYS 47 -3.837 -2.980 19.413 424 HE2 LYS 47 HE2 LYS 47 -6.007 -2.576 20.498 425 HE3 LYS 47 HE1 LYS 47 -4.807 -3.087 21.682 426 HZ1 LYS 47 HZ1 LYS 47 -5.063 -0.220 21.206 427 HZ2 LYS 47 HZ2 LYS 47 -4.749 -1.064 22.646 428 HZ3 LYS 47 HZ3 LYS 47 -6.334 -0.974 22.041 429 H ARG 48 HN ARG 48 0.966 -3.181 19.804 430 HA ARG 48 HA ARG 48 0.577 -4.684 22.150 431 HB2 ARG 48 HB2 ARG 48 1.245 -5.630 19.945 432 HB3 ARG 48 HB1 ARG 48 2.841 -4.907 20.150 433 HG2 ARG 48 HG2 ARG 48 3.260 -6.231 22.130 434 HG3 ARG 48 HG1 ARG 48 1.603 -6.831 22.133 435 HD2 ARG 48 HD2 ARG 48 3.020 -8.547 21.183 436 HD3 ARG 48 HD1 ARG 48 2.022 -7.869 19.903 437 HE ARG 48 HE ARG 48 4.481 -6.484 19.995 438 HH11 ARG 48 HH11 ARG 48 3.166 -9.596 19.119 439 HH12 ARG 48 HH12 ARG 48 4.397 -9.909 17.945 440 HH21 ARG 48 HH21 ARG 48 6.066 -6.930 18.470 441 HH22 ARG 48 HH22 ARG 48 6.020 -8.410 17.575 442 H LYS 49 HN LYS 49 3.205 -2.587 21.093 443 HA LYS 49 HA LYS 49 4.965 -3.078 23.251 444 HB2 LYS 49 HB2 LYS 49 4.616 -0.668 21.466 445 HB3 LYS 49 HB1 LYS 49 5.879 -0.768 22.692 446 HG2 LYS 49 HG2 LYS 49 6.718 -2.849 21.643 447 HG3 LYS 49 HG1 LYS 49 5.467 -2.718 20.405 448 HD2 LYS 49 HD2 LYS 49 6.387 -0.595 19.637 449 HD3 LYS 49 HD1 LYS 49 7.585 -0.613 20.932 450 HE2 LYS 49 HE2 LYS 49 8.567 -2.672 20.016 451 HE3 LYS 49 HE1 LYS 49 7.365 -2.691 18.729 452 HZ1 LYS 49 HZ1 LYS 49 8.216 -0.648 17.875 453 HZ2 LYS 49 HZ2 LYS 49 9.528 -1.706 18.084 454 HZ3 LYS 49 HZ3 LYS 49 9.259 -0.453 19.200 455 H GLN 50 HN GLN 50 2.384 -0.681 22.832 456 HA GLN 50 HA GLN 50 2.758 0.660 25.295 457 HB2 GLN 50 HB2 GLN 50 1.344 1.480 23.381 458 HB3 GLN 50 HB1 GLN 50 0.135 0.279 23.833 459 HG2 GLN 50 HG2 GLN 50 -0.472 2.384 24.866 460 HG3 GLN 50 HG1 GLN 50 0.085 1.290 26.131 461 HE21 GLN 50 HE21 GLN 50 1.480 2.312 27.571 462 HE22 GLN 50 HE22 GLN 50 2.559 3.558 27.163 463 H GLU 51 HN GLU 51 0.748 -2.114 24.369 464 HA GLU 51 HA GLU 51 -0.555 -2.492 26.828 465 HB2 GLU 51 HB2 GLU 51 0.159 -4.435 24.628 466 HB3 GLU 51 HB1 GLU 51 -0.810 -4.880 26.030 467 HG2 GLU 51 HG2 GLU 51 -2.480 -3.215 25.470 468 HG3 GLU 51 HG1 GLU 51 -1.493 -2.607 24.147 469 H GLU 52 HN GLU 52 2.521 -3.752 25.585 470 HA GLU 52 HA GLU 52 3.119 -5.510 27.696 471 HB2 GLU 52 HB2 GLU 52 4.883 -3.982 25.781 472 HB3 GLU 52 HB1 GLU 52 5.511 -5.149 26.941 473 HG2 GLU 52 HG2 GLU 52 4.204 -6.926 25.955 474 HG3 GLU 52 HG1 GLU 52 3.367 -5.795 24.900 475 H GLU 53 HN GLU 53 3.797 -2.075 27.240 476 HA GLU 53 HA GLU 53 5.460 -1.691 29.504 477 HB2 GLU 53 HB2 GLU 53 5.196 -0.040 27.643 478 HB3 GLU 53 HB1 GLU 53 3.584 0.333 28.253 479 HG2 GLU 53 HG2 GLU 53 4.718 0.829 30.499 480 HG3 GLU 53 HG1 GLU 53 6.242 0.784 29.619 481 H GLU 54 HN GLU 54 1.948 -1.411 29.048 482 HA GLU 54 HA GLU 54 1.291 -0.503 31.629 483 HB2 GLU 54 HB2 GLU 54 -0.297 -2.126 29.630 484 HB3 GLU 54 HB1 GLU 54 -0.972 -1.474 31.122 485 HG2 GLU 54 HG2 GLU 54 -0.422 0.796 30.427 486 HG3 GLU 54 HG1 GLU 54 0.374 0.188 28.981 487 H ARG 55 HN ARG 55 1.637 -3.761 30.291 488 HA ARG 55 HA ARG 55 0.693 -5.195 32.528 489 HB2 ARG 55 HB2 ARG 55 2.701 -5.922 30.381 490 HB3 ARG 55 HB1 ARG 55 2.073 -7.067 31.567 491 HG2 ARG 55 HG2 ARG 55 -0.176 -6.787 30.780 492 HG3 ARG 55 HG1 ARG 55 0.283 -5.421 29.763 493 HD2 ARG 55 HD2 ARG 55 1.784 -6.936 28.472 494 HD3 ARG 55 HD1 ARG 55 1.212 -8.289 29.441 495 HE ARG 55 HE ARG 55 -1.077 -7.208 28.424 496 HH11 ARG 55 HH11 ARG 55 1.915 -8.305 26.994 497 HH12 ARG 55 HH12 ARG 55 1.165 -8.749 25.499 498 HH21 ARG 55 HH21 ARG 55 -2.009 -7.789 26.463 499 HH22 ARG 55 HH22 ARG 55 -1.031 -8.457 25.202 500 H LYS 56 HN LYS 56 3.941 -4.084 31.663 501 HA LYS 56 HA LYS 56 5.350 -5.256 33.818 502 HB2 LYS 56 HB2 LYS 56 6.431 -4.303 31.786 503 HB3 LYS 56 HB1 LYS 56 6.016 -2.687 32.360 504 HG2 LYS 56 HG2 LYS 56 7.338 -3.041 34.393 505 HG3 LYS 56 HG1 LYS 56 7.715 -4.685 33.880 506 HD2 LYS 56 HD2 LYS 56 8.880 -3.811 31.893 507 HD3 LYS 56 HD1 LYS 56 8.485 -2.162 32.381 508 HE2 LYS 56 HE2 LYS 56 10.767 -2.706 33.087 509 HE3 LYS 56 HE1 LYS 56 9.731 -2.512 34.501 510 HZ1 LYS 56 HZ1 LYS 56 10.002 -5.187 33.339 511 HZ2 LYS 56 HZ2 LYS 56 9.762 -4.724 34.956 512 HZ3 LYS 56 HZ3 LYS 56 11.299 -4.577 34.247 513 H LYS 57 HN LYS 57 3.760 -2.130 33.438 514 HA LYS 57 HA LYS 57 4.541 -1.030 35.939 515 HB2 LYS 57 HB2 LYS 57 2.185 -0.453 34.133 516 HB3 LYS 57 HB1 LYS 57 2.519 0.457 35.608 517 HG2 LYS 57 HG2 LYS 57 4.796 0.972 34.733 518 HG3 LYS 57 HG1 LYS 57 4.379 0.150 33.233 519 HD2 LYS 57 HD2 LYS 57 2.719 2.428 34.315 520 HD3 LYS 57 HD1 LYS 57 4.111 2.710 33.273 521 HE2 LYS 57 HE2 LYS 57 2.986 0.990 31.677 522 HE3 LYS 57 HE1 LYS 57 1.536 1.282 32.638 523 HZ1 LYS 57 HZ1 LYS 57 2.044 3.737 32.214 524 HZ2 LYS 57 HZ2 LYS 57 1.395 2.824 30.936 525 HZ3 LYS 57 HZ3 LYS 57 3.053 3.181 30.968 526 H ARG 58 HN ARG 58 1.723 -2.900 34.915 527 HA ARG 58 HA ARG 58 0.303 -2.814 37.353 528 HB2 ARG 58 HB2 ARG 58 -0.626 -3.557 35.139 529 HB3 ARG 58 HB1 ARG 58 0.282 -5.056 35.320 530 HG2 ARG 58 HG2 ARG 58 -0.877 -5.439 37.500 531 HG3 ARG 58 HG1 ARG 58 -1.867 -4.015 37.190 532 HD2 ARG 58 HD2 ARG 58 -3.125 -5.949 36.473 533 HD3 ARG 58 HD1 ARG 58 -2.591 -5.097 35.027 534 HE ARG 58 HE ARG 58 -1.243 -6.903 34.508 535 HH11 ARG 58 HH11 ARG 58 -2.243 -7.135 37.843 536 HH12 ARG 58 HH12 ARG 58 -1.577 -8.715 38.052 537 HH21 ARG 58 HH21 ARG 58 -0.417 -8.986 34.811 538 HH22 ARG 58 HH22 ARG 58 -0.574 -9.755 36.353 539 H GLU 59 HN GLU 59 2.727 -5.071 36.088 540 HA GLU 59 HA GLU 59 2.599 -6.965 38.173 541 HB2 GLU 59 HB2 GLU 59 3.740 -7.366 35.998 542 HB3 GLU 59 HB1 GLU 59 5.005 -6.239 36.484 543 HG2 GLU 59 HG2 GLU 59 5.283 -7.724 38.571 544 HG3 GLU 59 HG1 GLU 59 4.311 -8.911 37.706 545 H ASP 60 HN ASP 60 4.530 -4.029 37.755 546 HA ASP 60 HA ASP 60 6.205 -4.346 40.008 547 HB2 ASP 60 HB2 ASP 60 5.389 -2.033 38.296 548 HB3 ASP 60 HB1 ASP 60 6.253 -1.734 39.800 549 H ASP 61 HN ASP 61 3.017 -2.771 39.621 550 HA ASP 61 HA ASP 61 2.849 -1.651 42.180 551 HB2 ASP 61 HB2 ASP 61 1.379 -1.209 40.125 552 HB3 ASP 61 HB1 ASP 61 0.513 -2.675 40.582 553 H GLU 62 HN GLU 62 1.979 -4.899 40.957 554 HA GLU 62 HA GLU 62 0.615 -5.803 43.264 555 HB2 GLU 62 HB2 GLU 62 1.974 -7.242 40.986 556 HB3 GLU 62 HB1 GLU 62 1.041 -8.052 42.247 557 HG2 GLU 62 HG2 GLU 62 -0.934 -6.683 41.663 558 HG3 GLU 62 HG1 GLU 62 -0.002 -5.894 40.391 559 H LYS 63 HN LYS 63 3.993 -6.021 42.183 560 HA LYS 63 HA LYS 63 4.889 -7.827 44.132 561 HB2 LYS 63 HB2 LYS 63 6.314 -5.665 42.577 562 HB3 LYS 63 HB1 LYS 63 7.150 -6.785 43.657 563 HG2 LYS 63 HG2 LYS 63 6.204 -8.690 42.362 564 HG3 LYS 63 HG1 LYS 63 5.467 -7.539 41.249 565 HD2 LYS 63 HD2 LYS 63 8.434 -7.517 41.810 566 HD3 LYS 63 HD1 LYS 63 7.740 -8.551 40.563 567 HE2 LYS 63 HE2 LYS 63 6.605 -6.390 39.691 568 HE3 LYS 63 HE1 LYS 63 7.759 -5.540 40.713 569 HZ1 LYS 63 HZ1 LYS 63 8.743 -5.690 38.622 570 HZ2 LYS 63 HZ2 LYS 63 8.312 -7.322 38.422 571 HZ3 LYS 63 HZ3 LYS 63 9.519 -6.889 39.542 572 H ARG 64 HN ARG 64 4.675 -4.215 44.184 573 HA ARG 64 HA ARG 64 5.895 -4.154 46.776 574 HB2 ARG 64 HB2 ARG 64 4.540 -2.099 45.029 575 HB3 ARG 64 HB1 ARG 64 5.128 -1.726 46.653 576 HG2 ARG 64 HG2 ARG 64 7.381 -2.587 45.971 577 HG3 ARG 64 HG1 ARG 64 6.775 -2.758 44.322 578 HD2 ARG 64 HD2 ARG 64 6.685 -0.169 45.891 579 HD3 ARG 64 HD1 ARG 64 7.985 -0.578 44.779 580 HE ARG 64 HE ARG 64 5.774 -0.873 43.243 581 HH11 ARG 64 HH11 ARG 64 6.811 1.707 45.364 582 HH12 ARG 64 HH12 ARG 64 6.052 2.936 44.414 583 HH21 ARG 64 HH21 ARG 64 4.794 0.757 42.050 584 HH22 ARG 64 HH22 ARG 64 4.918 2.404 42.563 585 H ILE 65 HN ILE 65 3.095 -5.485 45.996 586 HA ILE 65 HA ILE 65 1.074 -5.790 46.958 587 HB ILE 65 HB ILE 65 1.083 -6.043 49.367 588 HG12 ILE 65 HG12 ILE 65 3.861 -4.856 49.434 589 HG13 ILE 65 HG11 ILE 65 2.435 -3.872 49.718 590 HG21 ILE 65 HG21 ILE 65 2.204 -7.782 48.073 591 HG22 ILE 65 HG22 ILE 65 3.092 -7.516 49.576 592 HG23 ILE 65 HG23 ILE 65 3.696 -6.848 48.062 593 HD11 ILE 65 HD11 ILE 65 3.050 -6.375 51.304 594 HD12 ILE 65 HD12 ILE 65 1.822 -5.155 51.647 595 HD13 ILE 65 HD13 ILE 65 3.530 -4.753 51.797 596 H GLN 66 HN GLN 66 1.545 -3.151 45.936 597 HA GLN 66 HA GLN 66 0.690 -1.012 46.004 598 HB2 GLN 66 HB2 GLN 66 -1.360 -2.587 45.891 599 HB3 GLN 66 HB1 GLN 66 -1.570 -2.202 47.598 600 HG2 GLN 66 HG2 GLN 66 -1.713 0.187 47.073 601 HG3 GLN 66 HG1 GLN 66 -1.423 -0.153 45.371 602 HE21 GLN 66 HE21 GLN 66 -3.798 1.170 46.392 603 HE22 GLN 66 HE22 GLN 66 -5.122 0.167 46.045 604 H ALA 67 HN ALA 67 2.370 -1.944 48.306 605 HA ALA 67 HA ALA 67 1.754 0.263 50.106 606 HB1 ALA 67 HB1 ALA 67 1.532 -0.992 52.062 607 HB2 ALA 67 HB2 ALA 67 2.259 -2.429 51.342 608 HB3 ALA 67 HB3 ALA 67 0.622 -1.951 50.895 609 H GLU 68 HN GLU 68 3.536 0.856 51.448 610 HA GLU 68 HA GLU 68 6.019 -0.493 51.450 611 HB2 GLU 68 HB2 GLU 68 7.304 1.097 50.029 612 HB3 GLU 68 HB1 GLU 68 6.165 0.110 49.117 613 HG2 GLU 68 HG2 GLU 68 4.541 1.968 49.138 614 HG3 GLU 68 HG1 GLU 68 5.686 2.959 50.034 Start of MODEL 8 1 HA LYS 1 HA LYS 1 -3.363 7.290 -49.759 2 HB2 LYS 1 HB2 LYS 1 -0.986 8.575 -48.380 3 HB3 LYS 1 HB1 LYS 1 -0.872 7.384 -49.677 4 HG2 LYS 1 HG2 LYS 1 -2.115 8.892 -51.179 5 HG3 LYS 1 HG1 LYS 1 -2.246 10.080 -49.884 6 HD2 LYS 1 HD2 LYS 1 0.223 10.230 -49.783 7 HD3 LYS 1 HD1 LYS 1 0.338 9.069 -51.107 8 HE2 LYS 1 HE2 LYS 1 -0.913 10.604 -52.575 9 HE3 LYS 1 HE1 LYS 1 -1.052 11.761 -51.251 10 HZ1 LYS 1 HZ1 LYS 1 0.820 12.118 -52.900 11 HZ2 LYS 1 HZ2 LYS 1 1.573 10.771 -52.189 12 HZ3 LYS 1 HZ3 LYS 1 1.236 12.150 -51.257 13 H GLN 2 HN GLN 2 -1.673 5.412 -49.258 14 HA GLN 2 HA GLN 2 -2.786 3.858 -47.186 15 HB2 GLN 2 HB2 GLN 2 -1.627 2.979 -49.241 16 HB3 GLN 2 HB1 GLN 2 -0.094 3.446 -48.503 17 HG2 GLN 2 HG2 GLN 2 -0.536 1.982 -46.592 18 HG3 GLN 2 HG1 GLN 2 -2.106 1.547 -47.263 19 HE21 GLN 2 HE21 GLN 2 -2.093 -0.361 -48.447 20 HE22 GLN 2 HE22 GLN 2 -0.731 -1.023 -49.215 21 H GLN 3 HN GLN 3 0.246 5.693 -47.388 22 HA GLN 3 HA GLN 3 1.270 4.919 -44.868 23 HB2 GLN 3 HB2 GLN 3 2.602 6.008 -46.683 24 HB3 GLN 3 HB1 GLN 3 1.772 7.523 -46.328 25 HG2 GLN 3 HG2 GLN 3 2.615 7.465 -44.023 26 HG3 GLN 3 HG1 GLN 3 3.412 5.926 -44.339 27 HE21 GLN 3 HE21 GLN 3 5.613 6.526 -44.260 28 HE22 GLN 3 HE22 GLN 3 6.298 7.731 -45.242 29 H GLU 4 HN GLU 4 -0.808 7.596 -45.885 30 HA GLU 4 HA GLU 4 -0.877 8.973 -43.419 31 HB2 GLU 4 HB2 GLU 4 -2.877 8.829 -45.687 32 HB3 GLU 4 HB1 GLU 4 -3.012 9.939 -44.324 33 HG2 GLU 4 HG2 GLU 4 -0.894 10.977 -44.890 34 HG3 GLU 4 HG1 GLU 4 -0.605 9.795 -46.156 35 H GLU 5 HN GLU 5 -2.930 6.408 -44.770 36 HA GLU 5 HA GLU 5 -4.814 6.341 -42.657 37 HB2 GLU 5 HB2 GLU 5 -5.154 5.300 -44.895 38 HB3 GLU 5 HB1 GLU 5 -3.959 4.073 -44.475 39 HG2 GLU 5 HG2 GLU 5 -6.163 3.172 -44.034 40 HG3 GLU 5 HG1 GLU 5 -5.363 3.467 -42.495 41 H GLU 6 HN GLU 6 -1.767 4.569 -43.255 42 HA GLU 6 HA GLU 6 -1.966 2.870 -41.040 43 HB2 GLU 6 HB2 GLU 6 0.407 4.016 -42.518 44 HB3 GLU 6 HB1 GLU 6 0.584 2.847 -41.207 45 HG2 GLU 6 HG2 GLU 6 -1.123 2.393 -43.671 46 HG3 GLU 6 HG1 GLU 6 0.523 1.791 -43.485 47 H ALA 7 HN ALA 7 -0.542 6.118 -41.349 48 HA ALA 7 HA ALA 7 0.465 6.351 -38.772 49 HB1 ALA 7 HB1 ALA 7 0.320 8.778 -39.111 50 HB2 ALA 7 HB2 ALA 7 -0.806 8.535 -40.447 51 HB3 ALA 7 HB3 ALA 7 0.863 7.991 -40.593 52 H GLU 8 HN GLU 8 -2.826 7.044 -39.972 53 HA GLU 8 HA GLU 8 -3.858 8.065 -37.544 54 HB2 GLU 8 HB2 GLU 8 -5.132 6.674 -39.902 55 HB3 GLU 8 HB1 GLU 8 -6.077 7.283 -38.543 56 HG2 GLU 8 HG2 GLU 8 -4.171 8.975 -40.184 57 HG3 GLU 8 HG1 GLU 8 -5.911 8.903 -40.452 58 H ARG 9 HN ARG 9 -3.711 4.781 -38.891 59 HA ARG 9 HA ARG 9 -5.108 3.517 -36.761 60 HB2 ARG 9 HB2 ARG 9 -3.056 2.472 -38.726 61 HB3 ARG 9 HB1 ARG 9 -3.914 1.446 -37.572 62 HG2 ARG 9 HG2 ARG 9 -6.058 2.102 -38.508 63 HG3 ARG 9 HG1 ARG 9 -5.279 3.252 -39.594 64 HD2 ARG 9 HD2 ARG 9 -5.771 1.223 -40.842 65 HD3 ARG 9 HD1 ARG 9 -4.029 1.344 -40.625 66 HE ARG 9 HE ARG 9 -4.096 -0.526 -39.268 67 HH11 ARG 9 HH11 ARG 9 -7.345 0.668 -39.739 68 HH12 ARG 9 HH12 ARG 9 -8.079 -0.723 -39.020 69 HH21 ARG 9 HH21 ARG 9 -5.086 -2.309 -38.334 70 HH22 ARG 9 HH22 ARG 9 -6.810 -2.391 -38.229 71 H LEU 10 HN LEU 10 -1.672 4.146 -37.362 72 HA LEU 10 HA LEU 10 -0.603 2.875 -35.122 73 HB2 LEU 10 HB2 LEU 10 0.712 3.643 -37.105 74 HB3 LEU 10 HB1 LEU 10 0.518 5.296 -36.533 75 HG LEU 10 HG LEU 10 1.522 4.512 -34.325 76 HD11 LEU 10 HD11 LEU 10 1.268 2.136 -34.515 77 HD12 LEU 10 HD12 LEU 10 2.996 2.478 -34.551 78 HD13 LEU 10 HD13 LEU 10 2.141 2.106 -36.048 79 HD21 LEU 10 HD21 LEU 10 3.820 4.677 -35.149 80 HD22 LEU 10 HD22 LEU 10 2.786 5.828 -35.991 81 HD23 LEU 10 HD23 LEU 10 3.276 4.335 -36.791 82 H ARG 11 HN ARG 11 -1.949 6.092 -35.554 83 HA ARG 11 HA ARG 11 -0.944 7.264 -33.167 84 HB2 ARG 11 HB2 ARG 11 -1.809 8.539 -35.121 85 HB3 ARG 11 HB1 ARG 11 -3.432 7.968 -34.736 86 HG2 ARG 11 HG2 ARG 11 -3.218 8.993 -32.472 87 HG3 ARG 11 HG1 ARG 11 -1.644 9.634 -32.940 88 HD2 ARG 11 HD2 ARG 11 -2.747 10.849 -34.825 89 HD3 ARG 11 HD1 ARG 11 -4.309 10.290 -34.231 90 HE ARG 11 HE ARG 11 -2.710 12.404 -33.128 91 HH11 ARG 11 HH11 ARG 11 -5.031 9.921 -32.320 92 HH12 ARG 11 HH12 ARG 11 -5.583 10.744 -30.904 93 HH21 ARG 11 HH21 ARG 11 -3.486 13.460 -31.298 94 HH22 ARG 11 HH22 ARG 11 -4.737 12.735 -30.348 95 H ARG 12 HN ARG 12 -3.944 5.549 -33.986 96 HA ARG 12 HA ARG 12 -5.280 5.946 -31.527 97 HB2 ARG 12 HB2 ARG 12 -5.515 3.778 -33.627 98 HB3 ARG 12 HB1 ARG 12 -6.610 3.946 -32.252 99 HG2 ARG 12 HG2 ARG 12 -7.198 6.222 -32.973 100 HG3 ARG 12 HG1 ARG 12 -6.089 6.086 -34.338 101 HD2 ARG 12 HD2 ARG 12 -7.397 4.173 -35.201 102 HD3 ARG 12 HD1 ARG 12 -8.520 4.334 -33.854 103 HE ARG 12 HE ARG 12 -8.376 6.006 -36.203 104 HH11 ARG 12 HH11 ARG 12 -9.374 5.875 -32.859 105 HH12 ARG 12 HH12 ARG 12 -10.560 7.118 -33.049 106 HH21 ARG 12 HH21 ARG 12 -9.924 7.610 -36.413 107 HH22 ARG 12 HH22 ARG 12 -10.869 8.092 -35.046 108 H ILE 13 HN ILE 13 -3.058 3.435 -32.704 109 HA ILE 13 HA ILE 13 -3.363 1.668 -30.528 110 HB ILE 13 HB ILE 13 -1.022 2.130 -32.396 111 HG12 ILE 13 HG12 ILE 13 -3.056 -0.112 -32.362 112 HG13 ILE 13 HG11 ILE 13 -3.278 1.353 -33.316 113 HG21 ILE 13 HG21 ILE 13 -1.570 -0.067 -30.381 114 HG22 ILE 13 HG22 ILE 13 -0.190 1.030 -30.405 115 HG23 ILE 13 HG23 ILE 13 -0.365 -0.195 -31.662 116 HD11 ILE 13 HD11 ILE 13 -0.958 -0.585 -33.537 117 HD12 ILE 13 HD12 ILE 13 -1.106 0.918 -34.445 118 HD13 ILE 13 HD13 ILE 13 -2.263 -0.385 -34.706 119 H GLN 14 HN GLN 14 -1.087 4.406 -31.075 120 HA GLN 14 HA GLN 14 0.457 4.060 -28.793 121 HB2 GLN 14 HB2 GLN 14 -0.241 6.511 -30.419 122 HB3 GLN 14 HB1 GLN 14 0.947 6.515 -29.116 123 HG2 GLN 14 HG2 GLN 14 2.237 4.768 -30.274 124 HG3 GLN 14 HG1 GLN 14 1.043 4.736 -31.570 125 HE21 GLN 14 HE21 GLN 14 4.000 6.107 -30.694 126 HE22 GLN 14 HE22 GLN 14 3.980 7.438 -31.746 127 H GLU 15 HN GLU 15 -2.615 5.785 -29.274 128 HA GLU 15 HA GLU 15 -2.704 7.100 -26.769 129 HB2 GLU 15 HB2 GLU 15 -4.843 6.282 -28.742 130 HB3 GLU 15 HB1 GLU 15 -5.167 7.238 -27.296 131 HG2 GLU 15 HG2 GLU 15 -3.571 8.954 -28.065 132 HG3 GLU 15 HG1 GLU 15 -3.232 7.994 -29.503 133 H GLU 16 HN GLU 16 -3.887 3.948 -27.915 134 HA GLU 16 HA GLU 16 -5.356 3.301 -25.590 135 HB2 GLU 16 HB2 GLU 16 -4.051 1.543 -27.674 136 HB3 GLU 16 HB1 GLU 16 -5.118 0.943 -26.404 137 HG2 GLU 16 HG2 GLU 16 -5.862 3.050 -28.449 138 HG3 GLU 16 HG1 GLU 16 -6.333 1.359 -28.534 139 H MET 17 HN MET 17 -1.963 2.701 -26.527 140 HA MET 17 HA MET 17 -1.254 1.096 -24.359 141 HB2 MET 17 HB2 MET 17 0.357 2.963 -26.105 142 HB3 MET 17 HB1 MET 17 1.079 1.910 -24.891 143 HG2 MET 17 HG2 MET 17 0.062 -0.055 -26.000 144 HG3 MET 17 HG1 MET 17 -0.627 1.006 -27.229 145 HE1 MET 17 HE1 MET 17 1.933 -0.697 -29.333 146 HE2 MET 17 HE2 MET 17 0.333 -0.773 -28.597 147 HE3 MET 17 HE3 MET 17 1.696 -1.569 -27.813 148 H GLU 18 HN GLU 18 -1.302 4.615 -24.739 149 HA GLU 18 HA GLU 18 0.086 5.271 -22.357 150 HB2 GLU 18 HB2 GLU 18 -1.962 6.774 -23.997 151 HB3 GLU 18 HB1 GLU 18 -1.112 7.479 -22.622 152 HG2 GLU 18 HG2 GLU 18 0.252 6.267 -25.042 153 HG3 GLU 18 HG1 GLU 18 -0.021 7.992 -24.812 154 H LYS 19 HN LYS 19 -3.368 4.791 -23.063 155 HA LYS 19 HA LYS 19 -4.336 5.514 -20.507 156 HB2 LYS 19 HB2 LYS 19 -5.444 3.651 -22.616 157 HB3 LYS 19 HB1 LYS 19 -6.327 4.108 -21.159 158 HG2 LYS 19 HG2 LYS 19 -6.062 6.506 -21.795 159 HG3 LYS 19 HG1 LYS 19 -5.286 5.995 -23.292 160 HD2 LYS 19 HD2 LYS 19 -8.048 5.062 -22.496 161 HD3 LYS 19 HD1 LYS 19 -7.780 6.521 -23.447 162 HE2 LYS 19 HE2 LYS 19 -6.497 5.113 -25.101 163 HE3 LYS 19 HE1 LYS 19 -7.001 3.688 -24.195 164 HZ1 LYS 19 HZ1 LYS 19 -8.943 5.672 -25.226 165 HZ2 LYS 19 HZ2 LYS 19 -9.241 4.088 -24.682 166 HZ3 LYS 19 HZ3 LYS 19 -8.430 4.345 -26.149 167 H GLU 20 HN GLU 20 -3.317 2.399 -21.866 168 HA GLU 20 HA GLU 20 -3.955 0.799 -19.626 169 HB2 GLU 20 HB2 GLU 20 -1.913 0.451 -21.829 170 HB3 GLU 20 HB1 GLU 20 -2.255 -0.780 -20.615 171 HG2 GLU 20 HG2 GLU 20 -4.604 -0.847 -21.309 172 HG3 GLU 20 HG1 GLU 20 -4.309 0.429 -22.488 173 H ARG 21 HN ARG 21 -1.028 2.549 -20.564 174 HA ARG 21 HA ARG 21 0.653 1.627 -18.493 175 HB2 ARG 21 HB2 ARG 21 1.452 2.866 -20.501 176 HB3 ARG 21 HB1 ARG 21 0.703 4.329 -19.865 177 HG2 ARG 21 HG2 ARG 21 2.109 3.949 -17.751 178 HG3 ARG 21 HG1 ARG 21 2.998 2.752 -18.687 179 HD2 ARG 21 HD2 ARG 21 3.609 4.442 -20.339 180 HD3 ARG 21 HD1 ARG 21 2.647 5.652 -19.495 181 HE ARG 21 HE ARG 21 5.277 4.759 -18.791 182 HH11 ARG 21 HH11 ARG 21 2.285 5.961 -17.443 183 HH12 ARG 21 HH12 ARG 21 3.049 6.598 -16.028 184 HH21 ARG 21 HH21 ARG 21 6.236 5.643 -16.961 185 HH22 ARG 21 HH22 ARG 21 5.263 6.446 -15.776 186 H LYS 22 HN LYS 22 -1.544 4.416 -18.696 187 HA LYS 22 HA LYS 22 -0.911 5.555 -16.195 188 HB2 LYS 22 HB2 LYS 22 -2.174 6.726 -17.983 189 HB3 LYS 22 HB1 LYS 22 -3.546 5.659 -17.684 190 HG2 LYS 22 HG2 LYS 22 -3.681 6.460 -15.365 191 HG3 LYS 22 HG1 LYS 22 -2.289 7.508 -15.633 192 HD2 LYS 22 HD2 LYS 22 -3.543 8.737 -17.364 193 HD3 LYS 22 HD1 LYS 22 -4.931 7.680 -17.114 194 HE2 LYS 22 HE2 LYS 22 -5.248 9.758 -15.859 195 HE3 LYS 22 HE1 LYS 22 -5.037 8.410 -14.742 196 HZ1 LYS 22 HZ1 LYS 22 -2.667 9.909 -15.600 197 HZ2 LYS 22 HZ2 LYS 22 -2.970 9.105 -14.135 198 HZ3 LYS 22 HZ3 LYS 22 -3.693 10.610 -14.444 199 H ARG 23 HN ARG 23 -3.333 3.155 -17.171 200 HA ARG 23 HA ARG 23 -4.655 2.943 -14.691 201 HB2 ARG 23 HB2 ARG 23 -4.298 0.991 -16.970 202 HB3 ARG 23 HB1 ARG 23 -5.291 0.638 -15.556 203 HG2 ARG 23 HG2 ARG 23 -6.642 2.658 -16.000 204 HG3 ARG 23 HG1 ARG 23 -5.655 3.005 -17.418 205 HD2 ARG 23 HD2 ARG 23 -6.349 0.919 -18.468 206 HD3 ARG 23 HD1 ARG 23 -7.255 0.457 -17.030 207 HE ARG 23 HE ARG 23 -8.063 2.352 -19.058 208 HH11 ARG 23 HH11 ARG 23 -8.473 1.366 -15.730 209 HH12 ARG 23 HH12 ARG 23 -10.053 2.058 -15.604 210 HH21 ARG 23 HH21 ARG 23 -10.120 3.236 -18.850 211 HH22 ARG 23 HH22 ARG 23 -10.974 3.106 -17.352 212 H ARG 24 HN ARG 24 -1.831 1.228 -16.032 213 HA ARG 24 HA ARG 24 -1.529 -0.596 -13.894 214 HB2 ARG 24 HB2 ARG 24 0.371 0.544 -15.945 215 HB3 ARG 24 HB1 ARG 24 0.894 -0.628 -14.734 216 HG2 ARG 24 HG2 ARG 24 -0.756 -2.236 -15.513 217 HG3 ARG 24 HG1 ARG 24 -1.425 -1.061 -16.642 218 HD2 ARG 24 HD2 ARG 24 1.473 -1.898 -16.752 219 HD3 ARG 24 HD1 ARG 24 0.219 -2.811 -17.585 220 HE ARG 24 HE ARG 24 -0.107 -0.152 -18.323 221 HH11 ARG 24 HH11 ARG 24 2.353 -2.612 -18.618 222 HH12 ARG 24 HH12 ARG 24 2.966 -1.978 -20.106 223 HH21 ARG 24 HH21 ARG 24 0.710 0.629 -20.275 224 HH22 ARG 24 HH22 ARG 24 2.049 -0.165 -21.029 225 H GLU 25 HN GLU 25 -0.230 2.657 -14.485 226 HA GLU 25 HA GLU 25 1.448 2.781 -12.225 227 HB2 GLU 25 HB2 GLU 25 1.441 4.359 -14.193 228 HB3 GLU 25 HB1 GLU 25 -0.021 5.081 -13.524 229 HG2 GLU 25 HG2 GLU 25 1.139 5.738 -11.512 230 HG3 GLU 25 HG1 GLU 25 2.577 4.847 -11.991 231 H GLU 26 HN GLU 26 -1.951 3.651 -12.698 232 HA GLU 26 HA GLU 26 -2.413 4.737 -10.127 233 HB2 GLU 26 HB2 GLU 26 -4.277 3.401 -12.100 234 HB3 GLU 26 HB1 GLU 26 -4.825 4.174 -10.611 235 HG2 GLU 26 HG2 GLU 26 -3.888 6.306 -11.320 236 HG3 GLU 26 HG1 GLU 26 -3.197 5.562 -12.758 237 H ASP 27 HN ASP 27 -2.723 1.455 -11.407 238 HA ASP 27 HA ASP 27 -3.769 0.230 -9.083 239 HB2 ASP 27 HB2 ASP 27 -3.784 -0.847 -11.308 240 HB3 ASP 27 HB1 ASP 27 -2.029 -1.000 -11.233 241 H GLU 28 HN GLU 28 -0.462 0.766 -10.221 242 HA GLU 28 HA GLU 28 0.855 -0.701 -8.197 243 HB2 GLU 28 HB2 GLU 28 1.728 1.636 -9.900 244 HB3 GLU 28 HB1 GLU 28 2.808 0.824 -8.768 245 HG2 GLU 28 HG2 GLU 28 1.293 -0.590 -10.977 246 HG3 GLU 28 HG1 GLU 28 2.964 -0.048 -11.121 247 H GLN 29 HN GLN 29 -0.128 2.704 -8.407 248 HA GLN 29 HA GLN 29 1.020 3.560 -5.981 249 HB2 GLN 29 HB2 GLN 29 0.094 5.053 -7.777 250 HB3 GLN 29 HB1 GLN 29 -1.525 4.603 -7.247 251 HG2 GLN 29 HG2 GLN 29 -1.012 5.456 -4.981 252 HG3 GLN 29 HG1 GLN 29 0.593 5.931 -5.532 253 HE21 GLN 29 HE21 GLN 29 0.477 8.203 -5.580 254 HE22 GLN 29 HE22 GLN 29 -0.719 9.076 -6.412 255 H ARG 30 HN ARG 30 -2.162 2.189 -6.731 256 HA ARG 30 HA ARG 30 -3.295 2.459 -4.161 257 HB2 ARG 30 HB2 ARG 30 -3.808 0.472 -6.389 258 HB3 ARG 30 HB1 ARG 30 -4.805 0.593 -4.941 259 HG2 ARG 30 HG2 ARG 30 -4.253 2.990 -6.697 260 HG3 ARG 30 HG1 ARG 30 -5.603 1.900 -7.008 261 HD2 ARG 30 HD2 ARG 30 -6.500 2.311 -4.778 262 HD3 ARG 30 HD1 ARG 30 -5.115 3.318 -4.374 263 HE ARG 30 HE ARG 30 -6.262 4.447 -6.631 264 HH11 ARG 30 HH11 ARG 30 -7.217 3.761 -3.341 265 HH12 ARG 30 HH12 ARG 30 -8.321 5.090 -3.268 266 HH21 ARG 30 HH21 ARG 30 -7.704 6.161 -6.495 267 HH22 ARG 30 HH22 ARG 30 -8.593 6.436 -5.037 268 H ARG 31 HN ARG 31 -1.419 -0.140 -5.665 269 HA ARG 31 HA ARG 31 -1.603 -1.999 -3.550 270 HB2 ARG 31 HB2 ARG 31 -0.720 -2.369 -5.936 271 HB3 ARG 31 HB1 ARG 31 0.802 -1.694 -5.351 272 HG2 ARG 31 HG2 ARG 31 0.853 -3.404 -3.561 273 HG3 ARG 31 HG1 ARG 31 -0.634 -4.104 -4.195 274 HD2 ARG 31 HD2 ARG 31 2.072 -3.971 -5.525 275 HD3 ARG 31 HD1 ARG 31 1.164 -5.406 -5.073 276 HE ARG 31 HE ARG 31 -0.517 -4.611 -6.804 277 HH11 ARG 31 HH11 ARG 31 2.925 -3.971 -7.108 278 HH12 ARG 31 HH12 ARG 31 2.821 -3.797 -8.823 279 HH21 ARG 31 HH21 ARG 31 -0.559 -4.345 -9.040 280 HH22 ARG 31 HH22 ARG 31 0.912 -3.997 -9.885 281 H ARG 32 HN ARG 32 0.718 0.586 -4.251 282 HA ARG 32 HA ARG 32 2.494 0.034 -2.118 283 HB2 ARG 32 HB2 ARG 32 2.975 1.557 -4.042 284 HB3 ARG 32 HB1 ARG 32 1.879 2.736 -3.335 285 HG2 ARG 32 HG2 ARG 32 4.000 1.654 -1.529 286 HG3 ARG 32 HG1 ARG 32 4.543 2.692 -2.839 287 HD2 ARG 32 HD2 ARG 32 3.248 4.520 -2.100 288 HD3 ARG 32 HD1 ARG 32 2.243 3.509 -1.069 289 HE ARG 32 HE ARG 32 5.034 3.552 -0.320 290 HH11 ARG 32 HH11 ARG 32 1.917 5.088 0.048 291 HH12 ARG 32 HH12 ARG 32 2.312 5.768 1.587 292 HH21 ARG 32 HH21 ARG 32 5.519 4.485 1.671 293 HH22 ARG 32 HH22 ARG 32 4.326 5.431 2.494 294 H LYS 33 HN LYS 33 -0.358 2.125 -2.343 295 HA LYS 33 HA LYS 33 -0.232 3.185 0.272 296 HB2 LYS 33 HB2 LYS 33 -1.685 4.073 -1.564 297 HB3 LYS 33 HB1 LYS 33 -2.730 2.666 -1.357 298 HG2 LYS 33 HG2 LYS 33 -3.167 3.291 0.966 299 HG3 LYS 33 HG1 LYS 33 -2.057 4.653 0.832 300 HD2 LYS 33 HD2 LYS 33 -3.481 5.629 -0.945 301 HD3 LYS 33 HD1 LYS 33 -4.608 4.286 -0.765 302 HE2 LYS 33 HE2 LYS 33 -3.835 6.141 1.500 303 HE3 LYS 33 HE1 LYS 33 -5.268 6.368 0.501 304 HZ1 LYS 33 HZ1 LYS 33 -4.939 3.710 1.619 305 HZ2 LYS 33 HZ2 LYS 33 -6.330 4.671 1.490 306 HZ3 LYS 33 HZ3 LYS 33 -5.226 4.934 2.753 307 H GLU 34 HN GLU 34 -1.825 0.307 -1.041 308 HA GLU 34 HA GLU 34 -3.156 -0.498 1.302 309 HB2 GLU 34 HB2 GLU 34 -2.124 -2.052 -1.071 310 HB3 GLU 34 HB1 GLU 34 -3.040 -2.804 0.233 311 HG2 GLU 34 HG2 GLU 34 -4.023 -0.432 -1.374 312 HG3 GLU 34 HG1 GLU 34 -4.458 -2.106 -1.717 313 H GLU 35 HN GLU 35 0.094 -1.237 0.098 314 HA GLU 35 HA GLU 35 0.818 -3.082 2.120 315 HB2 GLU 35 HB2 GLU 35 2.033 -2.750 -0.048 316 HB3 GLU 35 HB1 GLU 35 2.652 -1.227 0.590 317 HG2 GLU 35 HG2 GLU 35 4.323 -2.922 0.991 318 HG3 GLU 35 HG1 GLU 35 3.595 -2.497 2.535 319 H GLU 36 HN GLU 36 1.127 0.398 1.826 320 HA GLU 36 HA GLU 36 2.651 0.840 4.191 321 HB2 GLU 36 HB2 GLU 36 2.346 2.531 2.362 322 HB3 GLU 36 HB1 GLU 36 0.693 2.771 2.928 323 HG2 GLU 36 HG2 GLU 36 1.509 3.455 5.128 324 HG3 GLU 36 HG1 GLU 36 3.170 3.141 4.633 325 H GLU 37 HN GLU 37 -0.834 0.835 3.541 326 HA GLU 37 HA GLU 37 -1.683 1.551 6.131 327 HB2 GLU 37 HB2 GLU 37 -3.035 -0.039 3.945 328 HB3 GLU 37 HB1 GLU 37 -3.837 0.400 5.452 329 HG2 GLU 37 HG2 GLU 37 -3.392 2.784 4.994 330 HG3 GLU 37 HG1 GLU 37 -2.602 2.346 3.480 331 H ARG 38 HN ARG 38 -1.025 -1.613 4.650 332 HA ARG 38 HA ARG 38 -1.899 -3.192 6.824 333 HB2 ARG 38 HB2 ARG 38 -1.391 -4.060 4.542 334 HB3 ARG 38 HB1 ARG 38 0.322 -3.784 4.847 335 HG2 ARG 38 HG2 ARG 38 0.200 -5.312 6.803 336 HG3 ARG 38 HG1 ARG 38 -1.494 -5.636 6.420 337 HD2 ARG 38 HD2 ARG 38 -0.792 -6.415 4.155 338 HD3 ARG 38 HD1 ARG 38 0.889 -6.188 4.631 339 HE ARG 38 HE ARG 38 -0.538 -7.876 6.456 340 HH11 ARG 38 HH11 ARG 38 1.129 -7.826 3.386 341 HH12 ARG 38 HH12 ARG 38 1.514 -9.511 3.443 342 HH21 ARG 38 HH21 ARG 38 -0.021 -10.056 6.494 343 HH22 ARG 38 HH22 ARG 38 0.867 -10.762 5.188 344 H ARG 39 HN ARG 39 1.341 -1.849 6.008 345 HA ARG 39 HA ARG 39 2.716 -2.928 8.161 346 HB2 ARG 39 HB2 ARG 39 3.808 -1.802 6.260 347 HB3 ARG 39 HB1 ARG 39 3.141 -0.259 6.792 348 HG2 ARG 39 HG2 ARG 39 4.371 -0.456 8.920 349 HG3 ARG 39 HG1 ARG 39 5.040 -2.001 8.393 350 HD2 ARG 39 HD2 ARG 39 6.194 -0.948 6.550 351 HD3 ARG 39 HD1 ARG 39 5.397 0.591 6.870 352 HE ARG 39 HE ARG 39 6.697 0.024 9.205 353 HH11 ARG 39 HH11 ARG 39 7.674 0.317 5.865 354 HH12 ARG 39 HH12 ARG 39 9.265 0.865 6.262 355 HH21 ARG 39 HH21 ARG 39 8.769 0.734 9.681 356 HH22 ARG 39 HH22 ARG 39 9.881 1.100 8.405 357 H MET 40 HN MET 40 0.876 0.124 7.919 358 HA MET 40 HA MET 40 1.543 1.148 10.448 359 HB2 MET 40 HB2 MET 40 -0.874 1.487 8.667 360 HB3 MET 40 HB1 MET 40 -0.691 2.366 10.186 361 HG2 MET 40 HG2 MET 40 1.418 3.334 9.398 362 HG3 MET 40 HG1 MET 40 1.305 2.408 7.902 363 HE1 MET 40 HE1 MET 40 0.715 5.496 6.176 364 HE2 MET 40 HE2 MET 40 1.906 4.461 6.957 365 HE3 MET 40 HE3 MET 40 1.377 5.941 7.752 366 H LYS 41 HN LYS 41 -1.070 -1.021 9.402 367 HA LYS 41 HA LYS 41 -2.417 -1.186 11.883 368 HB2 LYS 41 HB2 LYS 41 -2.224 -3.127 9.570 369 HB3 LYS 41 HB1 LYS 41 -3.298 -3.352 10.952 370 HG2 LYS 41 HG2 LYS 41 -4.402 -1.216 10.471 371 HG3 LYS 41 HG1 LYS 41 -3.308 -0.933 9.119 372 HD2 LYS 41 HD2 LYS 41 -4.147 -3.027 8.051 373 HD3 LYS 41 HD1 LYS 41 -5.305 -3.203 9.368 374 HE2 LYS 41 HE2 LYS 41 -5.142 -0.823 7.494 375 HE3 LYS 41 HE1 LYS 41 -6.328 -2.123 7.383 376 HZ1 LYS 41 HZ1 LYS 41 -7.337 -0.355 8.554 377 HZ2 LYS 41 HZ2 LYS 41 -5.997 -0.159 9.578 378 HZ3 LYS 41 HZ3 LYS 41 -6.974 -1.542 9.711 379 H LEU 42 HN LEU 42 0.210 -3.059 10.452 380 HA LEU 42 HA LEU 42 0.399 -5.018 12.494 381 HB2 LEU 42 HB2 LEU 42 2.435 -3.955 10.531 382 HB3 LEU 42 HB1 LEU 42 2.767 -5.291 11.634 383 HG LEU 42 HG LEU 42 0.391 -5.291 9.760 384 HD11 LEU 42 HD11 LEU 42 2.330 -5.156 8.335 385 HD12 LEU 42 HD12 LEU 42 1.823 -6.845 8.365 386 HD13 LEU 42 HD13 LEU 42 3.207 -6.322 9.327 387 HD21 LEU 42 HD21 LEU 42 0.685 -7.795 10.131 388 HD22 LEU 42 HD22 LEU 42 0.171 -6.883 11.550 389 HD23 LEU 42 HD23 LEU 42 1.852 -7.388 11.389 390 H GLU 43 HN GLU 43 1.990 -1.891 12.039 391 HA GLU 43 HA GLU 43 3.664 -1.992 14.307 392 HB2 GLU 43 HB2 GLU 43 2.470 0.351 12.815 393 HB3 GLU 43 HB1 GLU 43 3.636 0.529 14.124 394 HG2 GLU 43 HG2 GLU 43 5.262 -0.826 12.895 395 HG3 GLU 43 HG1 GLU 43 4.097 -1.089 11.606 396 H MET 44 HN MET 44 0.361 -0.825 13.859 397 HA MET 44 HA MET 44 -0.008 0.273 16.431 398 HB2 MET 44 HB2 MET 44 -1.933 -0.863 14.400 399 HB3 MET 44 HB1 MET 44 -2.478 -0.179 15.932 400 HG2 MET 44 HG2 MET 44 -0.732 1.304 13.948 401 HG3 MET 44 HG1 MET 44 -2.485 1.466 14.026 402 HE1 MET 44 HE1 MET 44 -0.407 3.792 14.221 403 HE2 MET 44 HE2 MET 44 -1.069 4.791 15.513 404 HE3 MET 44 HE3 MET 44 -2.150 4.073 14.321 405 H GLU 45 HN GLU 45 -0.584 -2.986 15.176 406 HA GLU 45 HA GLU 45 -1.730 -4.105 17.496 407 HB2 GLU 45 HB2 GLU 45 -1.746 -5.161 15.220 408 HB3 GLU 45 HB1 GLU 45 -0.039 -5.544 15.440 409 HG2 GLU 45 HG2 GLU 45 -0.596 -6.835 17.474 410 HG3 GLU 45 HG1 GLU 45 -2.303 -6.467 17.234 411 H ALA 46 HN ALA 46 1.613 -3.830 16.404 412 HA ALA 46 HA ALA 46 2.822 -5.358 18.450 413 HB1 ALA 46 HB1 ALA 46 3.938 -3.011 16.887 414 HB2 ALA 46 HB2 ALA 46 4.047 -4.712 16.429 415 HB3 ALA 46 HB3 ALA 46 4.893 -4.128 17.864 416 H LYS 47 HN LYS 47 2.065 -1.896 18.207 417 HA LYS 47 HA LYS 47 3.232 -1.087 20.625 418 HB2 LYS 47 HB2 LYS 47 0.814 -0.008 19.151 419 HB3 LYS 47 HB1 LYS 47 1.580 0.808 20.511 420 HG2 LYS 47 HG2 LYS 47 3.101 0.003 18.026 421 HG3 LYS 47 HG1 LYS 47 2.328 1.577 18.197 422 HD2 LYS 47 HD2 LYS 47 3.653 1.934 20.296 423 HD3 LYS 47 HD1 LYS 47 4.499 0.422 19.971 424 HE2 LYS 47 HE2 LYS 47 4.407 2.770 18.058 425 HE3 LYS 47 HE1 LYS 47 5.748 2.428 19.153 426 HZ1 LYS 47 HZ1 LYS 47 4.743 0.667 16.982 427 HZ2 LYS 47 HZ2 LYS 47 5.950 0.233 18.094 428 HZ3 LYS 47 HZ3 LYS 47 6.216 1.507 17.003 429 H ARG 48 HN ARG 48 -0.053 -2.299 19.942 430 HA ARG 48 HA ARG 48 -1.087 -2.019 22.546 431 HB2 ARG 48 HB2 ARG 48 -1.768 -3.915 20.291 432 HB3 ARG 48 HB1 ARG 48 -2.687 -3.834 21.795 433 HG2 ARG 48 HG2 ARG 48 -3.127 -1.443 21.408 434 HG3 ARG 48 HG1 ARG 48 -2.194 -1.504 19.914 435 HD2 ARG 48 HD2 ARG 48 -4.568 -1.691 19.379 436 HD3 ARG 48 HD1 ARG 48 -3.775 -3.228 19.044 437 HE ARG 48 HE ARG 48 -5.001 -4.192 20.749 438 HH11 ARG 48 HH11 ARG 48 -5.196 -0.716 21.039 439 HH12 ARG 48 HH12 ARG 48 -6.405 -0.777 22.273 440 HH21 ARG 48 HH21 ARG 48 -6.557 -4.229 22.359 441 HH22 ARG 48 HH22 ARG 48 -7.166 -2.750 23.015 442 H LYS 49 HN LYS 49 0.620 -4.661 20.949 443 HA LYS 49 HA LYS 49 0.396 -6.564 23.027 444 HB2 LYS 49 HB2 LYS 49 1.235 -6.902 20.615 445 HB3 LYS 49 HB1 LYS 49 2.796 -6.337 21.213 446 HG2 LYS 49 HG2 LYS 49 2.850 -8.122 22.876 447 HG3 LYS 49 HG1 LYS 49 1.245 -8.662 22.390 448 HD2 LYS 49 HD2 LYS 49 3.559 -8.532 20.449 449 HD3 LYS 49 HD1 LYS 49 3.220 -9.965 21.417 450 HE2 LYS 49 HE2 LYS 49 0.909 -10.007 20.477 451 HE3 LYS 49 HE1 LYS 49 1.335 -8.648 19.440 452 HZ1 LYS 49 HZ1 LYS 49 3.286 -10.175 18.749 453 HZ2 LYS 49 HZ2 LYS 49 1.744 -10.440 18.089 454 HZ3 LYS 49 HZ3 LYS 49 2.308 -11.424 19.354 455 H GLN 50 HN GLN 50 2.871 -4.108 22.348 456 HA GLN 50 HA GLN 50 4.590 -4.753 24.501 457 HB2 GLN 50 HB2 GLN 50 5.194 -3.274 22.566 458 HB3 GLN 50 HB1 GLN 50 4.176 -2.019 23.272 459 HG2 GLN 50 HG2 GLN 50 6.467 -1.620 23.961 460 HG3 GLN 50 HG1 GLN 50 5.549 -2.165 25.364 461 HE21 GLN 50 HE21 GLN 50 7.063 -3.380 26.557 462 HE22 GLN 50 HE22 GLN 50 7.980 -4.653 25.908 463 H GLU 51 HN GLU 51 1.875 -2.490 24.211 464 HA GLU 51 HA GLU 51 2.049 -1.353 26.773 465 HB2 GLU 51 HB2 GLU 51 -0.294 -1.740 24.902 466 HB3 GLU 51 HB1 GLU 51 -0.411 -0.856 26.422 467 HG2 GLU 51 HG2 GLU 51 1.270 0.731 25.694 468 HG3 GLU 51 HG1 GLU 51 1.576 -0.197 24.228 469 H GLU 52 HN GLU 52 0.340 -4.226 25.590 470 HA GLU 52 HA GLU 52 -1.074 -4.840 27.941 471 HB2 GLU 52 HB2 GLU 52 -1.460 -5.842 25.662 472 HB3 GLU 52 HB1 GLU 52 -0.009 -6.812 25.913 473 HG2 GLU 52 HG2 GLU 52 -1.909 -8.149 26.575 474 HG3 GLU 52 HG1 GLU 52 -1.032 -7.685 28.027 475 H GLU 53 HN GLU 53 2.150 -5.755 26.836 476 HA GLU 53 HA GLU 53 2.770 -7.598 28.897 477 HB2 GLU 53 HB2 GLU 53 4.531 -5.867 27.151 478 HB3 GLU 53 HB1 GLU 53 5.165 -7.068 28.278 479 HG2 GLU 53 HG2 GLU 53 3.143 -7.691 26.114 480 HG3 GLU 53 HG1 GLU 53 4.877 -7.908 25.916 481 H GLU 54 HN GLU 54 3.301 -4.102 28.593 482 HA GLU 54 HA GLU 54 4.706 -3.719 31.002 483 HB2 GLU 54 HB2 GLU 54 2.995 -1.902 29.308 484 HB3 GLU 54 HB1 GLU 54 3.803 -1.334 30.765 485 HG2 GLU 54 HG2 GLU 54 5.214 -2.684 28.445 486 HG3 GLU 54 HG1 GLU 54 5.137 -0.939 28.685 487 H ARG 55 HN ARG 55 1.247 -3.676 30.253 488 HA ARG 55 HA ARG 55 0.336 -2.776 32.763 489 HB2 ARG 55 HB2 ARG 55 -0.958 -4.508 30.650 490 HB3 ARG 55 HB1 ARG 55 -1.808 -3.956 32.094 491 HG2 ARG 55 HG2 ARG 55 -1.357 -1.618 31.488 492 HG3 ARG 55 HG1 ARG 55 -0.466 -2.144 30.063 493 HD2 ARG 55 HD2 ARG 55 -2.501 -3.221 29.181 494 HD3 ARG 55 HD1 ARG 55 -3.399 -2.705 30.605 495 HE ARG 55 HE ARG 55 -2.613 -1.065 28.357 496 HH11 ARG 55 HH11 ARG 55 -3.530 -1.054 31.729 497 HH12 ARG 55 HH12 ARG 55 -4.083 0.584 31.686 498 HH21 ARG 55 HH21 ARG 55 -3.332 1.056 28.345 499 HH22 ARG 55 HH22 ARG 55 -3.969 1.769 29.786 500 H LYS 56 HN LYS 56 0.926 -6.035 31.530 501 HA LYS 56 HA LYS 56 0.015 -7.492 33.777 502 HB2 LYS 56 HB2 LYS 56 0.524 -8.459 31.513 503 HB3 LYS 56 HB1 LYS 56 2.239 -8.282 31.882 504 HG2 LYS 56 HG2 LYS 56 1.973 -9.731 33.859 505 HG3 LYS 56 HG1 LYS 56 0.256 -9.902 33.507 506 HD2 LYS 56 HD2 LYS 56 2.383 -10.660 31.499 507 HD3 LYS 56 HD1 LYS 56 1.790 -11.797 32.707 508 HE2 LYS 56 HE2 LYS 56 0.051 -10.339 30.694 509 HE3 LYS 56 HE1 LYS 56 0.576 -12.015 30.553 510 HZ1 LYS 56 HZ1 LYS 56 -1.467 -12.239 31.543 511 HZ2 LYS 56 HZ2 LYS 56 -1.314 -10.815 32.457 512 HZ3 LYS 56 HZ3 LYS 56 -0.456 -12.211 32.904 513 H LYS 57 HN LYS 57 3.173 -6.163 32.925 514 HA LYS 57 HA LYS 57 4.623 -7.225 35.128 515 HB2 LYS 57 HB2 LYS 57 5.080 -4.766 33.425 516 HB3 LYS 57 HB1 LYS 57 6.222 -5.345 34.639 517 HG2 LYS 57 HG2 LYS 57 6.404 -7.497 33.483 518 HG3 LYS 57 HG1 LYS 57 5.217 -6.977 32.287 519 HD2 LYS 57 HD2 LYS 57 6.718 -5.125 31.613 520 HD3 LYS 57 HD1 LYS 57 7.911 -5.678 32.789 521 HE2 LYS 57 HE2 LYS 57 8.099 -7.827 31.630 522 HE3 LYS 57 HE1 LYS 57 6.854 -7.339 30.482 523 HZ1 LYS 57 HZ1 LYS 57 8.407 -5.346 30.071 524 HZ2 LYS 57 HZ2 LYS 57 8.798 -6.845 29.373 525 HZ3 LYS 57 HZ3 LYS 57 9.606 -6.322 30.773 526 H ARG 58 HN ARG 58 2.884 -4.175 34.634 527 HA ARG 58 HA ARG 58 3.528 -2.998 37.121 528 HB2 ARG 58 HB2 ARG 58 1.290 -2.579 35.150 529 HB3 ARG 58 HB1 ARG 58 1.324 -1.715 36.686 530 HG2 ARG 58 HG2 ARG 58 3.404 -0.674 36.181 531 HG3 ARG 58 HG1 ARG 58 3.693 -1.750 34.814 532 HD2 ARG 58 HD2 ARG 58 1.952 -0.723 33.528 533 HD3 ARG 58 HD1 ARG 58 1.342 0.151 34.929 534 HE ARG 58 HE ARG 58 2.926 1.764 34.519 535 HH11 ARG 58 HH11 ARG 58 3.972 -1.188 32.983 536 HH12 ARG 58 HH12 ARG 58 5.329 -0.441 32.216 537 HH21 ARG 58 HH21 ARG 58 4.701 2.702 33.514 538 HH22 ARG 58 HH22 ARG 58 5.737 1.740 32.516 539 H GLU 59 HN GLU 59 0.857 -5.082 36.110 540 HA GLU 59 HA GLU 59 -0.635 -4.960 38.498 541 HB2 GLU 59 HB2 GLU 59 -0.442 -7.051 36.329 542 HB3 GLU 59 HB1 GLU 59 -1.566 -7.168 37.681 543 HG2 GLU 59 HG2 GLU 59 -1.436 -4.801 35.799 544 HG3 GLU 59 HG1 GLU 59 -2.573 -6.136 35.621 545 H ASP 60 HN ASP 60 1.974 -7.099 37.439 546 HA ASP 60 HA ASP 60 1.879 -8.911 39.605 547 HB2 ASP 60 HB2 ASP 60 3.895 -8.199 37.526 548 HB3 ASP 60 HB1 ASP 60 4.439 -9.123 38.922 549 H ASP 61 HN ASP 61 3.671 -5.849 39.139 550 HA ASP 61 HA ASP 61 5.250 -5.995 41.438 551 HB2 ASP 61 HB2 ASP 61 4.236 -3.697 39.768 552 HB3 ASP 61 HB1 ASP 61 5.330 -3.480 41.127 553 H GLU 62 HN GLU 62 1.946 -4.741 40.912 554 HA GLU 62 HA GLU 62 1.646 -3.480 43.422 555 HB2 GLU 62 HB2 GLU 62 0.281 -3.012 41.381 556 HB3 GLU 62 HB1 GLU 62 -0.497 -4.575 41.598 557 HG2 GLU 62 HG2 GLU 62 -1.277 -3.903 43.823 558 HG3 GLU 62 HG1 GLU 62 -0.455 -2.360 43.660 559 H LYS 63 HN LYS 63 0.880 -6.727 42.212 560 HA LYS 63 HA LYS 63 -0.634 -7.604 44.398 561 HB2 LYS 63 HB2 LYS 63 1.089 -9.105 42.420 562 HB3 LYS 63 HB1 LYS 63 0.049 -9.900 43.602 563 HG2 LYS 63 HG2 LYS 63 -1.915 -8.747 42.670 564 HG3 LYS 63 HG1 LYS 63 -0.888 -7.920 41.502 565 HD2 LYS 63 HD2 LYS 63 -0.211 -10.101 40.557 566 HD3 LYS 63 HD1 LYS 63 -1.256 -10.923 41.716 567 HE2 LYS 63 HE2 LYS 63 -3.220 -9.762 40.780 568 HE3 LYS 63 HE1 LYS 63 -2.181 -8.929 39.626 569 HZ1 LYS 63 HZ1 LYS 63 -1.537 -11.068 38.711 570 HZ2 LYS 63 HZ2 LYS 63 -3.221 -10.868 38.638 571 HZ3 LYS 63 HZ3 LYS 63 -2.535 -11.872 39.823 572 H ARG 64 HN ARG 64 2.932 -7.692 43.825 573 HA ARG 64 HA ARG 64 3.360 -9.137 46.275 574 HB2 ARG 64 HB2 ARG 64 5.202 -7.724 44.328 575 HB3 ARG 64 HB1 ARG 64 5.754 -8.650 45.725 576 HG2 ARG 64 HG2 ARG 64 4.829 -10.680 44.863 577 HG3 ARG 64 HG1 ARG 64 3.932 -9.821 43.613 578 HD2 ARG 64 HD2 ARG 64 6.066 -9.116 42.576 579 HD3 ARG 64 HD1 ARG 64 6.951 -10.000 43.817 580 HE ARG 64 HE ARG 64 6.456 -11.968 42.713 581 HH11 ARG 64 HH11 ARG 64 4.346 -9.442 41.508 582 HH12 ARG 64 HH12 ARG 64 3.740 -10.427 40.222 583 HH21 ARG 64 HH21 ARG 64 5.615 -13.201 41.031 584 HH22 ARG 64 HH22 ARG 64 4.442 -12.515 39.960 585 H ILE 65 HN ILE 65 2.210 -6.122 45.876 586 HA ILE 65 HA ILE 65 2.162 -4.253 47.152 587 HB ILE 65 HB ILE 65 3.752 -5.881 49.150 588 HG12 ILE 65 HG12 ILE 65 0.750 -5.499 49.079 589 HG13 ILE 65 HG11 ILE 65 1.542 -6.896 48.349 590 HG21 ILE 65 HG21 ILE 65 2.148 -3.329 49.316 591 HG22 ILE 65 HG22 ILE 65 3.820 -3.608 49.804 592 HG23 ILE 65 HG23 ILE 65 2.503 -4.304 50.743 593 HD11 ILE 65 HD11 ILE 65 1.650 -6.071 51.264 594 HD12 ILE 65 HD12 ILE 65 2.631 -7.359 50.563 595 HD13 ILE 65 HD13 ILE 65 0.874 -7.508 50.593 596 H GLN 66 HN GLN 66 3.729 -3.749 45.264 597 HA GLN 66 HA GLN 66 5.496 -2.487 44.555 598 HB2 GLN 66 HB2 GLN 66 5.988 -2.087 47.518 599 HB3 GLN 66 HB1 GLN 66 6.766 -1.187 46.223 600 HG2 GLN 66 HG2 GLN 66 4.590 -0.339 45.470 601 HG3 GLN 66 HG1 GLN 66 3.778 -1.282 46.721 602 HE21 GLN 66 HE21 GLN 66 3.088 0.228 48.265 603 HE22 GLN 66 HE22 GLN 66 4.077 1.438 48.930 604 H ALA 67 HN ALA 67 5.858 -5.162 44.469 605 HA ALA 67 HA ALA 67 7.420 -6.857 44.438 606 HB1 ALA 67 HB1 ALA 67 9.768 -5.942 43.895 607 HB2 ALA 67 HB2 ALA 67 9.009 -4.354 43.907 608 HB3 ALA 67 HB3 ALA 67 8.470 -5.579 42.757 609 H GLU 68 HN GLU 68 6.720 -6.556 46.965 610 HA GLU 68 HA GLU 68 7.350 -6.551 49.176 611 HB2 GLU 68 HB2 GLU 68 9.089 -8.223 49.664 612 HB3 GLU 68 HB1 GLU 68 7.929 -8.803 48.475 613 HG2 GLU 68 HG2 GLU 68 9.468 -8.354 46.666 614 HG3 GLU 68 HG1 GLU 68 10.601 -7.571 47.757 Start of MODEL 9 1 HA LYS 1 HA LYS 1 -16.528 5.795 -47.730 2 HB2 LYS 1 HB2 LYS 1 -16.408 8.738 -47.015 3 HB3 LYS 1 HB1 LYS 1 -15.278 7.937 -48.109 4 HG2 LYS 1 HG2 LYS 1 -17.175 7.275 -49.563 5 HG3 LYS 1 HG1 LYS 1 -18.285 8.115 -48.479 6 HD2 LYS 1 HD2 LYS 1 -17.096 10.238 -48.905 7 HD3 LYS 1 HD1 LYS 1 -15.993 9.397 -49.996 8 HE2 LYS 1 HE2 LYS 1 -17.894 8.765 -51.438 9 HE3 LYS 1 HE1 LYS 1 -18.998 9.607 -50.350 10 HZ1 LYS 1 HZ1 LYS 1 -17.839 11.667 -50.799 11 HZ2 LYS 1 HZ2 LYS 1 -18.378 10.974 -52.253 12 HZ3 LYS 1 HZ3 LYS 1 -16.741 10.866 -51.815 13 H GLN 2 HN GLN 2 -14.775 4.789 -46.975 14 HA GLN 2 HA GLN 2 -13.373 5.856 -44.624 15 HB2 GLN 2 HB2 GLN 2 -13.259 3.601 -43.629 16 HB3 GLN 2 HB1 GLN 2 -14.920 4.174 -43.746 17 HG2 GLN 2 HG2 GLN 2 -15.209 2.879 -45.835 18 HG3 GLN 2 HG1 GLN 2 -13.557 2.287 -45.688 19 HE21 GLN 2 HE21 GLN 2 -13.414 0.278 -44.707 20 HE22 GLN 2 HE22 GLN 2 -14.531 -0.345 -43.590 21 H GLN 3 HN GLN 3 -11.207 5.026 -44.398 22 HA GLN 3 HA GLN 3 -10.110 3.670 -46.764 23 HB2 GLN 3 HB2 GLN 3 -8.234 5.306 -46.815 24 HB3 GLN 3 HB1 GLN 3 -9.787 6.030 -47.224 25 HG2 GLN 3 HG2 GLN 3 -10.012 6.903 -44.954 26 HG3 GLN 3 HG1 GLN 3 -8.512 6.116 -44.477 27 HE21 GLN 3 HE21 GLN 3 -9.212 9.065 -44.567 28 HE22 GLN 3 HE22 GLN 3 -8.006 9.762 -45.540 29 H GLU 4 HN GLU 4 -7.985 2.764 -46.401 30 HA GLU 4 HA GLU 4 -7.740 1.381 -43.979 31 HB2 GLU 4 HB2 GLU 4 -5.759 1.964 -46.179 32 HB3 GLU 4 HB1 GLU 4 -5.355 0.958 -44.788 33 HG2 GLU 4 HG2 GLU 4 -6.100 -0.547 -46.484 34 HG3 GLU 4 HG1 GLU 4 -7.426 -0.414 -45.336 35 H GLU 5 HN GLU 5 -6.840 4.598 -44.793 36 HA GLU 5 HA GLU 5 -4.692 5.028 -43.023 37 HB2 GLU 5 HB2 GLU 5 -5.461 6.581 -44.849 38 HB3 GLU 5 HB1 GLU 5 -6.819 7.029 -43.819 39 HG2 GLU 5 HG2 GLU 5 -5.248 7.763 -42.066 40 HG3 GLU 5 HG1 GLU 5 -3.897 7.332 -43.105 41 H GLU 6 HN GLU 6 -8.232 5.182 -42.593 42 HA GLU 6 HA GLU 6 -8.195 6.285 -40.018 43 HB2 GLU 6 HB2 GLU 6 -10.148 4.434 -41.397 44 HB3 GLU 6 HB1 GLU 6 -10.448 5.131 -39.804 45 HG2 GLU 6 HG2 GLU 6 -9.830 6.748 -42.293 46 HG3 GLU 6 HG1 GLU 6 -11.454 6.469 -41.667 47 H ALA 7 HN ALA 7 -8.103 2.895 -41.099 48 HA ALA 7 HA ALA 7 -8.171 1.672 -38.605 49 HB1 ALA 7 HB1 ALA 7 -6.718 0.862 -41.141 50 HB2 ALA 7 HB2 ALA 7 -8.330 0.356 -40.633 51 HB3 ALA 7 HB3 ALA 7 -6.909 -0.196 -39.743 52 H GLU 8 HN GLU 8 -5.390 2.978 -40.419 53 HA GLU 8 HA GLU 8 -3.378 2.131 -38.611 54 HB2 GLU 8 HB2 GLU 8 -3.521 4.455 -40.540 55 HB3 GLU 8 HB1 GLU 8 -2.070 4.052 -39.632 56 HG2 GLU 8 HG2 GLU 8 -2.124 1.770 -40.624 57 HG3 GLU 8 HG1 GLU 8 -3.530 2.241 -41.571 58 H ARG 9 HN ARG 9 -5.310 5.093 -38.827 59 HA ARG 9 HA ARG 9 -4.080 6.435 -36.643 60 HB2 ARG 9 HB2 ARG 9 -5.554 7.550 -38.312 61 HB3 ARG 9 HB1 ARG 9 -6.939 6.713 -37.611 62 HG2 ARG 9 HG2 ARG 9 -6.375 7.749 -35.402 63 HG3 ARG 9 HG1 ARG 9 -5.113 8.684 -36.201 64 HD2 ARG 9 HD2 ARG 9 -8.049 8.726 -36.938 65 HD3 ARG 9 HD1 ARG 9 -7.244 9.957 -35.973 66 HE ARG 9 HE ARG 9 -5.757 9.943 -38.222 67 HH11 ARG 9 HH11 ARG 9 -9.210 10.038 -37.730 68 HH12 ARG 9 HH12 ARG 9 -9.506 10.913 -39.192 69 HH21 ARG 9 HH21 ARG 9 -6.179 11.110 -40.100 70 HH22 ARG 9 HH22 ARG 9 -7.808 11.526 -40.511 71 H LEU 10 HN LEU 10 -6.911 4.311 -36.893 72 HA LEU 10 HA LEU 10 -7.755 4.423 -34.241 73 HB2 LEU 10 HB2 LEU 10 -9.073 3.467 -36.168 74 HB3 LEU 10 HB1 LEU 10 -8.034 2.043 -36.083 75 HG LEU 10 HG LEU 10 -8.673 1.925 -33.600 76 HD11 LEU 10 HD11 LEU 10 -10.732 3.899 -34.605 77 HD12 LEU 10 HD12 LEU 10 -9.607 4.105 -33.261 78 HD13 LEU 10 HD13 LEU 10 -10.936 2.953 -33.131 79 HD21 LEU 10 HD21 LEU 10 -10.934 1.545 -35.584 80 HD22 LEU 10 HD22 LEU 10 -10.675 0.658 -34.081 81 HD23 LEU 10 HD23 LEU 10 -9.565 0.442 -35.435 82 H ARG 11 HN ARG 11 -5.306 2.469 -35.833 83 HA ARG 11 HA ARG 11 -4.956 0.508 -33.801 84 HB2 ARG 11 HB2 ARG 11 -4.189 0.345 -36.198 85 HB3 ARG 11 HB1 ARG 11 -2.906 1.487 -35.798 86 HG2 ARG 11 HG2 ARG 11 -2.201 -0.069 -33.952 87 HG3 ARG 11 HG1 ARG 11 -3.366 -1.244 -34.561 88 HD2 ARG 11 HD2 ARG 11 -1.235 -1.804 -35.529 89 HD3 ARG 11 HD1 ARG 11 -2.202 -1.072 -36.808 90 HE ARG 11 HE ARG 11 -0.724 0.707 -36.845 91 HH11 ARG 11 HH11 ARG 11 -0.277 -1.116 -33.908 92 HH12 ARG 11 HH12 ARG 11 1.141 -0.241 -33.442 93 HH21 ARG 11 HH21 ARG 11 1.137 1.823 -36.212 94 HH22 ARG 11 HH22 ARG 11 1.934 1.400 -34.734 95 H ARG 12 HN ARG 12 -3.405 3.633 -34.486 96 HA ARG 12 HA ARG 12 -1.411 3.474 -32.491 97 HB2 ARG 12 HB2 ARG 12 -2.730 5.840 -33.840 98 HB3 ARG 12 HB1 ARG 12 -1.356 5.974 -32.742 99 HG2 ARG 12 HG2 ARG 12 -0.011 4.533 -34.182 100 HG3 ARG 12 HG1 ARG 12 -1.387 4.286 -35.261 101 HD2 ARG 12 HD2 ARG 12 -1.457 6.723 -35.703 102 HD3 ARG 12 HD1 ARG 12 -0.050 6.940 -34.670 103 HE ARG 12 HE ARG 12 0.677 5.072 -36.590 104 HH11 ARG 12 HH11 ARG 12 -0.397 8.387 -36.520 105 HH12 ARG 12 HH12 ARG 12 0.458 8.817 -37.962 106 HH21 ARG 12 HH21 ARG 12 1.779 5.662 -38.467 107 HH22 ARG 12 HH22 ARG 12 1.678 7.285 -39.054 108 H ILE 13 HN ILE 13 -4.734 4.726 -32.492 109 HA ILE 13 HA ILE 13 -4.653 5.942 -29.953 110 HB ILE 13 HB ILE 13 -6.964 4.738 -31.502 111 HG12 ILE 13 HG12 ILE 13 -6.220 7.648 -31.096 112 HG13 ILE 13 HG11 ILE 13 -5.622 6.705 -32.459 113 HG21 ILE 13 HG21 ILE 13 -8.353 6.223 -30.005 114 HG22 ILE 13 HG22 ILE 13 -6.909 6.498 -29.029 115 HG23 ILE 13 HG23 ILE 13 -7.587 4.877 -29.158 116 HD11 ILE 13 HD11 ILE 13 -8.021 6.140 -33.010 117 HD12 ILE 13 HD12 ILE 13 -7.612 7.846 -33.202 118 HD13 ILE 13 HD13 ILE 13 -8.512 7.306 -31.782 119 H GLN 14 HN GLN 14 -5.531 2.608 -30.972 120 HA GLN 14 HA GLN 14 -6.388 1.678 -28.491 121 HB2 GLN 14 HB2 GLN 14 -5.153 0.280 -30.868 122 HB3 GLN 14 HB1 GLN 14 -5.799 -0.579 -29.469 123 HG2 GLN 14 HG2 GLN 14 -7.990 0.556 -29.835 124 HG3 GLN 14 HG1 GLN 14 -7.331 1.301 -31.290 125 HE21 GLN 14 HE21 GLN 14 -8.134 0.180 -33.079 126 HE22 GLN 14 HE22 GLN 14 -8.262 -1.511 -33.183 127 H GLU 15 HN GLU 15 -3.142 1.855 -29.927 128 HA GLU 15 HA GLU 15 -1.805 0.275 -27.998 129 HB2 GLU 15 HB2 GLU 15 -0.906 0.867 -30.246 130 HB3 GLU 15 HB1 GLU 15 -0.696 2.524 -29.689 131 HG2 GLU 15 HG2 GLU 15 0.733 1.660 -27.829 132 HG3 GLU 15 HG1 GLU 15 0.615 0.052 -28.534 133 H GLU 16 HN GLU 16 -2.459 3.764 -28.253 134 HA GLU 16 HA GLU 16 -0.844 4.551 -26.078 135 HB2 GLU 16 HB2 GLU 16 -1.816 6.076 -27.826 136 HB3 GLU 16 HB1 GLU 16 -3.383 5.879 -27.042 137 HG2 GLU 16 HG2 GLU 16 -2.513 6.812 -24.970 138 HG3 GLU 16 HG1 GLU 16 -0.896 6.906 -25.653 139 H MET 17 HN MET 17 -4.280 3.591 -26.277 140 HA MET 17 HA MET 17 -4.978 4.168 -23.638 141 HB2 MET 17 HB2 MET 17 -6.563 3.625 -25.514 142 HB3 MET 17 HB1 MET 17 -6.081 1.936 -25.356 143 HG2 MET 17 HG2 MET 17 -6.803 1.959 -22.988 144 HG3 MET 17 HG1 MET 17 -7.320 3.634 -23.170 145 HE1 MET 17 HE1 MET 17 -8.768 3.718 -26.129 146 HE2 MET 17 HE2 MET 17 -8.908 4.514 -24.562 147 HE3 MET 17 HE3 MET 17 -10.313 3.715 -25.268 148 H GLU 18 HN GLU 18 -3.533 1.277 -25.091 149 HA GLU 18 HA GLU 18 -3.793 -0.434 -22.850 150 HB2 GLU 18 HB2 GLU 18 -3.232 -1.169 -25.172 151 HB3 GLU 18 HB1 GLU 18 -1.634 -0.453 -24.973 152 HG2 GLU 18 HG2 GLU 18 -1.213 -1.927 -23.042 153 HG3 GLU 18 HG1 GLU 18 -2.809 -2.643 -23.240 154 H LYS 19 HN LYS 19 -1.221 1.808 -23.854 155 HA LYS 19 HA LYS 19 0.634 1.144 -21.828 156 HB2 LYS 19 HB2 LYS 19 0.173 3.703 -23.382 157 HB3 LYS 19 HB1 LYS 19 1.541 3.450 -22.298 158 HG2 LYS 19 HG2 LYS 19 2.302 1.553 -23.607 159 HG3 LYS 19 HG1 LYS 19 0.871 1.638 -24.635 160 HD2 LYS 19 HD2 LYS 19 1.551 3.890 -25.388 161 HD3 LYS 19 HD1 LYS 19 2.991 3.794 -24.376 162 HE2 LYS 19 HE2 LYS 19 3.833 1.912 -25.648 163 HE3 LYS 19 HE1 LYS 19 2.338 1.808 -26.572 164 HZ1 LYS 19 HZ1 LYS 19 4.567 3.643 -26.853 165 HZ2 LYS 19 HZ2 LYS 19 3.027 4.347 -27.002 166 HZ3 LYS 19 HZ3 LYS 19 3.476 3.064 -28.017 167 H GLU 20 HN GLU 20 -1.985 3.529 -21.965 168 HA GLU 20 HA GLU 20 -1.505 4.735 -19.455 169 HB2 GLU 20 HB2 GLU 20 -4.004 4.482 -21.132 170 HB3 GLU 20 HB1 GLU 20 -3.950 5.391 -19.622 171 HG2 GLU 20 HG2 GLU 20 -2.113 5.882 -21.980 172 HG3 GLU 20 HG1 GLU 20 -3.560 6.823 -21.633 173 H ARG 21 HN ARG 21 -3.498 1.987 -20.436 174 HA ARG 21 HA ARG 21 -4.731 1.512 -17.945 175 HB2 ARG 21 HB2 ARG 21 -5.452 0.470 -20.089 176 HB3 ARG 21 HB1 ARG 21 -3.995 -0.525 -20.063 177 HG2 ARG 21 HG2 ARG 21 -4.686 -1.473 -17.885 178 HG3 ARG 21 HG1 ARG 21 -6.160 -0.503 -17.937 179 HD2 ARG 21 HD2 ARG 21 -6.754 -1.604 -20.098 180 HD3 ARG 21 HD1 ARG 21 -5.338 -2.636 -19.925 181 HE ARG 21 HE ARG 21 -6.897 -2.850 -17.593 182 HH11 ARG 21 HH11 ARG 21 -7.007 -3.679 -20.974 183 HH12 ARG 21 HH12 ARG 21 -8.027 -5.055 -20.727 184 HH21 ARG 21 HH21 ARG 21 -8.227 -4.647 -17.297 185 HH22 ARG 21 HH22 ARG 21 -8.712 -5.598 -18.657 186 H LYS 22 HN LYS 22 -1.691 0.307 -19.340 187 HA LYS 22 HA LYS 22 -1.007 -1.463 -17.252 188 HB2 LYS 22 HB2 LYS 22 0.710 0.058 -19.226 189 HB3 LYS 22 HB1 LYS 22 1.328 -1.181 -18.136 190 HG2 LYS 22 HG2 LYS 22 -0.961 -1.678 -20.045 191 HG3 LYS 22 HG1 LYS 22 0.721 -1.979 -20.480 192 HD2 LYS 22 HD2 LYS 22 0.829 -3.405 -18.330 193 HD3 LYS 22 HD1 LYS 22 -0.932 -3.324 -18.336 194 HE2 LYS 22 HE2 LYS 22 0.755 -4.318 -20.651 195 HE3 LYS 22 HE1 LYS 22 -0.061 -5.359 -19.486 196 HZ1 LYS 22 HZ1 LYS 22 -2.023 -5.035 -20.465 197 HZ2 LYS 22 HZ2 LYS 22 -1.137 -4.455 -21.793 198 HZ3 LYS 22 HZ3 LYS 22 -1.778 -3.367 -20.660 199 H ARG 23 HN ARG 23 -0.302 1.965 -17.793 200 HA ARG 23 HA ARG 23 1.432 2.334 -15.596 201 HB2 ARG 23 HB2 ARG 23 1.137 3.966 -17.456 202 HB3 ARG 23 HB1 ARG 23 -0.466 4.349 -16.829 203 HG2 ARG 23 HG2 ARG 23 0.535 5.047 -14.685 204 HG3 ARG 23 HG1 ARG 23 2.142 4.679 -15.314 205 HD2 ARG 23 HD2 ARG 23 1.731 6.317 -17.164 206 HD3 ARG 23 HD1 ARG 23 0.205 6.743 -16.397 207 HE ARG 23 HE ARG 23 2.295 7.005 -14.515 208 HH11 ARG 23 HH11 ARG 23 1.061 8.501 -17.411 209 HH12 ARG 23 HH12 ARG 23 1.668 10.068 -17.003 210 HH21 ARG 23 HH21 ARG 23 3.078 9.057 -14.010 211 HH22 ARG 23 HH22 ARG 23 2.804 10.380 -15.090 212 H ARG 24 HN ARG 24 -2.113 2.617 -15.908 213 HA ARG 24 HA ARG 24 -2.585 3.583 -13.298 214 HB2 ARG 24 HB2 ARG 24 -4.299 2.014 -15.229 215 HB3 ARG 24 HB1 ARG 24 -4.899 2.612 -13.683 216 HG2 ARG 24 HG2 ARG 24 -4.297 4.914 -14.339 217 HG3 ARG 24 HG1 ARG 24 -3.704 4.318 -15.890 218 HD2 ARG 24 HD2 ARG 24 -5.969 5.164 -16.183 219 HD3 ARG 24 HD1 ARG 24 -5.986 3.410 -16.360 220 HE ARG 24 HE ARG 24 -7.250 3.271 -14.423 221 HH11 ARG 24 HH11 ARG 24 -5.855 6.454 -14.679 222 HH12 ARG 24 HH12 ARG 24 -6.770 7.089 -13.355 223 HH21 ARG 24 HH21 ARG 24 -8.424 4.128 -12.697 224 HH22 ARG 24 HH22 ARG 24 -8.208 5.784 -12.244 225 H GLU 25 HN GLU 25 -2.422 0.306 -14.650 226 HA GLU 25 HA GLU 25 -3.179 -1.077 -12.314 227 HB2 GLU 25 HB2 GLU 25 -3.018 -2.049 -14.634 228 HB3 GLU 25 HB1 GLU 25 -1.265 -2.045 -14.451 229 HG2 GLU 25 HG2 GLU 25 -1.428 -3.510 -12.502 230 HG3 GLU 25 HG1 GLU 25 -3.188 -3.464 -12.589 231 H GLU 26 HN GLU 26 -0.024 -0.029 -13.531 232 HA GLU 26 HA GLU 26 1.563 -1.223 -11.517 233 HB2 GLU 26 HB2 GLU 26 2.015 1.226 -13.239 234 HB3 GLU 26 HB1 GLU 26 3.237 0.559 -12.157 235 HG2 GLU 26 HG2 GLU 26 3.237 -1.542 -13.345 236 HG3 GLU 26 HG1 GLU 26 1.863 -1.048 -14.323 237 H ASP 27 HN ASP 27 0.030 1.954 -11.760 238 HA ASP 27 HA ASP 27 1.045 3.043 -9.354 239 HB2 ASP 27 HB2 ASP 27 -0.119 4.315 -11.219 240 HB3 ASP 27 HB1 ASP 27 -1.640 3.708 -10.566 241 H GLU 28 HN GLU 28 -1.861 1.169 -10.095 242 HA GLU 28 HA GLU 28 -3.061 1.335 -7.543 243 HB2 GLU 28 HB2 GLU 28 -3.243 -0.713 -9.754 244 HB3 GLU 28 HB1 GLU 28 -4.186 -0.837 -8.268 245 HG2 GLU 28 HG2 GLU 28 -4.200 1.596 -10.074 246 HG3 GLU 28 HG1 GLU 28 -5.402 0.309 -10.154 247 H GLN 29 HN GLN 29 -0.765 -0.987 -8.941 248 HA GLN 29 HA GLN 29 -0.681 -2.761 -6.756 249 HB2 GLN 29 HB2 GLN 29 0.267 -3.192 -9.043 250 HB3 GLN 29 HB1 GLN 29 1.598 -2.110 -8.638 251 HG2 GLN 29 HG2 GLN 29 2.317 -4.373 -8.180 252 HG3 GLN 29 HG1 GLN 29 2.070 -3.556 -6.637 253 HE21 GLN 29 HE21 GLN 29 1.106 -5.001 -5.196 254 HE22 GLN 29 HE22 GLN 29 -0.135 -6.085 -5.601 255 H ARG 30 HN ARG 30 1.210 0.143 -7.506 256 HA ARG 30 HA ARG 30 3.014 -0.020 -5.337 257 HB2 ARG 30 HB2 ARG 30 3.331 1.472 -7.285 258 HB3 ARG 30 HB1 ARG 30 1.958 2.440 -6.754 259 HG2 ARG 30 HG2 ARG 30 3.112 2.960 -4.652 260 HG3 ARG 30 HG1 ARG 30 4.488 1.976 -5.149 261 HD2 ARG 30 HD2 ARG 30 4.913 4.363 -5.576 262 HD3 ARG 30 HD1 ARG 30 4.845 3.464 -7.090 263 HE ARG 30 HE ARG 30 2.918 4.631 -7.645 264 HH11 ARG 30 HH11 ARG 30 3.584 5.049 -4.252 265 HH12 ARG 30 HH12 ARG 30 2.371 6.264 -4.044 266 HH21 ARG 30 HH21 ARG 30 1.332 6.184 -7.347 267 HH22 ARG 30 HH22 ARG 30 1.109 6.911 -5.793 268 H ARG 31 HN ARG 31 -0.161 1.513 -5.691 269 HA ARG 31 HA ARG 31 -0.246 2.758 -3.158 270 HB2 ARG 31 HB2 ARG 31 -2.434 1.766 -4.998 271 HB3 ARG 31 HB1 ARG 31 -2.758 2.657 -3.513 272 HG2 ARG 31 HG2 ARG 31 -0.899 3.714 -5.647 273 HG3 ARG 31 HG1 ARG 31 -2.630 4.041 -5.673 274 HD2 ARG 31 HD2 ARG 31 -0.762 4.696 -3.374 275 HD3 ARG 31 HD1 ARG 31 -1.354 5.854 -4.557 276 HE ARG 31 HE ARG 31 -3.627 4.740 -3.524 277 HH11 ARG 31 HH11 ARG 31 -0.815 6.257 -2.126 278 HH12 ARG 31 HH12 ARG 31 -1.684 6.885 -0.770 279 HH21 ARG 31 HH21 ARG 31 -4.728 5.559 -1.739 280 HH22 ARG 31 HH22 ARG 31 -3.884 6.489 -0.551 281 H ARG 32 HN ARG 32 -1.277 -0.441 -4.259 282 HA ARG 32 HA ARG 32 -2.453 -1.285 -1.824 283 HB2 ARG 32 HB2 ARG 32 -1.165 -2.822 -4.090 284 HB3 ARG 32 HB1 ARG 32 -1.961 -3.608 -2.725 285 HG2 ARG 32 HG2 ARG 32 -4.048 -2.417 -3.232 286 HG3 ARG 32 HG1 ARG 32 -3.265 -1.592 -4.582 287 HD2 ARG 32 HD2 ARG 32 -2.834 -3.782 -5.654 288 HD3 ARG 32 HD1 ARG 32 -3.637 -4.591 -4.310 289 HE ARG 32 HE ARG 32 -4.907 -3.141 -6.469 290 HH11 ARG 32 HH11 ARG 32 -5.243 -4.320 -3.205 291 HH12 ARG 32 HH12 ARG 32 -6.972 -4.346 -3.270 292 HH21 ARG 32 HH21 ARG 32 -7.157 -3.182 -6.519 293 HH22 ARG 32 HH22 ARG 32 -8.044 -3.706 -5.129 294 H LYS 33 HN LYS 33 0.841 -1.584 -3.094 295 HA LYS 33 HA LYS 33 1.920 -3.056 -0.940 296 HB2 LYS 33 HB2 LYS 33 3.210 -1.169 -2.917 297 HB3 LYS 33 HB1 LYS 33 4.128 -2.084 -1.722 298 HG2 LYS 33 HG2 LYS 33 3.151 -4.189 -2.620 299 HG3 LYS 33 HG1 LYS 33 2.309 -3.247 -3.850 300 HD2 LYS 33 HD2 LYS 33 4.440 -2.445 -4.744 301 HD3 LYS 33 HD1 LYS 33 5.317 -3.307 -3.480 302 HE2 LYS 33 HE2 LYS 33 4.414 -5.451 -4.322 303 HE3 LYS 33 HE1 LYS 33 3.564 -4.585 -5.600 304 HZ1 LYS 33 HZ1 LYS 33 6.506 -4.582 -5.191 305 HZ2 LYS 33 HZ2 LYS 33 5.670 -3.798 -6.445 306 HZ3 LYS 33 HZ3 LYS 33 5.683 -5.494 -6.360 307 H GLU 34 HN GLU 34 1.659 0.416 -1.528 308 HA GLU 34 HA GLU 34 3.111 1.305 0.716 309 HB2 GLU 34 HB2 GLU 34 2.370 2.723 -1.231 310 HB3 GLU 34 HB1 GLU 34 0.739 2.683 -0.566 311 HG2 GLU 34 HG2 GLU 34 1.577 3.692 1.530 312 HG3 GLU 34 HG1 GLU 34 3.195 3.755 0.843 313 H GLU 35 HN GLU 35 -0.333 0.547 0.298 314 HA GLU 35 HA GLU 35 -1.193 1.353 2.868 315 HB2 GLU 35 HB2 GLU 35 -2.307 -0.645 0.897 316 HB3 GLU 35 HB1 GLU 35 -3.117 -0.232 2.405 317 HG2 GLU 35 HG2 GLU 35 -3.184 2.133 1.736 318 HG3 GLU 35 HG1 GLU 35 -2.342 1.740 0.238 319 H GLU 36 HN GLU 36 -0.021 -1.697 1.601 320 HA GLU 36 HA GLU 36 -0.470 -3.271 3.933 321 HB2 GLU 36 HB2 GLU 36 1.507 -3.593 1.666 322 HB3 GLU 36 HB1 GLU 36 1.289 -4.783 2.948 323 HG2 GLU 36 HG2 GLU 36 -1.049 -5.070 2.345 324 HG3 GLU 36 HG1 GLU 36 -0.934 -3.785 1.150 325 H GLU 37 HN GLU 37 2.329 -1.422 2.784 326 HA GLU 37 HA GLU 37 4.098 -2.113 4.867 327 HB2 GLU 37 HB2 GLU 37 3.931 0.336 3.103 328 HB3 GLU 37 HB1 GLU 37 5.248 0.054 4.241 329 HG2 GLU 37 HG2 GLU 37 5.823 -2.029 3.111 330 HG3 GLU 37 HG1 GLU 37 4.451 -1.853 2.024 331 H ARG 38 HN ARG 38 1.765 0.542 4.529 332 HA ARG 38 HA ARG 38 2.434 1.893 6.921 333 HB2 ARG 38 HB2 ARG 38 -0.125 1.736 5.320 334 HB3 ARG 38 HB1 ARG 38 0.060 2.788 6.725 335 HG2 ARG 38 HG2 ARG 38 1.965 3.906 5.666 336 HG3 ARG 38 HG1 ARG 38 1.846 2.837 4.268 337 HD2 ARG 38 HD2 ARG 38 -0.466 3.676 3.868 338 HD3 ARG 38 HD1 ARG 38 -0.278 4.773 5.231 339 HE ARG 38 HE ARG 38 1.775 5.072 3.229 340 HH11 ARG 38 HH11 ARG 38 -1.452 5.990 4.171 341 HH12 ARG 38 HH12 ARG 38 -1.424 7.463 3.262 342 HH21 ARG 38 HH21 ARG 38 1.769 6.977 2.031 343 HH22 ARG 38 HH22 ARG 38 0.391 8.021 2.067 344 H ARG 39 HN ARG 39 0.015 -0.671 6.226 345 HA ARG 39 HA ARG 39 -1.069 -0.812 8.784 346 HB2 ARG 39 HB2 ARG 39 -0.704 -2.915 6.638 347 HB3 ARG 39 HB1 ARG 39 -1.642 -3.186 8.105 348 HG2 ARG 39 HG2 ARG 39 -2.172 -0.875 6.230 349 HG3 ARG 39 HG1 ARG 39 -2.972 -2.435 6.057 350 HD2 ARG 39 HD2 ARG 39 -3.806 -2.224 8.397 351 HD3 ARG 39 HD1 ARG 39 -3.065 -0.628 8.495 352 HE ARG 39 HE ARG 39 -5.486 -1.328 7.075 353 HH11 ARG 39 HH11 ARG 39 -2.859 0.950 7.351 354 HH12 ARG 39 HH12 ARG 39 -3.757 2.246 6.638 355 HH21 ARG 39 HH21 ARG 39 -6.620 0.377 6.145 356 HH22 ARG 39 HH22 ARG 39 -5.866 1.922 5.957 357 H MET 40 HN MET 40 1.754 -2.465 7.385 358 HA MET 40 HA MET 40 2.301 -4.160 9.560 359 HB2 MET 40 HB2 MET 40 3.345 -4.350 7.302 360 HB3 MET 40 HB1 MET 40 4.274 -2.892 7.641 361 HG2 MET 40 HG2 MET 40 5.385 -3.963 9.513 362 HG3 MET 40 HG1 MET 40 4.372 -5.397 9.342 363 HE1 MET 40 HE1 MET 40 7.750 -3.914 6.649 364 HE2 MET 40 HE2 MET 40 6.990 -3.114 8.023 365 HE3 MET 40 HE3 MET 40 6.156 -3.173 6.471 366 H LYS 41 HN LYS 41 3.339 -0.833 8.845 367 HA LYS 41 HA LYS 41 5.100 -0.533 11.038 368 HB2 LYS 41 HB2 LYS 41 4.984 1.012 9.087 369 HB3 LYS 41 HB1 LYS 41 3.429 1.597 9.678 370 HG2 LYS 41 HG2 LYS 41 4.482 2.332 11.773 371 HG3 LYS 41 HG1 LYS 41 6.038 1.723 11.217 372 HD2 LYS 41 HD2 LYS 41 4.468 3.783 9.661 373 HD3 LYS 41 HD1 LYS 41 5.623 4.234 10.914 374 HE2 LYS 41 HE2 LYS 41 7.352 2.852 9.691 375 HE3 LYS 41 HE1 LYS 41 6.187 2.672 8.380 376 HZ1 LYS 41 HZ1 LYS 41 7.379 5.187 9.402 377 HZ2 LYS 41 HZ2 LYS 41 6.058 5.150 8.333 378 HZ3 LYS 41 HZ3 LYS 41 7.559 4.512 7.856 379 H LEU 42 HN LEU 42 1.637 0.077 10.653 380 HA LEU 42 HA LEU 42 1.232 1.214 13.220 381 HB2 LEU 42 HB2 LEU 42 -0.495 0.099 11.084 382 HB3 LEU 42 HB1 LEU 42 -1.190 0.131 12.700 383 HG LEU 42 HG LEU 42 -1.646 2.181 11.303 384 HD11 LEU 42 HD11 LEU 42 -0.029 2.808 13.774 385 HD12 LEU 42 HD12 LEU 42 -1.601 2.021 13.863 386 HD13 LEU 42 HD13 LEU 42 -1.465 3.637 13.174 387 HD21 LEU 42 HD21 LEU 42 0.749 2.195 10.360 388 HD22 LEU 42 HD22 LEU 42 1.227 2.907 11.896 389 HD23 LEU 42 HD23 LEU 42 0.090 3.758 10.848 390 H GLU 43 HN GLU 43 1.020 -2.109 12.040 391 HA GLU 43 HA GLU 43 0.129 -3.289 14.443 392 HB2 GLU 43 HB2 GLU 43 0.124 -4.431 12.243 393 HB3 GLU 43 HB1 GLU 43 1.886 -4.507 12.295 394 HG2 GLU 43 HG2 GLU 43 1.010 -6.627 13.088 395 HG3 GLU 43 HG1 GLU 43 1.715 -5.763 14.449 396 H MET 44 HN MET 44 3.360 -2.615 13.176 397 HA MET 44 HA MET 44 4.834 -3.898 15.212 398 HB2 MET 44 HB2 MET 44 5.509 -1.598 13.371 399 HB3 MET 44 HB1 MET 44 6.668 -2.261 14.523 400 HG2 MET 44 HG2 MET 44 6.485 -4.468 13.510 401 HG3 MET 44 HG1 MET 44 5.220 -3.899 12.420 402 HE1 MET 44 HE1 MET 44 9.685 -3.213 12.416 403 HE2 MET 44 HE2 MET 44 8.625 -3.767 13.710 404 HE3 MET 44 HE3 MET 44 8.806 -2.040 13.405 405 H GLU 45 HN GLU 45 3.631 -0.580 14.924 406 HA GLU 45 HA GLU 45 4.780 0.460 17.279 407 HB2 GLU 45 HB2 GLU 45 2.281 1.226 15.758 408 HB3 GLU 45 HB1 GLU 45 2.901 2.147 17.127 409 HG2 GLU 45 HG2 GLU 45 5.007 2.530 15.962 410 HG3 GLU 45 HG1 GLU 45 4.485 1.513 14.625 411 H ALA 46 HN ALA 46 1.703 -1.159 16.662 412 HA ALA 46 HA ALA 46 0.573 -0.839 19.232 413 HB1 ALA 46 HB1 ALA 46 -0.887 -2.726 18.615 414 HB2 ALA 46 HB2 ALA 46 0.156 -3.084 17.239 415 HB3 ALA 46 HB3 ALA 46 -0.749 -1.570 17.290 416 H LYS 47 HN LYS 47 2.600 -3.393 17.834 417 HA LYS 47 HA LYS 47 2.589 -5.137 20.027 418 HB2 LYS 47 HB2 LYS 47 3.504 -5.686 17.765 419 HB3 LYS 47 HB1 LYS 47 4.887 -4.646 18.111 420 HG2 LYS 47 HG2 LYS 47 5.489 -6.036 20.032 421 HG3 LYS 47 HG1 LYS 47 4.072 -7.053 19.769 422 HD2 LYS 47 HD2 LYS 47 4.951 -7.680 17.538 423 HD3 LYS 47 HD1 LYS 47 6.376 -6.679 17.828 424 HE2 LYS 47 HE2 LYS 47 6.892 -9.015 18.351 425 HE3 LYS 47 HE1 LYS 47 6.911 -8.053 19.827 426 HZ1 LYS 47 HZ1 LYS 47 4.380 -9.289 19.052 427 HZ2 LYS 47 HZ2 LYS 47 5.025 -9.007 20.597 428 HZ3 LYS 47 HZ3 LYS 47 5.590 -10.309 19.664 429 H ARG 48 HN ARG 48 4.738 -2.394 19.266 430 HA ARG 48 HA ARG 48 6.468 -2.668 21.470 431 HB2 ARG 48 HB2 ARG 48 6.913 -1.219 19.502 432 HB3 ARG 48 HB1 ARG 48 5.643 -0.122 20.048 433 HG2 ARG 48 HG2 ARG 48 6.861 0.194 22.189 434 HG3 ARG 48 HG1 ARG 48 8.151 -0.852 21.590 435 HD2 ARG 48 HD2 ARG 48 8.467 0.694 19.664 436 HD3 ARG 48 HD1 ARG 48 7.244 1.759 20.347 437 HE ARG 48 HE ARG 48 9.234 1.281 22.288 438 HH11 ARG 48 HH11 ARG 48 8.772 2.921 19.251 439 HH12 ARG 48 HH12 ARG 48 9.964 4.129 19.584 440 HH21 ARG 48 HH21 ARG 48 10.780 2.868 22.702 441 HH22 ARG 48 HH22 ARG 48 11.094 4.098 21.527 442 H LYS 49 HN LYS 49 3.443 -0.907 21.040 443 HA LYS 49 HA LYS 49 3.409 0.416 23.537 444 HB2 LYS 49 HB2 LYS 49 1.871 0.953 21.651 445 HB3 LYS 49 HB1 LYS 49 1.023 -0.564 21.944 446 HG2 LYS 49 HG2 LYS 49 0.490 0.174 24.239 447 HG3 LYS 49 HG1 LYS 49 1.331 1.695 23.942 448 HD2 LYS 49 HD2 LYS 49 -0.248 2.245 22.146 449 HD3 LYS 49 HD1 LYS 49 -1.071 0.702 22.378 450 HE2 LYS 49 HE2 LYS 49 -2.301 2.466 23.544 451 HE3 LYS 49 HE1 LYS 49 -1.594 1.356 24.717 452 HZ1 LYS 49 HZ1 LYS 49 -0.070 3.728 23.887 453 HZ2 LYS 49 HZ2 LYS 49 -0.025 2.874 25.355 454 HZ3 LYS 49 HZ3 LYS 49 -1.328 3.910 25.013 455 H GLN 50 HN GLN 50 2.130 -2.741 22.530 456 HA GLN 50 HA GLN 50 0.966 -3.444 25.008 457 HB2 GLN 50 HB2 GLN 50 0.541 -4.612 22.829 458 HB3 GLN 50 HB1 GLN 50 2.142 -5.339 22.965 459 HG2 GLN 50 HG2 GLN 50 0.499 -6.905 23.837 460 HG3 GLN 50 HG1 GLN 50 1.470 -6.295 25.174 461 HE21 GLN 50 HE21 GLN 50 0.232 -5.689 26.949 462 HE22 GLN 50 HE22 GLN 50 -1.357 -5.100 26.873 463 H GLU 51 HN GLU 51 4.193 -4.005 23.653 464 HA GLU 51 HA GLU 51 5.226 -5.571 25.740 465 HB2 GLU 51 HB2 GLU 51 6.572 -3.702 23.780 466 HB3 GLU 51 HB1 GLU 51 7.462 -4.719 24.912 467 HG2 GLU 51 HG2 GLU 51 6.538 -6.722 23.952 468 HG3 GLU 51 HG1 GLU 51 5.423 -5.798 22.953 469 H GLU 52 HN GLU 52 5.118 -2.061 25.266 470 HA GLU 52 HA GLU 52 6.717 -1.312 27.451 471 HB2 GLU 52 HB2 GLU 52 5.913 0.177 25.556 472 HB3 GLU 52 HB1 GLU 52 4.358 0.251 26.388 473 HG2 GLU 52 HG2 GLU 52 5.650 2.166 27.092 474 HG3 GLU 52 HG1 GLU 52 5.581 1.036 28.442 475 H GLU 53 HN GLU 53 3.258 -1.949 27.184 476 HA GLU 53 HA GLU 53 2.494 -1.117 29.781 477 HB2 GLU 53 HB2 GLU 53 0.913 -1.577 27.890 478 HB3 GLU 53 HB1 GLU 53 1.217 -3.299 28.115 479 HG2 GLU 53 HG2 GLU 53 0.405 -3.152 30.429 480 HG3 GLU 53 HG1 GLU 53 0.126 -1.426 30.233 481 H GLU 54 HN GLU 54 3.528 -4.265 28.500 482 HA GLU 54 HA GLU 54 3.179 -5.762 30.857 483 HB2 GLU 54 HB2 GLU 54 5.077 -6.117 28.528 484 HB3 GLU 54 HB1 GLU 54 4.891 -7.301 29.822 485 HG2 GLU 54 HG2 GLU 54 2.483 -7.479 29.315 486 HG3 GLU 54 HG1 GLU 54 2.669 -6.297 28.020 487 H ARG 55 HN ARG 55 5.918 -3.882 29.633 488 HA ARG 55 HA ARG 55 7.804 -4.638 31.587 489 HB2 ARG 55 HB2 ARG 55 8.355 -3.402 29.491 490 HB3 ARG 55 HB1 ARG 55 7.577 -1.970 30.164 491 HG2 ARG 55 HG2 ARG 55 9.159 -2.002 32.056 492 HG3 ARG 55 HG1 ARG 55 9.959 -3.416 31.370 493 HD2 ARG 55 HD2 ARG 55 11.234 -1.471 30.723 494 HD3 ARG 55 HD1 ARG 55 10.384 -2.045 29.289 495 HE ARG 55 HE ARG 55 9.120 -0.094 29.311 496 HH11 ARG 55 HH11 ARG 55 10.780 -0.464 32.356 497 HH12 ARG 55 HH12 ARG 55 10.344 1.110 32.917 498 HH21 ARG 55 HH21 ARG 55 8.595 1.962 30.060 499 HH22 ARG 55 HH22 ARG 55 9.134 2.480 31.622 500 H LYS 56 HN LYS 56 5.442 -1.998 31.517 501 HA LYS 56 HA LYS 56 6.175 -0.769 33.952 502 HB2 LYS 56 HB2 LYS 56 4.677 0.282 32.272 503 HB3 LYS 56 HB1 LYS 56 3.424 -0.885 32.681 504 HG2 LYS 56 HG2 LYS 56 2.900 1.051 33.956 505 HG3 LYS 56 HG1 LYS 56 3.660 -0.053 35.097 506 HD2 LYS 56 HD2 LYS 56 5.852 1.111 34.654 507 HD3 LYS 56 HD1 LYS 56 4.962 2.303 33.708 508 HE2 LYS 56 HE2 LYS 56 4.424 1.635 36.616 509 HE3 LYS 56 HE1 LYS 56 5.318 3.047 36.052 510 HZ1 LYS 56 HZ1 LYS 56 3.223 3.910 36.234 511 HZ2 LYS 56 HZ2 LYS 56 2.457 2.446 35.842 512 HZ3 LYS 56 HZ3 LYS 56 3.175 3.382 34.621 513 H LYS 57 HN LYS 57 3.899 -3.357 33.191 514 HA LYS 57 HA LYS 57 2.815 -3.661 35.797 515 HB2 LYS 57 HB2 LYS 57 1.819 -4.625 33.716 516 HB3 LYS 57 HB1 LYS 57 3.142 -5.791 33.670 517 HG2 LYS 57 HG2 LYS 57 2.489 -6.642 35.883 518 HG3 LYS 57 HG1 LYS 57 1.181 -5.462 35.959 519 HD2 LYS 57 HD2 LYS 57 0.164 -6.463 33.938 520 HD3 LYS 57 HD1 LYS 57 1.462 -7.657 33.886 521 HE2 LYS 57 HE2 LYS 57 0.806 -8.479 36.118 522 HE3 LYS 57 HE1 LYS 57 -0.490 -7.283 36.178 523 HZ1 LYS 57 HZ1 LYS 57 -1.510 -8.292 34.266 524 HZ2 LYS 57 HZ2 LYS 57 -1.260 -9.481 35.453 525 HZ3 LYS 57 HZ3 LYS 57 -0.230 -9.395 34.106 526 H ARG 58 HN ARG 58 5.542 -5.196 34.135 527 HA ARG 58 HA ARG 58 6.241 -7.010 36.179 528 HB2 ARG 58 HB2 ARG 58 7.889 -5.736 33.989 529 HB3 ARG 58 HB1 ARG 58 8.509 -6.983 35.071 530 HG2 ARG 58 HG2 ARG 58 6.730 -8.514 34.360 531 HG3 ARG 58 HG1 ARG 58 6.064 -7.276 33.297 532 HD2 ARG 58 HD2 ARG 58 7.435 -8.760 31.956 533 HD3 ARG 58 HD1 ARG 58 8.275 -7.217 32.099 534 HE ARG 58 HE ARG 58 9.921 -8.274 33.342 535 HH11 ARG 58 HH11 ARG 58 7.110 -10.325 33.129 536 HH12 ARG 58 HH12 ARG 58 7.910 -11.691 33.827 537 HH21 ARG 58 HH21 ARG 58 10.933 -10.076 34.252 538 HH22 ARG 58 HH22 ARG 58 10.051 -11.550 34.457 539 H GLU 59 HN GLU 59 7.255 -3.685 35.508 540 HA GLU 59 HA GLU 59 9.239 -3.498 37.501 541 HB2 GLU 59 HB2 GLU 59 7.530 -1.418 36.139 542 HB3 GLU 59 HB1 GLU 59 8.765 -1.002 37.325 543 HG2 GLU 59 HG2 GLU 59 10.464 -2.162 35.956 544 HG3 GLU 59 HG1 GLU 59 9.228 -2.559 34.763 545 H ASP 60 HN ASP 60 5.768 -2.842 37.561 546 HA ASP 60 HA ASP 60 5.638 -1.698 40.139 547 HB2 ASP 60 HB2 ASP 60 3.598 -3.161 38.467 548 HB3 ASP 60 HB1 ASP 60 3.220 -2.434 40.025 549 H ASP 61 HN ASP 61 5.370 -5.092 39.023 550 HA ASP 61 HA ASP 61 4.639 -6.234 41.469 551 HB2 ASP 61 HB2 ASP 61 4.555 -7.319 39.187 552 HB3 ASP 61 HB1 ASP 61 6.303 -7.519 39.305 553 H GLU 62 HN GLU 62 7.839 -5.474 40.072 554 HA GLU 62 HA GLU 62 9.390 -6.850 41.989 555 HB2 GLU 62 HB2 GLU 62 10.154 -6.128 39.714 556 HB3 GLU 62 HB1 GLU 62 10.171 -4.469 40.311 557 HG2 GLU 62 HG2 GLU 62 11.791 -5.065 42.033 558 HG3 GLU 62 HG1 GLU 62 11.719 -6.755 41.552 559 H LYS 63 HN LYS 63 8.229 -3.504 41.731 560 HA LYS 63 HA LYS 63 9.747 -2.415 43.816 561 HB2 LYS 63 HB2 LYS 63 7.039 -1.654 42.704 562 HB3 LYS 63 HB1 LYS 63 7.904 -0.689 43.893 563 HG2 LYS 63 HG2 LYS 63 9.808 -0.469 42.359 564 HG3 LYS 63 HG1 LYS 63 8.981 -1.469 41.167 565 HD2 LYS 63 HD2 LYS 63 7.152 0.187 41.048 566 HD3 LYS 63 HD1 LYS 63 7.987 1.192 42.232 567 HE2 LYS 63 HE2 LYS 63 9.914 1.398 40.698 568 HE3 LYS 63 HE1 LYS 63 9.074 0.397 39.514 569 HZ1 LYS 63 HZ1 LYS 63 7.225 2.104 39.685 570 HZ2 LYS 63 HZ2 LYS 63 8.638 2.581 38.870 571 HZ3 LYS 63 HZ3 LYS 63 8.356 3.105 40.462 572 H ARG 64 HN ARG 64 6.520 -4.019 43.859 573 HA ARG 64 HA ARG 64 6.204 -3.533 46.678 574 HB2 ARG 64 HB2 ARG 64 4.746 -5.174 44.609 575 HB3 ARG 64 HB1 ARG 64 4.271 -5.141 46.310 576 HG2 ARG 64 HG2 ARG 64 3.777 -2.825 46.251 577 HG3 ARG 64 HG1 ARG 64 4.634 -2.591 44.728 578 HD2 ARG 64 HD2 ARG 64 2.216 -2.589 44.340 579 HD3 ARG 64 HD1 ARG 64 2.970 -3.978 43.567 580 HE ARG 64 HE ARG 64 2.101 -4.760 46.123 581 HH11 ARG 64 HH11 ARG 64 0.810 -3.779 43.037 582 HH12 ARG 64 HH12 ARG 64 -0.648 -4.691 43.226 583 HH21 ARG 64 HH21 ARG 64 0.198 -5.946 46.334 584 HH22 ARG 64 HH22 ARG 64 -0.993 -5.904 45.083 585 H ILE 65 HN ILE 65 8.387 -5.420 45.166 586 HA ILE 65 HA ILE 65 9.466 -7.372 45.600 587 HB ILE 65 HB ILE 65 8.636 -6.783 48.440 588 HG12 ILE 65 HG12 ILE 65 9.481 -4.741 47.394 589 HG13 ILE 65 HG11 ILE 65 10.633 -5.358 48.572 590 HG21 ILE 65 HG21 ILE 65 9.795 -8.829 48.449 591 HG22 ILE 65 HG22 ILE 65 11.069 -7.658 48.759 592 HG23 ILE 65 HG23 ILE 65 10.867 -8.327 47.142 593 HD11 ILE 65 HD11 ILE 65 11.329 -6.528 46.078 594 HD12 ILE 65 HD12 ILE 65 12.215 -5.291 46.973 595 HD13 ILE 65 HD13 ILE 65 11.013 -4.821 45.768 596 H GLN 66 HN GLN 66 6.732 -7.713 44.835 597 HA GLN 66 HA GLN 66 4.960 -9.199 44.963 598 HB2 GLN 66 HB2 GLN 66 7.371 -10.977 45.370 599 HB3 GLN 66 HB1 GLN 66 5.763 -11.566 44.955 600 HG2 GLN 66 HG2 GLN 66 5.792 -10.216 42.893 601 HG3 GLN 66 HG1 GLN 66 7.390 -9.604 43.312 602 HE21 GLN 66 HE21 GLN 66 6.486 -11.354 40.986 603 HE22 GLN 66 HE22 GLN 66 7.494 -12.719 41.062 604 H ALA 67 HN ALA 67 5.685 -7.920 47.499 605 HA ALA 67 HA ALA 67 5.675 -9.746 49.645 606 HB1 ALA 67 HB1 ALA 67 4.366 -7.082 49.971 607 HB2 ALA 67 HB2 ALA 67 6.081 -7.120 49.560 608 HB3 ALA 67 HB3 ALA 67 5.507 -7.915 51.026 609 H GLU 68 HN GLU 68 3.081 -8.190 47.835 610 HA GLU 68 HA GLU 68 1.219 -10.251 48.463 611 HB2 GLU 68 HB2 GLU 68 1.206 -9.022 50.621 612 HB3 GLU 68 HB1 GLU 68 0.703 -7.565 49.763 613 HG2 GLU 68 HG2 GLU 68 -1.281 -8.624 50.656 614 HG3 GLU 68 HG1 GLU 68 -1.285 -8.840 48.909 Start of MODEL 10 1 HA LYS 1 HA LYS 1 -3.675 6.767 -50.213 2 HB2 LYS 1 HB2 LYS 1 -6.117 6.372 -48.457 3 HB3 LYS 1 HB1 LYS 1 -5.781 7.811 -49.419 4 HG2 LYS 1 HG2 LYS 1 -5.943 6.579 -51.475 5 HG3 LYS 1 HG1 LYS 1 -5.986 5.041 -50.619 6 HD2 LYS 1 HD2 LYS 1 -8.093 7.159 -50.171 7 HD3 LYS 1 HD1 LYS 1 -8.233 5.976 -51.471 8 HE2 LYS 1 HE2 LYS 1 -7.895 5.309 -48.530 9 HE3 LYS 1 HE1 LYS 1 -9.410 5.219 -49.425 10 HZ1 LYS 1 HZ1 LYS 1 -8.573 3.064 -49.473 11 HZ2 LYS 1 HZ2 LYS 1 -6.979 3.576 -49.733 12 HZ3 LYS 1 HZ3 LYS 1 -8.121 3.686 -50.990 13 H GLN 2 HN GLN 2 -3.691 8.885 -48.953 14 HA GLN 2 HA GLN 2 -1.818 8.760 -46.839 15 HB2 GLN 2 HB2 GLN 2 -2.165 10.704 -48.406 16 HB3 GLN 2 HB1 GLN 2 -3.636 11.082 -47.511 17 HG2 GLN 2 HG2 GLN 2 -2.373 11.390 -45.461 18 HG3 GLN 2 HG1 GLN 2 -0.891 10.861 -46.254 19 HE21 GLN 2 HE21 GLN 2 -1.289 13.486 -44.994 20 HE22 GLN 2 HE22 GLN 2 -1.126 14.644 -46.224 21 H GLN 3 HN GLN 3 -5.328 9.179 -46.900 22 HA GLN 3 HA GLN 3 -5.684 9.761 -44.162 23 HB2 GLN 3 HB2 GLN 3 -7.537 8.475 -46.179 24 HB3 GLN 3 HB1 GLN 3 -8.029 8.955 -44.557 25 HG2 GLN 3 HG2 GLN 3 -6.778 10.847 -46.563 26 HG3 GLN 3 HG1 GLN 3 -8.515 10.684 -46.325 27 HE21 GLN 3 HE21 GLN 3 -8.992 10.728 -43.702 28 HE22 GLN 3 HE22 GLN 3 -8.277 12.057 -42.925 29 H GLU 4 HN GLU 4 -5.616 6.699 -45.939 30 HA GLU 4 HA GLU 4 -6.309 5.023 -43.762 31 HB2 GLU 4 HB2 GLU 4 -4.758 4.485 -46.305 32 HB3 GLU 4 HB1 GLU 4 -5.243 3.229 -45.167 33 HG2 GLU 4 HG2 GLU 4 -7.590 3.792 -45.470 34 HG3 GLU 4 HG1 GLU 4 -7.165 5.156 -46.501 35 H GLU 5 HN GLU 5 -3.206 6.194 -45.005 36 HA GLU 5 HA GLU 5 -1.538 4.643 -43.336 37 HB2 GLU 5 HB2 GLU 5 -0.777 5.896 -45.349 38 HB3 GLU 5 HB1 GLU 5 -0.970 7.400 -44.451 39 HG2 GLU 5 HG2 GLU 5 1.351 6.728 -44.296 40 HG3 GLU 5 HG1 GLU 5 0.605 6.490 -42.720 41 H GLU 6 HN GLU 6 -2.974 7.888 -42.943 42 HA GLU 6 HA GLU 6 -1.713 8.504 -40.514 43 HB2 GLU 6 HB2 GLU 6 -3.025 10.079 -41.978 44 HB3 GLU 6 HB1 GLU 6 -4.499 9.331 -41.361 45 HG2 GLU 6 HG2 GLU 6 -3.884 9.954 -39.069 46 HG3 GLU 6 HG1 GLU 6 -2.375 10.653 -39.651 47 H ALA 7 HN ALA 7 -4.785 6.862 -41.193 48 HA ALA 7 HA ALA 7 -5.663 6.536 -38.577 49 HB1 ALA 7 HB1 ALA 7 -7.029 5.979 -40.561 50 HB2 ALA 7 HB2 ALA 7 -6.975 4.627 -39.429 51 HB3 ALA 7 HB3 ALA 7 -5.990 4.595 -40.887 52 H GLU 8 HN GLU 8 -3.438 4.506 -40.482 53 HA GLU 8 HA GLU 8 -3.116 2.432 -38.582 54 HB2 GLU 8 HB2 GLU 8 -1.326 3.517 -40.766 55 HB3 GLU 8 HB1 GLU 8 -0.904 2.106 -39.802 56 HG2 GLU 8 HG2 GLU 8 -3.479 2.367 -41.371 57 HG3 GLU 8 HG1 GLU 8 -2.042 1.548 -41.974 58 H ARG 9 HN ARG 9 -1.382 5.481 -39.119 59 HA ARG 9 HA ARG 9 0.541 5.103 -37.056 60 HB2 ARG 9 HB2 ARG 9 -0.535 7.575 -38.421 61 HB3 ARG 9 HB1 ARG 9 0.698 7.652 -37.159 62 HG2 ARG 9 HG2 ARG 9 2.193 6.250 -38.440 63 HG3 ARG 9 HG1 ARG 9 0.950 5.948 -39.655 64 HD2 ARG 9 HD2 ARG 9 1.952 8.723 -38.994 65 HD3 ARG 9 HD1 ARG 9 2.687 7.729 -40.247 66 HE ARG 9 HE ARG 9 0.017 7.725 -40.858 67 HH11 ARG 9 HH11 ARG 9 2.416 10.188 -40.312 68 HH12 ARG 9 HH12 ARG 9 1.672 11.323 -41.385 69 HH21 ARG 9 HH21 ARG 9 -0.928 9.223 -42.269 70 HH22 ARG 9 HH22 ARG 9 -0.209 10.782 -42.478 71 H LEU 10 HN LEU 10 -2.645 6.656 -37.129 72 HA LEU 10 HA LEU 10 -2.685 7.618 -34.510 73 HB2 LEU 10 HB2 LEU 10 -4.309 8.271 -36.298 74 HB3 LEU 10 HB1 LEU 10 -5.058 6.686 -36.140 75 HG LEU 10 HG LEU 10 -5.359 7.198 -33.672 76 HD11 LEU 10 HD11 LEU 10 -5.400 9.703 -33.182 77 HD12 LEU 10 HD12 LEU 10 -4.455 9.907 -34.658 78 HD13 LEU 10 HD13 LEU 10 -3.803 8.965 -33.316 79 HD21 LEU 10 HD21 LEU 10 -7.128 7.431 -35.490 80 HD22 LEU 10 HD22 LEU 10 -6.770 9.160 -35.492 81 HD23 LEU 10 HD23 LEU 10 -7.397 8.391 -34.034 82 H ARG 11 HN ARG 11 -3.435 4.463 -35.859 83 HA ARG 11 HA ARG 11 -4.799 3.382 -33.606 84 HB2 ARG 11 HB2 ARG 11 -3.389 2.174 -35.982 85 HB3 ARG 11 HB1 ARG 11 -4.119 1.180 -34.724 86 HG2 ARG 11 HG2 ARG 11 -5.684 3.371 -36.093 87 HG3 ARG 11 HG1 ARG 11 -5.573 1.755 -36.786 88 HD2 ARG 11 HD2 ARG 11 -6.572 2.393 -33.993 89 HD3 ARG 11 HD1 ARG 11 -7.590 2.005 -35.377 90 HE ARG 11 HE ARG 11 -6.048 0.148 -33.799 91 HH11 ARG 11 HH11 ARG 11 -7.460 0.752 -36.921 92 HH12 ARG 11 HH12 ARG 11 -7.576 -0.925 -37.328 93 HH21 ARG 11 HH21 ARG 11 -6.200 -2.033 -34.355 94 HH22 ARG 11 HH22 ARG 11 -6.867 -2.490 -35.883 95 H ARG 12 HN ARG 12 -1.406 3.380 -34.644 96 HA ARG 12 HA ARG 12 -0.445 1.631 -32.642 97 HB2 ARG 12 HB2 ARG 12 0.925 3.815 -34.229 98 HB3 ARG 12 HB1 ARG 12 1.768 2.685 -33.168 99 HG2 ARG 12 HG2 ARG 12 0.917 0.788 -34.469 100 HG3 ARG 12 HG1 ARG 12 0.027 1.889 -35.522 101 HD2 ARG 12 HD2 ARG 12 2.177 2.965 -36.165 102 HD3 ARG 12 HD1 ARG 12 3.037 1.798 -35.163 103 HE ARG 12 HE ARG 12 1.838 1.306 -37.752 104 HH11 ARG 12 HH11 ARG 12 2.953 -0.121 -34.776 105 HH12 ARG 12 HH12 ARG 12 3.217 -1.677 -35.486 106 HH21 ARG 12 HH21 ARG 12 2.191 -0.729 -38.647 107 HH22 ARG 12 HH22 ARG 12 2.786 -2.018 -37.658 108 H ILE 13 HN ILE 13 -0.836 5.156 -32.787 109 HA ILE 13 HA ILE 13 0.527 5.754 -30.392 110 HB ILE 13 HB ILE 13 -1.728 7.211 -31.798 111 HG12 ILE 13 HG12 ILE 13 1.234 7.845 -31.729 112 HG13 ILE 13 HG11 ILE 13 0.516 6.831 -32.979 113 HG21 ILE 13 HG21 ILE 13 0.129 8.081 -29.558 114 HG22 ILE 13 HG22 ILE 13 -1.626 7.936 -29.473 115 HG23 ILE 13 HG23 ILE 13 -0.894 9.184 -30.480 116 HD11 ILE 13 HD11 ILE 13 -0.505 9.606 -32.341 117 HD12 ILE 13 HD12 ILE 13 -0.897 8.608 -33.740 118 HD13 ILE 13 HD13 ILE 13 0.719 9.296 -33.572 119 H GLN 14 HN GLN 14 -2.927 5.027 -31.047 120 HA GLN 14 HA GLN 14 -3.902 5.501 -28.484 121 HB2 GLN 14 HB2 GLN 14 -4.832 3.647 -30.686 122 HB3 GLN 14 HB1 GLN 14 -5.748 3.947 -29.208 123 HG2 GLN 14 HG2 GLN 14 -5.835 6.339 -29.712 124 HG3 GLN 14 HG1 GLN 14 -4.851 6.094 -31.154 125 HE21 GLN 14 HE21 GLN 14 -8.028 6.476 -30.190 126 HE22 GLN 14 HE22 GLN 14 -8.796 5.678 -31.478 127 H GLU 15 HN GLU 15 -2.437 2.605 -29.922 128 HA GLU 15 HA GLU 15 -3.059 0.791 -27.845 129 HB2 GLU 15 HB2 GLU 15 -0.887 0.825 -29.946 130 HB3 GLU 15 HB1 GLU 15 -1.173 -0.526 -28.850 131 HG2 GLU 15 HG2 GLU 15 -3.300 0.630 -30.664 132 HG3 GLU 15 HG1 GLU 15 -2.306 -0.760 -31.092 133 H GLU 16 HN GLU 16 -0.282 2.915 -28.474 134 HA GLU 16 HA GLU 16 1.363 1.935 -26.394 135 HB2 GLU 16 HB2 GLU 16 1.249 4.628 -27.767 136 HB3 GLU 16 HB1 GLU 16 2.497 4.172 -26.608 137 HG2 GLU 16 HG2 GLU 16 3.175 2.297 -28.008 138 HG3 GLU 16 HG1 GLU 16 1.862 2.626 -29.138 139 H MET 17 HN MET 17 -1.047 4.565 -26.503 140 HA MET 17 HA MET 17 -0.592 5.592 -23.948 141 HB2 MET 17 HB2 MET 17 -3.077 5.538 -25.669 142 HB3 MET 17 HB1 MET 17 -2.951 6.441 -24.161 143 HG2 MET 17 HG2 MET 17 -1.030 7.693 -25.056 144 HG3 MET 17 HG1 MET 17 -1.138 6.790 -26.567 145 HE1 MET 17 HE1 MET 17 -2.336 10.380 -27.470 146 HE2 MET 17 HE2 MET 17 -1.070 9.162 -27.606 147 HE3 MET 17 HE3 MET 17 -1.270 10.054 -26.099 148 H GLU 18 HN GLU 18 -2.669 2.949 -25.059 149 HA GLU 18 HA GLU 18 -4.086 2.544 -22.642 150 HB2 GLU 18 HB2 GLU 18 -3.401 0.680 -24.921 151 HB3 GLU 18 HB1 GLU 18 -4.463 0.233 -23.587 152 HG2 GLU 18 HG2 GLU 18 -5.957 2.107 -24.140 153 HG3 GLU 18 HG1 GLU 18 -4.888 2.583 -25.453 154 H LYS 19 HN LYS 19 -1.058 1.176 -23.897 155 HA LYS 19 HA LYS 19 -0.617 -0.685 -21.816 156 HB2 LYS 19 HB2 LYS 19 1.343 0.794 -23.595 157 HB3 LYS 19 HB1 LYS 19 1.767 -0.567 -22.553 158 HG2 LYS 19 HG2 LYS 19 0.164 -2.000 -23.739 159 HG3 LYS 19 HG1 LYS 19 -0.309 -0.646 -24.765 160 HD2 LYS 19 HD2 LYS 19 2.022 -0.485 -25.600 161 HD3 LYS 19 HD1 LYS 19 2.460 -1.878 -24.610 162 HE2 LYS 19 HE2 LYS 19 2.001 -2.615 -26.894 163 HE3 LYS 19 HE1 LYS 19 0.756 -3.236 -25.811 164 HZ1 LYS 19 HZ1 LYS 19 -0.786 -2.158 -26.955 165 HZ2 LYS 19 HZ2 LYS 19 0.395 -1.696 -28.081 166 HZ3 LYS 19 HZ3 LYS 19 0.018 -0.678 -26.776 167 H GLU 20 HN GLU 20 0.336 2.703 -22.232 168 HA GLU 20 HA GLU 20 1.884 2.938 -19.877 169 HB2 GLU 20 HB2 GLU 20 1.893 4.589 -21.756 170 HB3 GLU 20 HB1 GLU 20 0.284 5.109 -21.254 171 HG2 GLU 20 HG2 GLU 20 1.176 5.717 -19.035 172 HG3 GLU 20 HG1 GLU 20 2.781 5.203 -19.541 173 H ARG 21 HN ARG 21 -1.543 3.469 -20.559 174 HA ARG 21 HA ARG 21 -2.270 4.507 -18.047 175 HB2 ARG 21 HB2 ARG 21 -3.714 4.531 -20.109 176 HB3 ARG 21 HB1 ARG 21 -4.000 2.810 -19.865 177 HG2 ARG 21 HG2 ARG 21 -5.851 3.866 -18.824 178 HG3 ARG 21 HG1 ARG 21 -4.775 3.445 -17.495 179 HD2 ARG 21 HD2 ARG 21 -3.819 5.745 -17.574 180 HD3 ARG 21 HD1 ARG 21 -4.992 6.160 -18.822 181 HE ARG 21 HE ARG 21 -6.640 6.243 -17.188 182 HH11 ARG 21 HH11 ARG 21 -3.774 4.723 -15.903 183 HH12 ARG 21 HH12 ARG 21 -4.360 4.739 -14.276 184 HH21 ARG 21 HH21 ARG 21 -7.370 6.238 -15.056 185 HH22 ARG 21 HH22 ARG 21 -6.373 5.583 -13.802 186 H LYS 22 HN LYS 22 -2.126 1.177 -19.266 187 HA LYS 22 HA LYS 22 -3.198 -0.100 -16.988 188 HB2 LYS 22 HB2 LYS 22 -2.894 -1.185 -19.211 189 HB3 LYS 22 HB1 LYS 22 -1.153 -1.188 -18.938 190 HG2 LYS 22 HG2 LYS 22 -1.456 -2.557 -16.917 191 HG3 LYS 22 HG1 LYS 22 -3.203 -2.538 -17.159 192 HD2 LYS 22 HD2 LYS 22 -2.911 -3.665 -19.340 193 HD3 LYS 22 HD1 LYS 22 -1.166 -3.711 -19.077 194 HE2 LYS 22 HE2 LYS 22 -3.221 -4.983 -17.243 195 HE3 LYS 22 HE1 LYS 22 -2.285 -5.855 -18.457 196 HZ1 LYS 22 HZ1 LYS 22 -0.260 -4.919 -17.307 197 HZ2 LYS 22 HZ2 LYS 22 -1.123 -6.104 -16.449 198 HZ3 LYS 22 HZ3 LYS 22 -1.290 -4.466 -16.038 199 H ARG 23 HN ARG 23 0.118 0.780 -17.891 200 HA ARG 23 HA ARG 23 1.426 -0.488 -15.737 201 HB2 ARG 23 HB2 ARG 23 2.564 0.401 -17.765 202 HB3 ARG 23 HB1 ARG 23 2.251 2.037 -17.190 203 HG2 ARG 23 HG2 ARG 23 3.537 1.584 -15.144 204 HG3 ARG 23 HG1 ARG 23 3.837 -0.067 -15.690 205 HD2 ARG 23 HD2 ARG 23 5.006 0.790 -17.678 206 HD3 ARG 23 HD1 ARG 23 4.694 2.442 -17.157 207 HE ARG 23 HE ARG 23 6.029 1.127 -15.075 208 HH11 ARG 23 HH11 ARG 23 6.610 2.154 -18.350 209 HH12 ARG 23 HH12 ARG 23 8.310 2.364 -18.112 210 HH21 ARG 23 HH21 ARG 23 8.249 1.406 -14.787 211 HH22 ARG 23 HH22 ARG 23 9.232 1.943 -16.106 212 H ARG 24 HN ARG 24 0.056 2.784 -16.094 213 HA ARG 24 HA ARG 24 0.941 3.771 -13.596 214 HB2 ARG 24 HB2 ARG 24 -1.405 4.493 -15.365 215 HB3 ARG 24 HB1 ARG 24 -0.974 5.400 -13.918 216 HG2 ARG 24 HG2 ARG 24 1.087 4.849 -16.054 217 HG3 ARG 24 HG1 ARG 24 -0.035 6.195 -16.217 218 HD2 ARG 24 HD2 ARG 24 1.798 7.177 -15.137 219 HD3 ARG 24 HD1 ARG 24 0.693 6.830 -13.815 220 HE ARG 24 HE ARG 24 2.530 4.679 -14.276 221 HH11 ARG 24 HH11 ARG 24 2.149 7.792 -12.772 222 HH12 ARG 24 HH12 ARG 24 3.367 7.500 -11.580 223 HH21 ARG 24 HH21 ARG 24 4.095 4.306 -12.701 224 HH22 ARG 24 HH22 ARG 24 4.468 5.536 -11.544 225 H GLU 25 HN GLU 25 -2.026 2.105 -14.596 226 HA GLU 25 HA GLU 25 -3.367 2.292 -12.123 227 HB2 GLU 25 HB2 GLU 25 -3.543 0.256 -14.355 228 HB3 GLU 25 HB1 GLU 25 -4.628 0.268 -12.967 229 HG2 GLU 25 HG2 GLU 25 -5.368 2.529 -13.528 230 HG3 GLU 25 HG1 GLU 25 -4.215 2.597 -14.858 231 H GLU 26 HN GLU 26 -1.143 -0.122 -13.434 232 HA GLU 26 HA GLU 26 -1.321 -1.968 -11.301 233 HB2 GLU 26 HB2 GLU 26 -0.244 -2.291 -13.619 234 HB3 GLU 26 HB1 GLU 26 1.175 -1.500 -12.931 235 HG2 GLU 26 HG2 GLU 26 1.233 -3.179 -11.125 236 HG3 GLU 26 HG1 GLU 26 -0.166 -3.985 -11.830 237 H ASP 27 HN ASP 27 0.823 0.780 -11.889 238 HA ASP 27 HA ASP 27 2.465 0.477 -9.608 239 HB2 ASP 27 HB2 ASP 27 1.763 2.874 -11.300 240 HB3 ASP 27 HB1 ASP 27 2.886 2.963 -9.949 241 H GLU 28 HN GLU 28 -0.550 2.237 -10.165 242 HA GLU 28 HA GLU 28 -0.684 3.534 -7.657 243 HB2 GLU 28 HB2 GLU 28 -2.821 2.676 -9.611 244 HB3 GLU 28 HB1 GLU 28 -3.178 3.588 -8.145 245 HG2 GLU 28 HG2 GLU 28 -1.787 5.419 -8.865 246 HG3 GLU 28 HG1 GLU 28 -1.181 4.495 -10.232 247 H GLN 29 HN GLN 29 -1.896 0.390 -8.772 248 HA GLN 29 HA GLN 29 -3.245 -0.341 -6.410 249 HB2 GLN 29 HB2 GLN 29 -3.442 -1.510 -8.617 250 HB3 GLN 29 HB1 GLN 29 -1.833 -2.178 -8.359 251 HG2 GLN 29 HG2 GLN 29 -2.580 -3.313 -6.339 252 HG3 GLN 29 HG1 GLN 29 -4.169 -2.567 -6.472 253 HE21 GLN 29 HE21 GLN 29 -3.745 -5.439 -6.452 254 HE22 GLN 29 HE22 GLN 29 -4.231 -6.033 -7.966 255 H ARG 30 HN ARG 30 0.112 -0.821 -7.457 256 HA ARG 30 HA ARG 30 0.950 -2.374 -5.249 257 HB2 ARG 30 HB2 ARG 30 2.371 -0.634 -7.243 258 HB3 ARG 30 HB1 ARG 30 3.256 -1.306 -5.876 259 HG2 ARG 30 HG2 ARG 30 2.323 -3.581 -6.558 260 HG3 ARG 30 HG1 ARG 30 1.773 -2.805 -8.046 261 HD2 ARG 30 HD2 ARG 30 4.635 -2.533 -7.153 262 HD3 ARG 30 HD1 ARG 30 4.111 -3.956 -8.041 263 HE ARG 30 HE ARG 30 4.268 -1.216 -9.061 264 HH11 ARG 30 HH11 ARG 30 3.257 -4.521 -9.579 265 HH12 ARG 30 HH12 ARG 30 3.168 -4.330 -11.294 266 HH21 ARG 30 HH21 ARG 30 4.090 -1.015 -11.311 267 HH22 ARG 30 HH22 ARG 30 3.598 -2.383 -12.254 268 H ARG 31 HN ARG 31 0.903 1.116 -5.815 269 HA ARG 31 HA ARG 31 2.208 1.886 -3.431 270 HB2 ARG 31 HB2 ARG 31 1.794 3.410 -5.353 271 HB3 ARG 31 HB1 ARG 31 0.076 3.403 -4.957 272 HG2 ARG 31 HG2 ARG 31 0.609 4.290 -2.702 273 HG3 ARG 31 HG1 ARG 31 2.316 4.351 -3.145 274 HD2 ARG 31 HD2 ARG 31 1.782 5.888 -4.999 275 HD3 ARG 31 HD1 ARG 31 0.078 5.825 -4.561 276 HE ARG 31 HE ARG 31 1.559 6.633 -2.307 277 HH11 ARG 31 HH11 ARG 31 0.629 7.782 -5.459 278 HH12 ARG 31 HH12 ARG 31 0.672 9.449 -4.999 279 HH21 ARG 31 HH21 ARG 31 1.609 8.814 -1.729 280 HH22 ARG 31 HH22 ARG 31 1.224 10.028 -2.898 281 H ARG 32 HN ARG 32 -1.207 1.340 -4.212 282 HA ARG 32 HA ARG 32 -2.266 2.156 -1.720 283 HB2 ARG 32 HB2 ARG 32 -3.648 1.793 -3.744 284 HB3 ARG 32 HB1 ARG 32 -3.349 0.059 -3.622 285 HG2 ARG 32 HG2 ARG 32 -4.400 0.036 -1.384 286 HG3 ARG 32 HG1 ARG 32 -4.714 1.767 -1.519 287 HD2 ARG 32 HD2 ARG 32 -6.125 1.399 -3.474 288 HD3 ARG 32 HD1 ARG 32 -5.749 -0.321 -3.455 289 HE ARG 32 HE ARG 32 -6.814 0.242 -0.965 290 HH11 ARG 32 HH11 ARG 32 -7.832 0.449 -4.288 291 HH12 ARG 32 HH12 ARG 32 -9.504 0.198 -3.919 292 HH21 ARG 32 HH21 ARG 32 -9.000 -0.075 -0.507 293 HH22 ARG 32 HH22 ARG 32 -10.161 -0.097 -1.790 294 H LYS 33 HN LYS 33 -1.199 -1.000 -2.920 295 HA LYS 33 HA LYS 33 -1.858 -2.500 -0.622 296 HB2 LYS 33 HB2 LYS 33 -1.259 -3.485 -2.838 297 HB3 LYS 33 HB1 LYS 33 0.419 -3.026 -2.549 298 HG2 LYS 33 HG2 LYS 33 0.457 -4.403 -0.508 299 HG3 LYS 33 HG1 LYS 33 -1.228 -4.851 -0.773 300 HD2 LYS 33 HD2 LYS 33 -0.613 -5.881 -2.933 301 HD3 LYS 33 HD1 LYS 33 1.075 -5.448 -2.652 302 HE2 LYS 33 HE2 LYS 33 1.092 -6.820 -0.602 303 HE3 LYS 33 HE1 LYS 33 -0.595 -7.253 -0.877 304 HZ1 LYS 33 HZ1 LYS 33 -0.050 -8.431 -2.808 305 HZ2 LYS 33 HZ2 LYS 33 1.140 -8.882 -1.683 306 HZ3 LYS 33 HZ3 LYS 33 1.504 -7.755 -2.901 307 H GLU 34 HN GLU 34 1.081 -0.770 -1.558 308 HA GLU 34 HA GLU 34 2.705 -1.567 0.600 309 HB2 GLU 34 HB2 GLU 34 3.513 -0.395 -1.461 310 HB3 GLU 34 HB1 GLU 34 2.773 1.087 -0.861 311 HG2 GLU 34 HG2 GLU 34 4.181 0.971 1.161 312 HG3 GLU 34 HG1 GLU 34 4.925 -0.504 0.558 313 H GLU 35 HN GLU 35 0.459 1.157 0.234 314 HA GLU 35 HA GLU 35 1.013 2.416 2.705 315 HB2 GLU 35 HB2 GLU 35 -0.272 3.384 0.739 316 HB3 GLU 35 HB1 GLU 35 -1.652 2.428 1.281 317 HG2 GLU 35 HG2 GLU 35 -1.877 4.603 2.280 318 HG3 GLU 35 HG1 GLU 35 -1.379 3.496 3.553 319 H GLU 36 HN GLU 36 -1.280 -0.057 1.745 320 HA GLU 36 HA GLU 36 -2.689 -0.247 4.210 321 HB2 GLU 36 HB2 GLU 36 -2.270 -2.252 1.984 322 HB3 GLU 36 HB1 GLU 36 -3.303 -2.556 3.380 323 HG2 GLU 36 HG2 GLU 36 -4.725 -0.695 2.825 324 HG3 GLU 36 HG1 GLU 36 -3.621 -0.155 1.565 325 H GLU 37 HN GLU 37 0.127 -1.962 2.917 326 HA GLU 37 HA GLU 37 0.488 -3.751 5.066 327 HB2 GLU 37 HB2 GLU 37 1.614 -3.922 2.839 328 HB3 GLU 37 HB1 GLU 37 2.645 -2.564 3.299 329 HG2 GLU 37 HG2 GLU 37 3.868 -4.566 3.818 330 HG3 GLU 37 HG1 GLU 37 3.308 -3.890 5.345 331 H ARG 38 HN ARG 38 1.738 -0.482 4.473 332 HA ARG 38 HA ARG 38 3.431 -0.332 6.728 333 HB2 ARG 38 HB2 ARG 38 1.965 1.777 5.133 334 HB3 ARG 38 HB1 ARG 38 3.097 2.172 6.429 335 HG2 ARG 38 HG2 ARG 38 4.911 1.078 5.279 336 HG3 ARG 38 HG1 ARG 38 3.813 0.403 4.076 337 HD2 ARG 38 HD2 ARG 38 4.964 2.360 3.152 338 HD3 ARG 38 HD1 ARG 38 3.241 2.673 3.315 339 HE ARG 38 HE ARG 38 4.801 3.545 5.582 340 HH11 ARG 38 HH11 ARG 38 3.558 4.390 2.437 341 HH12 ARG 38 HH12 ARG 38 3.628 6.091 2.737 342 HH21 ARG 38 HH21 ARG 38 4.885 5.768 5.942 343 HH22 ARG 38 HH22 ARG 38 4.379 6.865 4.703 344 H ARG 39 HN ARG 39 -0.009 0.592 6.271 345 HA ARG 39 HA ARG 39 -0.435 1.614 8.822 346 HB2 ARG 39 HB2 ARG 39 -2.016 1.833 6.924 347 HB3 ARG 39 HB1 ARG 39 -2.393 0.116 7.056 348 HG2 ARG 39 HG2 ARG 39 -3.172 0.478 9.380 349 HG3 ARG 39 HG1 ARG 39 -2.828 2.199 9.216 350 HD2 ARG 39 HD2 ARG 39 -4.439 2.370 7.372 351 HD3 ARG 39 HD1 ARG 39 -4.773 0.641 7.488 352 HE ARG 39 HE ARG 39 -6.071 1.061 9.364 353 HH11 ARG 39 HH11 ARG 39 -4.124 3.857 8.635 354 HH12 ARG 39 HH12 ARG 39 -4.937 4.867 9.781 355 HH21 ARG 39 HH21 ARG 39 -7.107 2.398 10.851 356 HH22 ARG 39 HH22 ARG 39 -6.610 4.048 11.027 357 H MET 40 HN MET 40 -0.697 -1.718 7.593 358 HA MET 40 HA MET 40 -1.745 -2.896 9.918 359 HB2 MET 40 HB2 MET 40 -0.001 -3.993 7.702 360 HB3 MET 40 HB1 MET 40 -0.680 -4.999 8.979 361 HG2 MET 40 HG2 MET 40 -2.337 -3.220 7.172 362 HG3 MET 40 HG1 MET 40 -2.076 -4.939 6.885 363 HE1 MET 40 HE1 MET 40 -2.247 -6.406 9.697 364 HE2 MET 40 HE2 MET 40 -2.810 -6.748 8.062 365 HE3 MET 40 HE3 MET 40 -3.938 -6.832 9.413 366 H LYS 41 HN LYS 41 1.600 -2.298 8.884 367 HA LYS 41 HA LYS 41 2.877 -3.608 11.040 368 HB2 LYS 41 HB2 LYS 41 3.753 -1.336 9.250 369 HB3 LYS 41 HB1 LYS 41 4.806 -2.076 10.453 370 HG2 LYS 41 HG2 LYS 41 4.483 -4.278 9.384 371 HG3 LYS 41 HG1 LYS 41 3.433 -3.538 8.178 372 HD2 LYS 41 HD2 LYS 41 5.273 -2.125 7.399 373 HD3 LYS 41 HD1 LYS 41 6.335 -2.789 8.641 374 HE2 LYS 41 HE2 LYS 41 6.089 -5.037 7.655 375 HE3 LYS 41 HE1 LYS 41 5.025 -4.380 6.412 376 HZ1 LYS 41 HZ1 LYS 41 6.752 -3.182 5.456 377 HZ2 LYS 41 HZ2 LYS 41 7.486 -4.660 5.860 378 HZ3 LYS 41 HZ3 LYS 41 7.738 -3.290 6.833 379 H LEU 42 HN LEU 42 1.761 -0.289 10.586 380 HA LEU 42 HA LEU 42 2.808 0.770 12.994 381 HB2 LEU 42 HB2 LEU 42 1.949 2.151 11.103 382 HB3 LEU 42 HB1 LEU 42 0.312 1.656 11.527 383 HG LEU 42 HG LEU 42 0.735 2.577 13.842 384 HD11 LEU 42 HD11 LEU 42 2.610 4.344 13.865 385 HD12 LEU 42 HD12 LEU 42 3.250 3.503 12.454 386 HD13 LEU 42 HD13 LEU 42 3.096 2.654 13.990 387 HD21 LEU 42 HD21 LEU 42 1.046 4.643 11.651 388 HD22 LEU 42 HD22 LEU 42 0.233 4.834 13.204 389 HD23 LEU 42 HD23 LEU 42 -0.468 3.794 11.965 390 H GLU 43 HN GLU 43 -0.313 -0.697 12.197 391 HA GLU 43 HA GLU 43 -1.546 -0.346 14.706 392 HB2 GLU 43 HB2 GLU 43 -2.727 -1.016 12.599 393 HB3 GLU 43 HB1 GLU 43 -2.005 -2.617 12.756 394 HG2 GLU 43 HG2 GLU 43 -3.073 -2.905 14.943 395 HG3 GLU 43 HG1 GLU 43 -3.777 -1.294 14.829 396 H MET 44 HN MET 44 0.461 -2.938 13.394 397 HA MET 44 HA MET 44 0.217 -4.745 15.546 398 HB2 MET 44 HB2 MET 44 1.202 -5.315 13.319 399 HB3 MET 44 HB1 MET 44 2.622 -4.360 13.744 400 HG2 MET 44 HG2 MET 44 3.039 -5.806 15.684 401 HG3 MET 44 HG1 MET 44 1.597 -6.748 15.306 402 HE1 MET 44 HE1 MET 44 4.767 -8.124 15.453 403 HE2 MET 44 HE2 MET 44 4.048 -9.376 14.443 404 HE3 MET 44 HE3 MET 44 3.074 -8.579 15.675 405 H GLU 45 HN GLU 45 2.513 -2.114 14.936 406 HA GLU 45 HA GLU 45 4.168 -2.503 17.183 407 HB2 GLU 45 HB2 GLU 45 3.496 -0.006 15.608 408 HB3 GLU 45 HB1 GLU 45 4.735 -0.067 16.861 409 HG2 GLU 45 HG2 GLU 45 5.960 -1.772 15.630 410 HG3 GLU 45 HG1 GLU 45 4.685 -1.859 14.420 411 H ALA 46 HN ALA 46 1.221 -0.607 16.715 412 HA ALA 46 HA ALA 46 1.172 0.657 19.243 413 HB1 ALA 46 HB1 ALA 46 -1.112 -0.131 17.415 414 HB2 ALA 46 HB2 ALA 46 -0.269 1.419 17.432 415 HB3 ALA 46 HB3 ALA 46 -1.265 0.941 18.808 416 H LYS 47 HN LYS 47 -0.209 -2.411 18.098 417 HA LYS 47 HA LYS 47 -1.525 -3.128 20.469 418 HB2 LYS 47 HB2 LYS 47 -0.348 -4.737 18.208 419 HB3 LYS 47 HB1 LYS 47 -1.104 -5.530 19.588 420 HG2 LYS 47 HG2 LYS 47 -3.185 -4.308 19.185 421 HG3 LYS 47 HG1 LYS 47 -2.430 -3.423 17.858 422 HD2 LYS 47 HD2 LYS 47 -2.233 -5.396 16.527 423 HD3 LYS 47 HD1 LYS 47 -2.608 -6.446 17.893 424 HE2 LYS 47 HE2 LYS 47 -4.574 -6.248 16.457 425 HE3 LYS 47 HE1 LYS 47 -4.883 -5.449 17.996 426 HZ1 LYS 47 HZ1 LYS 47 -4.562 -4.302 15.340 427 HZ2 LYS 47 HZ2 LYS 47 -3.896 -3.418 16.627 428 HZ3 LYS 47 HZ3 LYS 47 -5.550 -3.804 16.623 429 H ARG 48 HN ARG 48 1.815 -3.747 19.409 430 HA ARG 48 HA ARG 48 2.608 -5.299 21.623 431 HB2 ARG 48 HB2 ARG 48 4.159 -3.513 19.739 432 HB3 ARG 48 HB1 ARG 48 4.930 -4.517 20.968 433 HG2 ARG 48 HG2 ARG 48 3.933 -6.526 19.995 434 HG3 ARG 48 HG1 ARG 48 3.081 -5.551 18.796 435 HD2 ARG 48 HD2 ARG 48 5.094 -6.477 17.781 436 HD3 ARG 48 HD1 ARG 48 5.294 -4.735 17.963 437 HE ARG 48 HE ARG 48 6.971 -5.131 19.515 438 HH11 ARG 48 HH11 ARG 48 5.170 -8.059 18.954 439 HH12 ARG 48 HH12 ARG 48 6.277 -9.050 19.840 440 HH21 ARG 48 HH21 ARG 48 8.394 -6.448 20.668 441 HH22 ARG 48 HH22 ARG 48 8.084 -8.146 20.803 442 H LYS 49 HN LYS 49 2.663 -1.829 21.019 443 HA LYS 49 HA LYS 49 4.014 -1.049 23.378 444 HB2 LYS 49 HB2 LYS 49 2.006 0.417 21.651 445 HB3 LYS 49 HB1 LYS 49 2.848 1.169 23.006 446 HG2 LYS 49 HG2 LYS 49 5.012 0.667 21.978 447 HG3 LYS 49 HG1 LYS 49 4.209 -0.158 20.642 448 HD2 LYS 49 HD2 LYS 49 3.049 1.966 20.062 449 HD3 LYS 49 HD1 LYS 49 3.933 2.778 21.354 450 HE2 LYS 49 HE2 LYS 49 5.221 1.354 19.007 451 HE3 LYS 49 HE1 LYS 49 5.010 3.099 19.130 452 HZ1 LYS 49 HZ1 LYS 49 6.248 2.869 21.326 453 HZ2 LYS 49 HZ2 LYS 49 7.158 2.711 19.900 454 HZ3 LYS 49 HZ3 LYS 49 6.706 1.330 20.781 455 H GLN 50 HN GLN 50 0.559 -1.471 22.674 456 HA GLN 50 HA GLN 50 -0.417 -0.657 25.199 457 HB2 GLN 50 HB2 GLN 50 -1.550 -2.525 23.108 458 HB3 GLN 50 HB1 GLN 50 -2.432 -2.050 24.560 459 HG2 GLN 50 HG2 GLN 50 -2.243 0.311 23.933 460 HG3 GLN 50 HG1 GLN 50 -1.298 -0.124 22.510 461 HE21 GLN 50 HE21 GLN 50 -4.390 0.713 23.402 462 HE22 GLN 50 HE22 GLN 50 -5.255 -0.076 22.173 463 H GLU 51 HN GLU 51 0.539 -3.821 23.922 464 HA GLU 51 HA GLU 51 -0.150 -5.372 26.159 465 HB2 GLU 51 HB2 GLU 51 0.437 -6.319 23.940 466 HB3 GLU 51 HB1 GLU 51 2.113 -5.836 24.198 467 HG2 GLU 51 HG2 GLU 51 2.171 -7.245 26.248 468 HG3 GLU 51 HG1 GLU 51 0.527 -7.772 25.906 469 H GLU 52 HN GLU 52 2.816 -3.612 25.335 470 HA GLU 52 HA GLU 52 4.433 -4.524 27.442 471 HB2 GLU 52 HB2 GLU 52 5.278 -3.269 25.470 472 HB3 GLU 52 HB1 GLU 52 4.475 -1.822 26.073 473 HG2 GLU 52 HG2 GLU 52 5.813 -1.979 28.157 474 HG3 GLU 52 HG1 GLU 52 6.658 -3.371 27.490 475 H GLU 53 HN GLU 53 2.164 -1.826 27.214 476 HA GLU 53 HA GLU 53 2.735 -0.610 29.705 477 HB2 GLU 53 HB2 GLU 53 0.209 -0.652 28.036 478 HB3 GLU 53 HB1 GLU 53 0.404 0.337 29.483 479 HG2 GLU 53 HG2 GLU 53 2.324 1.475 28.485 480 HG3 GLU 53 HG1 GLU 53 2.222 0.443 27.060 481 H GLU 54 HN GLU 54 0.404 -3.121 28.765 482 HA GLU 54 HA GLU 54 -0.851 -3.420 31.268 483 HB2 GLU 54 HB2 GLU 54 -1.709 -4.356 29.119 484 HB3 GLU 54 HB1 GLU 54 -0.409 -5.546 29.159 485 HG2 GLU 54 HG2 GLU 54 -1.240 -6.415 31.294 486 HG3 GLU 54 HG1 GLU 54 -2.515 -5.204 31.308 487 H ARG 55 HN ARG 55 2.006 -4.961 29.847 488 HA ARG 55 HA ARG 55 2.444 -6.876 31.870 489 HB2 ARG 55 HB2 ARG 55 4.339 -5.483 29.967 490 HB3 ARG 55 HB1 ARG 55 4.841 -6.778 31.054 491 HG2 ARG 55 HG2 ARG 55 3.212 -8.299 30.054 492 HG3 ARG 55 HG1 ARG 55 2.616 -7.010 29.005 493 HD2 ARG 55 HD2 ARG 55 4.837 -6.840 27.950 494 HD3 ARG 55 HD1 ARG 55 5.446 -8.107 29.013 495 HE ARG 55 HE ARG 55 3.755 -8.465 26.688 496 HH11 ARG 55 HH11 ARG 55 4.812 -9.824 29.720 497 HH12 ARG 55 HH12 ARG 55 4.451 -11.448 29.248 498 HH21 ARG 55 HH21 ARG 55 3.296 -10.582 26.107 499 HH22 ARG 55 HH22 ARG 55 3.597 -11.876 27.218 500 H LYS 56 HN LYS 56 3.598 -3.545 31.526 501 HA LYS 56 HA LYS 56 5.241 -3.460 33.829 502 HB2 LYS 56 HB2 LYS 56 3.759 -1.297 32.324 503 HB3 LYS 56 HB1 LYS 56 4.852 -0.961 33.664 504 HG2 LYS 56 HG2 LYS 56 6.704 -2.005 32.486 505 HG3 LYS 56 HG1 LYS 56 5.633 -2.510 31.179 506 HD2 LYS 56 HD2 LYS 56 5.135 -0.142 30.675 507 HD3 LYS 56 HD1 LYS 56 6.225 0.357 31.970 508 HE2 LYS 56 HE2 LYS 56 8.128 -0.574 30.837 509 HE3 LYS 56 HE1 LYS 56 7.107 -1.365 29.639 510 HZ1 LYS 56 HZ1 LYS 56 8.009 1.371 29.774 511 HZ2 LYS 56 HZ2 LYS 56 6.352 1.211 29.429 512 HZ3 LYS 56 HZ3 LYS 56 7.506 0.453 28.440 513 H LYS 57 HN LYS 57 1.817 -2.761 33.317 514 HA LYS 57 HA LYS 57 1.250 -1.822 35.935 515 HB2 LYS 57 HB2 LYS 57 -0.242 -1.530 33.946 516 HB3 LYS 57 HB1 LYS 57 -0.635 -3.247 34.045 517 HG2 LYS 57 HG2 LYS 57 -1.504 -2.939 36.319 518 HG3 LYS 57 HG1 LYS 57 -1.072 -1.232 36.270 519 HD2 LYS 57 HD2 LYS 57 -2.938 -2.495 34.253 520 HD3 LYS 57 HD1 LYS 57 -3.513 -1.775 35.758 521 HE2 LYS 57 HE2 LYS 57 -2.335 0.352 35.110 522 HE3 LYS 57 HE1 LYS 57 -1.972 -0.384 33.549 523 HZ1 LYS 57 HZ1 LYS 57 -4.640 0.226 34.687 524 HZ2 LYS 57 HZ2 LYS 57 -4.421 -0.771 33.328 525 HZ3 LYS 57 HZ3 LYS 57 -3.943 0.859 33.275 526 H ARG 58 HN ARG 58 1.090 -5.031 34.448 527 HA ARG 58 HA ARG 58 0.030 -6.410 36.671 528 HB2 ARG 58 HB2 ARG 58 1.771 -7.366 34.385 529 HB3 ARG 58 HB1 ARG 58 1.010 -8.435 35.562 530 HG2 ARG 58 HG2 ARG 58 -0.591 -6.428 33.969 531 HG3 ARG 58 HG1 ARG 58 -0.273 -8.054 33.365 532 HD2 ARG 58 HD2 ARG 58 -1.283 -8.991 35.430 533 HD3 ARG 58 HD1 ARG 58 -1.636 -7.360 35.984 534 HE ARG 58 HE ARG 58 -2.772 -7.721 33.430 535 HH11 ARG 58 HH11 ARG 58 -3.142 -8.789 36.726 536 HH12 ARG 58 HH12 ARG 58 -4.840 -9.077 36.568 537 HH21 ARG 58 HH21 ARG 58 -4.981 -8.103 33.249 538 HH22 ARG 58 HH22 ARG 58 -5.876 -8.689 34.609 539 H GLU 59 HN GLU 59 3.350 -5.727 35.663 540 HA GLU 59 HA GLU 59 4.661 -7.276 37.621 541 HB2 GLU 59 HB2 GLU 59 5.507 -4.809 36.095 542 HB3 GLU 59 HB1 GLU 59 6.581 -5.685 37.185 543 HG2 GLU 59 HG2 GLU 59 6.399 -7.691 35.871 544 HG3 GLU 59 HG1 GLU 59 5.127 -6.996 34.875 545 H ASP 60 HN ASP 60 3.538 -3.924 37.619 546 HA ASP 60 HA ASP 60 4.700 -3.124 40.072 547 HB2 ASP 60 HB2 ASP 60 3.686 -1.602 38.329 548 HB3 ASP 60 HB1 ASP 60 2.100 -2.104 38.920 549 H ASP 61 HN ASP 61 1.524 -4.597 39.301 550 HA ASP 61 HA ASP 61 0.407 -4.442 41.853 551 HB2 ASP 61 HB2 ASP 61 -0.073 -6.106 39.412 552 HB3 ASP 61 HB1 ASP 61 -0.872 -6.538 40.926 553 H GLU 62 HN GLU 62 2.536 -6.870 40.351 554 HA GLU 62 HA GLU 62 2.264 -8.857 42.306 555 HB2 GLU 62 HB2 GLU 62 4.413 -8.246 40.278 556 HB3 GLU 62 HB1 GLU 62 4.448 -9.669 41.319 557 HG2 GLU 62 HG2 GLU 62 2.142 -8.969 39.481 558 HG3 GLU 62 HG1 GLU 62 3.428 -10.100 39.067 559 H LYS 63 HN LYS 63 4.493 -6.139 41.919 560 HA LYS 63 HA LYS 63 6.320 -6.834 43.946 561 HB2 LYS 63 HB2 LYS 63 6.678 -5.032 42.257 562 HB3 LYS 63 HB1 LYS 63 5.479 -4.047 43.089 563 HG2 LYS 63 HG2 LYS 63 6.834 -4.110 45.144 564 HG3 LYS 63 HG1 LYS 63 8.034 -5.109 44.329 565 HD2 LYS 63 HD2 LYS 63 8.425 -3.306 42.688 566 HD3 LYS 63 HD1 LYS 63 7.230 -2.302 43.512 567 HE2 LYS 63 HE2 LYS 63 8.570 -2.349 45.564 568 HE3 LYS 63 HE1 LYS 63 9.756 -3.398 44.788 569 HZ1 LYS 63 HZ1 LYS 63 9.028 -0.671 43.858 570 HZ2 LYS 63 HZ2 LYS 63 10.228 -1.675 43.196 571 HZ3 LYS 63 HZ3 LYS 63 10.413 -1.048 44.765 572 H ARG 64 HN ARG 64 3.255 -4.898 44.100 573 HA ARG 64 HA ARG 64 3.554 -4.246 46.827 574 HB2 ARG 64 HB2 ARG 64 2.045 -3.170 45.075 575 HB3 ARG 64 HB1 ARG 64 0.968 -4.547 45.311 576 HG2 ARG 64 HG2 ARG 64 0.721 -4.021 47.673 577 HG3 ARG 64 HG1 ARG 64 1.933 -2.742 47.546 578 HD2 ARG 64 HD2 ARG 64 -0.290 -1.751 47.488 579 HD3 ARG 64 HD1 ARG 64 0.482 -1.564 45.918 580 HE ARG 64 HE ARG 64 -1.117 -3.935 46.044 581 HH11 ARG 64 HH11 ARG 64 -1.234 -0.482 45.630 582 HH12 ARG 64 HH12 ARG 64 -2.705 -0.518 44.721 583 HH21 ARG 64 HH21 ARG 64 -3.037 -3.959 44.855 584 HH22 ARG 64 HH22 ARG 64 -3.718 -2.475 44.286 585 H ILE 65 HN ILE 65 3.388 -7.291 45.587 586 HA ILE 65 HA ILE 65 1.375 -8.483 47.185 587 HB ILE 65 HB ILE 65 3.783 -9.605 45.770 588 HG12 ILE 65 HG12 ILE 65 0.821 -9.951 45.244 589 HG13 ILE 65 HG11 ILE 65 1.812 -8.722 44.461 590 HG21 ILE 65 HG21 ILE 65 1.716 -11.024 47.446 591 HG22 ILE 65 HG22 ILE 65 3.474 -11.094 47.579 592 HG23 ILE 65 HG23 ILE 65 2.668 -11.846 46.204 593 HD11 ILE 65 HD11 ILE 65 1.576 -10.777 43.072 594 HD12 ILE 65 HD12 ILE 65 2.361 -11.702 44.353 595 HD13 ILE 65 HD13 ILE 65 3.254 -10.442 43.501 596 H GLN 66 HN GLN 66 4.840 -7.911 47.595 597 HA GLN 66 HA GLN 66 5.242 -9.429 49.908 598 HB2 GLN 66 HB2 GLN 66 6.558 -6.882 48.943 599 HB3 GLN 66 HB1 GLN 66 7.117 -7.779 50.353 600 HG2 GLN 66 HG2 GLN 66 7.485 -9.768 48.992 601 HG3 GLN 66 HG1 GLN 66 6.818 -8.958 47.577 602 HE21 GLN 66 HE21 GLN 66 9.736 -9.690 49.109 603 HE22 GLN 66 HE22 GLN 66 10.704 -8.497 48.385 604 H ALA 67 HN ALA 67 4.038 -6.136 49.509 605 HA ALA 67 HA ALA 67 4.015 -5.353 52.210 606 HB1 ALA 67 HB1 ALA 67 3.650 -3.737 50.426 607 HB2 ALA 67 HB2 ALA 67 2.253 -3.744 51.502 608 HB3 ALA 67 HB3 ALA 67 2.168 -4.564 49.943 609 H GLU 68 HN GLU 68 1.737 -7.241 50.292 610 HA GLU 68 HA GLU 68 -0.369 -7.272 52.201 611 HB2 GLU 68 HB2 GLU 68 -0.585 -7.842 49.755 612 HB3 GLU 68 HB1 GLU 68 0.228 -9.367 50.102 613 HG2 GLU 68 HG2 GLU 68 -1.531 -9.971 51.696 614 HG3 GLU 68 HG1 GLU 68 -2.328 -8.425 51.423
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