NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
648178 | 6o8r | 30587 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 51.290 11.103 11.375 2 H2 ALA 1 HT2 ALA 1 51.425 10.240 12.831 3 H3 ALA 1 HT3 ALA 1 50.095 9.982 11.805 4 HA ALA 1 HA ALA 1 52.735 8.885 11.732 5 HB1 ALA 1 HB1 ALA 1 50.809 7.461 11.992 6 HB2 ALA 1 HB2 ALA 1 51.484 7.175 10.367 7 HB3 ALA 1 HB3 ALA 1 50.024 8.178 10.562 8 H TRP 2 HN TRP 2 50.645 8.729 8.957 9 HA TRP 2 HA TRP 2 51.981 10.642 7.365 10 HB2 TRP 2 HB2 TRP 2 53.344 8.188 7.686 11 HB3 TRP 2 HB1 TRP 2 52.747 8.265 6.014 12 HD1 TRP 2 HD1 TRP 2 55.537 9.370 8.158 13 HE1 TRP 2 HE1 TRP 2 57.034 11.128 6.963 14 HE3 TRP 2 HE3 TRP 2 52.457 10.516 4.232 15 HZ2 TRP 2 HZ2 TRP 2 56.884 12.791 4.619 16 HZ3 TRP 2 HZ3 TRP 2 53.156 12.193 2.527 17 HH2 TRP 2 HH2 TRP 2 55.364 13.329 2.717 18 H LYS 3 HN LYS 3 49.283 10.201 7.875 19 HA LYS 3 HA LYS 3 47.310 9.603 6.715 20 HB2 LYS 3 HB2 LYS 3 49.164 9.834 4.373 21 HB3 LYS 3 HB1 LYS 3 47.601 9.009 4.183 22 HG2 LYS 3 HG2 LYS 3 47.486 11.429 3.618 23 HG3 LYS 3 HG1 LYS 3 46.429 11.003 4.985 24 HD2 LYS 3 HD2 LYS 3 48.000 11.883 6.588 25 HD3 LYS 3 HD1 LYS 3 49.260 12.064 5.343 26 HE2 LYS 3 HE2 LYS 3 48.029 14.213 5.989 27 HE3 LYS 3 HE1 LYS 3 48.054 13.833 4.249 28 HZ1 LYS 3 HZ1 LYS 3 45.854 13.065 4.327 29 HZ2 LYS 3 HZ2 LYS 3 45.838 14.493 5.247 30 HZ3 LYS 3 HZ3 LYS 3 45.832 12.981 6.022 31 H GLU 4 HN GLU 4 49.709 8.244 7.771 32 HA GLU 4 HA GLU 4 49.880 6.420 8.824 33 HB2 GLU 4 HB2 GLU 4 47.428 5.874 8.517 34 HB3 GLU 4 HB1 GLU 4 47.978 4.888 7.143 35 HG2 GLU 4 HG2 GLU 4 47.764 3.423 9.066 36 HG3 GLU 4 HG1 GLU 4 49.500 3.647 8.749 37 H LYS 5 HN LYS 5 51.771 7.328 7.563 38 HA LYS 5 HA LYS 5 53.679 6.342 6.423 39 HB2 LYS 5 HB2 LYS 5 52.753 4.063 7.736 40 HB3 LYS 5 HB1 LYS 5 52.504 3.597 6.039 41 HG2 LYS 5 HG2 LYS 5 54.927 4.384 5.632 42 HG3 LYS 5 HG1 LYS 5 55.102 4.415 7.400 43 HD2 LYS 5 HD2 LYS 5 54.274 1.995 5.732 44 HD3 LYS 5 HD1 LYS 5 55.874 2.251 6.464 45 HE2 LYS 5 HE2 LYS 5 53.221 1.757 7.861 46 HE3 LYS 5 HE1 LYS 5 54.730 0.828 7.992 47 HZ1 LYS 5 HZ1 LYS 5 55.692 3.029 8.867 48 HZ2 LYS 5 HZ2 LYS 5 54.715 2.105 9.904 49 HZ3 LYS 5 HZ3 LYS 5 54.077 3.476 9.131 50 H ILE 6 HN ILE 6 50.459 6.655 6.152 51 HA ILE 6 HA ILE 6 49.436 7.657 4.087 52 HB ILE 6 HB ILE 6 49.925 7.187 1.853 53 HG12 ILE 6 HG12 ILE 6 51.982 5.310 1.561 54 HG13 ILE 6 HG11 ILE 6 51.065 4.613 2.900 55 HG21 ILE 6 HG21 ILE 6 51.715 8.559 1.941 56 HG22 ILE 6 HG22 ILE 6 52.787 7.202 2.310 57 HG23 ILE 6 HG23 ILE 6 52.009 8.098 3.626 58 HD11 ILE 6 HD1 ILE 6 48.980 5.171 1.259 59 HD12 ILE 6 HD2 ILE 6 49.911 3.665 1.122 60 HD13 ILE 6 HD3 ILE 6 50.258 5.022 0.030 61 H ARG 7 HN ARG 7 47.484 7.318 4.310 62 HA ARG 7 HA ARG 7 45.934 5.523 2.926 63 HB2 ARG 7 HB2 ARG 7 47.303 3.970 5.080 64 HB3 ARG 7 HB1 ARG 7 45.562 3.722 4.995 65 HG2 ARG 7 HG2 ARG 7 45.625 2.776 2.854 66 HG3 ARG 7 HG1 ARG 7 47.142 3.580 2.409 67 HD2 ARG 7 HD2 ARG 7 48.449 2.078 3.741 68 HD3 ARG 7 HD1 ARG 7 47.011 1.466 4.593 69 HE ARG 7 HE ARG 7 46.640 0.004 2.774 70 HH11 ARG 7 HH11 ARG 7 46.272 0.414 0.353 71 HH12 ARG 7 HH12 ARG 7 47.738 0.709 -0.520 72 HH21 ARG 7 HH21 ARG 7 49.625 1.315 2.326 73 HH22 ARG 7 HH22 ARG 7 49.636 1.220 0.596 74 H LYS 8 HN LYS 8 46.165 7.915 5.013 75 HA LYS 8 HA LYS 8 43.662 7.230 6.410 76 HB2 LYS 8 HB2 LYS 8 45.520 8.504 7.600 77 HB3 LYS 8 HB1 LYS 8 45.067 9.899 6.581 78 HG2 LYS 8 HG2 LYS 8 42.792 9.860 7.465 79 HG3 LYS 8 HG1 LYS 8 43.146 8.388 8.402 80 HD2 LYS 8 HD2 LYS 8 44.753 9.563 9.781 81 HD3 LYS 8 HD1 LYS 8 44.657 11.010 8.749 82 HE2 LYS 8 HE2 LYS 8 42.340 9.845 10.355 83 HE3 LYS 8 HE1 LYS 8 43.307 11.262 10.830 84 HZ1 LYS 8 HZ1 LYS 8 41.621 12.289 9.731 85 HZ2 LYS 8 HZ2 LYS 8 41.323 10.980 8.689 86 HZ3 LYS 8 HZ3 LYS 8 42.642 12.012 8.406 87 H LYS 9 HN LYS 9 44.609 8.881 3.506 88 HA LYS 9 HA LYS 9 42.054 10.417 3.521 89 HB2 LYS 9 HB2 LYS 9 43.858 10.664 1.607 90 HB3 LYS 9 HB1 LYS 9 43.019 9.229 0.916 91 HG2 LYS 9 HG2 LYS 9 41.841 10.996 -0.087 92 HG3 LYS 9 HG1 LYS 9 40.835 10.688 1.343 93 HD2 LYS 9 HD2 LYS 9 41.948 12.541 2.546 94 HD3 LYS 9 HD1 LYS 9 43.011 12.822 1.147 95 HE2 LYS 9 HE2 LYS 9 41.089 14.401 1.178 96 HE3 LYS 9 HE1 LYS 9 41.057 13.349 -0.257 97 HZ1 LYS 9 HZ1 LYS 9 39.354 12.064 0.636 98 HZ2 LYS 9 HZ2 LYS 9 38.907 13.645 1.064 99 HZ3 LYS 9 HZ3 LYS 9 39.609 12.615 2.219 100 H LEU 10 HN LEU 10 43.140 7.235 3.372 101 HA LEU 10 HA LEU 10 41.031 5.650 3.963 102 HB2 LEU 10 HB2 LEU 10 39.625 6.809 2.246 103 HB3 LEU 10 HB1 LEU 10 40.921 6.472 1.033 104 HG LEU 10 HG LEU 10 40.409 3.999 1.362 105 HD11 LEU 10 HD11 LEU 10 38.490 5.098 3.438 106 HD12 LEU 10 HD12 LEU 10 39.682 3.785 3.601 107 HD13 LEU 10 HD13 LEU 10 38.198 3.523 2.661 108 HD21 LEU 10 HD21 LEU 10 37.764 5.434 0.924 109 HD22 LEU 10 HD22 LEU 10 38.371 3.964 0.127 110 HD23 LEU 10 HD23 LEU 10 39.080 5.547 -0.267 111 H LYS 11 HN LYS 11 42.617 6.533 1.127 112 HA LYS 11 HA LYS 11 44.333 4.272 0.859 113 HB2 LYS 11 HB2 LYS 11 43.167 5.940 -1.171 114 HB3 LYS 11 HB1 LYS 11 44.101 4.446 -1.501 115 HG2 LYS 11 HG2 LYS 11 42.158 3.329 -0.032 116 HG3 LYS 11 HG1 LYS 11 41.257 4.763 -0.583 117 HD2 LYS 11 HD2 LYS 11 41.835 4.193 -2.943 118 HD3 LYS 11 HD1 LYS 11 42.641 2.715 -2.362 119 HE2 LYS 11 HE2 LYS 11 39.714 3.401 -1.852 120 HE3 LYS 11 HE1 LYS 11 40.287 2.305 -3.131 121 HZ1 LYS 11 HZ1 LYS 11 39.747 0.953 -1.305 122 HZ2 LYS 11 HZ2 LYS 11 40.522 1.973 -0.190 123 HZ3 LYS 11 HZ3 LYS 11 41.439 1.054 -1.285 124 H ASN 12 HN ASN 12 43.640 6.868 1.407 125 HA ASN 12 HA ASN 12 45.040 8.932 1.877 126 HB2 ASN 12 HB2 ASN 12 47.097 7.433 2.261 127 HB3 ASN 12 HB1 ASN 12 47.393 7.619 0.542 128 HD21 ASN 12 HD21 ASN 12 45.939 10.449 1.101 129 HD22 ASN 12 HD22 ASN 12 47.327 11.426 1.591 130 H GLU 13 HN GLU 13 43.633 7.564 -0.280 131 HA GLU 13 HA GLU 13 43.054 7.981 -2.507 132 HB2 GLU 13 HB2 GLU 13 44.084 10.433 -1.901 133 HB3 GLU 13 HB1 GLU 13 45.426 9.830 -2.914 134 HG2 GLU 13 HG2 GLU 13 42.478 9.829 -3.789 135 HG3 GLU 13 HG1 GLU 13 43.607 11.143 -4.168 136 H ILE 14 HN ILE 14 44.900 5.963 -1.211 137 HA ILE 14 HA ILE 14 46.287 4.340 -2.151 138 HB ILE 14 HB ILE 14 46.993 6.049 -4.588 139 HG12 ILE 14 HG12 ILE 14 44.668 4.106 -4.155 140 HG13 ILE 14 HG11 ILE 14 44.567 5.781 -4.725 141 HG21 ILE 14 HG21 ILE 14 46.978 3.030 -4.236 142 HG22 ILE 14 HG22 ILE 14 48.393 4.029 -3.836 143 HG23 ILE 14 HG23 ILE 14 47.782 3.988 -5.501 144 HD11 ILE 14 HD1 ILE 14 46.021 5.008 -6.724 145 HD12 ILE 14 HD2 ILE 14 44.320 4.481 -6.693 146 HD13 ILE 14 HD3 ILE 14 45.610 3.353 -6.211 147 H LYS 15 HN LYS 15 47.130 7.846 -2.037 148 HA LYS 15 HA LYS 15 49.375 7.156 -0.326 149 HB2 LYS 15 HB2 LYS 15 50.182 6.525 -2.767 150 HB3 LYS 15 HB1 LYS 15 50.339 8.279 -2.920 151 HG2 LYS 15 HG2 LYS 15 52.214 8.377 -1.563 152 HG3 LYS 15 HG1 LYS 15 51.603 7.153 -0.435 153 HD2 LYS 15 HD2 LYS 15 52.257 5.350 -1.905 154 HD3 LYS 15 HD1 LYS 15 52.649 6.486 -3.216 155 HE2 LYS 15 HE2 LYS 15 54.432 7.487 -1.795 156 HE3 LYS 15 HE1 LYS 15 54.051 6.316 -0.511 157 HZ1 LYS 15 HZ1 LYS 15 54.363 4.780 -2.745 158 HZ2 LYS 15 HZ2 LYS 15 55.518 4.999 -1.519 159 HZ3 LYS 15 HZ3 LYS 15 55.570 5.957 -2.922 160 H LYS 16 HN LYS 16 47.756 9.360 -2.303 161 HA LYS 16 HA LYS 16 47.843 11.370 -0.639 162 HB2 LYS 16 HB2 LYS 16 50.347 11.338 -1.634 163 HB3 LYS 16 HB1 LYS 16 49.516 12.616 -2.520 164 HG2 LYS 16 HG2 LYS 16 50.488 13.743 -0.668 165 HG3 LYS 16 HG1 LYS 16 48.787 13.527 -0.205 166 HD2 LYS 16 HD2 LYS 16 49.343 11.610 1.177 167 HD3 LYS 16 HD1 LYS 16 51.026 11.621 0.601 168 HE2 LYS 16 HE2 LYS 16 49.684 13.883 2.146 169 HE3 LYS 16 HE1 LYS 16 50.802 12.686 2.843 170 HZ1 LYS 16 HZ1 LYS 16 52.365 13.461 0.972 171 HZ2 LYS 16 HZ2 LYS 16 52.167 14.466 2.327 172 HZ3 LYS 16 HZ3 LYS 16 51.358 14.823 0.876 173 H LYS 17 HN LYS 17 48.557 11.115 -3.283 174 HA LYS 17 HA LYS 17 45.883 11.408 -4.593 175 HB2 LYS 17 HB2 LYS 17 48.181 13.234 -5.352 176 HB3 LYS 17 HB1 LYS 17 46.674 13.060 -6.251 177 HG2 LYS 17 HG2 LYS 17 46.864 14.093 -3.383 178 HG3 LYS 17 HG1 LYS 17 46.729 15.124 -4.821 179 HD2 LYS 17 HD2 LYS 17 44.587 13.728 -5.370 180 HD3 LYS 17 HD1 LYS 17 44.677 13.197 -3.674 181 HE2 LYS 17 HE2 LYS 17 43.223 15.140 -3.780 182 HE3 LYS 17 HE1 LYS 17 44.740 15.625 -2.986 183 HZ1 LYS 17 HZ1 LYS 17 43.978 17.201 -4.710 184 HZ2 LYS 17 HZ2 LYS 17 44.164 15.987 -5.884 185 HZ3 LYS 17 HZ3 LYS 17 45.516 16.566 -5.034 186 H GLY 18 HN GLY 18 48.494 10.098 -3.640 187 HA2 GLY 18 HA1 GLY 18 49.183 7.974 -4.907 188 HA3 GLY 18 HA2 GLY 18 49.224 8.963 -6.394 189 H ARG 19 HN ARG 19 50.004 10.499 -3.494 190 HA ARG 19 HA ARG 19 52.424 10.512 -2.577 191 HB2 ARG 19 HB2 ARG 19 52.837 11.045 -5.599 192 HB3 ARG 19 HB1 ARG 19 54.045 11.450 -4.333 193 HG2 ARG 19 HG2 ARG 19 53.172 8.605 -4.106 194 HG3 ARG 19 HG1 ARG 19 53.989 8.978 -5.642 195 HD2 ARG 19 HD2 ARG 19 55.527 8.231 -3.769 196 HD3 ARG 19 HD1 ARG 19 55.942 9.807 -4.483 197 HE ARG 19 HE ARG 19 54.186 10.023 -2.149 198 HH11 ARG 19 HH11 ARG 19 55.571 12.230 -1.871 199 HH12 ARG 19 HH12 ARG 19 57.091 11.883 -1.118 200 HH21 ARG 19 HH21 ARG 19 56.950 8.484 -1.796 201 HH22 ARG 19 HH22 ARG 19 57.872 9.762 -1.076 202 H LYS 20 HN LYS 20 50.571 11.979 -5.003 203 HA LYS 20 HA LYS 20 50.331 13.970 -5.841 204 HB2 LYS 20 HB2 LYS 20 49.779 15.719 -4.861 205 HB3 LYS 20 HB1 LYS 20 49.165 14.479 -3.792 206 HG2 LYS 20 HG2 LYS 20 51.420 14.961 -2.436 207 HG3 LYS 20 HG1 LYS 20 51.352 16.510 -3.290 208 HD2 LYS 20 HD2 LYS 20 49.068 15.391 -1.618 209 HD3 LYS 20 HD1 LYS 20 50.260 16.571 -1.028 210 HE2 LYS 20 HE2 LYS 20 48.373 16.951 -3.394 211 HE3 LYS 20 HE1 LYS 20 48.235 17.734 -1.803 212 HZ1 LYS 20 HZ1 LYS 20 49.322 19.296 -3.112 213 HZ2 LYS 20 HZ2 LYS 20 50.287 18.140 -3.897 214 HZ3 LYS 20 HZ3 LYS 20 50.598 18.553 -2.278 215 H ALA 21 HN ALA 21 51.668 13.338 -6.542 216 HA ALA 21 HA ALA 21 53.782 14.831 -7.321 217 HB1 ALA 21 HB1 ALA 21 55.759 13.818 -6.546 218 HB2 ALA 21 HB2 ALA 21 54.948 12.253 -6.316 219 HB3 ALA 21 HB3 ALA 21 54.758 13.545 -5.104 220 H VAL 22 HN VAL 22 51.372 13.089 -6.765 221 HA VAL 22 HA VAL 22 51.573 11.993 -9.609 222 HB VAL 22 HB VAL 22 50.166 10.778 -7.206 223 HG11 VAL 22 HG11 VAL 22 48.411 10.840 -8.851 224 HG12 VAL 22 HG12 VAL 22 49.110 9.216 -9.004 225 HG13 VAL 22 HG13 VAL 22 49.544 10.485 -10.174 226 HG21 VAL 22 HG21 VAL 22 51.244 8.695 -8.046 227 HG22 VAL 22 HG22 VAL 22 52.458 9.971 -7.768 228 HG23 VAL 22 HG23 VAL 22 51.909 9.606 -9.418 229 H ILE 23 HN ILE 23 51.124 14.391 -7.708 230 HA ILE 23 HA ILE 23 49.135 15.387 -9.493 231 HB ILE 23 HB ILE 23 48.196 14.960 -6.708 232 HG12 ILE 23 HG12 ILE 23 47.109 14.045 -8.869 233 HG13 ILE 23 HG11 ILE 23 46.027 14.768 -7.665 234 HG21 ILE 23 HG21 ILE 23 48.493 17.312 -6.446 235 HG22 ILE 23 HG22 ILE 23 46.760 17.060 -6.762 236 HG23 ILE 23 HG23 ILE 23 47.825 17.645 -8.062 237 HD11 ILE 23 HD1 ILE 23 45.663 15.452 -10.130 238 HD12 ILE 23 HD2 ILE 23 47.148 16.413 -9.966 239 HD13 ILE 23 HD3 ILE 23 45.747 16.759 -8.930 240 H ALA 24 HN ALA 24 51.189 15.577 -6.910 241 HA ALA 24 HA ALA 24 51.799 18.334 -7.702 242 HB1 ALA 24 HB1 ALA 24 53.436 18.435 -6.037 243 HB2 ALA 24 HB2 ALA 24 53.740 16.693 -6.097 244 HB3 ALA 24 HB3 ALA 24 52.283 17.313 -5.296 245 H TRP 25 HN TRP 25 51.695 15.142 -8.595 246 HA TRP 25 HA TRP 25 52.728 14.095 -10.468 247 HB2 TRP 25 HB2 TRP 25 51.836 16.127 -11.589 248 HB3 TRP 25 HB1 TRP 25 53.410 16.920 -11.348 249 HD1 TRP 25 HD1 TRP 25 52.168 13.541 -12.819 250 HE1 TRP 25 HE1 TRP 25 53.541 13.011 -14.965 251 HE3 TRP 25 HE3 TRP 25 55.274 17.610 -12.816 252 HZ2 TRP 25 HZ2 TRP 25 55.695 14.215 -16.451 253 HZ3 TRP 25 HZ3 TRP 25 56.979 17.899 -14.606 254 HH2 TRP 25 HH2 TRP 25 57.193 16.208 -16.422 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 47.149 13.783 10.474 2 H2 ALA 1 HT2 ALA 1 47.439 14.841 9.177 3 H3 ALA 1 HT3 ALA 1 47.982 15.234 10.739 4 HA ALA 1 HA ALA 1 49.854 14.183 10.456 5 HB1 ALA 1 HB1 ALA 1 49.873 11.787 9.786 6 HB2 ALA 1 HB2 ALA 1 48.126 11.898 9.450 7 HB3 ALA 1 HB3 ALA 1 48.729 12.123 11.114 8 H TRP 2 HN TRP 2 49.434 11.995 8.030 9 HA TRP 2 HA TRP 2 49.855 13.868 5.821 10 HB2 TRP 2 HB2 TRP 2 51.941 12.448 7.078 11 HB3 TRP 2 HB1 TRP 2 51.659 11.673 5.507 12 HD1 TRP 2 HD1 TRP 2 51.582 15.442 6.460 13 HE1 TRP 2 HE1 TRP 2 53.201 16.737 4.894 14 HE3 TRP 2 HE3 TRP 2 53.474 11.490 3.812 15 HZ2 TRP 2 HZ2 TRP 2 55.058 16.110 2.784 16 HZ3 TRP 2 HZ3 TRP 2 55.169 11.863 2.028 17 HH2 TRP 2 HH2 TRP 2 55.964 14.168 1.513 18 H LYS 3 HN LYS 3 47.401 12.625 6.156 19 HA LYS 3 HA LYS 3 46.088 10.856 5.155 20 HB2 LYS 3 HB2 LYS 3 48.344 11.059 3.147 21 HB3 LYS 3 HB1 LYS 3 47.174 9.733 3.088 22 HG2 LYS 3 HG2 LYS 3 46.497 11.637 1.655 23 HG3 LYS 3 HG1 LYS 3 45.327 11.337 2.961 24 HD2 LYS 3 HD2 LYS 3 46.179 13.172 4.270 25 HD3 LYS 3 HD1 LYS 3 47.577 13.375 3.187 26 HE2 LYS 3 HE2 LYS 3 44.676 13.714 2.315 27 HE3 LYS 3 HE1 LYS 3 45.733 15.059 2.804 28 HZ1 LYS 3 HZ1 LYS 3 47.297 14.342 1.052 29 HZ2 LYS 3 HZ2 LYS 3 45.791 14.827 0.433 30 HZ3 LYS 3 HZ3 LYS 3 46.178 13.176 0.541 31 H GLU 4 HN GLU 4 48.515 11.072 6.924 32 HA GLU 4 HA GLU 4 49.103 9.916 8.606 33 HB2 GLU 4 HB2 GLU 4 47.111 8.395 8.414 34 HB3 GLU 4 HB1 GLU 4 48.189 7.316 7.501 35 HG2 GLU 4 HG2 GLU 4 49.647 7.039 9.420 36 HG3 GLU 4 HG1 GLU 4 48.782 8.306 10.323 37 H LYS 5 HN LYS 5 50.809 11.014 7.239 38 HA LYS 5 HA LYS 5 53.100 10.527 6.599 39 HB2 LYS 5 HB2 LYS 5 52.931 7.633 7.527 40 HB3 LYS 5 HB1 LYS 5 54.326 8.724 7.476 41 HG2 LYS 5 HG2 LYS 5 53.057 10.110 9.293 42 HG3 LYS 5 HG1 LYS 5 52.066 8.648 9.506 43 HD2 LYS 5 HD2 LYS 5 54.167 7.324 9.868 44 HD3 LYS 5 HD1 LYS 5 55.095 8.841 9.785 45 HE2 LYS 5 HE2 LYS 5 54.684 8.348 12.126 46 HE3 LYS 5 HE1 LYS 5 53.660 9.730 11.671 47 HZ1 LYS 5 HZ1 LYS 5 52.815 7.390 12.814 48 HZ2 LYS 5 HZ2 LYS 5 52.377 7.218 11.181 49 HZ3 LYS 5 HZ3 LYS 5 51.831 8.556 12.074 50 H ILE 6 HN ILE 6 50.120 9.420 6.108 51 HA ILE 6 HA ILE 6 49.315 9.113 3.741 52 HB ILE 6 HB ILE 6 50.285 7.748 2.054 53 HG12 ILE 6 HG12 ILE 6 52.857 6.897 2.871 54 HG13 ILE 6 HG11 ILE 6 51.875 6.597 4.310 55 HG21 ILE 6 HG21 ILE 6 52.852 9.016 2.387 56 HG22 ILE 6 HG22 ILE 6 51.659 10.079 3.149 57 HG23 ILE 6 HG23 ILE 6 51.460 9.593 1.461 58 HD11 ILE 6 HD1 ILE 6 51.512 5.493 1.509 59 HD12 ILE 6 HD2 ILE 6 50.194 5.457 2.701 60 HD13 ILE 6 HD3 ILE 6 51.718 4.604 3.036 61 H ARG 7 HN ARG 7 47.460 8.160 3.778 62 HA ARG 7 HA ARG 7 46.277 6.059 3.521 63 HB2 ARG 7 HB2 ARG 7 48.248 4.614 3.959 64 HB3 ARG 7 HB1 ARG 7 47.919 4.826 5.691 65 HG2 ARG 7 HG2 ARG 7 45.692 3.839 5.416 66 HG3 ARG 7 HG1 ARG 7 45.939 3.723 3.658 67 HD2 ARG 7 HD2 ARG 7 47.707 2.108 3.931 68 HD3 ARG 7 HD1 ARG 7 47.762 2.372 5.690 69 HE ARG 7 HE ARG 7 45.128 1.526 5.039 70 HH11 ARG 7 HH11 ARG 7 47.543 0.035 3.453 71 HH12 ARG 7 HH12 ARG 7 47.492 -1.466 4.317 72 HH21 ARG 7 HH21 ARG 7 45.412 -0.261 6.816 73 HH22 ARG 7 HH22 ARG 7 46.285 -1.633 6.221 74 H LYS 8 HN LYS 8 45.116 7.801 4.148 75 HA LYS 8 HA LYS 8 43.473 6.895 6.236 76 HB2 LYS 8 HB2 LYS 8 44.865 8.064 7.826 77 HB3 LYS 8 HB1 LYS 8 45.031 9.465 6.749 78 HG2 LYS 8 HG2 LYS 8 42.733 10.103 7.073 79 HG3 LYS 8 HG1 LYS 8 42.347 8.567 7.881 80 HD2 LYS 8 HD2 LYS 8 44.495 10.363 9.064 81 HD3 LYS 8 HD1 LYS 8 42.785 10.775 9.319 82 HE2 LYS 8 HE2 LYS 8 44.101 8.114 10.040 83 HE3 LYS 8 HE1 LYS 8 43.627 9.393 11.180 84 HZ1 LYS 8 HZ1 LYS 8 41.405 8.868 9.604 85 HZ2 LYS 8 HZ2 LYS 8 41.627 8.473 11.241 86 HZ3 LYS 8 HZ3 LYS 8 42.034 7.352 10.031 87 H LYS 9 HN LYS 9 44.340 8.599 3.519 88 HA LYS 9 HA LYS 9 41.728 9.986 3.319 89 HB2 LYS 9 HB2 LYS 9 43.821 10.162 1.618 90 HB3 LYS 9 HB1 LYS 9 43.018 8.737 0.887 91 HG2 LYS 9 HG2 LYS 9 42.009 10.507 -0.285 92 HG3 LYS 9 HG1 LYS 9 40.841 10.246 1.030 93 HD2 LYS 9 HD2 LYS 9 41.893 12.095 2.323 94 HD3 LYS 9 HD1 LYS 9 43.058 12.348 1.003 95 HE2 LYS 9 HE2 LYS 9 41.099 13.927 0.923 96 HE3 LYS 9 HE1 LYS 9 41.265 12.930 -0.542 97 HZ1 LYS 9 HZ1 LYS 9 39.565 11.471 0.237 98 HZ2 LYS 9 HZ2 LYS 9 38.968 13.056 0.356 99 HZ3 LYS 9 HZ3 LYS 9 39.496 12.237 1.748 100 H LEU 10 HN LEU 10 43.156 6.881 3.456 101 HA LEU 10 HA LEU 10 41.439 4.973 3.912 102 HB2 LEU 10 HB2 LEU 10 39.650 6.062 2.571 103 HB3 LEU 10 HB1 LEU 10 40.772 5.987 1.148 104 HG LEU 10 HG LEU 10 40.559 3.520 1.137 105 HD11 LEU 10 HD11 LEU 10 39.178 3.958 3.807 106 HD12 LEU 10 HD12 LEU 10 40.538 2.876 3.418 107 HD13 LEU 10 HD13 LEU 10 38.899 2.477 2.859 108 HD21 LEU 10 HD21 LEU 10 38.231 3.277 0.577 109 HD22 LEU 10 HD22 LEU 10 38.671 4.953 0.173 110 HD23 LEU 10 HD23 LEU 10 37.764 4.605 1.664 111 H LYS 11 HN LYS 11 42.285 6.104 0.823 112 HA LYS 11 HA LYS 11 43.971 3.971 0.023 113 HB2 LYS 11 HB2 LYS 11 42.635 6.079 -1.379 114 HB3 LYS 11 HB1 LYS 11 43.500 4.742 -2.203 115 HG2 LYS 11 HG2 LYS 11 41.765 3.220 -0.867 116 HG3 LYS 11 HG1 LYS 11 40.807 4.718 -0.830 117 HD2 LYS 11 HD2 LYS 11 40.936 4.882 -3.292 118 HD3 LYS 11 HD1 LYS 11 41.912 3.394 -3.343 119 HE2 LYS 11 HE2 LYS 11 40.049 2.133 -2.304 120 HE3 LYS 11 HE1 LYS 11 39.070 3.619 -2.257 121 HZ1 LYS 11 HZ1 LYS 11 39.679 1.878 -4.482 122 HZ2 LYS 11 HZ2 LYS 11 39.874 3.529 -4.830 123 HZ3 LYS 11 HZ3 LYS 11 38.382 2.948 -4.262 124 H ASN 12 HN ASN 12 43.522 6.389 1.242 125 HA ASN 12 HA ASN 12 45.084 8.297 1.793 126 HB2 ASN 12 HB2 ASN 12 47.531 7.679 0.494 127 HB3 ASN 12 HB1 ASN 12 47.254 7.681 2.170 128 HD21 ASN 12 HD21 ASN 12 49.180 6.009 0.761 129 HD22 ASN 12 HD22 ASN 12 48.693 4.332 1.020 130 H GLU 13 HN GLU 13 43.543 7.367 -0.539 131 HA GLU 13 HA GLU 13 42.949 8.188 -2.620 132 HB2 GLU 13 HB2 GLU 13 44.038 10.451 -1.588 133 HB3 GLU 13 HB1 GLU 13 45.356 10.039 -2.712 134 HG2 GLU 13 HG2 GLU 13 42.407 10.268 -3.524 135 HG3 GLU 13 HG1 GLU 13 43.584 11.586 -3.692 136 H ILE 14 HN ILE 14 44.578 5.898 -1.819 137 HA ILE 14 HA ILE 14 45.928 4.419 -2.960 138 HB ILE 14 HB ILE 14 46.595 6.420 -5.173 139 HG12 ILE 14 HG12 ILE 14 44.226 4.508 -4.902 140 HG13 ILE 14 HG11 ILE 14 44.150 6.264 -5.144 141 HG21 ILE 14 HG21 ILE 14 47.934 4.263 -4.806 142 HG22 ILE 14 HG22 ILE 14 47.219 4.477 -6.415 143 HG23 ILE 14 HG23 ILE 14 46.450 3.387 -5.237 144 HD11 ILE 14 HD1 ILE 14 43.737 5.379 -7.300 145 HD12 ILE 14 HD2 ILE 14 44.986 4.124 -7.121 146 HD13 ILE 14 HD3 ILE 14 45.460 5.825 -7.347 147 H LYS 15 HN LYS 15 46.868 7.788 -2.201 148 HA LYS 15 HA LYS 15 49.185 6.872 -0.746 149 HB2 LYS 15 HB2 LYS 15 49.678 6.936 -3.552 150 HB3 LYS 15 HB1 LYS 15 50.434 8.384 -2.867 151 HG2 LYS 15 HG2 LYS 15 51.739 7.037 -1.301 152 HG3 LYS 15 HG1 LYS 15 50.886 5.557 -1.803 153 HD2 LYS 15 HD2 LYS 15 51.770 5.844 -4.111 154 HD3 LYS 15 HD1 LYS 15 52.658 7.292 -3.578 155 HE2 LYS 15 HE2 LYS 15 53.933 5.944 -1.958 156 HE3 LYS 15 HE1 LYS 15 53.019 4.490 -2.428 157 HZ1 LYS 15 HZ1 LYS 15 54.027 5.687 -4.752 158 HZ2 LYS 15 HZ2 LYS 15 54.443 4.185 -4.078 159 HZ3 LYS 15 HZ3 LYS 15 55.304 5.583 -3.642 160 H LYS 16 HN LYS 16 47.614 9.401 -2.388 161 HA LYS 16 HA LYS 16 47.932 11.175 -0.486 162 HB2 LYS 16 HB2 LYS 16 50.312 11.069 -1.889 163 HB3 LYS 16 HB1 LYS 16 49.567 12.654 -2.141 164 HG2 LYS 16 HG2 LYS 16 50.198 11.424 0.585 165 HG3 LYS 16 HG1 LYS 16 51.172 12.662 -0.231 166 HD2 LYS 16 HD2 LYS 16 48.847 13.990 -0.308 167 HD3 LYS 16 HD1 LYS 16 48.423 12.901 1.028 168 HE2 LYS 16 HE2 LYS 16 50.778 14.828 0.914 169 HE3 LYS 16 HE1 LYS 16 49.361 14.919 1.987 170 HZ1 LYS 16 HZ1 LYS 16 51.712 13.200 2.142 171 HZ2 LYS 16 HZ2 LYS 16 50.229 12.478 2.551 172 HZ3 LYS 16 HZ3 LYS 16 50.762 13.860 3.382 173 H LYS 17 HN LYS 17 48.519 11.201 -3.175 174 HA LYS 17 HA LYS 17 45.812 11.994 -4.246 175 HB2 LYS 17 HB2 LYS 17 48.343 13.476 -5.029 176 HB3 LYS 17 HB1 LYS 17 46.760 13.662 -5.790 177 HG2 LYS 17 HG2 LYS 17 47.331 14.286 -2.855 178 HG3 LYS 17 HG1 LYS 17 47.293 15.502 -4.144 179 HD2 LYS 17 HD2 LYS 17 44.902 14.575 -4.662 180 HD3 LYS 17 HD1 LYS 17 45.005 13.829 -3.051 181 HE2 LYS 17 HE2 LYS 17 43.908 16.034 -2.917 182 HE3 LYS 17 HE1 LYS 17 45.461 16.051 -2.050 183 HZ1 LYS 17 HZ1 LYS 17 46.495 17.159 -3.851 184 HZ2 LYS 17 HZ2 LYS 17 45.044 17.992 -3.554 185 HZ3 LYS 17 HZ3 LYS 17 45.162 16.929 -4.875 186 H GLY 18 HN GLY 18 48.193 10.153 -3.639 187 HA2 GLY 18 HA1 GLY 18 48.231 8.095 -5.291 188 HA3 GLY 18 HA2 GLY 18 48.664 9.306 -6.540 189 H ARG 19 HN ARG 19 49.856 10.888 -4.417 190 HA ARG 19 HA ARG 19 52.164 9.817 -3.215 191 HB2 ARG 19 HB2 ARG 19 52.613 9.233 -5.799 192 HB3 ARG 19 HB1 ARG 19 52.840 11.009 -5.967 193 HG2 ARG 19 HG2 ARG 19 54.696 10.949 -4.410 194 HG3 ARG 19 HG1 ARG 19 54.312 9.309 -3.859 195 HD2 ARG 19 HD2 ARG 19 56.220 9.863 -5.779 196 HD3 ARG 19 HD1 ARG 19 55.372 8.306 -5.642 197 HE ARG 19 HE ARG 19 53.744 9.956 -7.255 198 HH11 ARG 19 HH11 ARG 19 55.851 7.459 -7.551 199 HH12 ARG 19 HH12 ARG 19 56.439 7.862 -9.129 200 HH21 ARG 19 HH21 ARG 19 54.961 10.999 -9.171 201 HH22 ARG 19 HH22 ARG 19 55.936 9.866 -10.046 202 H LYS 20 HN LYS 20 50.405 12.031 -5.047 203 HA LYS 20 HA LYS 20 50.537 14.155 -5.570 204 HB2 LYS 20 HB2 LYS 20 50.591 15.801 -4.191 205 HB3 LYS 20 HB1 LYS 20 49.587 14.548 -3.508 206 HG2 LYS 20 HG2 LYS 20 50.766 14.569 -1.513 207 HG3 LYS 20 HG1 LYS 20 52.281 14.310 -2.378 208 HD2 LYS 20 HD2 LYS 20 52.519 16.370 -1.179 209 HD3 LYS 20 HD1 LYS 20 52.272 16.822 -2.876 210 HE2 LYS 20 HE2 LYS 20 49.851 17.184 -2.421 211 HE3 LYS 20 HE1 LYS 20 50.127 16.765 -0.713 212 HZ1 LYS 20 HZ1 LYS 20 50.499 18.944 -0.479 213 HZ2 LYS 20 HZ2 LYS 20 50.737 19.201 -2.141 214 HZ3 LYS 20 HZ3 LYS 20 52.016 18.637 -1.174 215 H ALA 21 HN ALA 21 51.741 13.264 -6.428 216 HA ALA 21 HA ALA 21 53.909 14.597 -7.281 217 HB1 ALA 21 HB1 ALA 21 54.962 13.111 -5.243 218 HB2 ALA 21 HB2 ALA 21 55.858 13.400 -6.751 219 HB3 ALA 21 HB3 ALA 21 54.950 11.891 -6.536 220 H VAL 22 HN VAL 22 51.400 13.238 -6.678 221 HA VAL 22 HA VAL 22 51.221 12.193 -9.530 222 HB VAL 22 HB VAL 22 49.795 11.130 -7.053 223 HG11 VAL 22 HG11 VAL 22 48.468 9.764 -8.831 224 HG12 VAL 22 HG12 VAL 22 49.059 10.955 -10.010 225 HG13 VAL 22 HG13 VAL 22 48.028 11.475 -8.663 226 HG21 VAL 22 HG21 VAL 22 51.082 9.554 -9.328 227 HG22 VAL 22 HG22 VAL 22 50.678 8.986 -7.693 228 HG23 VAL 22 HG23 VAL 22 52.029 10.110 -7.935 229 H ILE 23 HN ILE 23 51.189 14.521 -7.360 230 HA ILE 23 HA ILE 23 49.243 15.865 -8.992 231 HB ILE 23 HB ILE 23 48.487 15.392 -6.165 232 HG12 ILE 23 HG12 ILE 23 47.114 14.795 -8.268 233 HG13 ILE 23 HG11 ILE 23 46.241 15.583 -6.938 234 HG21 ILE 23 HG21 ILE 23 47.370 17.669 -5.956 235 HG22 ILE 23 HG22 ILE 23 48.396 18.199 -7.310 236 HG23 ILE 23 HG23 ILE 23 49.141 17.659 -5.788 237 HD11 ILE 23 HD1 ILE 23 46.153 17.671 -8.061 238 HD12 ILE 23 HD2 ILE 23 45.805 16.473 -9.328 239 HD13 ILE 23 HD3 ILE 23 47.417 17.210 -9.222 240 H ALA 24 HN ALA 24 51.533 15.649 -6.617 241 HA ALA 24 HA ALA 24 52.441 18.333 -7.373 242 HB1 ALA 24 HB1 ALA 24 54.213 18.133 -5.859 243 HB2 ALA 24 HB2 ALA 24 54.265 16.370 -6.008 244 HB3 ALA 24 HB3 ALA 24 52.984 17.142 -5.059 245 H TRP 25 HN TRP 25 51.810 15.223 -8.335 246 HA TRP 25 HA TRP 25 52.526 14.096 -10.301 247 HB2 TRP 25 HB2 TRP 25 51.802 16.283 -11.284 248 HB3 TRP 25 HB1 TRP 25 53.499 16.818 -11.232 249 HD1 TRP 25 HD1 TRP 25 51.660 13.627 -12.488 250 HE1 TRP 25 HE1 TRP 25 52.639 12.953 -14.801 251 HE3 TRP 25 HE3 TRP 25 55.148 17.340 -13.002 252 HZ2 TRP 25 HZ2 TRP 25 54.666 13.919 -16.605 253 HZ3 TRP 25 HZ3 TRP 25 56.593 17.443 -15.028 254 HH2 TRP 25 HH2 TRP 25 56.356 15.737 -16.827 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 50.411 11.613 12.657 2 H2 ALA 1 HT2 ALA 1 49.810 12.340 11.244 3 H3 ALA 1 HT3 ALA 1 51.377 12.703 11.790 4 HA ALA 1 HA ALA 1 52.125 10.518 11.364 5 HB1 ALA 1 HB1 ALA 1 49.767 9.590 11.910 6 HB2 ALA 1 HB2 ALA 1 50.719 8.777 10.647 7 HB3 ALA 1 HB3 ALA 1 49.398 9.891 10.192 8 H TRP 2 HN TRP 2 50.465 9.708 8.728 9 HA TRP 2 HA TRP 2 51.178 11.926 7.015 10 HB2 TRP 2 HB2 TRP 2 53.172 10.126 7.474 11 HB3 TRP 2 HB1 TRP 2 52.393 9.444 6.030 12 HD1 TRP 2 HD1 TRP 2 51.621 12.249 4.666 13 HE1 TRP 2 HE1 TRP 2 53.478 13.689 3.551 14 HE3 TRP 2 HE3 TRP 2 55.699 10.321 7.086 15 HZ2 TRP 2 HZ2 TRP 2 56.342 13.941 3.712 16 HZ3 TRP 2 HZ3 TRP 2 57.983 11.176 6.589 17 HH2 TRP 2 HH2 TRP 2 58.309 12.982 4.905 18 H LYS 3 HN LYS 3 48.561 11.319 7.208 19 HA LYS 3 HA LYS 3 46.808 10.166 6.013 20 HB2 LYS 3 HB2 LYS 3 48.946 10.230 3.898 21 HB3 LYS 3 HB1 LYS 3 47.485 9.244 3.699 22 HG2 LYS 3 HG2 LYS 3 47.240 11.491 2.683 23 HG3 LYS 3 HG1 LYS 3 46.079 11.227 4.008 24 HD2 LYS 3 HD2 LYS 3 47.383 12.542 5.540 25 HD3 LYS 3 HD1 LYS 3 48.775 12.580 4.432 26 HE2 LYS 3 HE2 LYS 3 46.063 13.762 3.710 27 HE3 LYS 3 HE1 LYS 3 47.351 14.707 4.497 28 HZ1 LYS 3 HZ1 LYS 3 48.130 15.045 2.455 29 HZ2 LYS 3 HZ2 LYS 3 47.115 13.869 1.768 30 HZ3 LYS 3 HZ3 LYS 3 48.608 13.417 2.439 31 H GLU 4 HN GLU 4 49.093 9.424 7.656 32 HA GLU 4 HA GLU 4 49.440 7.829 8.975 33 HB2 GLU 4 HB2 GLU 4 47.118 6.928 8.644 34 HB3 GLU 4 HB1 GLU 4 47.861 5.818 7.470 35 HG2 GLU 4 HG2 GLU 4 49.301 4.886 9.241 36 HG3 GLU 4 HG1 GLU 4 48.630 6.041 10.416 37 H LYS 5 HN LYS 5 51.350 8.704 7.814 38 HA LYS 5 HA LYS 5 53.433 7.841 7.001 39 HB2 LYS 5 HB2 LYS 5 52.544 4.941 7.293 40 HB3 LYS 5 HB1 LYS 5 54.169 5.640 7.408 41 HG2 LYS 5 HG2 LYS 5 53.287 6.869 9.531 42 HG3 LYS 5 HG1 LYS 5 51.940 5.707 9.476 43 HD2 LYS 5 HD2 LYS 5 53.690 3.852 9.380 44 HD3 LYS 5 HD1 LYS 5 54.909 5.096 9.746 45 HE2 LYS 5 HE2 LYS 5 53.675 5.687 11.819 46 HE3 LYS 5 HE1 LYS 5 52.475 4.423 11.457 47 HZ1 LYS 5 HZ1 LYS 5 53.833 2.857 12.224 48 HZ2 LYS 5 HZ2 LYS 5 54.803 4.098 12.861 49 HZ3 LYS 5 HZ3 LYS 5 55.159 3.436 11.337 50 H ILE 6 HN ILE 6 50.287 7.686 6.367 51 HA ILE 6 HA ILE 6 49.432 8.051 3.978 52 HB ILE 6 HB ILE 6 51.544 6.010 3.107 53 HG12 ILE 6 HG12 ILE 6 51.327 8.867 2.087 54 HG13 ILE 6 HG11 ILE 6 52.091 8.596 3.661 55 HG21 ILE 6 HG21 ILE 6 49.292 7.326 1.618 56 HG22 ILE 6 HG22 ILE 6 49.713 5.613 1.691 57 HG23 ILE 6 HG23 ILE 6 50.731 6.742 0.783 58 HD11 ILE 6 HD1 ILE 6 52.950 7.427 0.979 59 HD12 ILE 6 HD2 ILE 6 53.631 6.914 2.539 60 HD13 ILE 6 HD3 ILE 6 53.835 8.591 1.987 61 H ARG 7 HN ARG 7 47.506 7.539 4.101 62 HA ARG 7 HA ARG 7 45.937 5.751 3.181 63 HB2 ARG 7 HB2 ARG 7 47.471 3.941 5.087 64 HB3 ARG 7 HB1 ARG 7 45.847 3.562 4.502 65 HG2 ARG 7 HG2 ARG 7 46.510 3.272 2.282 66 HG3 ARG 7 HG1 ARG 7 47.961 4.272 2.456 67 HD2 ARG 7 HD2 ARG 7 48.369 1.756 2.283 68 HD3 ARG 7 HD1 ARG 7 49.107 2.547 3.696 69 HE ARG 7 HE ARG 7 46.602 1.694 4.588 70 HH11 ARG 7 HH11 ARG 7 49.360 0.290 3.066 71 HH12 ARG 7 HH12 ARG 7 49.153 -1.256 3.819 72 HH21 ARG 7 HH21 ARG 7 46.321 -0.313 5.585 73 HH22 ARG 7 HH22 ARG 7 47.432 -1.598 5.245 74 H LYS 8 HN LYS 8 45.595 7.935 4.534 75 HA LYS 8 HA LYS 8 43.663 6.969 6.573 76 HB2 LYS 8 HB2 LYS 8 45.747 8.423 7.477 77 HB3 LYS 8 HB1 LYS 8 44.748 9.766 6.895 78 HG2 LYS 8 HG2 LYS 8 42.821 8.711 8.228 79 HG3 LYS 8 HG1 LYS 8 44.051 7.676 8.992 80 HD2 LYS 8 HD2 LYS 8 44.056 10.731 8.981 81 HD3 LYS 8 HD1 LYS 8 43.602 9.701 10.359 82 HE2 LYS 8 HE2 LYS 8 45.961 8.629 10.083 83 HE3 LYS 8 HE1 LYS 8 46.333 10.053 9.081 84 HZ1 LYS 8 HZ1 LYS 8 46.889 10.303 11.475 85 HZ2 LYS 8 HZ2 LYS 8 45.232 10.208 11.840 86 HZ3 LYS 8 HZ3 LYS 8 45.823 11.488 10.892 87 H LYS 9 HN LYS 9 44.474 8.768 3.728 88 HA LYS 9 HA LYS 9 41.942 10.312 3.835 89 HB2 LYS 9 HB2 LYS 9 43.696 10.501 1.896 90 HB3 LYS 9 HB1 LYS 9 42.808 9.071 1.208 91 HG2 LYS 9 HG2 LYS 9 40.676 10.511 1.568 92 HG3 LYS 9 HG1 LYS 9 41.765 11.886 1.844 93 HD2 LYS 9 HD2 LYS 9 42.855 11.292 -0.399 94 HD3 LYS 9 HD1 LYS 9 41.474 10.196 -0.662 95 HE2 LYS 9 HE2 LYS 9 39.916 12.117 -0.333 96 HE3 LYS 9 HE1 LYS 9 41.319 13.200 -0.157 97 HZ1 LYS 9 HZ1 LYS 9 41.467 13.325 -2.350 98 HZ2 LYS 9 HZ2 LYS 9 40.088 12.347 -2.514 99 HZ3 LYS 9 HZ3 LYS 9 41.633 11.643 -2.483 100 H LEU 10 HN LEU 10 42.946 7.108 3.568 101 HA LEU 10 HA LEU 10 40.656 5.635 4.105 102 HB2 LEU 10 HB2 LEU 10 40.746 6.788 1.312 103 HB3 LEU 10 HB1 LEU 10 40.224 5.103 1.452 104 HG LEU 10 HG LEU 10 38.833 7.024 3.336 105 HD11 LEU 10 HD11 LEU 10 38.842 8.138 1.023 106 HD12 LEU 10 HD12 LEU 10 37.235 7.738 1.667 107 HD13 LEU 10 HD13 LEU 10 37.979 6.704 0.425 108 HD21 LEU 10 HD21 LEU 10 36.955 5.500 2.914 109 HD22 LEU 10 HD22 LEU 10 38.409 4.578 3.365 110 HD23 LEU 10 HD23 LEU 10 37.899 4.656 1.662 111 H LYS 11 HN LYS 11 42.510 6.354 1.387 112 HA LYS 11 HA LYS 11 44.226 4.057 1.418 113 HB2 LYS 11 HB2 LYS 11 42.799 5.282 -0.714 114 HB3 LYS 11 HB1 LYS 11 43.975 3.969 -0.988 115 HG2 LYS 11 HG2 LYS 11 42.581 2.295 -0.163 116 HG3 LYS 11 HG1 LYS 11 41.653 3.404 0.849 117 HD2 LYS 11 HD2 LYS 11 40.544 4.357 -1.113 118 HD3 LYS 11 HD1 LYS 11 41.556 3.365 -2.192 119 HE2 LYS 11 HE2 LYS 11 39.388 2.276 -1.943 120 HE3 LYS 11 HE1 LYS 11 40.612 1.307 -1.086 121 HZ1 LYS 11 HZ1 LYS 11 39.018 1.460 0.514 122 HZ2 LYS 11 HZ2 LYS 11 38.449 2.973 -0.006 123 HZ3 LYS 11 HZ3 LYS 11 39.889 2.866 0.888 124 H ASN 12 HN ASN 12 43.540 6.704 1.569 125 HA ASN 12 HA ASN 12 44.935 8.826 1.652 126 HB2 ASN 12 HB2 ASN 12 47.000 7.578 2.255 127 HB3 ASN 12 HB1 ASN 12 47.205 7.205 0.558 128 HD21 ASN 12 HD21 ASN 12 49.025 8.947 2.201 129 HD22 ASN 12 HD22 ASN 12 48.948 10.538 1.449 130 H GLU 13 HN GLU 13 43.228 7.358 -0.003 131 HA GLU 13 HA GLU 13 42.515 7.209 -2.233 132 HB2 GLU 13 HB2 GLU 13 43.202 9.789 -2.176 133 HB3 GLU 13 HB1 GLU 13 44.640 9.237 -3.061 134 HG2 GLU 13 HG2 GLU 13 43.005 9.865 -4.719 135 HG3 GLU 13 HG1 GLU 13 43.034 8.085 -4.691 136 H ILE 14 HN ILE 14 44.603 5.488 -0.887 137 HA ILE 14 HA ILE 14 46.131 3.904 -1.723 138 HB ILE 14 HB ILE 14 46.359 5.304 -4.428 139 HG12 ILE 14 HG12 ILE 14 43.951 4.474 -3.779 140 HG13 ILE 14 HG11 ILE 14 44.632 3.950 -5.328 141 HG21 ILE 14 HG21 ILE 14 48.194 3.844 -4.005 142 HG22 ILE 14 HG22 ILE 14 47.093 2.978 -5.102 143 HG23 ILE 14 HG23 ILE 14 47.131 2.567 -3.371 144 HD11 ILE 14 HD1 ILE 14 45.160 1.768 -4.456 145 HD12 ILE 14 HD2 ILE 14 43.500 2.132 -3.931 146 HD13 ILE 14 HD3 ILE 14 44.847 2.285 -2.784 147 H LYS 15 HN LYS 15 46.520 7.362 -2.376 148 HA LYS 15 HA LYS 15 48.841 7.606 -0.725 149 HB2 LYS 15 HB2 LYS 15 49.400 6.873 -3.540 150 HB3 LYS 15 HB1 LYS 15 50.032 8.505 -3.122 151 HG2 LYS 15 HG2 LYS 15 51.355 7.587 -1.318 152 HG3 LYS 15 HG1 LYS 15 50.562 5.997 -1.439 153 HD2 LYS 15 HD2 LYS 15 51.548 5.596 -3.619 154 HD3 LYS 15 HD1 LYS 15 52.193 7.255 -3.684 155 HE2 LYS 15 HE2 LYS 15 53.993 5.737 -3.033 156 HE3 LYS 15 HE1 LYS 15 53.560 6.747 -1.633 157 HZ1 LYS 15 HZ1 LYS 15 52.277 4.116 -2.053 158 HZ2 LYS 15 HZ2 LYS 15 52.459 5.001 -0.614 159 HZ3 LYS 15 HZ3 LYS 15 53.799 4.222 -1.312 160 H LYS 16 HN LYS 16 49.376 9.667 -0.510 161 HA LYS 16 HA LYS 16 48.329 11.748 -0.579 162 HB2 LYS 16 HB2 LYS 16 50.572 11.341 -2.069 163 HB3 LYS 16 HB1 LYS 16 49.820 12.893 -2.415 164 HG2 LYS 16 HG2 LYS 16 51.449 13.336 -0.714 165 HG3 LYS 16 HG1 LYS 16 49.901 13.287 0.154 166 HD2 LYS 16 HD2 LYS 16 50.432 10.761 0.524 167 HD3 LYS 16 HD1 LYS 16 52.085 11.173 0.024 168 HE2 LYS 16 HE2 LYS 16 50.544 12.456 2.324 169 HE3 LYS 16 HE1 LYS 16 51.873 11.282 2.482 170 HZ1 LYS 16 HZ1 LYS 16 53.358 12.890 2.196 171 HZ2 LYS 16 HZ2 LYS 16 52.096 14.023 2.310 172 HZ3 LYS 16 HZ3 LYS 16 52.600 13.457 0.789 173 H LYS 17 HN LYS 17 48.848 11.670 -3.287 174 HA LYS 17 HA LYS 17 45.967 11.793 -4.164 175 HB2 LYS 17 HB2 LYS 17 47.182 14.252 -3.900 176 HB3 LYS 17 HB1 LYS 17 47.704 13.816 -5.536 177 HG2 LYS 17 HG2 LYS 17 45.664 14.933 -5.943 178 HG3 LYS 17 HG1 LYS 17 45.154 13.229 -5.915 179 HD2 LYS 17 HD2 LYS 17 44.631 13.551 -3.429 180 HD3 LYS 17 HD1 LYS 17 44.908 15.289 -3.681 181 HE2 LYS 17 HE2 LYS 17 42.531 14.883 -3.912 182 HE3 LYS 17 HE1 LYS 17 43.184 15.213 -5.534 183 HZ1 LYS 17 HZ1 LYS 17 41.965 12.831 -4.510 184 HZ2 LYS 17 HZ2 LYS 17 43.480 12.513 -5.212 185 HZ3 LYS 17 HZ3 LYS 17 42.267 13.286 -6.116 186 H GLY 18 HN GLY 18 48.579 10.488 -3.654 187 HA2 GLY 18 HA1 GLY 18 48.929 8.404 -5.198 188 HA3 GLY 18 HA2 GLY 18 48.996 9.525 -6.580 189 H ARG 19 HN ARG 19 50.136 10.591 -3.623 190 HA ARG 19 HA ARG 19 52.571 10.340 -2.848 191 HB2 ARG 19 HB2 ARG 19 53.316 9.432 -5.183 192 HB3 ARG 19 HB1 ARG 19 53.128 11.155 -5.794 193 HG2 ARG 19 HG2 ARG 19 54.900 11.869 -4.319 194 HG3 ARG 19 HG1 ARG 19 54.842 10.400 -3.330 195 HD2 ARG 19 HD2 ARG 19 55.766 9.058 -5.116 196 HD3 ARG 19 HD1 ARG 19 55.643 10.403 -6.270 197 HE ARG 19 HE ARG 19 57.801 9.989 -4.400 198 HH11 ARG 19 HH11 ARG 19 56.707 12.499 -3.280 199 HH12 ARG 19 HH12 ARG 19 57.470 13.715 -4.248 200 HH21 ARG 19 HH21 ARG 19 58.401 11.511 -6.758 201 HH22 ARG 19 HH22 ARG 19 58.429 13.157 -6.217 202 H LYS 20 HN LYS 20 50.782 11.983 -5.141 203 HA LYS 20 HA LYS 20 50.706 13.947 -6.008 204 HB2 LYS 20 HB2 LYS 20 50.153 15.705 -5.029 205 HB3 LYS 20 HB1 LYS 20 49.423 14.404 -4.108 206 HG2 LYS 20 HG2 LYS 20 51.573 14.749 -2.528 207 HG3 LYS 20 HG1 LYS 20 51.545 16.373 -3.237 208 HD2 LYS 20 HD2 LYS 20 49.094 16.522 -2.553 209 HD3 LYS 20 HD1 LYS 20 49.348 15.036 -1.612 210 HE2 LYS 20 HE2 LYS 20 50.641 17.753 -1.230 211 HE3 LYS 20 HE1 LYS 20 49.730 16.783 -0.049 212 HZ1 LYS 20 HZ1 LYS 20 52.285 15.863 -1.253 213 HZ2 LYS 20 HZ2 LYS 20 51.484 15.241 0.110 214 HZ3 LYS 20 HZ3 LYS 20 52.227 16.768 0.181 215 H ALA 21 HN ALA 21 52.051 13.487 -6.708 216 HA ALA 21 HA ALA 21 53.993 15.137 -7.425 217 HB1 ALA 21 HB1 ALA 21 55.463 12.729 -6.411 218 HB2 ALA 21 HB2 ALA 21 55.132 14.015 -5.227 219 HB3 ALA 21 HB3 ALA 21 56.089 14.368 -6.684 220 H VAL 22 HN VAL 22 51.765 13.175 -7.046 221 HA VAL 22 HA VAL 22 52.270 12.140 -9.874 222 HB VAL 22 HB VAL 22 50.720 10.736 -7.656 223 HG11 VAL 22 HG11 VAL 22 50.453 10.540 -10.666 224 HG12 VAL 22 HG12 VAL 22 49.174 10.588 -9.428 225 HG13 VAL 22 HG13 VAL 22 50.131 9.111 -9.656 226 HG21 VAL 22 HG21 VAL 22 52.083 8.760 -8.373 227 HG22 VAL 22 HG22 VAL 22 53.119 10.113 -7.865 228 HG23 VAL 22 HG23 VAL 22 52.878 9.780 -9.592 229 H ILE 23 HN ILE 23 51.418 14.415 -7.945 230 HA ILE 23 HA ILE 23 49.468 15.227 -9.888 231 HB ILE 23 HB ILE 23 48.449 15.274 -7.042 232 HG12 ILE 23 HG12 ILE 23 48.195 12.989 -8.211 233 HG13 ILE 23 HG11 ILE 23 46.699 13.723 -7.650 234 HG21 ILE 23 HG21 ILE 23 47.378 16.400 -9.644 235 HG22 ILE 23 HG22 ILE 23 47.747 17.260 -8.129 236 HG23 ILE 23 HG23 ILE 23 46.343 16.170 -8.213 237 HD11 ILE 23 HD1 ILE 23 47.680 14.011 -10.516 238 HD12 ILE 23 HD2 ILE 23 46.086 14.437 -9.862 239 HD13 ILE 23 HD3 ILE 23 46.575 12.734 -9.974 240 H ALA 24 HN ALA 24 51.295 15.518 -7.150 241 HA ALA 24 HA ALA 24 51.577 18.376 -7.735 242 HB1 ALA 24 HB1 ALA 24 52.040 17.150 -5.375 243 HB2 ALA 24 HB2 ALA 24 52.972 18.570 -5.884 244 HB3 ALA 24 HB3 ALA 24 53.643 16.945 -6.106 245 H TRP 25 HN TRP 25 51.960 15.255 -8.788 246 HA TRP 25 HA TRP 25 53.234 14.436 -10.610 247 HB2 TRP 25 HB2 TRP 25 52.245 16.452 -11.709 248 HB3 TRP 25 HB1 TRP 25 53.728 17.351 -11.312 249 HD1 TRP 25 HD1 TRP 25 52.798 14.021 -13.083 250 HE1 TRP 25 HE1 TRP 25 54.401 13.672 -15.102 251 HE3 TRP 25 HE3 TRP 25 55.749 18.163 -12.496 252 HZ2 TRP 25 HZ2 TRP 25 56.653 15.031 -16.276 253 HZ3 TRP 25 HZ3 TRP 25 57.618 18.617 -14.078 254 HH2 TRP 25 HH2 TRP 25 58.073 17.057 -15.966 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 53.568 1.925 10.009 2 H2 ALA 1 HT2 ALA 1 52.357 0.993 9.265 3 H3 ALA 1 HT3 ALA 1 51.937 2.216 10.369 4 HA ALA 1 HA ALA 1 53.046 3.819 8.828 5 HB1 ALA 1 HB1 ALA 1 53.997 3.010 6.921 6 HB2 ALA 1 HB2 ALA 1 52.489 2.164 6.450 7 HB3 ALA 1 HB3 ALA 1 53.684 1.367 7.519 8 H TRP 2 HN TRP 2 51.726 3.959 6.425 9 HA TRP 2 HA TRP 2 49.007 3.324 6.740 10 HB2 TRP 2 HB2 TRP 2 49.744 6.188 6.916 11 HB3 TRP 2 HB1 TRP 2 48.097 5.637 6.622 12 HD1 TRP 2 HD1 TRP 2 50.738 5.855 9.374 13 HE1 TRP 2 HE1 TRP 2 49.661 5.304 11.671 14 HE3 TRP 2 HE3 TRP 2 46.148 4.272 7.753 15 HZ2 TRP 2 HZ2 TRP 2 47.143 4.308 12.643 16 HZ3 TRP 2 HZ3 TRP 2 44.423 3.525 9.385 17 HH2 TRP 2 HH2 TRP 2 44.916 3.540 11.827 18 H LYS 3 HN LYS 3 49.528 2.227 4.769 19 HA LYS 3 HA LYS 3 49.999 2.152 2.597 20 HB2 LYS 3 HB2 LYS 3 48.037 4.150 2.273 21 HB3 LYS 3 HB1 LYS 3 49.376 4.507 1.199 22 HG2 LYS 3 HG2 LYS 3 48.084 1.764 1.355 23 HG3 LYS 3 HG1 LYS 3 47.506 3.041 0.264 24 HD2 LYS 3 HD2 LYS 3 49.559 3.108 -0.947 25 HD3 LYS 3 HD1 LYS 3 50.424 2.180 0.298 26 HE2 LYS 3 HE2 LYS 3 48.074 1.041 -1.267 27 HE3 LYS 3 HE1 LYS 3 49.764 0.871 -1.800 28 HZ1 LYS 3 HZ1 LYS 3 49.724 0.186 0.880 29 HZ2 LYS 3 HZ2 LYS 3 49.909 -0.860 -0.445 30 HZ3 LYS 3 HZ3 LYS 3 48.366 -0.574 0.206 31 H GLU 4 HN GLU 4 51.236 3.836 4.670 32 HA GLU 4 HA GLU 4 53.294 4.109 5.008 33 HB2 GLU 4 HB2 GLU 4 53.999 3.508 2.621 34 HB3 GLU 4 HB1 GLU 4 54.026 5.268 2.383 35 HG2 GLU 4 HG2 GLU 4 55.585 3.966 4.659 36 HG3 GLU 4 HG1 GLU 4 56.262 4.054 3.019 37 H LYS 5 HN LYS 5 51.788 5.111 6.356 38 HA LYS 5 HA LYS 5 51.668 7.117 7.647 39 HB2 LYS 5 HB2 LYS 5 53.684 8.552 5.857 40 HB3 LYS 5 HB1 LYS 5 53.230 8.904 7.533 41 HG2 LYS 5 HG2 LYS 5 54.202 6.586 8.131 42 HG3 LYS 5 HG1 LYS 5 54.936 6.603 6.512 43 HD2 LYS 5 HD2 LYS 5 56.073 8.735 7.031 44 HD3 LYS 5 HD1 LYS 5 55.326 8.745 8.647 45 HE2 LYS 5 HE2 LYS 5 57.525 7.846 8.957 46 HE3 LYS 5 HE1 LYS 5 56.427 6.448 9.012 47 HZ1 LYS 5 HZ1 LYS 5 57.061 5.767 6.915 48 HZ2 LYS 5 HZ2 LYS 5 58.528 6.358 7.535 49 HZ3 LYS 5 HZ3 LYS 5 57.622 7.298 6.449 50 H ILE 6 HN ILE 6 51.387 6.073 4.694 51 HA ILE 6 HA ILE 6 49.744 8.572 3.628 52 HB ILE 6 HB ILE 6 50.671 5.990 2.375 53 HG12 ILE 6 HG12 ILE 6 52.264 8.015 2.824 54 HG13 ILE 6 HG11 ILE 6 52.319 7.210 1.253 55 HG21 ILE 6 HG21 ILE 6 48.522 6.526 1.442 56 HG22 ILE 6 HG22 ILE 6 49.818 6.788 0.260 57 HG23 ILE 6 HG23 ILE 6 49.078 8.168 1.091 58 HD11 ILE 6 HD1 ILE 6 52.332 9.752 1.203 59 HD12 ILE 6 HD2 ILE 6 50.661 9.714 1.799 60 HD13 ILE 6 HD3 ILE 6 51.064 8.993 0.220 61 H ARG 7 HN ARG 7 48.439 5.054 3.111 62 HA ARG 7 HA ARG 7 45.867 5.312 3.192 63 HB2 ARG 7 HB2 ARG 7 47.222 3.811 5.455 64 HB3 ARG 7 HB1 ARG 7 45.490 3.845 5.334 65 HG2 ARG 7 HG2 ARG 7 45.996 2.985 2.831 66 HG3 ARG 7 HG1 ARG 7 47.491 2.435 3.575 67 HD2 ARG 7 HD2 ARG 7 44.792 1.739 4.779 68 HD3 ARG 7 HD1 ARG 7 45.592 0.738 3.551 69 HE ARG 7 HE ARG 7 46.488 1.126 6.348 70 HH11 ARG 7 HH11 ARG 7 48.760 1.311 4.271 71 HH12 ARG 7 HH12 ARG 7 49.316 -0.330 4.264 72 HH21 ARG 7 HH21 ARG 7 46.501 -1.570 5.864 73 HH22 ARG 7 HH22 ARG 7 48.038 -1.960 5.167 74 H LYS 8 HN LYS 8 46.325 7.859 3.828 75 HA LYS 8 HA LYS 8 45.403 8.188 6.583 76 HB2 LYS 8 HB2 LYS 8 47.337 9.579 6.136 77 HB3 LYS 8 HB1 LYS 8 46.595 10.165 4.630 78 HG2 LYS 8 HG2 LYS 8 44.910 11.397 5.852 79 HG3 LYS 8 HG1 LYS 8 45.377 10.626 7.388 80 HD2 LYS 8 HD2 LYS 8 47.558 11.728 7.331 81 HD3 LYS 8 HD1 LYS 8 47.210 12.404 5.721 82 HE2 LYS 8 HE2 LYS 8 46.780 14.148 7.344 83 HE3 LYS 8 HE1 LYS 8 45.204 13.577 6.746 84 HZ1 LYS 8 HZ1 LYS 8 46.017 11.996 8.940 85 HZ2 LYS 8 HZ2 LYS 8 44.651 12.995 8.795 86 HZ3 LYS 8 HZ3 LYS 8 46.115 13.631 9.379 87 H LYS 9 HN LYS 9 44.740 8.788 3.335 88 HA LYS 9 HA LYS 9 42.069 9.925 4.174 89 HB2 LYS 9 HB2 LYS 9 42.918 10.361 1.752 90 HB3 LYS 9 HB1 LYS 9 42.482 8.648 1.432 91 HG2 LYS 9 HG2 LYS 9 40.245 9.972 2.806 92 HG3 LYS 9 HG1 LYS 9 40.733 10.952 1.409 93 HD2 LYS 9 HD2 LYS 9 40.569 8.941 -0.046 94 HD3 LYS 9 HD1 LYS 9 40.057 7.976 1.360 95 HE2 LYS 9 HE2 LYS 9 38.600 10.484 0.428 96 HE3 LYS 9 HE1 LYS 9 38.152 8.840 -0.086 97 HZ1 LYS 9 HZ1 LYS 9 37.083 9.950 2.024 98 HZ2 LYS 9 HZ2 LYS 9 38.483 9.360 2.784 99 HZ3 LYS 9 HZ3 LYS 9 37.429 8.290 1.988 100 H LEU 10 HN LEU 10 43.888 6.983 3.981 101 HA LEU 10 HA LEU 10 42.400 5.090 5.280 102 HB2 LEU 10 HB2 LEU 10 41.131 5.818 2.640 103 HB3 LEU 10 HB1 LEU 10 41.040 4.125 3.177 104 HG LEU 10 HG LEU 10 40.114 6.227 5.176 105 HD11 LEU 10 HD11 LEU 10 37.879 6.225 4.299 106 HD12 LEU 10 HD12 LEU 10 38.254 4.937 3.131 107 HD13 LEU 10 HD13 LEU 10 38.916 6.569 2.897 108 HD21 LEU 10 HD21 LEU 10 39.280 3.357 4.579 109 HD22 LEU 10 HD22 LEU 10 38.722 4.354 5.944 110 HD23 LEU 10 HD23 LEU 10 40.428 3.856 5.843 111 H LYS 11 HN LYS 11 42.812 6.032 2.142 112 HA LYS 11 HA LYS 11 44.735 4.139 1.281 113 HB2 LYS 11 HB2 LYS 11 42.398 5.253 0.079 114 HB3 LYS 11 HB1 LYS 11 43.503 4.208 -0.843 115 HG2 LYS 11 HG2 LYS 11 42.771 2.239 0.131 116 HG3 LYS 11 HG1 LYS 11 42.355 3.017 1.661 117 HD2 LYS 11 HD2 LYS 11 40.307 2.317 0.521 118 HD3 LYS 11 HD1 LYS 11 40.383 4.094 0.548 119 HE2 LYS 11 HE2 LYS 11 41.427 2.473 -1.808 120 HE3 LYS 11 HE1 LYS 11 39.730 2.996 -1.694 121 HZ1 LYS 11 HZ1 LYS 11 40.651 4.759 -2.785 122 HZ2 LYS 11 HZ2 LYS 11 42.164 4.610 -2.027 123 HZ3 LYS 11 HZ3 LYS 11 40.852 5.289 -1.187 124 H ASN 12 HN ASN 12 43.775 6.575 2.111 125 HA ASN 12 HA ASN 12 44.612 8.968 1.771 126 HB2 ASN 12 HB2 ASN 12 46.822 7.812 2.192 127 HB3 ASN 12 HB1 ASN 12 46.966 7.798 0.434 128 HD21 ASN 12 HD21 ASN 12 48.458 9.409 2.642 129 HD22 ASN 12 HD22 ASN 12 48.309 11.078 2.087 130 H GLU 13 HN GLU 13 43.116 7.228 0.088 131 HA GLU 13 HA GLU 13 42.023 7.350 -1.970 132 HB2 GLU 13 HB2 GLU 13 44.126 9.354 -2.898 133 HB3 GLU 13 HB1 GLU 13 42.571 8.983 -3.665 134 HG2 GLU 13 HG2 GLU 13 41.305 10.073 -1.992 135 HG3 GLU 13 HG1 GLU 13 42.643 10.057 -0.824 136 H ILE 14 HN ILE 14 44.249 5.521 -1.024 137 HA ILE 14 HA ILE 14 45.442 3.855 -2.098 138 HB ILE 14 HB ILE 14 43.989 4.764 -4.396 139 HG12 ILE 14 HG12 ILE 14 44.288 2.418 -3.576 140 HG13 ILE 14 HG11 ILE 14 44.493 2.596 -5.330 141 HG21 ILE 14 HG21 ILE 14 45.957 6.040 -5.186 142 HG22 ILE 14 HG22 ILE 14 45.625 4.653 -6.245 143 HG23 ILE 14 HG23 ILE 14 46.964 4.582 -5.079 144 HD11 ILE 14 HD1 ILE 14 46.239 1.163 -3.937 145 HD12 ILE 14 HD2 ILE 14 46.932 2.750 -3.533 146 HD13 ILE 14 HD3 ILE 14 46.816 2.236 -5.232 147 H LYS 15 HN LYS 15 45.809 7.230 -2.380 148 HA LYS 15 HA LYS 15 48.279 7.462 -1.275 149 HB2 LYS 15 HB2 LYS 15 48.580 6.690 -4.125 150 HB3 LYS 15 HB1 LYS 15 49.373 8.240 -3.688 151 HG2 LYS 15 HG2 LYS 15 50.815 7.206 -2.126 152 HG3 LYS 15 HG1 LYS 15 49.788 5.769 -1.945 153 HD2 LYS 15 HD2 LYS 15 50.343 5.095 -4.279 154 HD3 LYS 15 HD1 LYS 15 51.410 6.514 -4.419 155 HE2 LYS 15 HE2 LYS 15 51.706 4.271 -2.374 156 HE3 LYS 15 HE1 LYS 15 52.699 4.475 -3.837 157 HZ1 LYS 15 HZ1 LYS 15 53.273 6.730 -2.954 158 HZ2 LYS 15 HZ2 LYS 15 53.876 5.435 -2.033 159 HZ3 LYS 15 HZ3 LYS 15 52.517 6.302 -1.497 160 H LYS 16 HN LYS 16 48.731 9.525 -1.019 161 HA LYS 16 HA LYS 16 47.653 11.594 -1.143 162 HB2 LYS 16 HB2 LYS 16 50.038 11.163 -2.232 163 HB3 LYS 16 HB1 LYS 16 49.294 12.517 -3.069 164 HG2 LYS 16 HG2 LYS 16 50.580 13.504 -1.316 165 HG3 LYS 16 HG1 LYS 16 48.904 13.536 -0.719 166 HD2 LYS 16 HD2 LYS 16 49.399 11.297 0.424 167 HD3 LYS 16 HD1 LYS 16 51.110 11.567 0.016 168 HE2 LYS 16 HE2 LYS 16 50.620 12.373 2.301 169 HE3 LYS 16 HE1 LYS 16 51.056 13.729 1.235 170 HZ1 LYS 16 HZ1 LYS 16 48.231 13.063 1.311 171 HZ2 LYS 16 HZ2 LYS 16 48.996 14.580 1.343 172 HZ3 LYS 16 HZ3 LYS 16 48.860 13.663 2.767 173 H LYS 17 HN LYS 17 48.283 11.446 -3.825 174 HA LYS 17 HA LYS 17 45.458 11.411 -4.839 175 HB2 LYS 17 HB2 LYS 17 46.478 14.011 -4.584 176 HB3 LYS 17 HB1 LYS 17 46.954 13.596 -6.240 177 HG2 LYS 17 HG2 LYS 17 44.648 13.077 -6.835 178 HG3 LYS 17 HG1 LYS 17 44.125 13.306 -5.149 179 HD2 LYS 17 HD2 LYS 17 44.612 15.655 -5.212 180 HD3 LYS 17 HD1 LYS 17 45.482 15.505 -6.755 181 HE2 LYS 17 HE2 LYS 17 43.210 16.434 -7.100 182 HE3 LYS 17 HE1 LYS 17 43.378 14.845 -7.885 183 HZ1 LYS 17 HZ1 LYS 17 42.446 13.922 -5.722 184 HZ2 LYS 17 HZ2 LYS 17 41.362 14.746 -6.737 185 HZ3 LYS 17 HZ3 LYS 17 41.985 15.512 -5.355 186 H GLY 18 HN GLY 18 48.094 10.327 -4.193 187 HA2 GLY 18 HA1 GLY 18 48.711 8.322 -5.799 188 HA3 GLY 18 HA2 GLY 18 48.846 9.535 -7.088 189 H ARG 19 HN ARG 19 49.748 10.007 -3.724 190 HA ARG 19 HA ARG 19 52.058 10.073 -2.865 191 HB2 ARG 19 HB2 ARG 19 52.928 9.142 -5.218 192 HB3 ARG 19 HB1 ARG 19 52.999 10.907 -5.695 193 HG2 ARG 19 HG2 ARG 19 54.478 11.289 -3.709 194 HG3 ARG 19 HG1 ARG 19 54.398 9.565 -3.282 195 HD2 ARG 19 HD2 ARG 19 55.516 8.918 -5.311 196 HD3 ARG 19 HD1 ARG 19 55.361 10.553 -5.996 197 HE ARG 19 HE ARG 19 56.820 10.960 -3.676 198 HH11 ARG 19 HH11 ARG 19 58.249 11.525 -6.097 199 HH12 ARG 19 HH12 ARG 19 59.454 10.284 -6.193 200 HH21 ARG 19 HH21 ARG 19 57.868 8.200 -3.920 201 HH22 ARG 19 HH22 ARG 19 59.238 8.402 -4.960 202 H LYS 20 HN LYS 20 50.378 11.691 -5.282 203 HA LYS 20 HA LYS 20 50.676 13.586 -6.227 204 HB2 LYS 20 HB2 LYS 20 49.507 15.164 -5.726 205 HB3 LYS 20 HB1 LYS 20 48.760 13.820 -4.891 206 HG2 LYS 20 HG2 LYS 20 49.132 14.740 -2.735 207 HG3 LYS 20 HG1 LYS 20 50.526 15.670 -3.267 208 HD2 LYS 20 HD2 LYS 20 48.986 17.161 -4.565 209 HD3 LYS 20 HD1 LYS 20 47.612 16.242 -3.909 210 HE2 LYS 20 HE2 LYS 20 48.399 16.805 -1.592 211 HE3 LYS 20 HE1 LYS 20 49.668 17.826 -2.311 212 HZ1 LYS 20 HZ1 LYS 20 48.161 19.362 -3.012 213 HZ2 LYS 20 HZ2 LYS 20 47.331 18.799 -1.640 214 HZ3 LYS 20 HZ3 LYS 20 46.899 18.243 -3.185 215 H ALA 21 HN ALA 21 52.069 13.326 -6.552 216 HA ALA 21 HA ALA 21 53.998 15.194 -6.715 217 HB1 ALA 21 HB1 ALA 21 55.910 14.473 -5.505 218 HB2 ALA 21 HB2 ALA 21 55.257 12.828 -5.316 219 HB3 ALA 21 HB3 ALA 21 54.618 14.160 -4.325 220 H VAL 22 HN VAL 22 51.985 13.000 -7.139 221 HA VAL 22 HA VAL 22 53.402 12.336 -9.738 222 HB VAL 22 HB VAL 22 52.845 10.207 -7.933 223 HG11 VAL 22 HG11 VAL 22 50.358 10.625 -8.499 224 HG12 VAL 22 HG12 VAL 22 50.959 8.977 -8.764 225 HG13 VAL 22 HG13 VAL 22 50.750 10.078 -10.143 226 HG21 VAL 22 HG21 VAL 22 54.399 10.091 -9.814 227 HG22 VAL 22 HG22 VAL 22 53.043 10.158 -10.965 228 HG23 VAL 22 HG23 VAL 22 53.239 8.744 -9.903 229 H ILE 23 HN ILE 23 51.829 14.208 -8.033 230 HA ILE 23 HA ILE 23 50.167 14.874 -10.226 231 HB ILE 23 HB ILE 23 48.605 14.209 -7.718 232 HG12 ILE 23 HG12 ILE 23 48.525 13.210 -10.602 233 HG13 ILE 23 HG11 ILE 23 48.822 12.266 -9.129 234 HG21 ILE 23 HG21 ILE 23 46.646 15.280 -8.798 235 HG22 ILE 23 HG22 ILE 23 47.621 15.655 -10.233 236 HG23 ILE 23 HG23 ILE 23 47.956 16.461 -8.687 237 HD11 ILE 23 HD1 ILE 23 46.588 11.736 -9.683 238 HD12 ILE 23 HD2 ILE 23 46.209 13.408 -10.157 239 HD13 ILE 23 HD3 ILE 23 46.408 12.992 -8.440 240 H ALA 24 HN ALA 24 51.235 15.231 -7.117 241 HA ALA 24 HA ALA 24 51.185 18.160 -7.518 242 HB1 ALA 24 HB1 ALA 24 52.996 16.900 -5.477 243 HB2 ALA 24 HB2 ALA 24 51.250 16.886 -5.139 244 HB3 ALA 24 HB3 ALA 24 52.093 18.425 -5.387 245 H TRP 25 HN TRP 25 52.274 15.200 -8.528 246 HA TRP 25 HA TRP 25 54.077 14.635 -9.945 247 HB2 TRP 25 HB2 TRP 25 53.179 16.486 -11.299 248 HB3 TRP 25 HB1 TRP 25 54.237 17.631 -10.443 249 HD1 TRP 25 HD1 TRP 25 54.570 14.381 -12.536 250 HE1 TRP 25 HE1 TRP 25 56.780 14.484 -13.903 251 HE3 TRP 25 HE3 TRP 25 56.397 18.830 -10.781 252 HZ2 TRP 25 HZ2 TRP 25 59.019 16.276 -14.174 253 HZ3 TRP 25 HZ3 TRP 25 58.571 19.717 -11.608 254 HH2 TRP 25 HH2 TRP 25 59.882 18.445 -13.301 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 50.124 4.952 12.537 2 H2 ALA 1 HT2 ALA 1 51.393 3.866 12.223 3 H3 ALA 1 HT3 ALA 1 49.796 3.455 11.813 4 HA ALA 1 HA ALA 1 51.125 5.813 10.677 5 HB1 ALA 1 HB1 ALA 1 51.822 3.021 10.249 6 HB2 ALA 1 HB2 ALA 1 52.529 4.461 9.489 7 HB3 ALA 1 HB3 ALA 1 51.112 3.662 8.739 8 H TRP 2 HN TRP 2 50.352 5.258 8.138 9 HA TRP 2 HA TRP 2 47.662 4.566 7.950 10 HB2 TRP 2 HB2 TRP 2 48.313 7.452 8.005 11 HB3 TRP 2 HB1 TRP 2 46.961 6.921 7.024 12 HD1 TRP 2 HD1 TRP 2 45.574 4.817 8.837 13 HE1 TRP 2 HE1 TRP 2 44.436 5.461 11.074 14 HE3 TRP 2 HE3 TRP 2 47.979 9.260 9.746 15 HZ2 TRP 2 HZ2 TRP 2 44.554 7.609 12.973 16 HZ3 TRP 2 HZ3 TRP 2 47.439 10.586 11.778 17 HH2 TRP 2 HH2 TRP 2 45.727 9.768 13.390 18 H LYS 3 HN LYS 3 48.688 3.136 6.404 19 HA LYS 3 HA LYS 3 49.712 2.722 4.435 20 HB2 LYS 3 HB2 LYS 3 47.747 4.075 3.284 21 HB3 LYS 3 HB1 LYS 3 49.125 5.069 2.857 22 HG2 LYS 3 HG2 LYS 3 49.069 3.604 1.049 23 HG3 LYS 3 HG1 LYS 3 50.241 2.807 2.123 24 HD2 LYS 3 HD2 LYS 3 48.331 1.425 3.056 25 HD3 LYS 3 HD1 LYS 3 47.277 2.144 1.817 26 HE2 LYS 3 HE2 LYS 3 48.981 1.332 0.083 27 HE3 LYS 3 HE1 LYS 3 49.726 0.389 1.395 28 HZ1 LYS 3 HZ1 LYS 3 47.709 -0.799 1.723 29 HZ2 LYS 3 HZ2 LYS 3 48.037 -0.833 0.056 30 HZ3 LYS 3 HZ3 LYS 3 46.847 0.214 0.669 31 H GLU 4 HN GLU 4 50.333 4.725 6.467 32 HA GLU 4 HA GLU 4 52.137 5.262 7.322 33 HB2 GLU 4 HB2 GLU 4 53.620 4.190 5.610 34 HB3 GLU 4 HB1 GLU 4 53.643 5.783 4.817 35 HG2 GLU 4 HG2 GLU 4 54.658 6.806 6.788 36 HG3 GLU 4 HG1 GLU 4 54.510 5.283 7.698 37 H LYS 5 HN LYS 5 50.419 6.426 8.007 38 HA LYS 5 HA LYS 5 50.030 8.629 8.844 39 HB2 LYS 5 HB2 LYS 5 52.731 8.868 8.587 40 HB3 LYS 5 HB1 LYS 5 52.258 9.927 7.239 41 HG2 LYS 5 HG2 LYS 5 50.674 11.088 8.906 42 HG3 LYS 5 HG1 LYS 5 51.538 10.205 10.184 43 HD2 LYS 5 HD2 LYS 5 52.762 12.140 8.166 44 HD3 LYS 5 HD1 LYS 5 52.539 12.428 9.908 45 HE2 LYS 5 HE2 LYS 5 54.440 10.500 8.535 46 HE3 LYS 5 HE1 LYS 5 54.810 11.767 9.727 47 HZ1 LYS 5 HZ1 LYS 5 54.793 10.018 11.126 48 HZ2 LYS 5 HZ2 LYS 5 53.796 9.066 10.133 49 HZ3 LYS 5 HZ3 LYS 5 53.115 10.267 11.122 50 H ILE 6 HN ILE 6 50.387 7.042 6.156 51 HA ILE 6 HA ILE 6 48.953 9.219 4.313 52 HB ILE 6 HB ILE 6 50.491 6.666 3.792 53 HG12 ILE 6 HG12 ILE 6 51.005 9.491 2.815 54 HG13 ILE 6 HG11 ILE 6 51.660 8.866 4.330 55 HG21 ILE 6 HG21 ILE 6 49.425 8.407 1.597 56 HG22 ILE 6 HG22 ILE 6 48.477 7.046 2.191 57 HG23 ILE 6 HG23 ILE 6 50.071 6.763 1.510 58 HD11 ILE 6 HD1 ILE 6 53.352 8.556 2.638 59 HD12 ILE 6 HD2 ILE 6 52.183 7.805 1.531 60 HD13 ILE 6 HD3 ILE 6 52.682 6.951 3.006 61 H ARG 7 HN ARG 7 48.139 5.603 3.841 62 HA ARG 7 HA ARG 7 45.625 5.402 3.368 63 HB2 ARG 7 HB2 ARG 7 46.682 3.844 5.100 64 HB3 ARG 7 HB1 ARG 7 46.109 4.958 6.311 65 HG2 ARG 7 HG2 ARG 7 43.781 4.471 4.935 66 HG3 ARG 7 HG1 ARG 7 44.613 2.911 4.772 67 HD2 ARG 7 HD2 ARG 7 45.014 3.065 7.320 68 HD3 ARG 7 HD1 ARG 7 43.786 4.354 7.307 69 HE ARG 7 HE ARG 7 42.153 2.678 7.000 70 HH11 ARG 7 HH11 ARG 7 41.817 1.056 5.135 71 HH12 ARG 7 HH12 ARG 7 42.818 -0.349 5.273 72 HH21 ARG 7 HH21 ARG 7 44.950 1.072 7.609 73 HH22 ARG 7 HH22 ARG 7 44.593 -0.341 6.673 74 H LYS 8 HN LYS 8 45.829 8.232 3.686 75 HA LYS 8 HA LYS 8 44.028 8.783 5.895 76 HB2 LYS 8 HB2 LYS 8 45.930 10.244 5.964 77 HB3 LYS 8 HB1 LYS 8 45.753 10.600 4.232 78 HG2 LYS 8 HG2 LYS 8 43.735 11.881 4.628 79 HG3 LYS 8 HG1 LYS 8 43.661 11.343 6.324 80 HD2 LYS 8 HD2 LYS 8 45.702 12.553 6.860 81 HD3 LYS 8 HD1 LYS 8 45.962 12.958 5.146 82 HE2 LYS 8 HE2 LYS 8 43.628 13.881 6.880 83 HE3 LYS 8 HE1 LYS 8 44.987 14.885 6.323 84 HZ1 LYS 8 HZ1 LYS 8 43.615 15.335 4.624 85 HZ2 LYS 8 HZ2 LYS 8 42.645 13.964 4.882 86 HZ3 LYS 8 HZ3 LYS 8 44.102 13.827 4.020 87 H LYS 9 HN LYS 9 44.243 8.591 2.701 88 HA LYS 9 HA LYS 9 41.361 9.711 2.559 89 HB2 LYS 9 HB2 LYS 9 43.002 10.312 0.590 90 HB3 LYS 9 HB1 LYS 9 42.764 8.603 0.099 91 HG2 LYS 9 HG2 LYS 9 41.045 9.657 -1.097 92 HG3 LYS 9 HG1 LYS 9 40.171 9.264 0.393 93 HD2 LYS 9 HD2 LYS 9 40.665 11.555 1.264 94 HD3 LYS 9 HD1 LYS 9 41.475 11.938 -0.273 95 HE2 LYS 9 HE2 LYS 9 38.583 11.001 -0.068 96 HE3 LYS 9 HE1 LYS 9 39.067 12.712 -0.150 97 HZ1 LYS 9 HZ1 LYS 9 38.586 12.002 -2.345 98 HZ2 LYS 9 HZ2 LYS 9 39.525 10.595 -2.187 99 HZ3 LYS 9 HZ3 LYS 9 40.275 12.119 -2.241 100 H LEU 10 HN LEU 10 43.381 7.035 3.168 101 HA LEU 10 HA LEU 10 41.762 4.954 3.835 102 HB2 LEU 10 HB2 LEU 10 40.176 5.450 1.991 103 HB3 LEU 10 HB1 LEU 10 41.598 5.469 0.844 104 HG LEU 10 HG LEU 10 41.759 3.044 1.052 105 HD11 LEU 10 HD11 LEU 10 39.958 3.372 3.467 106 HD12 LEU 10 HD12 LEU 10 41.584 2.651 3.393 107 HD13 LEU 10 HD13 LEU 10 40.198 1.792 2.683 108 HD21 LEU 10 HD21 LEU 10 39.829 3.847 -0.317 109 HD22 LEU 10 HD22 LEU 10 38.783 3.665 1.112 110 HD23 LEU 10 HD23 LEU 10 39.551 2.235 0.382 111 H LYS 11 HN LYS 11 43.305 6.157 1.200 112 HA LYS 11 HA LYS 11 45.562 4.482 1.061 113 HB2 LYS 11 HB2 LYS 11 43.409 4.920 -0.751 114 HB3 LYS 11 HB1 LYS 11 44.969 4.580 -1.459 115 HG2 LYS 11 HG2 LYS 11 45.093 2.373 -0.694 116 HG3 LYS 11 HG1 LYS 11 43.907 2.653 0.589 117 HD2 LYS 11 HD2 LYS 11 42.162 3.009 -1.257 118 HD3 LYS 11 HD1 LYS 11 43.396 2.446 -2.407 119 HE2 LYS 11 HE2 LYS 11 43.582 0.309 -1.208 120 HE3 LYS 11 HE1 LYS 11 42.410 0.868 0.009 121 HZ1 LYS 11 HZ1 LYS 11 41.196 1.288 -2.425 122 HZ2 LYS 11 HZ2 LYS 11 40.844 0.052 -1.315 123 HZ3 LYS 11 HZ3 LYS 11 41.940 -0.228 -2.583 124 H ASN 12 HN ASN 12 44.022 6.743 1.301 125 HA ASN 12 HA ASN 12 44.641 9.209 1.219 126 HB2 ASN 12 HB2 ASN 12 46.816 8.332 2.256 127 HB3 ASN 12 HB1 ASN 12 47.459 8.468 0.597 128 HD21 ASN 12 HD21 ASN 12 48.672 10.085 2.491 129 HD22 ASN 12 HD22 ASN 12 48.134 11.757 2.291 130 H GLU 13 HN GLU 13 44.085 7.177 -0.787 131 HA GLU 13 HA GLU 13 43.573 7.287 -3.083 132 HB2 GLU 13 HB2 GLU 13 44.198 9.880 -2.905 133 HB3 GLU 13 HB1 GLU 13 45.777 9.335 -3.545 134 HG2 GLU 13 HG2 GLU 13 44.431 9.922 -5.468 135 HG3 GLU 13 HG1 GLU 13 44.441 8.146 -5.402 136 H ILE 14 HN ILE 14 45.688 5.841 -1.303 137 HA ILE 14 HA ILE 14 47.209 4.192 -1.964 138 HB ILE 14 HB ILE 14 47.796 5.603 -4.618 139 HG12 ILE 14 HG12 ILE 14 46.236 2.998 -4.441 140 HG13 ILE 14 HG11 ILE 14 45.346 4.505 -4.170 141 HG21 ILE 14 HG21 ILE 14 48.757 3.333 -5.145 142 HG22 ILE 14 HG22 ILE 14 48.499 2.891 -3.442 143 HG23 ILE 14 HG23 ILE 14 49.610 4.217 -3.862 144 HD11 ILE 14 HD1 ILE 14 46.998 3.807 -6.637 145 HD12 ILE 14 HD2 ILE 14 46.205 5.375 -6.358 146 HD13 ILE 14 HD3 ILE 14 45.225 3.902 -6.537 147 H LYS 15 HN LYS 15 47.502 7.694 -2.163 148 HA LYS 15 HA LYS 15 49.837 7.480 -0.486 149 HB2 LYS 15 HB2 LYS 15 50.593 7.117 -3.067 150 HB3 LYS 15 HB1 LYS 15 50.671 8.894 -2.949 151 HG2 LYS 15 HG2 LYS 15 52.854 8.256 -2.281 152 HG3 LYS 15 HG1 LYS 15 52.023 8.433 -0.725 153 HD2 LYS 15 HD2 LYS 15 51.675 6.018 -0.574 154 HD3 LYS 15 HD1 LYS 15 52.328 5.785 -2.214 155 HE2 LYS 15 HE2 LYS 15 54.524 6.584 -1.504 156 HE3 LYS 15 HE1 LYS 15 53.896 6.971 0.116 157 HZ1 LYS 15 HZ1 LYS 15 53.213 4.327 -0.418 158 HZ2 LYS 15 HZ2 LYS 15 54.355 4.899 0.703 159 HZ3 LYS 15 HZ3 LYS 15 54.837 4.495 -0.876 160 H LYS 16 HN LYS 16 47.914 9.511 -2.553 161 HA LYS 16 HA LYS 16 47.757 11.390 -0.715 162 HB2 LYS 16 HB2 LYS 16 50.049 12.023 -1.034 163 HB3 LYS 16 HB1 LYS 16 49.588 12.227 -2.734 164 HG2 LYS 16 HG2 LYS 16 49.744 14.398 -1.367 165 HG3 LYS 16 HG1 LYS 16 48.209 14.147 -2.225 166 HD2 LYS 16 HD2 LYS 16 47.050 13.579 -0.231 167 HD3 LYS 16 HD1 LYS 16 48.556 13.240 0.656 168 HE2 LYS 16 HE2 LYS 16 47.455 15.427 1.289 169 HE3 LYS 16 HE1 LYS 16 49.128 15.602 0.708 170 HZ1 LYS 16 HZ1 LYS 16 47.444 15.696 -1.516 171 HZ2 LYS 16 HZ2 LYS 16 48.375 16.955 -0.858 172 HZ3 LYS 16 HZ3 LYS 16 46.770 16.728 -0.350 173 H LYS 17 HN LYS 17 48.296 11.251 -3.405 174 HA LYS 17 HA LYS 17 45.469 11.710 -4.350 175 HB2 LYS 17 HB2 LYS 17 46.861 13.966 -4.361 176 HB3 LYS 17 HB1 LYS 17 47.695 13.243 -5.741 177 HG2 LYS 17 HG2 LYS 17 45.947 14.363 -6.841 178 HG3 LYS 17 HG1 LYS 17 45.205 12.767 -6.604 179 HD2 LYS 17 HD2 LYS 17 44.076 13.584 -4.557 180 HD3 LYS 17 HD1 LYS 17 44.855 15.171 -4.752 181 HE2 LYS 17 HE2 LYS 17 42.590 15.286 -5.655 182 HE3 LYS 17 HE1 LYS 17 43.752 15.380 -7.000 183 HZ1 LYS 17 HZ1 LYS 17 41.751 13.422 -6.483 184 HZ2 LYS 17 HZ2 LYS 17 43.280 12.692 -6.599 185 HZ3 LYS 17 HZ3 LYS 17 42.694 13.651 -7.873 186 H GLY 18 HN GLY 18 48.140 10.118 -3.771 187 HA2 GLY 18 HA1 GLY 18 47.806 7.966 -5.555 188 HA3 GLY 18 HA2 GLY 18 48.448 9.183 -6.683 189 H ARG 19 HN ARG 19 50.205 10.442 -5.336 190 HA ARG 19 HA ARG 19 52.346 8.526 -4.529 191 HB2 ARG 19 HB2 ARG 19 51.990 8.692 -7.114 192 HB3 ARG 19 HB1 ARG 19 52.502 10.421 -6.947 193 HG2 ARG 19 HG2 ARG 19 54.553 9.328 -7.427 194 HG3 ARG 19 HG1 ARG 19 54.586 9.310 -5.653 195 HD2 ARG 19 HD2 ARG 19 53.703 6.990 -5.658 196 HD3 ARG 19 HD1 ARG 19 53.653 7.015 -7.437 197 HE ARG 19 HE ARG 19 56.299 7.672 -6.680 198 HH11 ARG 19 HH11 ARG 19 55.353 5.533 -4.618 199 HH12 ARG 19 HH12 ARG 19 55.985 4.102 -5.364 200 HH21 ARG 19 HH21 ARG 19 56.562 5.630 -8.422 201 HH22 ARG 19 HH22 ARG 19 56.669 4.157 -7.517 202 H LYS 20 HN LYS 20 50.898 11.412 -5.338 203 HA LYS 20 HA LYS 20 51.218 13.543 -5.142 204 HB2 LYS 20 HB2 LYS 20 52.558 14.573 -3.575 205 HB3 LYS 20 HB1 LYS 20 51.208 13.677 -2.981 206 HG2 LYS 20 HG2 LYS 20 52.697 11.848 -2.191 207 HG3 LYS 20 HG1 LYS 20 54.100 12.737 -2.839 208 HD2 LYS 20 HD2 LYS 20 53.558 14.631 -1.296 209 HD3 LYS 20 HD1 LYS 20 52.254 13.644 -0.594 210 HE2 LYS 20 HE2 LYS 20 53.913 11.902 0.027 211 HE3 LYS 20 HE1 LYS 20 55.214 12.908 -0.654 212 HZ1 LYS 20 HZ1 LYS 20 55.326 13.709 1.422 213 HZ2 LYS 20 HZ2 LYS 20 53.765 13.184 1.842 214 HZ3 LYS 20 HZ3 LYS 20 53.976 14.637 0.986 215 H ALA 21 HN ALA 21 51.719 12.983 -6.644 216 HA ALA 21 HA ALA 21 53.769 14.146 -7.933 217 HB1 ALA 21 HB1 ALA 21 54.162 11.297 -8.670 218 HB2 ALA 21 HB2 ALA 21 54.767 11.658 -7.036 219 HB3 ALA 21 HB3 ALA 21 55.407 12.548 -8.436 220 H VAL 22 HN VAL 22 51.356 12.906 -6.693 221 HA VAL 22 HA VAL 22 49.902 13.223 -9.367 222 HB VAL 22 HB VAL 22 48.942 11.430 -7.078 223 HG11 VAL 22 HG11 VAL 22 47.730 12.357 -9.720 224 HG12 VAL 22 HG12 VAL 22 47.028 12.470 -8.091 225 HG13 VAL 22 HG13 VAL 22 47.145 10.894 -8.898 226 HG21 VAL 22 HG21 VAL 22 50.647 10.233 -8.323 227 HG22 VAL 22 HG22 VAL 22 49.996 10.801 -9.873 228 HG23 VAL 22 HG23 VAL 22 49.086 9.624 -8.899 229 H ILE 23 HN ILE 23 51.279 14.461 -6.874 230 HA ILE 23 HA ILE 23 49.263 16.507 -6.875 231 HB ILE 23 HB ILE 23 49.180 14.827 -4.500 232 HG12 ILE 23 HG12 ILE 23 47.227 15.963 -5.639 233 HG13 ILE 23 HG11 ILE 23 47.260 16.167 -3.873 234 HG21 ILE 23 HG21 ILE 23 50.960 16.198 -3.538 235 HG22 ILE 23 HG22 ILE 23 49.431 16.586 -2.734 236 HG23 ILE 23 HG23 ILE 23 50.103 17.692 -3.952 237 HD11 ILE 23 HD1 ILE 23 47.852 18.434 -4.001 238 HD12 ILE 23 HD2 ILE 23 46.783 18.263 -5.411 239 HD13 ILE 23 HD3 ILE 23 48.547 18.281 -5.629 240 H ALA 24 HN ALA 24 52.113 15.102 -5.965 241 HA ALA 24 HA ALA 24 53.376 17.761 -6.019 242 HB1 ALA 24 HB1 ALA 24 54.974 15.228 -6.335 243 HB2 ALA 24 HB2 ALA 24 54.330 15.618 -4.727 244 HB3 ALA 24 HB3 ALA 24 55.429 16.747 -5.542 245 H TRP 25 HN TRP 25 51.649 15.492 -7.705 246 HA TRP 25 HA TRP 25 51.355 15.245 -10.037 247 HB2 TRP 25 HB2 TRP 25 51.089 17.730 -9.847 248 HB3 TRP 25 HB1 TRP 25 52.804 17.905 -10.285 249 HD1 TRP 25 HD1 TRP 25 49.405 16.971 -11.720 250 HE1 TRP 25 HE1 TRP 25 49.547 16.834 -14.313 251 HE3 TRP 25 HE3 TRP 25 54.477 17.404 -12.275 252 HZ2 TRP 25 HZ2 TRP 25 51.604 16.906 -16.326 253 HZ3 TRP 25 HZ3 TRP 25 55.507 17.368 -14.541 254 HH2 TRP 25 HH2 TRP 25 54.076 17.120 -16.565 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 46.238 5.536 8.241 2 H2 ALA 1 HT2 ALA 1 46.295 5.678 9.934 3 H3 ALA 1 HT3 ALA 1 46.984 4.328 9.166 4 HA ALA 1 HA ALA 1 48.800 5.583 9.657 5 HB1 ALA 1 HB1 ALA 1 49.198 5.066 7.421 6 HB2 ALA 1 HB2 ALA 1 49.225 6.846 7.313 7 HB3 ALA 1 HB3 ALA 1 47.763 5.948 6.868 8 H TRP 2 HN TRP 2 48.054 8.068 7.457 9 HA TRP 2 HA TRP 2 47.118 9.969 9.355 10 HB2 TRP 2 HB2 TRP 2 49.781 9.608 9.441 11 HB3 TRP 2 HB1 TRP 2 49.632 10.880 8.245 12 HD1 TRP 2 HD1 TRP 2 50.959 11.166 11.135 13 HE1 TRP 2 HE1 TRP 2 50.140 12.980 12.791 14 HE3 TRP 2 HE3 TRP 2 46.227 12.034 9.225 15 HZ2 TRP 2 HZ2 TRP 2 47.802 14.558 13.220 16 HZ3 TRP 2 HZ3 TRP 2 44.757 13.701 10.297 17 HH2 TRP 2 HH2 TRP 2 45.532 14.966 12.290 18 H LYS 3 HN LYS 3 47.544 8.730 6.352 19 HA LYS 3 HA LYS 3 47.223 9.572 4.212 20 HB2 LYS 3 HB2 LYS 3 45.130 10.404 4.425 21 HB3 LYS 3 HB1 LYS 3 45.519 11.414 5.836 22 HG2 LYS 3 HG2 LYS 3 46.607 13.080 4.427 23 HG3 LYS 3 HG1 LYS 3 46.444 12.032 2.994 24 HD2 LYS 3 HD2 LYS 3 44.036 12.239 3.032 25 HD3 LYS 3 HD1 LYS 3 44.073 13.047 4.616 26 HE2 LYS 3 HE2 LYS 3 45.394 14.167 2.108 27 HE3 LYS 3 HE1 LYS 3 43.763 14.623 2.658 28 HZ1 LYS 3 HZ1 LYS 3 45.402 16.185 3.468 29 HZ2 LYS 3 HZ2 LYS 3 46.293 14.937 4.199 30 HZ3 LYS 3 HZ3 LYS 3 44.742 15.326 4.773 31 H GLU 4 HN GLU 4 49.084 10.264 6.523 32 HA GLU 4 HA GLU 4 50.975 11.809 5.027 33 HB2 GLU 4 HB2 GLU 4 49.565 13.086 7.154 34 HB3 GLU 4 HB1 GLU 4 51.145 12.649 7.841 35 HG2 GLU 4 HG2 GLU 4 52.271 13.794 5.933 36 HG3 GLU 4 HG1 GLU 4 50.678 14.272 5.297 37 H LYS 5 HN LYS 5 49.938 9.499 7.649 38 HA LYS 5 HA LYS 5 52.877 8.578 7.487 39 HB2 LYS 5 HB2 LYS 5 50.459 7.534 9.052 40 HB3 LYS 5 HB1 LYS 5 51.878 6.536 8.737 41 HG2 LYS 5 HG2 LYS 5 53.319 8.046 9.923 42 HG3 LYS 5 HG1 LYS 5 52.047 9.283 10.030 43 HD2 LYS 5 HD2 LYS 5 50.695 7.796 11.462 44 HD3 LYS 5 HD1 LYS 5 51.936 6.525 11.329 45 HE2 LYS 5 HE2 LYS 5 52.394 9.308 12.496 46 HE3 LYS 5 HE1 LYS 5 52.149 7.825 13.450 47 HZ1 LYS 5 HZ1 LYS 5 54.458 8.096 13.282 48 HZ2 LYS 5 HZ2 LYS 5 54.397 8.491 11.630 49 HZ3 LYS 5 HZ3 LYS 5 54.090 6.898 12.139 50 H ILE 6 HN ILE 6 50.252 9.356 5.939 51 HA ILE 6 HA ILE 6 49.177 8.756 4.030 52 HB ILE 6 HB ILE 6 50.325 7.502 2.226 53 HG12 ILE 6 HG12 ILE 6 52.713 7.284 4.120 54 HG13 ILE 6 HG11 ILE 6 51.617 5.922 3.808 55 HG21 ILE 6 HG21 ILE 6 52.047 9.179 1.888 56 HG22 ILE 6 HG22 ILE 6 52.128 9.516 3.633 57 HG23 ILE 6 HG23 ILE 6 50.674 9.950 2.706 58 HD11 ILE 6 HD1 ILE 6 53.377 5.603 2.263 59 HD12 ILE 6 HD2 ILE 6 53.480 7.334 1.880 60 HD13 ILE 6 HD3 ILE 6 52.106 6.372 1.287 61 H ARG 7 HN ARG 7 47.371 7.867 3.949 62 HA ARG 7 HA ARG 7 46.074 5.922 3.240 63 HB2 ARG 7 HB2 ARG 7 47.995 4.328 3.477 64 HB3 ARG 7 HB1 ARG 7 47.675 4.285 5.221 65 HG2 ARG 7 HG2 ARG 7 45.552 3.250 4.925 66 HG3 ARG 7 HG1 ARG 7 45.494 3.672 3.203 67 HD2 ARG 7 HD2 ARG 7 47.590 1.810 4.379 68 HD3 ARG 7 HD1 ARG 7 46.041 1.233 3.719 69 HE ARG 7 HE ARG 7 47.390 2.941 1.815 70 HH11 ARG 7 HH11 ARG 7 49.512 0.972 2.762 71 HH12 ARG 7 HH12 ARG 7 49.307 -0.317 1.623 72 HH21 ARG 7 HH21 ARG 7 46.199 0.777 0.543 73 HH22 ARG 7 HH22 ARG 7 47.431 -0.428 0.367 74 H LYS 8 HN LYS 8 45.324 7.891 4.469 75 HA LYS 8 HA LYS 8 43.700 6.701 6.598 76 HB2 LYS 8 HB2 LYS 8 45.671 8.119 7.604 77 HB3 LYS 8 HB1 LYS 8 44.771 9.513 6.978 78 HG2 LYS 8 HG2 LYS 8 43.882 9.368 9.142 79 HG3 LYS 8 HG1 LYS 8 42.711 8.379 8.243 80 HD2 LYS 8 HD2 LYS 8 43.992 6.325 8.887 81 HD3 LYS 8 HD1 LYS 8 45.111 7.343 9.824 82 HE2 LYS 8 HE2 LYS 8 42.112 7.050 10.291 83 HE3 LYS 8 HE1 LYS 8 43.410 6.396 11.318 84 HZ1 LYS 8 HZ1 LYS 8 44.179 8.691 11.667 85 HZ2 LYS 8 HZ2 LYS 8 42.595 8.452 12.233 86 HZ3 LYS 8 HZ3 LYS 8 42.862 9.271 10.769 87 H LYS 9 HN LYS 9 44.185 8.454 3.804 88 HA LYS 9 HA LYS 9 41.567 9.879 4.010 89 HB2 LYS 9 HB2 LYS 9 43.444 10.150 2.123 90 HB3 LYS 9 HB1 LYS 9 42.496 8.831 1.332 91 HG2 LYS 9 HG2 LYS 9 41.421 11.549 2.327 92 HG3 LYS 9 HG1 LYS 9 41.840 11.178 0.641 93 HD2 LYS 9 HD2 LYS 9 40.143 9.187 0.911 94 HD3 LYS 9 HD1 LYS 9 39.554 10.107 2.320 95 HE2 LYS 9 HE2 LYS 9 38.210 10.795 0.454 96 HE3 LYS 9 HE1 LYS 9 39.346 12.125 0.783 97 HZ1 LYS 9 HZ1 LYS 9 39.232 11.618 -1.577 98 HZ2 LYS 9 HZ2 LYS 9 39.691 10.010 -1.286 99 HZ3 LYS 9 HZ3 LYS 9 40.779 11.277 -0.972 100 H LEU 10 HN LEU 10 42.936 6.828 3.745 101 HA LEU 10 HA LEU 10 40.927 5.030 4.239 102 HB2 LEU 10 HB2 LEU 10 40.736 6.243 1.476 103 HB3 LEU 10 HB1 LEU 10 40.389 4.510 1.641 104 HG LEU 10 HG LEU 10 38.913 6.309 3.587 105 HD11 LEU 10 HD11 LEU 10 37.152 6.795 2.010 106 HD12 LEU 10 HD12 LEU 10 37.905 5.782 0.756 107 HD13 LEU 10 HD13 LEU 10 38.660 7.319 1.227 108 HD21 LEU 10 HD21 LEU 10 38.156 3.793 2.045 109 HD22 LEU 10 HD22 LEU 10 37.207 4.563 3.339 110 HD23 LEU 10 HD23 LEU 10 38.787 3.830 3.709 111 H LYS 11 HN LYS 11 42.471 6.088 1.422 112 HA LYS 11 HA LYS 11 44.361 3.944 1.176 113 HB2 LYS 11 HB2 LYS 11 42.838 5.306 -0.818 114 HB3 LYS 11 HB1 LYS 11 43.923 3.925 -1.163 115 HG2 LYS 11 HG2 LYS 11 42.012 3.006 0.793 116 HG3 LYS 11 HG1 LYS 11 41.091 3.857 -0.464 117 HD2 LYS 11 HD2 LYS 11 42.242 2.469 -2.197 118 HD3 LYS 11 HD1 LYS 11 43.063 1.573 -0.896 119 HE2 LYS 11 HE2 LYS 11 41.027 0.378 -1.669 120 HE3 LYS 11 HE1 LYS 11 40.874 0.889 0.028 121 HZ1 LYS 11 HZ1 LYS 11 38.984 1.360 -1.708 122 HZ2 LYS 11 HZ2 LYS 11 39.940 2.716 -2.075 123 HZ3 LYS 11 HZ3 LYS 11 39.355 2.489 -0.497 124 H ASN 12 HN ASN 12 43.527 6.522 1.589 125 HA ASN 12 HA ASN 12 44.744 8.739 1.678 126 HB2 ASN 12 HB2 ASN 12 46.895 7.844 2.320 127 HB3 ASN 12 HB1 ASN 12 47.171 7.225 0.711 128 HD21 ASN 12 HD21 ASN 12 49.148 8.832 1.478 129 HD22 ASN 12 HD22 ASN 12 48.974 10.457 0.810 130 H GLU 13 HN GLU 13 43.133 7.308 0.007 131 HA GLU 13 HA GLU 13 42.356 7.233 -2.197 132 HB2 GLU 13 HB2 GLU 13 44.385 9.389 -2.925 133 HB3 GLU 13 HB1 GLU 13 42.801 9.055 -3.675 134 HG2 GLU 13 HG2 GLU 13 41.764 9.671 -1.391 135 HG3 GLU 13 HG1 GLU 13 43.365 10.312 -0.959 136 H ILE 14 HN ILE 14 44.544 5.492 -1.071 137 HA ILE 14 HA ILE 14 46.030 3.977 -2.071 138 HB ILE 14 HB ILE 14 46.111 5.524 -4.710 139 HG12 ILE 14 HG12 ILE 14 44.253 3.256 -3.834 140 HG13 ILE 14 HG11 ILE 14 43.755 4.884 -4.335 141 HG21 ILE 14 HG21 ILE 14 47.055 3.516 -5.587 142 HG22 ILE 14 HG22 ILE 14 46.614 2.583 -4.135 143 HG23 ILE 14 HG23 ILE 14 47.901 3.809 -4.051 144 HD11 ILE 14 HD1 ILE 14 44.905 2.654 -6.036 145 HD12 ILE 14 HD2 ILE 14 44.978 4.349 -6.578 146 HD13 ILE 14 HD3 ILE 14 43.403 3.577 -6.276 147 H LYS 15 HN LYS 15 46.287 7.456 -2.475 148 HA LYS 15 HA LYS 15 48.537 7.790 -0.915 149 HB2 LYS 15 HB2 LYS 15 49.312 6.946 -3.624 150 HB3 LYS 15 HB1 LYS 15 49.883 8.596 -3.204 151 HG2 LYS 15 HG2 LYS 15 50.917 7.700 -1.135 152 HG3 LYS 15 HG1 LYS 15 50.378 6.060 -1.548 153 HD2 LYS 15 HD2 LYS 15 52.201 7.775 -3.293 154 HD3 LYS 15 HD1 LYS 15 52.772 6.513 -2.178 155 HE2 LYS 15 HE2 LYS 15 52.657 5.292 -4.170 156 HE3 LYS 15 HE1 LYS 15 51.019 4.998 -3.544 157 HZ1 LYS 15 HZ1 LYS 15 51.575 6.006 -5.971 158 HZ2 LYS 15 HZ2 LYS 15 51.321 7.435 -5.086 159 HZ3 LYS 15 HZ3 LYS 15 50.109 6.245 -5.150 160 H LYS 16 HN LYS 16 49.021 9.794 -0.696 161 HA LYS 16 HA LYS 16 47.901 11.846 -0.845 162 HB2 LYS 16 HB2 LYS 16 50.007 12.041 -2.689 163 HB3 LYS 16 HB1 LYS 16 49.448 13.372 -1.688 164 HG2 LYS 16 HG2 LYS 16 50.591 10.777 -0.563 165 HG3 LYS 16 HG1 LYS 16 51.588 12.199 -0.907 166 HD2 LYS 16 HD2 LYS 16 49.178 12.238 0.980 167 HD3 LYS 16 HD1 LYS 16 50.848 11.988 1.507 168 HE2 LYS 16 HE2 LYS 16 51.340 14.231 0.234 169 HE3 LYS 16 HE1 LYS 16 49.581 14.482 0.354 170 HZ1 LYS 16 HZ1 LYS 16 49.788 14.992 2.483 171 HZ2 LYS 16 HZ2 LYS 16 51.477 14.959 2.301 172 HZ3 LYS 16 HZ3 LYS 16 50.648 13.569 2.820 173 H LYS 17 HN LYS 17 48.755 11.774 -3.465 174 HA LYS 17 HA LYS 17 46.053 12.108 -4.770 175 HB2 LYS 17 HB2 LYS 17 48.387 13.926 -5.513 176 HB3 LYS 17 HB1 LYS 17 46.736 13.977 -6.153 177 HG2 LYS 17 HG2 LYS 17 47.396 14.478 -3.217 178 HG3 LYS 17 HG1 LYS 17 47.298 15.774 -4.417 179 HD2 LYS 17 HD2 LYS 17 44.955 14.970 -4.978 180 HD3 LYS 17 HD1 LYS 17 45.068 13.877 -3.580 181 HE2 LYS 17 HE2 LYS 17 45.287 16.915 -3.539 182 HE3 LYS 17 HE1 LYS 17 43.957 15.932 -2.881 183 HZ1 LYS 17 HZ1 LYS 17 46.421 16.630 -1.673 184 HZ2 LYS 17 HZ2 LYS 17 46.305 14.939 -1.784 185 HZ3 LYS 17 HZ3 LYS 17 45.090 15.828 -0.994 186 H GLY 18 HN GLY 18 48.524 10.594 -3.867 187 HA2 GLY 18 HA1 GLY 18 49.000 8.483 -5.315 188 HA3 GLY 18 HA2 GLY 18 49.217 9.565 -6.704 189 H ARG 19 HN ARG 19 50.180 10.432 -3.503 190 HA ARG 19 HA ARG 19 52.595 10.094 -2.674 191 HB2 ARG 19 HB2 ARG 19 53.442 9.351 -5.006 192 HB3 ARG 19 HB1 ARG 19 53.216 11.097 -5.569 193 HG2 ARG 19 HG2 ARG 19 54.946 11.811 -4.066 194 HG3 ARG 19 HG1 ARG 19 54.895 10.341 -3.077 195 HD2 ARG 19 HD2 ARG 19 56.080 9.064 -4.662 196 HD3 ARG 19 HD1 ARG 19 55.667 10.152 -6.007 197 HE ARG 19 HE ARG 19 57.596 11.385 -5.460 198 HH11 ARG 19 HH11 ARG 19 58.289 12.747 -3.564 199 HH12 ARG 19 HH12 ARG 19 58.789 11.844 -2.174 200 HH21 ARG 19 HH21 ARG 19 57.450 8.853 -3.305 201 HH22 ARG 19 HH22 ARG 19 58.315 9.639 -2.027 202 H LYS 20 HN LYS 20 51.113 11.906 -5.004 203 HA LYS 20 HA LYS 20 51.029 13.876 -5.729 204 HB2 LYS 20 HB2 LYS 20 50.626 15.669 -4.705 205 HB3 LYS 20 HB1 LYS 20 49.756 14.406 -3.836 206 HG2 LYS 20 HG2 LYS 20 51.628 14.458 -2.077 207 HG3 LYS 20 HG1 LYS 20 52.204 15.941 -2.852 208 HD2 LYS 20 HD2 LYS 20 49.333 15.680 -1.899 209 HD3 LYS 20 HD1 LYS 20 50.637 16.235 -0.827 210 HE2 LYS 20 HE2 LYS 20 49.830 17.511 -3.479 211 HE3 LYS 20 HE1 LYS 20 49.496 18.157 -1.858 212 HZ1 LYS 20 HZ1 LYS 20 52.151 17.774 -3.137 213 HZ2 LYS 20 HZ2 LYS 20 51.949 18.145 -1.492 214 HZ3 LYS 20 HZ3 LYS 20 51.423 19.237 -2.683 215 H ALA 21 HN ALA 21 52.330 13.485 -6.551 216 HA ALA 21 HA ALA 21 54.346 15.066 -7.131 217 HB1 ALA 21 HB1 ALA 21 56.422 14.012 -6.612 218 HB2 ALA 21 HB2 ALA 21 55.614 12.482 -6.212 219 HB3 ALA 21 HB3 ALA 21 55.533 13.853 -5.082 220 H VAL 22 HN VAL 22 52.042 13.195 -6.879 221 HA VAL 22 HA VAL 22 52.483 12.308 -9.752 222 HB VAL 22 HB VAL 22 50.835 10.908 -7.619 223 HG11 VAL 22 HG11 VAL 22 50.216 9.375 -9.668 224 HG12 VAL 22 HG12 VAL 22 50.660 10.797 -10.641 225 HG13 VAL 22 HG13 VAL 22 49.342 10.907 -9.450 226 HG21 VAL 22 HG21 VAL 22 52.136 8.897 -8.384 227 HG22 VAL 22 HG22 VAL 22 53.190 10.183 -7.751 228 HG23 VAL 22 HG23 VAL 22 53.030 9.949 -9.506 229 H ILE 23 HN ILE 23 51.747 14.529 -7.734 230 HA ILE 23 HA ILE 23 50.026 15.586 -9.713 231 HB ILE 23 HB ILE 23 48.464 14.328 -7.711 232 HG12 ILE 23 HG12 ILE 23 47.817 14.835 -10.080 233 HG13 ILE 23 HG11 ILE 23 46.548 15.210 -8.894 234 HG21 ILE 23 HG21 ILE 23 47.186 16.240 -6.715 235 HG22 ILE 23 HG22 ILE 23 48.405 17.362 -7.352 236 HG23 ILE 23 HG23 ILE 23 48.861 16.155 -6.136 237 HD11 ILE 23 HD1 ILE 23 47.114 16.972 -10.778 238 HD12 ILE 23 HD2 ILE 23 48.502 17.375 -9.740 239 HD13 ILE 23 HD3 ILE 23 46.844 17.539 -9.114 240 H ALA 24 HN ALA 24 51.769 15.486 -6.911 241 HA ALA 24 HA ALA 24 52.117 18.382 -7.128 242 HB1 ALA 24 HB1 ALA 24 53.591 18.345 -5.326 243 HB2 ALA 24 HB2 ALA 24 54.149 16.709 -5.696 244 HB3 ALA 24 HB3 ALA 24 52.580 16.955 -4.914 245 H TRP 25 HN TRP 25 52.458 15.384 -8.510 246 HA TRP 25 HA TRP 25 53.848 16.614 -10.794 247 HB2 TRP 25 HB2 TRP 25 55.699 15.117 -8.917 248 HB3 TRP 25 HB1 TRP 25 55.953 14.962 -10.658 249 HD1 TRP 25 HD1 TRP 25 55.919 17.519 -11.950 250 HE1 TRP 25 HE1 TRP 25 57.251 19.636 -11.239 251 HE3 TRP 25 HE3 TRP 25 56.768 16.329 -7.043 252 HZ2 TRP 25 HZ2 TRP 25 58.504 20.647 -8.851 253 HZ3 TRP 25 HZ3 TRP 25 58.033 17.885 -5.567 254 HH2 TRP 25 HH2 TRP 25 58.901 20.040 -6.465 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 52.086 0.414 9.175 2 H2 ALA 1 HT2 ALA 1 50.468 0.600 9.658 3 H3 ALA 1 HT3 ALA 1 51.728 0.908 10.756 4 HA ALA 1 HA ALA 1 51.696 2.992 10.191 5 HB1 ALA 1 HB1 ALA 1 52.195 2.164 7.315 6 HB2 ALA 1 HB2 ALA 1 53.449 2.021 8.576 7 HB3 ALA 1 HB3 ALA 1 52.771 3.617 8.170 8 H TRP 2 HN TRP 2 51.030 4.197 7.612 9 HA TRP 2 HA TRP 2 48.198 3.542 7.332 10 HB2 TRP 2 HB2 TRP 2 49.091 6.355 7.307 11 HB3 TRP 2 HB1 TRP 2 47.438 5.769 7.328 12 HD1 TRP 2 HD1 TRP 2 46.307 5.777 9.560 13 HE1 TRP 2 HE1 TRP 2 46.997 5.805 12.061 14 HE3 TRP 2 HE3 TRP 2 51.417 5.408 9.031 15 HZ2 TRP 2 HZ2 TRP 2 49.416 5.692 13.591 16 HZ3 TRP 2 HZ3 TRP 2 52.874 5.380 11.034 17 HH2 TRP 2 HH2 TRP 2 51.885 5.517 13.313 18 H LYS 3 HN LYS 3 49.210 2.295 5.621 19 HA LYS 3 HA LYS 3 49.516 2.077 3.357 20 HB2 LYS 3 HB2 LYS 3 48.263 3.850 2.366 21 HB3 LYS 3 HB1 LYS 3 49.446 4.968 3.000 22 HG2 LYS 3 HG2 LYS 3 49.682 4.450 0.536 23 HG3 LYS 3 HG1 LYS 3 51.155 4.253 1.511 24 HD2 LYS 3 HD2 LYS 3 50.964 1.876 1.517 25 HD3 LYS 3 HD1 LYS 3 49.263 1.928 0.991 26 HE2 LYS 3 HE2 LYS 3 50.948 1.289 -0.819 27 HE3 LYS 3 HE1 LYS 3 49.887 2.660 -1.221 28 HZ1 LYS 3 HZ1 LYS 3 51.615 4.047 -1.282 29 HZ2 LYS 3 HZ2 LYS 3 52.608 2.669 -1.316 30 HZ3 LYS 3 HZ3 LYS 3 52.284 3.450 0.158 31 H GLU 4 HN GLU 4 50.614 4.962 4.539 32 HA GLU 4 HA GLU 4 52.670 4.207 5.846 33 HB2 GLU 4 HB2 GLU 4 53.737 3.803 3.470 34 HB3 GLU 4 HB1 GLU 4 54.003 5.556 3.563 35 HG2 GLU 4 HG2 GLU 4 54.944 3.588 5.696 36 HG3 GLU 4 HG1 GLU 4 55.964 4.164 4.356 37 H LYS 5 HN LYS 5 50.990 5.325 7.006 38 HA LYS 5 HA LYS 5 50.792 7.424 8.211 39 HB2 LYS 5 HB2 LYS 5 53.522 7.559 7.694 40 HB3 LYS 5 HB1 LYS 5 52.941 8.916 6.704 41 HG2 LYS 5 HG2 LYS 5 51.747 9.828 8.703 42 HG3 LYS 5 HG1 LYS 5 52.412 8.499 9.682 43 HD2 LYS 5 HD2 LYS 5 54.725 9.248 9.030 44 HD3 LYS 5 HD1 LYS 5 53.995 10.649 8.210 45 HE2 LYS 5 HE2 LYS 5 52.925 11.317 10.371 46 HE3 LYS 5 HE1 LYS 5 53.755 9.962 11.172 47 HZ1 LYS 5 HZ1 LYS 5 55.864 10.988 10.200 48 HZ2 LYS 5 HZ2 LYS 5 55.141 11.786 11.514 49 HZ3 LYS 5 HZ3 LYS 5 54.936 12.382 9.936 50 H ILE 6 HN ILE 6 50.898 6.219 5.242 51 HA ILE 6 HA ILE 6 49.549 8.722 3.929 52 HB ILE 6 HB ILE 6 50.984 6.262 2.871 53 HG12 ILE 6 HG12 ILE 6 51.160 9.224 2.256 54 HG13 ILE 6 HG11 ILE 6 52.176 8.355 3.424 55 HG21 ILE 6 HG21 ILE 6 50.308 6.697 0.622 56 HG22 ILE 6 HG22 ILE 6 49.394 8.138 1.094 57 HG23 ILE 6 HG23 ILE 6 48.810 6.521 1.540 58 HD11 ILE 6 HD1 ILE 6 52.718 6.772 1.372 59 HD12 ILE 6 HD2 ILE 6 53.525 8.351 1.492 60 HD13 ILE 6 HD3 ILE 6 52.139 8.146 0.398 61 H ARG 7 HN ARG 7 48.228 5.143 3.479 62 HA ARG 7 HA ARG 7 45.708 5.801 3.050 63 HB2 ARG 7 HB2 ARG 7 45.721 3.548 3.249 64 HB3 ARG 7 HB1 ARG 7 47.117 3.589 4.295 65 HG2 ARG 7 HG2 ARG 7 45.818 3.692 6.284 66 HG3 ARG 7 HG1 ARG 7 44.326 4.076 5.395 67 HD2 ARG 7 HD2 ARG 7 44.217 1.743 5.999 68 HD3 ARG 7 HD1 ARG 7 44.575 1.787 4.261 69 HE ARG 7 HE ARG 7 46.742 0.925 4.722 70 HH11 ARG 7 HH11 ARG 7 48.137 -0.177 6.123 71 HH12 ARG 7 HH12 ARG 7 47.961 0.027 7.834 72 HH21 ARG 7 HH21 ARG 7 45.194 2.101 7.568 73 HH22 ARG 7 HH22 ARG 7 46.294 1.318 8.652 74 H LYS 8 HN LYS 8 45.620 7.906 3.783 75 HA LYS 8 HA LYS 8 44.476 8.007 6.483 76 HB2 LYS 8 HB2 LYS 8 45.307 10.255 6.847 77 HB3 LYS 8 HB1 LYS 8 46.704 9.272 6.350 78 HG2 LYS 8 HG2 LYS 8 46.177 10.028 3.938 79 HG3 LYS 8 HG1 LYS 8 45.083 11.225 4.669 80 HD2 LYS 8 HD2 LYS 8 47.004 12.064 6.056 81 HD3 LYS 8 HD1 LYS 8 48.077 10.951 5.173 82 HE2 LYS 8 HE2 LYS 8 47.615 12.058 3.069 83 HE3 LYS 8 HE1 LYS 8 46.338 13.049 3.813 84 HZ1 LYS 8 HZ1 LYS 8 49.104 13.558 3.683 85 HZ2 LYS 8 HZ2 LYS 8 48.667 13.392 5.316 86 HZ3 LYS 8 HZ3 LYS 8 47.879 14.533 4.335 87 H LYS 9 HN LYS 9 44.590 8.827 3.198 88 HA LYS 9 HA LYS 9 41.878 10.097 3.482 89 HB2 LYS 9 HB2 LYS 9 43.337 10.416 1.288 90 HB3 LYS 9 HB1 LYS 9 42.697 8.785 0.873 91 HG2 LYS 9 HG2 LYS 9 41.057 10.169 -0.073 92 HG3 LYS 9 HG1 LYS 9 40.357 9.909 1.535 93 HD2 LYS 9 HD2 LYS 9 41.343 12.059 2.307 94 HD3 LYS 9 HD1 LYS 9 42.034 12.313 0.687 95 HE2 LYS 9 HE2 LYS 9 39.947 13.561 0.842 96 HE3 LYS 9 HE1 LYS 9 39.705 12.187 -0.262 97 HZ1 LYS 9 HZ1 LYS 9 38.074 12.733 1.758 98 HZ2 LYS 9 HZ2 LYS 9 39.160 11.703 2.562 99 HZ3 LYS 9 HZ3 LYS 9 38.332 11.158 1.183 100 H LEU 10 HN LEU 10 43.598 7.079 3.643 101 HA LEU 10 HA LEU 10 41.830 5.262 4.656 102 HB2 LEU 10 HB2 LEU 10 41.051 5.993 1.838 103 HB3 LEU 10 HB1 LEU 10 40.780 4.319 2.400 104 HG LEU 10 HG LEU 10 39.661 6.532 4.168 105 HD11 LEU 10 HD11 LEU 10 38.066 5.271 1.895 106 HD12 LEU 10 HD12 LEU 10 38.864 6.846 1.709 107 HD13 LEU 10 HD13 LEU 10 37.605 6.632 2.944 108 HD21 LEU 10 HD21 LEU 10 38.780 3.689 3.517 109 HD22 LEU 10 HD22 LEU 10 38.064 4.759 4.748 110 HD23 LEU 10 HD23 LEU 10 39.734 4.175 4.939 111 H LYS 11 HN LYS 11 42.830 6.160 1.634 112 HA LYS 11 HA LYS 11 44.717 4.096 1.125 113 HB2 LYS 11 HB2 LYS 11 42.888 5.418 -0.644 114 HB3 LYS 11 HB1 LYS 11 43.875 3.996 -1.104 115 HG2 LYS 11 HG2 LYS 11 42.342 3.060 1.074 116 HG3 LYS 11 HG1 LYS 11 41.206 4.088 0.168 117 HD2 LYS 11 HD2 LYS 11 41.639 2.828 -1.884 118 HD3 LYS 11 HD1 LYS 11 42.875 1.849 -1.056 119 HE2 LYS 11 HE2 LYS 11 39.936 1.985 -0.253 120 HE3 LYS 11 HE1 LYS 11 40.671 0.674 -1.207 121 HZ1 LYS 11 HZ1 LYS 11 40.738 1.117 1.612 122 HZ2 LYS 11 HZ2 LYS 11 42.310 0.990 0.979 123 HZ3 LYS 11 HZ3 LYS 11 41.186 -0.259 0.727 124 H ASN 12 HN ASN 12 43.780 6.608 1.709 125 HA ASN 12 HA ASN 12 44.813 8.920 1.577 126 HB2 ASN 12 HB2 ASN 12 46.909 7.520 2.042 127 HB3 ASN 12 HB1 ASN 12 47.254 7.809 0.350 128 HD21 ASN 12 HD21 ASN 12 45.770 10.481 0.502 129 HD22 ASN 12 HD22 ASN 12 46.906 11.563 1.313 130 H GLU 13 HN GLU 13 43.455 7.162 -0.256 131 HA GLU 13 HA GLU 13 42.523 7.304 -2.399 132 HB2 GLU 13 HB2 GLU 13 44.732 9.272 -3.150 133 HB3 GLU 13 HB1 GLU 13 43.268 8.889 -4.073 134 HG2 GLU 13 HG2 GLU 13 41.855 9.811 -2.255 135 HG3 GLU 13 HG1 GLU 13 43.318 10.272 -1.355 136 H ILE 14 HN ILE 14 44.616 5.465 -1.234 137 HA ILE 14 HA ILE 14 45.870 3.735 -2.206 138 HB ILE 14 HB ILE 14 46.091 5.189 -4.894 139 HG12 ILE 14 HG12 ILE 14 44.000 3.178 -3.918 140 HG13 ILE 14 HG11 ILE 14 43.687 4.812 -4.531 141 HG21 ILE 14 HG21 ILE 14 47.701 3.321 -4.194 142 HG22 ILE 14 HG22 ILE 14 46.819 3.066 -5.712 143 HG23 ILE 14 HG23 ILE 14 46.297 2.232 -4.229 144 HD11 ILE 14 HD1 ILE 14 44.588 2.363 -6.071 145 HD12 ILE 14 HD2 ILE 14 44.837 4.002 -6.721 146 HD13 ILE 14 HD3 ILE 14 43.191 3.419 -6.377 147 H LYS 15 HN LYS 15 46.379 7.144 -2.530 148 HA LYS 15 HA LYS 15 48.770 7.157 -1.070 149 HB2 LYS 15 HB2 LYS 15 49.209 6.659 -3.944 150 HB3 LYS 15 HB1 LYS 15 49.899 8.227 -3.405 151 HG2 LYS 15 HG2 LYS 15 51.095 7.013 -1.571 152 HG3 LYS 15 HG1 LYS 15 50.480 5.466 -2.191 153 HD2 LYS 15 HD2 LYS 15 52.137 7.434 -3.832 154 HD3 LYS 15 HD1 LYS 15 52.822 6.040 -2.968 155 HE2 LYS 15 HE2 LYS 15 51.044 4.636 -4.310 156 HE3 LYS 15 HE1 LYS 15 50.972 6.063 -5.372 157 HZ1 LYS 15 HZ1 LYS 15 53.213 4.232 -4.855 158 HZ2 LYS 15 HZ2 LYS 15 53.550 5.846 -5.266 159 HZ3 LYS 15 HZ3 LYS 15 52.652 4.866 -6.324 160 H LYS 16 HN LYS 16 49.285 9.234 -0.658 161 HA LYS 16 HA LYS 16 48.188 11.284 -0.577 162 HB2 LYS 16 HB2 LYS 16 50.577 11.026 -1.781 163 HB3 LYS 16 HB1 LYS 16 49.805 12.519 -2.326 164 HG2 LYS 16 HG2 LYS 16 51.171 13.100 -0.421 165 HG3 LYS 16 HG1 LYS 16 49.498 13.092 0.170 166 HD2 LYS 16 HD2 LYS 16 49.891 10.696 0.920 167 HD3 LYS 16 HD1 LYS 16 51.607 10.924 0.513 168 HE2 LYS 16 HE2 LYS 16 49.966 12.303 2.658 169 HE3 LYS 16 HE1 LYS 16 51.537 11.482 2.811 170 HZ1 LYS 16 HZ1 LYS 16 52.170 13.667 2.799 171 HZ2 LYS 16 HZ2 LYS 16 50.922 14.160 1.758 172 HZ3 LYS 16 HZ3 LYS 16 52.269 13.329 1.141 173 H LYS 17 HN LYS 17 48.807 11.426 -3.262 174 HA LYS 17 HA LYS 17 45.949 11.700 -4.198 175 HB2 LYS 17 HB2 LYS 17 47.198 14.099 -3.704 176 HB3 LYS 17 HB1 LYS 17 47.777 13.788 -5.349 177 HG2 LYS 17 HG2 LYS 17 45.779 14.980 -5.740 178 HG3 LYS 17 HG1 LYS 17 45.233 13.291 -5.872 179 HD2 LYS 17 HD2 LYS 17 44.654 13.448 -3.361 180 HD3 LYS 17 HD1 LYS 17 44.918 15.199 -3.518 181 HE2 LYS 17 HE2 LYS 17 43.223 15.273 -5.345 182 HE3 LYS 17 HE1 LYS 17 42.927 13.533 -5.119 183 HZ1 LYS 17 HZ1 LYS 17 42.029 15.770 -3.544 184 HZ2 LYS 17 HZ2 LYS 17 42.722 14.535 -2.607 185 HZ3 LYS 17 HZ3 LYS 17 41.415 14.191 -3.637 186 H GLY 18 HN GLY 18 48.496 10.287 -3.741 187 HA2 GLY 18 HA1 GLY 18 48.845 8.348 -5.471 188 HA3 GLY 18 HA2 GLY 18 48.998 9.600 -6.725 189 H ARG 19 HN ARG 19 50.028 10.386 -3.637 190 HA ARG 19 HA ARG 19 52.423 9.999 -2.795 191 HB2 ARG 19 HB2 ARG 19 53.251 9.273 -5.159 192 HB3 ARG 19 HB1 ARG 19 53.084 11.028 -5.652 193 HG2 ARG 19 HG2 ARG 19 55.423 10.376 -5.003 194 HG3 ARG 19 HG1 ARG 19 54.764 11.588 -3.891 195 HD2 ARG 19 HD2 ARG 19 54.663 10.076 -2.106 196 HD3 ARG 19 HD1 ARG 19 54.457 8.666 -3.175 197 HE ARG 19 HE ARG 19 56.803 8.478 -3.246 198 HH11 ARG 19 HH11 ARG 19 56.118 10.812 -1.014 199 HH12 ARG 19 HH12 ARG 19 57.589 11.709 -1.199 200 HH21 ARG 19 HH21 ARG 19 58.593 9.985 -4.035 201 HH22 ARG 19 HH22 ARG 19 58.990 11.240 -2.910 202 H LYS 20 HN LYS 20 50.805 11.878 -5.055 203 HA LYS 20 HA LYS 20 50.786 13.926 -5.729 204 HB2 LYS 20 HB2 LYS 20 50.241 15.602 -4.605 205 HB3 LYS 20 HB1 LYS 20 49.446 14.247 -3.829 206 HG2 LYS 20 HG2 LYS 20 51.615 14.415 -2.196 207 HG3 LYS 20 HG1 LYS 20 51.546 16.100 -2.707 208 HD2 LYS 20 HD2 LYS 20 49.128 14.647 -1.561 209 HD3 LYS 20 HD1 LYS 20 50.281 15.555 -0.558 210 HE2 LYS 20 HE2 LYS 20 48.380 16.993 -1.148 211 HE3 LYS 20 HE1 LYS 20 49.855 17.584 -1.948 212 HZ1 LYS 20 HZ1 LYS 20 48.189 15.640 -3.380 213 HZ2 LYS 20 HZ2 LYS 20 49.126 16.921 -3.984 214 HZ3 LYS 20 HZ3 LYS 20 47.619 17.233 -3.265 215 H ALA 21 HN ALA 21 52.150 13.477 -6.407 216 HA ALA 21 HA ALA 21 54.203 15.062 -6.904 217 HB1 ALA 21 HB1 ALA 21 56.218 14.120 -6.108 218 HB2 ALA 21 HB2 ALA 21 55.480 12.511 -5.947 219 HB3 ALA 21 HB3 ALA 21 55.166 13.761 -4.720 220 H VAL 22 HN VAL 22 51.865 13.209 -6.773 221 HA VAL 22 HA VAL 22 52.459 12.365 -9.629 222 HB VAL 22 HB VAL 22 50.795 10.826 -7.605 223 HG11 VAL 22 HG11 VAL 22 50.622 10.894 -10.624 224 HG12 VAL 22 HG12 VAL 22 49.304 10.890 -9.428 225 HG13 VAL 22 HG13 VAL 22 50.214 9.399 -9.748 226 HG21 VAL 22 HG21 VAL 22 52.982 9.965 -9.549 227 HG22 VAL 22 HG22 VAL 22 52.117 8.873 -8.445 228 HG23 VAL 22 HG23 VAL 22 53.178 10.141 -7.794 229 H ILE 23 HN ILE 23 51.621 14.478 -7.543 230 HA ILE 23 HA ILE 23 49.810 15.546 -9.470 231 HB ILE 23 HB ILE 23 48.622 15.375 -6.691 232 HG12 ILE 23 HG12 ILE 23 48.373 13.194 -8.053 233 HG13 ILE 23 HG11 ILE 23 46.873 13.931 -7.508 234 HG21 ILE 23 HG21 ILE 23 48.051 17.460 -7.677 235 HG22 ILE 23 HG22 ILE 23 46.617 16.427 -7.887 236 HG23 ILE 23 HG23 ILE 23 47.719 16.711 -9.257 237 HD11 ILE 23 HD1 ILE 23 47.995 14.463 -10.282 238 HD12 ILE 23 HD2 ILE 23 46.367 14.812 -9.668 239 HD13 ILE 23 HD3 ILE 23 46.880 13.130 -9.926 240 H ALA 24 HN ALA 24 51.555 15.486 -6.665 241 HA ALA 24 HA ALA 24 51.865 18.381 -6.906 242 HB1 ALA 24 HB1 ALA 24 53.332 18.364 -5.090 243 HB2 ALA 24 HB2 ALA 24 53.864 16.709 -5.421 244 HB3 ALA 24 HB3 ALA 24 52.278 17.002 -4.684 245 H TRP 25 HN TRP 25 52.281 15.413 -8.330 246 HA TRP 25 HA TRP 25 53.748 16.693 -10.524 247 HB2 TRP 25 HB2 TRP 25 55.730 16.753 -9.073 248 HB3 TRP 25 HB1 TRP 25 55.623 15.014 -8.797 249 HD1 TRP 25 HD1 TRP 25 55.741 17.372 -11.877 250 HE1 TRP 25 HE1 TRP 25 57.290 16.322 -13.683 251 HE3 TRP 25 HE3 TRP 25 56.996 13.043 -9.446 252 HZ2 TRP 25 HZ2 TRP 25 58.850 13.921 -13.997 253 HZ3 TRP 25 HZ3 TRP 25 58.516 11.388 -10.518 254 HH2 TRP 25 HH2 TRP 25 59.443 11.823 -12.789 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 46.850 6.253 8.898 2 H2 ALA 1 HT2 ALA 1 47.464 5.969 10.458 3 H3 ALA 1 HT3 ALA 1 47.760 4.857 9.207 4 HA ALA 1 HA ALA 1 49.696 6.172 9.671 5 HB1 ALA 1 HB1 ALA 1 48.248 6.478 7.035 6 HB2 ALA 1 HB2 ALA 1 49.609 5.409 7.439 7 HB3 ALA 1 HB3 ALA 1 49.869 7.163 7.266 8 H TRP 2 HN TRP 2 48.982 8.530 7.456 9 HA TRP 2 HA TRP 2 48.126 10.542 9.328 10 HB2 TRP 2 HB2 TRP 2 50.707 10.312 9.338 11 HB3 TRP 2 HB1 TRP 2 50.551 11.134 7.785 12 HD1 TRP 2 HD1 TRP 2 47.885 12.801 9.371 13 HE1 TRP 2 HE1 TRP 2 48.576 14.925 10.676 14 HE3 TRP 2 HE3 TRP 2 52.919 11.911 9.780 15 HZ2 TRP 2 HZ2 TRP 2 50.986 16.071 11.745 16 HZ3 TRP 2 HZ3 TRP 2 54.392 13.541 10.949 17 HH2 TRP 2 HH2 TRP 2 53.431 15.620 11.931 18 H LYS 3 HN LYS 3 48.255 9.092 6.418 19 HA LYS 3 HA LYS 3 47.535 9.682 4.314 20 HB2 LYS 3 HB2 LYS 3 45.601 10.766 4.396 21 HB3 LYS 3 HB1 LYS 3 45.978 11.482 5.970 22 HG2 LYS 3 HG2 LYS 3 47.258 13.309 4.820 23 HG3 LYS 3 HG1 LYS 3 46.814 12.598 3.248 24 HD2 LYS 3 HD2 LYS 3 44.505 13.065 3.567 25 HD3 LYS 3 HD1 LYS 3 44.721 13.403 5.300 26 HE2 LYS 3 HE2 LYS 3 45.882 15.457 4.844 27 HE3 LYS 3 HE1 LYS 3 46.058 15.054 3.119 28 HZ1 LYS 3 HZ1 LYS 3 43.336 15.082 4.141 29 HZ2 LYS 3 HZ2 LYS 3 43.958 15.672 2.674 30 HZ3 LYS 3 HZ3 LYS 3 44.108 16.592 4.095 31 H GLU 4 HN GLU 4 49.689 10.637 6.301 32 HA GLU 4 HA GLU 4 51.419 11.907 4.371 33 HB2 GLU 4 HB2 GLU 4 50.400 13.390 6.569 34 HB3 GLU 4 HB1 GLU 4 52.009 12.863 7.108 35 HG2 GLU 4 HG2 GLU 4 52.918 13.760 4.892 36 HG3 GLU 4 HG1 GLU 4 51.318 14.493 4.627 37 H LYS 5 HN LYS 5 50.634 9.828 7.258 38 HA LYS 5 HA LYS 5 53.467 8.714 6.814 39 HB2 LYS 5 HB2 LYS 5 51.234 8.210 8.786 40 HB3 LYS 5 HB1 LYS 5 52.070 6.768 8.204 41 HG2 LYS 5 HG2 LYS 5 53.673 9.156 9.189 42 HG3 LYS 5 HG1 LYS 5 52.964 8.020 10.360 43 HD2 LYS 5 HD2 LYS 5 54.148 6.143 9.335 44 HD3 LYS 5 HD1 LYS 5 54.774 7.194 8.044 45 HE2 LYS 5 HE2 LYS 5 56.060 8.497 9.652 46 HE3 LYS 5 HE1 LYS 5 55.335 7.605 11.011 47 HZ1 LYS 5 HZ1 LYS 5 56.354 5.682 9.319 48 HZ2 LYS 5 HZ2 LYS 5 57.008 6.182 10.805 49 HZ3 LYS 5 HZ3 LYS 5 57.543 6.890 9.357 50 H ILE 6 HN ILE 6 50.677 9.552 5.503 51 HA ILE 6 HA ILE 6 49.361 8.850 3.716 52 HB ILE 6 HB ILE 6 50.465 8.171 1.824 53 HG12 ILE 6 HG12 ILE 6 51.840 5.947 3.417 54 HG13 ILE 6 HG11 ILE 6 50.481 5.758 2.292 55 HG21 ILE 6 HG21 ILE 6 52.976 8.165 3.532 56 HG22 ILE 6 HG22 ILE 6 52.040 9.649 3.231 57 HG23 ILE 6 HG23 ILE 6 52.757 8.758 1.870 58 HD11 ILE 6 HD1 ILE 6 52.055 6.834 0.525 59 HD12 ILE 6 HD2 ILE 6 52.380 5.154 1.011 60 HD13 ILE 6 HD3 ILE 6 53.363 6.479 1.677 61 H ARG 7 HN ARG 7 47.604 8.004 3.974 62 HA ARG 7 HA ARG 7 46.259 6.009 3.605 63 HB2 ARG 7 HB2 ARG 7 48.118 4.390 3.845 64 HB3 ARG 7 HB1 ARG 7 48.009 4.598 5.607 65 HG2 ARG 7 HG2 ARG 7 45.746 3.721 5.629 66 HG3 ARG 7 HG1 ARG 7 45.666 3.749 3.852 67 HD2 ARG 7 HD2 ARG 7 47.623 2.064 5.472 68 HD3 ARG 7 HD1 ARG 7 46.102 1.459 4.774 69 HE ARG 7 HE ARG 7 47.666 2.719 2.718 70 HH11 ARG 7 HH11 ARG 7 46.949 0.570 1.427 71 HH12 ARG 7 HH12 ARG 7 48.036 -0.731 1.780 72 HH21 ARG 7 HH21 ARG 7 49.334 0.772 4.622 73 HH22 ARG 7 HH22 ARG 7 49.385 -0.618 3.589 74 H LYS 8 HN LYS 8 45.350 7.881 4.390 75 HA LYS 8 HA LYS 8 43.937 7.060 6.742 76 HB2 LYS 8 HB2 LYS 8 46.005 8.960 7.142 77 HB3 LYS 8 HB1 LYS 8 44.535 9.949 7.046 78 HG2 LYS 8 HG2 LYS 8 44.830 7.516 8.869 79 HG3 LYS 8 HG1 LYS 8 45.146 9.188 9.386 80 HD2 LYS 8 HD2 LYS 8 42.822 9.815 8.758 81 HD3 LYS 8 HD1 LYS 8 42.503 8.130 8.285 82 HE2 LYS 8 HE2 LYS 8 43.297 9.091 11.068 83 HE3 LYS 8 HE1 LYS 8 41.681 8.537 10.570 84 HZ1 LYS 8 HZ1 LYS 8 42.416 6.548 11.242 85 HZ2 LYS 8 HZ2 LYS 8 44.052 7.003 11.195 86 HZ3 LYS 8 HZ3 LYS 8 43.265 6.504 9.774 87 H LYS 9 HN LYS 9 44.358 8.511 3.734 88 HA LYS 9 HA LYS 9 41.604 9.794 3.929 89 HB2 LYS 9 HB2 LYS 9 42.695 8.590 1.348 90 HB3 LYS 9 HB1 LYS 9 41.398 9.769 1.546 91 HG2 LYS 9 HG2 LYS 9 43.996 10.712 2.690 92 HG3 LYS 9 HG1 LYS 9 44.016 10.481 0.938 93 HD2 LYS 9 HD2 LYS 9 43.363 12.797 1.518 94 HD3 LYS 9 HD1 LYS 9 42.049 11.944 0.684 95 HE2 LYS 9 HE2 LYS 9 41.363 13.345 2.713 96 HE3 LYS 9 HE1 LYS 9 40.805 11.664 2.727 97 HZ1 LYS 9 HZ1 LYS 9 43.323 11.721 3.931 98 HZ2 LYS 9 HZ2 LYS 9 41.824 11.427 4.667 99 HZ3 LYS 9 HZ3 LYS 9 42.441 13.006 4.591 100 H LEU 10 HN LEU 10 43.101 6.840 4.085 101 HA LEU 10 HA LEU 10 41.483 4.906 4.780 102 HB2 LEU 10 HB2 LEU 10 39.649 5.813 3.362 103 HB3 LEU 10 HB1 LEU 10 40.763 5.634 1.933 104 HG LEU 10 HG LEU 10 40.646 3.131 2.293 105 HD11 LEU 10 HD11 LEU 10 40.478 2.811 4.625 106 HD12 LEU 10 HD12 LEU 10 38.871 2.341 4.039 107 HD13 LEU 10 HD13 LEU 10 39.111 3.941 4.778 108 HD21 LEU 10 HD21 LEU 10 37.785 4.137 2.495 109 HD22 LEU 10 HD22 LEU 10 38.418 2.779 1.534 110 HD23 LEU 10 HD23 LEU 10 38.769 4.453 1.047 111 H LYS 11 HN LYS 11 42.348 5.867 1.610 112 HA LYS 11 HA LYS 11 44.191 3.737 1.039 113 HB2 LYS 11 HB2 LYS 11 42.585 5.372 -0.676 114 HB3 LYS 11 HB1 LYS 11 43.548 3.962 -1.237 115 HG2 LYS 11 HG2 LYS 11 42.002 2.632 0.468 116 HG3 LYS 11 HG1 LYS 11 40.912 4.019 0.223 117 HD2 LYS 11 HD2 LYS 11 40.965 3.649 -2.217 118 HD3 LYS 11 HD1 LYS 11 42.065 2.268 -1.986 119 HE2 LYS 11 HE2 LYS 11 40.302 1.208 -0.513 120 HE3 LYS 11 HE1 LYS 11 39.200 2.526 -0.979 121 HZ1 LYS 11 HZ1 LYS 11 40.278 0.326 -2.605 122 HZ2 LYS 11 HZ2 LYS 11 39.940 1.805 -3.369 123 HZ3 LYS 11 HZ3 LYS 11 38.708 0.965 -2.556 124 H ASN 12 HN ASN 12 43.466 6.264 1.810 125 HA ASN 12 HA ASN 12 44.697 8.458 1.926 126 HB2 ASN 12 HB2 ASN 12 47.171 8.485 0.916 127 HB3 ASN 12 HB1 ASN 12 46.838 8.069 2.564 128 HD21 ASN 12 HD21 ASN 12 49.071 7.306 0.548 129 HD22 ASN 12 HD22 ASN 12 49.163 5.548 0.683 130 H GLU 13 HN GLU 13 43.155 7.032 0.057 131 HA GLU 13 HA GLU 13 42.260 7.228 -2.063 132 HB2 GLU 13 HB2 GLU 13 44.252 9.514 -2.460 133 HB3 GLU 13 HB1 GLU 13 42.945 9.068 -3.569 134 HG2 GLU 13 HG2 GLU 13 41.247 9.670 -1.989 135 HG3 GLU 13 HG1 GLU 13 42.429 9.810 -0.670 136 H ILE 14 HN ILE 14 44.337 5.370 -1.149 137 HA ILE 14 HA ILE 14 45.799 3.913 -2.218 138 HB ILE 14 HB ILE 14 45.740 5.510 -4.828 139 HG12 ILE 14 HG12 ILE 14 43.862 3.299 -3.859 140 HG13 ILE 14 HG11 ILE 14 43.401 4.954 -4.302 141 HG21 ILE 14 HG21 ILE 14 47.509 3.721 -4.332 142 HG22 ILE 14 HG22 ILE 14 46.546 3.485 -5.807 143 HG23 ILE 14 HG23 ILE 14 46.176 2.542 -4.343 144 HD11 ILE 14 HD1 ILE 14 44.435 4.407 -6.632 145 HD12 ILE 14 HD2 ILE 14 42.858 3.689 -6.227 146 HD13 ILE 14 HD3 ILE 14 44.336 2.708 -6.111 147 H LYS 15 HN LYS 15 46.006 7.363 -2.356 148 HA LYS 15 HA LYS 15 48.239 7.822 -0.986 149 HB2 LYS 15 HB2 LYS 15 49.049 6.876 -3.670 150 HB3 LYS 15 HB1 LYS 15 49.614 8.533 -3.289 151 HG2 LYS 15 HG2 LYS 15 50.579 7.648 -1.141 152 HG3 LYS 15 HG1 LYS 15 50.122 6.002 -1.627 153 HD2 LYS 15 HD2 LYS 15 51.870 7.809 -3.351 154 HD3 LYS 15 HD1 LYS 15 52.542 6.705 -2.133 155 HE2 LYS 15 HE2 LYS 15 51.204 4.837 -3.325 156 HE3 LYS 15 HE1 LYS 15 50.989 6.006 -4.650 157 HZ1 LYS 15 HZ1 LYS 15 52.945 4.577 -4.944 158 HZ2 LYS 15 HZ2 LYS 15 53.613 5.191 -3.508 159 HZ3 LYS 15 HZ3 LYS 15 53.363 6.217 -4.839 160 H LYS 16 HN LYS 16 48.629 9.867 -0.836 161 HA LYS 16 HA LYS 16 47.490 11.877 -1.139 162 HB2 LYS 16 HB2 LYS 16 49.645 11.889 -2.919 163 HB3 LYS 16 HB1 LYS 16 49.000 13.342 -2.176 164 HG2 LYS 16 HG2 LYS 16 50.014 11.017 -0.497 165 HG3 LYS 16 HG1 LYS 16 51.120 12.267 -1.094 166 HD2 LYS 16 HD2 LYS 16 49.607 14.006 -0.020 167 HD3 LYS 16 HD1 LYS 16 48.707 12.663 0.724 168 HE2 LYS 16 HE2 LYS 16 50.383 13.478 2.307 169 HE3 LYS 16 HE1 LYS 16 50.852 11.855 1.747 170 HZ1 LYS 16 HZ1 LYS 16 52.688 12.661 0.812 171 HZ2 LYS 16 HZ2 LYS 16 52.399 14.106 1.658 172 HZ3 LYS 16 HZ3 LYS 16 51.863 13.935 0.055 173 H LYS 17 HN LYS 17 48.374 11.652 -3.740 174 HA LYS 17 HA LYS 17 45.677 11.737 -5.086 175 HB2 LYS 17 HB2 LYS 17 47.859 13.814 -5.606 176 HB3 LYS 17 HB1 LYS 17 46.535 13.454 -6.730 177 HG2 LYS 17 HG2 LYS 17 45.499 15.201 -5.608 178 HG3 LYS 17 HG1 LYS 17 45.055 13.909 -4.475 179 HD2 LYS 17 HD2 LYS 17 47.212 14.457 -3.208 180 HD3 LYS 17 HD1 LYS 17 47.353 15.896 -4.237 181 HE2 LYS 17 HE2 LYS 17 46.221 16.622 -2.255 182 HE3 LYS 17 HE1 LYS 17 44.962 16.482 -3.504 183 HZ1 LYS 17 HZ1 LYS 17 44.180 14.508 -2.596 184 HZ2 LYS 17 HZ2 LYS 17 44.531 15.440 -1.221 185 HZ3 LYS 17 HZ3 LYS 17 45.597 14.213 -1.713 186 H GLY 18 HN GLY 18 48.236 10.486 -4.073 187 HA2 GLY 18 HA1 GLY 18 48.871 8.340 -5.430 188 HA3 GLY 18 HA2 GLY 18 49.068 9.382 -6.848 189 H ARG 19 HN ARG 19 49.887 10.277 -3.587 190 HA ARG 19 HA ARG 19 52.265 10.138 -2.695 191 HB2 ARG 19 HB2 ARG 19 53.192 9.339 -4.994 192 HB3 ARG 19 HB1 ARG 19 53.011 11.090 -5.577 193 HG2 ARG 19 HG2 ARG 19 54.681 11.786 -3.993 194 HG3 ARG 19 HG1 ARG 19 54.553 10.334 -2.987 195 HD2 ARG 19 HD2 ARG 19 55.963 9.096 -4.344 196 HD3 ARG 19 HD1 ARG 19 55.416 9.890 -5.838 197 HE ARG 19 HE ARG 19 56.840 11.811 -4.280 198 HH11 ARG 19 HH11 ARG 19 59.166 11.111 -3.800 199 HH12 ARG 19 HH12 ARG 19 59.991 10.468 -5.181 200 HH21 ARG 19 HH21 ARG 19 57.092 10.014 -7.030 201 HH22 ARG 19 HH22 ARG 19 58.817 9.848 -7.011 202 H LYS 20 HN LYS 20 50.823 11.880 -5.137 203 HA LYS 20 HA LYS 20 50.757 13.866 -5.894 204 HB2 LYS 20 HB2 LYS 20 50.498 15.735 -4.826 205 HB3 LYS 20 HB1 LYS 20 49.463 14.521 -4.105 206 HG2 LYS 20 HG2 LYS 20 51.156 14.335 -2.188 207 HG3 LYS 20 HG1 LYS 20 51.974 15.749 -2.876 208 HD2 LYS 20 HD2 LYS 20 49.771 16.996 -2.723 209 HD3 LYS 20 HD1 LYS 20 49.144 15.629 -1.777 210 HE2 LYS 20 HE2 LYS 20 51.000 15.925 -0.143 211 HE3 LYS 20 HE1 LYS 20 51.579 17.326 -1.077 212 HZ1 LYS 20 HZ1 LYS 20 48.772 17.448 -0.445 213 HZ2 LYS 20 HZ2 LYS 20 49.987 18.618 -0.234 214 HZ3 LYS 20 HZ3 LYS 20 49.756 17.408 0.936 215 H ALA 21 HN ALA 21 52.058 13.396 -6.678 216 HA ALA 21 HA ALA 21 54.208 14.870 -7.252 217 HB1 ALA 21 HB1 ALA 21 55.336 13.638 -5.251 218 HB2 ALA 21 HB2 ALA 21 56.161 13.517 -6.822 219 HB3 ALA 21 HB3 ALA 21 55.151 12.176 -6.246 220 H VAL 22 HN VAL 22 51.782 13.116 -6.960 221 HA VAL 22 HA VAL 22 52.098 12.274 -9.865 222 HB VAL 22 HB VAL 22 50.465 10.941 -7.684 223 HG11 VAL 22 HG11 VAL 22 50.046 10.942 -10.685 224 HG12 VAL 22 HG12 VAL 22 48.836 11.101 -9.388 225 HG13 VAL 22 HG13 VAL 22 49.580 9.521 -9.719 226 HG21 VAL 22 HG21 VAL 22 52.368 9.830 -9.790 227 HG22 VAL 22 HG22 VAL 22 51.559 8.878 -8.526 228 HG23 VAL 22 HG23 VAL 22 52.779 10.097 -8.080 229 H ILE 23 HN ILE 23 51.575 14.543 -7.863 230 HA ILE 23 HA ILE 23 49.860 15.712 -9.791 231 HB ILE 23 HB ILE 23 48.249 14.621 -7.723 232 HG12 ILE 23 HG12 ILE 23 47.704 16.738 -9.841 233 HG13 ILE 23 HG11 ILE 23 47.434 14.987 -9.971 234 HG21 ILE 23 HG21 ILE 23 47.282 16.480 -6.527 235 HG22 ILE 23 HG22 ILE 23 48.177 17.658 -7.514 236 HG23 ILE 23 HG23 ILE 23 49.036 16.640 -6.344 237 HD11 ILE 23 HD1 ILE 23 45.272 15.869 -9.559 238 HD12 ILE 23 HD2 ILE 23 45.876 17.031 -8.355 239 HD13 ILE 23 HD3 ILE 23 45.803 15.299 -7.962 240 H ALA 24 HN ALA 24 51.586 15.531 -6.982 241 HA ALA 24 HA ALA 24 52.203 18.377 -7.275 242 HB1 ALA 24 HB1 ALA 24 54.069 16.578 -5.777 243 HB2 ALA 24 HB2 ALA 24 52.501 16.919 -5.020 244 HB3 ALA 24 HB3 ALA 24 53.602 18.248 -5.418 245 H TRP 25 HN TRP 25 52.272 15.332 -8.592 246 HA TRP 25 HA TRP 25 53.447 14.580 -10.507 247 HB2 TRP 25 HB2 TRP 25 52.786 16.898 -11.319 248 HB3 TRP 25 HB1 TRP 25 54.437 17.422 -10.919 249 HD1 TRP 25 HD1 TRP 25 52.456 15.356 -13.406 250 HE1 TRP 25 HE1 TRP 25 53.988 14.610 -15.370 251 HE3 TRP 25 HE3 TRP 25 56.976 16.822 -11.503 252 HZ2 TRP 25 HZ2 TRP 25 56.797 14.658 -15.998 253 HZ3 TRP 25 HZ3 TRP 25 59.070 16.461 -12.802 254 HH2 TRP 25 HH2 TRP 25 58.984 15.382 -15.046 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 53.891 3.209 3.341 2 H2 ALA 1 HT2 ALA 1 52.284 3.030 3.861 3 H3 ALA 1 HT3 ALA 1 53.400 1.770 4.090 4 HA ALA 1 HA ALA 1 54.602 2.954 5.677 5 HB1 ALA 1 HB1 ALA 1 54.489 5.250 5.975 6 HB2 ALA 1 HB2 ALA 1 52.759 5.334 5.540 7 HB3 ALA 1 HB3 ALA 1 54.002 5.168 4.265 8 H TRP 2 HN TRP 2 52.771 4.824 7.225 9 HA TRP 2 HA TRP 2 51.624 2.992 8.907 10 HB2 TRP 2 HB2 TRP 2 50.729 5.738 8.588 11 HB3 TRP 2 HB1 TRP 2 50.522 4.739 10.028 12 HD1 TRP 2 HD1 TRP 2 53.820 3.763 9.171 13 HE1 TRP 2 HE1 TRP 2 55.673 5.166 10.313 14 HE3 TRP 2 HE3 TRP 2 51.021 7.814 10.621 15 HZ2 TRP 2 HZ2 TRP 2 55.896 7.686 11.666 16 HZ3 TRP 2 HZ3 TRP 2 52.085 9.702 11.840 17 HH2 TRP 2 HH2 TRP 2 54.518 9.642 12.363 18 H LYS 3 HN LYS 3 50.652 3.879 5.894 19 HA LYS 3 HA LYS 3 48.607 3.891 4.842 20 HB2 LYS 3 HB2 LYS 3 46.937 2.201 6.454 21 HB3 LYS 3 HB1 LYS 3 47.603 1.920 4.822 22 HG2 LYS 3 HG2 LYS 3 49.796 1.222 6.052 23 HG3 LYS 3 HG1 LYS 3 48.792 1.128 7.521 24 HD2 LYS 3 HD2 LYS 3 47.270 -0.456 6.379 25 HD3 LYS 3 HD1 LYS 3 48.283 -0.373 4.918 26 HE2 LYS 3 HE2 LYS 3 48.869 -2.366 6.245 27 HE3 LYS 3 HE1 LYS 3 50.225 -1.212 6.235 28 HZ1 LYS 3 HZ1 LYS 3 48.407 -0.687 8.372 29 HZ2 LYS 3 HZ2 LYS 3 50.080 -0.977 8.425 30 HZ3 LYS 3 HZ3 LYS 3 48.989 -2.279 8.448 31 H GLU 4 HN GLU 4 49.637 5.264 7.100 32 HA GLU 4 HA GLU 4 47.433 7.008 7.597 33 HB2 GLU 4 HB2 GLU 4 48.056 5.230 9.659 34 HB3 GLU 4 HB1 GLU 4 49.095 6.615 10.044 35 HG2 GLU 4 HG2 GLU 4 47.045 8.101 9.837 36 HG3 GLU 4 HG1 GLU 4 46.069 6.617 9.716 37 H LYS 5 HN LYS 5 50.912 5.945 7.529 38 HA LYS 5 HA LYS 5 51.490 8.961 7.260 39 HB2 LYS 5 HB2 LYS 5 53.141 6.513 7.466 40 HB3 LYS 5 HB1 LYS 5 53.581 7.438 6.019 41 HG2 LYS 5 HG2 LYS 5 53.306 8.775 8.738 42 HG3 LYS 5 HG1 LYS 5 54.817 7.984 8.242 43 HD2 LYS 5 HD2 LYS 5 54.876 9.413 6.197 44 HD3 LYS 5 HD1 LYS 5 53.401 10.240 6.750 45 HE2 LYS 5 HE2 LYS 5 54.518 11.106 8.703 46 HE3 LYS 5 HE1 LYS 5 55.943 10.080 8.416 47 HZ1 LYS 5 HZ1 LYS 5 56.293 11.281 6.319 48 HZ2 LYS 5 HZ2 LYS 5 56.365 12.316 7.664 49 HZ3 LYS 5 HZ3 LYS 5 54.983 12.298 6.676 50 H ILE 6 HN ILE 6 49.690 6.527 6.162 51 HA ILE 6 HA ILE 6 49.371 7.807 3.423 52 HB ILE 6 HB ILE 6 49.790 4.769 3.499 53 HG12 ILE 6 HG12 ILE 6 51.919 6.174 3.778 54 HG13 ILE 6 HG11 ILE 6 51.904 5.008 2.470 55 HG21 ILE 6 HG21 ILE 6 49.852 5.080 0.989 56 HG22 ILE 6 HG22 ILE 6 49.253 6.720 1.274 57 HG23 ILE 6 HG23 ILE 6 48.264 5.334 1.725 58 HD11 ILE 6 HD1 ILE 6 51.224 7.955 2.100 59 HD12 ILE 6 HD2 ILE 6 51.554 6.747 0.838 60 HD13 ILE 6 HD3 ILE 6 52.859 7.295 1.908 61 H ARG 7 HN ARG 7 47.555 4.945 3.175 62 HA ARG 7 HA ARG 7 45.182 5.739 2.983 63 HB2 ARG 7 HB2 ARG 7 45.010 3.541 3.351 64 HB3 ARG 7 HB1 ARG 7 46.122 3.575 4.689 65 HG2 ARG 7 HG2 ARG 7 44.427 4.037 6.288 66 HG3 ARG 7 HG1 ARG 7 43.294 4.603 5.054 67 HD2 ARG 7 HD2 ARG 7 44.186 1.758 5.676 68 HD3 ARG 7 HD1 ARG 7 42.546 2.429 5.761 69 HE ARG 7 HE ARG 7 43.552 2.572 3.058 70 HH11 ARG 7 HH11 ARG 7 43.538 0.581 1.814 71 HH12 ARG 7 HH12 ARG 7 42.390 -0.628 2.288 72 HH21 ARG 7 HH21 ARG 7 41.556 0.951 5.261 73 HH22 ARG 7 HH22 ARG 7 41.269 -0.418 4.239 74 H LYS 8 HN LYS 8 45.353 7.900 3.425 75 HA LYS 8 HA LYS 8 43.980 8.451 5.944 76 HB2 LYS 8 HB2 LYS 8 46.308 9.321 6.218 77 HB3 LYS 8 HB1 LYS 8 46.079 10.268 4.735 78 HG2 LYS 8 HG2 LYS 8 45.736 11.696 6.694 79 HG3 LYS 8 HG1 LYS 8 44.207 11.506 5.812 80 HD2 LYS 8 HD2 LYS 8 43.287 10.064 7.451 81 HD3 LYS 8 HD1 LYS 8 44.884 9.639 8.115 82 HE2 LYS 8 HE2 LYS 8 43.654 12.426 8.273 83 HE3 LYS 8 HE1 LYS 8 43.537 11.212 9.569 84 HZ1 LYS 8 HZ1 LYS 8 45.917 11.167 9.741 85 HZ2 LYS 8 HZ2 LYS 8 45.401 12.782 9.856 86 HZ3 LYS 8 HZ3 LYS 8 46.094 12.209 8.415 87 H LYS 9 HN LYS 9 44.537 8.887 2.648 88 HA LYS 9 HA LYS 9 42.117 10.736 2.574 89 HB2 LYS 9 HB2 LYS 9 43.825 10.791 0.594 90 HB3 LYS 9 HB1 LYS 9 43.105 9.213 0.125 91 HG2 LYS 9 HG2 LYS 9 41.790 10.712 -1.107 92 HG3 LYS 9 HG1 LYS 9 40.811 10.555 0.362 93 HD2 LYS 9 HD2 LYS 9 41.782 12.644 1.258 94 HD3 LYS 9 HD1 LYS 9 42.826 12.784 -0.176 95 HE2 LYS 9 HE2 LYS 9 40.873 14.212 -0.486 96 HE3 LYS 9 HE1 LYS 9 40.760 12.835 -1.609 97 HZ1 LYS 9 HZ1 LYS 9 38.922 12.114 -0.609 98 HZ2 LYS 9 HZ2 LYS 9 38.857 13.610 0.194 99 HZ3 LYS 9 HZ3 LYS 9 39.585 12.271 0.945 100 H LEU 10 HN LEU 10 43.269 7.527 2.855 101 HA LEU 10 HA LEU 10 41.085 6.078 3.688 102 HB2 LEU 10 HB2 LEU 10 39.752 6.973 1.764 103 HB3 LEU 10 HB1 LEU 10 41.102 6.465 0.672 104 HG LEU 10 HG LEU 10 40.530 4.057 1.339 105 HD11 LEU 10 HD11 LEU 10 38.495 5.470 3.090 106 HD12 LEU 10 HD12 LEU 10 39.680 4.220 3.544 107 HD13 LEU 10 HD13 LEU 10 38.263 3.787 2.564 108 HD21 LEU 10 HD21 LEU 10 39.327 5.359 -0.579 109 HD22 LEU 10 HD22 LEU 10 37.945 5.442 0.535 110 HD23 LEU 10 HD23 LEU 10 38.567 3.862 0.004 111 H LYS 11 HN LYS 11 42.852 6.612 0.920 112 HA LYS 11 HA LYS 11 44.572 4.360 0.999 113 HB2 LYS 11 HB2 LYS 11 43.426 5.668 -1.280 114 HB3 LYS 11 HB1 LYS 11 44.389 4.160 -1.363 115 HG2 LYS 11 HG2 LYS 11 42.411 3.265 0.233 116 HG3 LYS 11 HG1 LYS 11 41.514 4.543 -0.619 117 HD2 LYS 11 HD2 LYS 11 42.292 3.546 -2.801 118 HD3 LYS 11 HD1 LYS 11 42.979 2.191 -1.873 119 HE2 LYS 11 HE2 LYS 11 40.066 3.005 -2.146 120 HE3 LYS 11 HE1 LYS 11 40.817 1.435 -2.518 121 HZ1 LYS 11 HZ1 LYS 11 41.444 1.600 0.026 122 HZ2 LYS 11 HZ2 LYS 11 39.950 0.975 -0.485 123 HZ3 LYS 11 HZ3 LYS 11 40.058 2.577 0.072 124 H ASN 12 HN ASN 12 43.787 6.988 1.143 125 HA ASN 12 HA ASN 12 45.075 9.168 1.138 126 HB2 ASN 12 HB2 ASN 12 47.013 7.332 1.967 127 HB3 ASN 12 HB1 ASN 12 47.723 8.161 0.590 128 HD21 ASN 12 HD21 ASN 12 46.703 10.756 0.802 129 HD22 ASN 12 HD22 ASN 12 47.258 11.476 2.317 130 H GLU 13 HN GLU 13 43.922 7.483 -0.776 131 HA GLU 13 HA GLU 13 43.568 7.471 -3.078 132 HB2 GLU 13 HB2 GLU 13 44.543 9.914 -2.937 133 HB3 GLU 13 HB1 GLU 13 46.062 9.154 -3.493 134 HG2 GLU 13 HG2 GLU 13 44.901 9.907 -5.474 135 HG3 GLU 13 HG1 GLU 13 44.698 8.141 -5.411 136 H ILE 14 HN ILE 14 45.235 5.632 -1.324 137 HA ILE 14 HA ILE 14 46.572 3.822 -1.842 138 HB ILE 14 HB ILE 14 45.829 4.492 -4.500 139 HG12 ILE 14 HG12 ILE 14 47.581 2.190 -3.537 140 HG13 ILE 14 HG11 ILE 14 45.806 2.249 -3.448 141 HG21 ILE 14 HG21 ILE 14 47.779 4.366 -5.892 142 HG22 ILE 14 HG22 ILE 14 48.838 4.006 -4.509 143 HG23 ILE 14 HG23 ILE 14 48.143 5.629 -4.700 144 HD11 ILE 14 HD1 ILE 14 47.582 2.023 -5.896 145 HD12 ILE 14 HD2 ILE 14 45.938 2.691 -6.044 146 HD13 ILE 14 HD3 ILE 14 46.177 1.035 -5.437 147 H LYS 15 HN LYS 15 47.498 7.197 -2.201 148 HA LYS 15 HA LYS 15 50.027 6.418 -0.922 149 HB2 LYS 15 HB2 LYS 15 49.974 6.814 -3.759 150 HB3 LYS 15 HB1 LYS 15 50.937 8.104 -3.009 151 HG2 LYS 15 HG2 LYS 15 52.314 6.400 -1.843 152 HG3 LYS 15 HG1 LYS 15 51.345 5.107 -2.587 153 HD2 LYS 15 HD2 LYS 15 52.017 5.914 -4.842 154 HD3 LYS 15 HD1 LYS 15 53.016 7.176 -4.081 155 HE2 LYS 15 HE2 LYS 15 54.302 5.377 -2.892 156 HE3 LYS 15 HE1 LYS 15 53.365 4.161 -3.791 157 HZ1 LYS 15 HZ1 LYS 15 55.135 4.396 -5.176 158 HZ2 LYS 15 HZ2 LYS 15 55.426 6.014 -4.746 159 HZ3 LYS 15 HZ3 LYS 15 54.158 5.630 -5.811 160 H LYS 16 HN LYS 16 48.533 9.219 -2.480 161 HA LYS 16 HA LYS 16 48.753 10.615 -0.166 162 HB2 LYS 16 HB2 LYS 16 50.477 11.542 -2.255 163 HB3 LYS 16 HB1 LYS 16 50.085 12.519 -0.821 164 HG2 LYS 16 HG2 LYS 16 51.060 10.616 0.583 165 HG3 LYS 16 HG1 LYS 16 51.723 9.965 -0.939 166 HD2 LYS 16 HD2 LYS 16 52.851 12.167 -1.331 167 HD3 LYS 16 HD1 LYS 16 52.263 12.715 0.256 168 HE2 LYS 16 HE2 LYS 16 53.464 10.853 1.356 169 HE3 LYS 16 HE1 LYS 16 54.047 10.289 -0.229 170 HZ1 LYS 16 HZ1 LYS 16 55.007 12.600 -0.481 171 HZ2 LYS 16 HZ2 LYS 16 55.765 11.595 0.659 172 HZ3 LYS 16 HZ3 LYS 16 54.707 12.820 1.173 173 H LYS 17 HN LYS 17 48.928 10.892 -2.902 174 HA LYS 17 HA LYS 17 46.061 11.582 -3.438 175 HB2 LYS 17 HB2 LYS 17 48.253 13.458 -4.382 176 HB3 LYS 17 HB1 LYS 17 46.604 13.436 -5.028 177 HG2 LYS 17 HG2 LYS 17 47.298 13.944 -2.092 178 HG3 LYS 17 HG1 LYS 17 46.911 15.206 -3.273 179 HD2 LYS 17 HD2 LYS 17 44.706 13.734 -3.654 180 HD3 LYS 17 HD1 LYS 17 45.089 13.141 -2.020 181 HE2 LYS 17 HE2 LYS 17 44.637 16.037 -2.854 182 HE3 LYS 17 HE1 LYS 17 43.591 15.042 -1.813 183 HZ1 LYS 17 HZ1 LYS 17 46.298 16.102 -1.235 184 HZ2 LYS 17 HZ2 LYS 17 45.643 14.805 -0.352 185 HZ3 LYS 17 HZ3 LYS 17 44.866 16.316 -0.349 186 H GLY 18 HN GLY 18 48.579 9.916 -3.407 187 HA2 GLY 18 HA1 GLY 18 48.378 7.964 -5.140 188 HA3 GLY 18 HA2 GLY 18 48.564 9.241 -6.377 189 H ARG 19 HN ARG 19 50.095 10.673 -4.247 190 HA ARG 19 HA ARG 19 52.579 9.576 -3.553 191 HB2 ARG 19 HB2 ARG 19 52.636 9.201 -6.209 192 HB3 ARG 19 HB1 ARG 19 52.787 10.994 -6.279 193 HG2 ARG 19 HG2 ARG 19 54.886 10.890 -5.084 194 HG3 ARG 19 HG1 ARG 19 54.620 9.232 -4.531 195 HD2 ARG 19 HD2 ARG 19 54.651 9.543 -7.506 196 HD3 ARG 19 HD1 ARG 19 56.200 9.850 -6.686 197 HE ARG 19 HE ARG 19 55.066 7.446 -5.631 198 HH11 ARG 19 HH11 ARG 19 56.730 5.837 -6.028 199 HH12 ARG 19 HH12 ARG 19 57.230 5.617 -7.672 200 HH21 ARG 19 HH21 ARG 19 55.577 8.438 -8.830 201 HH22 ARG 19 HH22 ARG 19 56.578 7.091 -9.259 202 H LYS 20 HN LYS 20 50.554 11.875 -4.927 203 HA LYS 20 HA LYS 20 50.523 14.088 -5.232 204 HB2 LYS 20 HB2 LYS 20 52.097 14.430 -2.751 205 HB3 LYS 20 HB1 LYS 20 51.411 15.610 -3.889 206 HG2 LYS 20 HG2 LYS 20 49.217 15.247 -3.209 207 HG3 LYS 20 HG1 LYS 20 49.565 13.632 -2.606 208 HD2 LYS 20 HD2 LYS 20 49.177 15.047 -0.682 209 HD3 LYS 20 HD1 LYS 20 50.921 14.705 -0.738 210 HE2 LYS 20 HE2 LYS 20 49.686 17.195 -1.988 211 HE3 LYS 20 HE1 LYS 20 50.295 17.144 -0.317 212 HZ1 LYS 20 HZ1 LYS 20 52.278 16.011 -1.851 213 HZ2 LYS 20 HZ2 LYS 20 52.285 17.565 -1.166 214 HZ3 LYS 20 HZ3 LYS 20 51.750 17.339 -2.763 215 H ALA 21 HN ALA 21 51.569 13.250 -6.476 216 HA ALA 21 HA ALA 21 53.628 14.653 -7.564 217 HB1 ALA 21 HB1 ALA 21 54.709 11.866 -7.218 218 HB2 ALA 21 HB2 ALA 21 55.024 13.038 -5.917 219 HB3 ALA 21 HB3 ALA 21 55.600 13.360 -7.565 220 H VAL 22 HN VAL 22 51.358 13.315 -6.613 221 HA VAL 22 HA VAL 22 50.522 12.522 -9.450 222 HB VAL 22 HB VAL 22 49.566 11.221 -6.860 223 HG11 VAL 22 HG11 VAL 22 47.566 11.710 -8.140 224 HG12 VAL 22 HG12 VAL 22 47.955 10.017 -8.498 225 HG13 VAL 22 HG13 VAL 22 48.364 11.289 -9.668 226 HG21 VAL 22 HG21 VAL 22 50.484 9.919 -9.467 227 HG22 VAL 22 HG22 VAL 22 50.321 9.156 -7.872 228 HG23 VAL 22 HG23 VAL 22 51.624 10.320 -8.168 229 H ILE 23 HN ILE 23 50.944 14.646 -7.119 230 HA ILE 23 HA ILE 23 48.798 16.129 -8.318 231 HB ILE 23 HB ILE 23 47.982 15.177 -5.791 232 HG12 ILE 23 HG12 ILE 23 46.993 17.709 -7.163 233 HG13 ILE 23 HG11 ILE 23 46.549 16.064 -7.666 234 HG21 ILE 23 HG21 ILE 23 48.611 18.135 -5.489 235 HG22 ILE 23 HG22 ILE 23 49.666 16.867 -4.833 236 HG23 ILE 23 HG23 ILE 23 48.001 17.024 -4.247 237 HD11 ILE 23 HD1 ILE 23 44.763 16.774 -6.271 238 HD12 ILE 23 HD2 ILE 23 45.865 17.485 -5.070 239 HD13 ILE 23 HD3 ILE 23 45.747 15.717 -5.237 240 H ALA 24 HN ALA 24 51.408 15.664 -6.348 241 HA ALA 24 HA ALA 24 52.248 18.405 -6.936 242 HB1 ALA 24 HB1 ALA 24 54.205 18.030 -5.722 243 HB2 ALA 24 HB2 ALA 24 54.247 16.312 -6.149 244 HB3 ALA 24 HB3 ALA 24 53.125 16.889 -4.897 245 H TRP 25 HN TRP 25 51.421 15.422 -8.128 246 HA TRP 25 HA TRP 25 51.770 14.534 -10.300 247 HB2 TRP 25 HB2 TRP 25 50.997 16.835 -10.915 248 HB3 TRP 25 HB1 TRP 25 52.702 17.324 -11.060 249 HD1 TRP 25 HD1 TRP 25 54.130 16.245 -13.037 250 HE1 TRP 25 HE1 TRP 25 53.456 15.151 -15.297 251 HE3 TRP 25 HE3 TRP 25 49.175 15.390 -12.074 252 HZ2 TRP 25 HZ2 TRP 25 51.075 14.061 -16.495 253 HZ3 TRP 25 HZ3 TRP 25 47.720 14.323 -13.791 254 HH2 TRP 25 HH2 TRP 25 48.666 13.659 -15.999 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 45.181 6.639 9.253 2 H2 ALA 1 HT2 ALA 1 45.740 5.726 10.572 3 H3 ALA 1 HT3 ALA 1 45.899 5.127 8.990 4 HA ALA 1 HA ALA 1 47.874 6.228 10.251 5 HB1 ALA 1 HB1 ALA 1 47.075 6.383 7.335 6 HB2 ALA 1 HB2 ALA 1 48.246 5.294 8.114 7 HB3 ALA 1 HB3 ALA 1 48.646 7.017 7.885 8 H TRP 2 HN TRP 2 47.815 8.416 7.778 9 HA TRP 2 HA TRP 2 46.642 10.621 9.193 10 HB2 TRP 2 HB2 TRP 2 49.131 10.248 9.928 11 HB3 TRP 2 HB1 TRP 2 49.432 11.003 8.357 12 HD1 TRP 2 HD1 TRP 2 46.614 12.905 8.929 13 HE1 TRP 2 HE1 TRP 2 46.967 15.043 10.346 14 HE3 TRP 2 HE3 TRP 2 51.082 11.695 11.135 15 HZ2 TRP 2 HZ2 TRP 2 48.926 16.073 12.180 16 HZ3 TRP 2 HZ3 TRP 2 52.171 13.279 12.716 17 HH2 TRP 2 HH2 TRP 2 51.098 15.465 13.240 18 H LYS 3 HN LYS 3 47.195 8.891 6.562 19 HA LYS 3 HA LYS 3 47.379 9.292 4.322 20 HB2 LYS 3 HB2 LYS 3 46.153 10.997 3.239 21 HB3 LYS 3 HB1 LYS 3 45.179 10.380 4.567 22 HG2 LYS 3 HG2 LYS 3 45.486 12.344 5.885 23 HG3 LYS 3 HG1 LYS 3 46.855 12.901 4.889 24 HD2 LYS 3 HD2 LYS 3 45.376 13.333 3.008 25 HD3 LYS 3 HD1 LYS 3 43.998 12.613 3.876 26 HE2 LYS 3 HE2 LYS 3 43.991 15.117 3.970 27 HE3 LYS 3 HE1 LYS 3 44.104 14.371 5.582 28 HZ1 LYS 3 HZ1 LYS 3 46.404 15.385 3.983 29 HZ2 LYS 3 HZ2 LYS 3 46.490 14.706 5.539 30 HZ3 LYS 3 HZ3 LYS 3 45.692 16.187 5.297 31 H GLU 4 HN GLU 4 48.965 10.218 6.602 32 HA GLU 4 HA GLU 4 51.126 11.408 5.173 33 HB2 GLU 4 HB2 GLU 4 49.589 13.067 6.929 34 HB3 GLU 4 HB1 GLU 4 51.060 12.649 7.830 35 HG2 GLU 4 HG2 GLU 4 52.447 13.460 5.937 36 HG3 GLU 4 HG1 GLU 4 50.970 13.878 5.035 37 H LYS 5 HN LYS 5 49.555 9.636 7.921 38 HA LYS 5 HA LYS 5 52.366 8.453 8.335 39 HB2 LYS 5 HB2 LYS 5 49.651 8.065 9.649 40 HB3 LYS 5 HB1 LYS 5 50.729 6.671 9.541 41 HG2 LYS 5 HG2 LYS 5 52.515 8.009 10.660 42 HG3 LYS 5 HG1 LYS 5 51.369 9.361 10.825 43 HD2 LYS 5 HD2 LYS 5 49.851 7.917 12.149 44 HD3 LYS 5 HD1 LYS 5 50.998 6.565 11.988 45 HE2 LYS 5 HE2 LYS 5 51.364 7.631 14.148 46 HE3 LYS 5 HE1 LYS 5 52.750 7.999 13.094 47 HZ1 LYS 5 HZ1 LYS 5 50.953 9.994 12.580 48 HZ2 LYS 5 HZ2 LYS 5 52.333 10.119 13.563 49 HZ3 LYS 5 HZ3 LYS 5 50.821 9.772 14.257 50 H ILE 6 HN ILE 6 50.003 9.208 6.306 51 HA ILE 6 HA ILE 6 49.369 8.371 4.200 52 HB ILE 6 HB ILE 6 51.293 6.035 4.587 53 HG12 ILE 6 HG12 ILE 6 51.841 8.893 3.659 54 HG13 ILE 6 HG11 ILE 6 52.531 8.087 5.083 55 HG21 ILE 6 HG21 ILE 6 50.636 7.506 2.015 56 HG22 ILE 6 HG22 ILE 6 49.596 6.189 2.596 57 HG23 ILE 6 HG23 ILE 6 51.305 5.876 2.224 58 HD11 ILE 6 HD1 ILE 6 53.055 7.480 2.153 59 HD12 ILE 6 HD2 ILE 6 53.481 6.337 3.451 60 HD13 ILE 6 HD3 ILE 6 54.225 7.953 3.407 61 H ARG 7 HN ARG 7 47.498 7.583 3.724 62 HA ARG 7 HA ARG 7 45.982 5.788 3.345 63 HB2 ARG 7 HB2 ARG 7 47.849 4.170 4.149 64 HB3 ARG 7 HB1 ARG 7 46.987 4.219 5.699 65 HG2 ARG 7 HG2 ARG 7 44.861 3.672 4.299 66 HG3 ARG 7 HG1 ARG 7 46.002 3.225 3.008 67 HD2 ARG 7 HD2 ARG 7 45.386 1.240 4.342 68 HD3 ARG 7 HD1 ARG 7 47.112 1.622 4.545 69 HE ARG 7 HE ARG 7 46.660 2.010 6.825 70 HH11 ARG 7 HH11 ARG 7 45.325 3.514 8.151 71 HH12 ARG 7 HH12 ARG 7 43.617 3.229 8.096 72 HH21 ARG 7 HH21 ARG 7 43.792 1.110 5.357 73 HH22 ARG 7 HH22 ARG 7 42.750 1.867 6.514 74 H LYS 8 HN LYS 8 45.499 8.092 4.637 75 HA LYS 8 HA LYS 8 43.448 7.090 6.538 76 HB2 LYS 8 HB2 LYS 8 45.272 8.351 7.784 77 HB3 LYS 8 HB1 LYS 8 44.848 9.779 6.825 78 HG2 LYS 8 HG2 LYS 8 42.552 8.412 8.223 79 HG3 LYS 8 HG1 LYS 8 43.726 9.222 9.277 80 HD2 LYS 8 HD2 LYS 8 42.632 10.692 6.852 81 HD3 LYS 8 HD1 LYS 8 41.656 10.581 8.334 82 HE2 LYS 8 HE2 LYS 8 43.525 11.565 9.638 83 HE3 LYS 8 HE1 LYS 8 44.498 11.688 8.154 84 HZ1 LYS 8 HZ1 LYS 8 41.918 12.829 7.786 85 HZ2 LYS 8 HZ2 LYS 8 43.448 13.543 7.595 86 HZ3 LYS 8 HZ3 LYS 8 42.693 13.538 9.118 87 H LYS 9 HN LYS 9 44.392 8.696 3.743 88 HA LYS 9 HA LYS 9 41.989 10.372 3.553 89 HB2 LYS 9 HB2 LYS 9 44.027 10.288 1.896 90 HB3 LYS 9 HB1 LYS 9 43.131 8.923 1.146 91 HG2 LYS 9 HG2 LYS 9 42.001 11.737 1.633 92 HG3 LYS 9 HG1 LYS 9 42.721 11.197 0.103 93 HD2 LYS 9 HD2 LYS 9 40.891 9.177 0.484 94 HD3 LYS 9 HD1 LYS 9 40.053 10.512 1.310 95 HE2 LYS 9 HE2 LYS 9 40.403 11.920 -0.756 96 HE3 LYS 9 HE1 LYS 9 41.041 10.472 -1.571 97 HZ1 LYS 9 HZ1 LYS 9 38.522 11.071 -1.723 98 HZ2 LYS 9 HZ2 LYS 9 38.438 10.321 -0.202 99 HZ3 LYS 9 HZ3 LYS 9 39.003 9.454 -1.550 100 H LEU 10 HN LEU 10 42.945 7.083 3.319 101 HA LEU 10 HA LEU 10 40.527 5.756 3.829 102 HB2 LEU 10 HB2 LEU 10 39.649 6.937 1.755 103 HB3 LEU 10 HB1 LEU 10 41.063 6.296 0.863 104 HG LEU 10 HG LEU 10 40.111 3.947 1.472 105 HD11 LEU 10 HD11 LEU 10 38.668 4.439 3.325 106 HD12 LEU 10 HD12 LEU 10 37.614 3.969 1.975 107 HD13 LEU 10 HD13 LEU 10 37.797 5.685 2.402 108 HD21 LEU 10 HD21 LEU 10 38.548 3.954 -0.357 109 HD22 LEU 10 HD22 LEU 10 39.772 5.183 -0.748 110 HD23 LEU 10 HD23 LEU 10 38.184 5.679 -0.121 111 H LYS 11 HN LYS 11 42.741 6.222 1.338 112 HA LYS 11 HA LYS 11 44.268 3.823 1.564 113 HB2 LYS 11 HB2 LYS 11 42.995 4.999 -0.674 114 HB3 LYS 11 HB1 LYS 11 44.160 3.655 -0.849 115 HG2 LYS 11 HG2 LYS 11 42.105 2.831 1.039 116 HG3 LYS 11 HG1 LYS 11 41.316 3.431 -0.436 117 HD2 LYS 11 HD2 LYS 11 42.563 1.876 -1.815 118 HD3 LYS 11 HD1 LYS 11 43.565 1.379 -0.430 119 HE2 LYS 11 HE2 LYS 11 41.650 0.396 0.689 120 HE3 LYS 11 HE1 LYS 11 40.536 1.056 -0.532 121 HZ1 LYS 11 HZ1 LYS 11 41.247 -0.435 -2.110 122 HZ2 LYS 11 HZ2 LYS 11 41.362 -1.387 -0.707 123 HZ3 LYS 11 HZ3 LYS 11 42.757 -0.688 -1.379 124 H ASN 12 HN ASN 12 43.728 6.500 1.567 125 HA ASN 12 HA ASN 12 45.262 8.529 1.754 126 HB2 ASN 12 HB2 ASN 12 47.344 6.975 2.053 127 HB3 ASN 12 HB1 ASN 12 47.409 6.946 0.308 128 HD21 ASN 12 HD21 ASN 12 49.571 8.075 0.668 129 HD22 ASN 12 HD22 ASN 12 49.538 9.828 0.884 130 H GLU 13 HN GLU 13 43.444 7.016 0.133 131 HA GLU 13 HA GLU 13 42.583 6.921 -2.016 132 HB2 GLU 13 HB2 GLU 13 43.201 9.508 -1.968 133 HB3 GLU 13 HB1 GLU 13 44.620 9.009 -2.924 134 HG2 GLU 13 HG2 GLU 13 43.016 7.852 -4.522 135 HG3 GLU 13 HG1 GLU 13 41.678 8.620 -3.634 136 H ILE 14 HN ILE 14 44.737 5.235 -0.741 137 HA ILE 14 HA ILE 14 46.278 3.686 -1.616 138 HB ILE 14 HB ILE 14 46.255 4.945 -4.403 139 HG12 ILE 14 HG12 ILE 14 44.439 2.793 -3.207 140 HG13 ILE 14 HG11 ILE 14 43.924 4.351 -3.886 141 HG21 ILE 14 HG21 ILE 14 48.081 3.317 -3.630 142 HG22 ILE 14 HG22 ILE 14 47.183 2.855 -5.092 143 HG23 ILE 14 HG23 ILE 14 46.801 2.085 -3.533 144 HD11 ILE 14 HD1 ILE 14 45.023 1.929 -5.343 145 HD12 ILE 14 HD2 ILE 14 45.059 3.546 -6.087 146 HD13 ILE 14 HD3 ILE 14 43.505 2.808 -5.633 147 H LYS 15 HN LYS 15 46.554 7.113 -2.512 148 HA LYS 15 HA LYS 15 48.989 7.439 -1.051 149 HB2 LYS 15 HB2 LYS 15 49.342 6.722 -3.899 150 HB3 LYS 15 HB1 LYS 15 50.004 8.340 -3.477 151 HG2 LYS 15 HG2 LYS 15 51.475 7.409 -1.836 152 HG3 LYS 15 HG1 LYS 15 50.634 5.844 -1.824 153 HD2 LYS 15 HD2 LYS 15 51.403 5.342 -4.078 154 HD3 LYS 15 HD1 LYS 15 52.098 6.973 -4.247 155 HE2 LYS 15 HE2 LYS 15 53.711 6.517 -2.463 156 HE3 LYS 15 HE1 LYS 15 52.970 4.927 -2.160 157 HZ1 LYS 15 HZ1 LYS 15 55.051 5.180 -3.713 158 HZ2 LYS 15 HZ2 LYS 15 53.878 5.556 -4.883 159 HZ3 LYS 15 HZ3 LYS 15 53.827 4.063 -4.074 160 H LYS 16 HN LYS 16 49.462 9.444 -0.815 161 HA LYS 16 HA LYS 16 48.379 11.505 -0.740 162 HB2 LYS 16 HB2 LYS 16 50.229 11.667 -2.852 163 HB3 LYS 16 HB1 LYS 16 49.790 13.025 -1.823 164 HG2 LYS 16 HG2 LYS 16 51.028 10.449 -0.770 165 HG3 LYS 16 HG1 LYS 16 51.989 11.867 -1.242 166 HD2 LYS 16 HD2 LYS 16 50.498 13.218 0.390 167 HD3 LYS 16 HD1 LYS 16 49.945 11.642 1.004 168 HE2 LYS 16 HE2 LYS 16 52.399 11.034 1.336 169 HE3 LYS 16 HE1 LYS 16 52.784 12.737 0.989 170 HZ1 LYS 16 HZ1 LYS 16 52.153 11.743 3.425 171 HZ2 LYS 16 HZ2 LYS 16 50.666 12.387 2.915 172 HZ3 LYS 16 HZ3 LYS 16 52.046 13.376 2.981 173 H LYS 17 HN LYS 17 48.868 11.526 -3.451 174 HA LYS 17 HA LYS 17 46.040 11.961 -4.403 175 HB2 LYS 17 HB2 LYS 17 48.357 13.743 -5.280 176 HB3 LYS 17 HB1 LYS 17 46.654 13.877 -5.743 177 HG2 LYS 17 HG2 LYS 17 46.030 14.404 -3.413 178 HG3 LYS 17 HG1 LYS 17 47.727 14.240 -2.912 179 HD2 LYS 17 HD2 LYS 17 48.384 16.132 -4.285 180 HD3 LYS 17 HD1 LYS 17 46.754 16.237 -4.989 181 HE2 LYS 17 HE2 LYS 17 45.794 16.824 -2.832 182 HE3 LYS 17 HE1 LYS 17 47.355 16.554 -2.021 183 HZ1 LYS 17 HZ1 LYS 17 46.557 18.938 -2.840 184 HZ2 LYS 17 HZ2 LYS 17 47.336 18.428 -4.262 185 HZ3 LYS 17 HZ3 LYS 17 48.192 18.490 -2.796 186 H GLY 18 HN GLY 18 48.615 10.387 -3.869 187 HA2 GLY 18 HA1 GLY 18 48.914 8.348 -5.470 188 HA3 GLY 18 HA2 GLY 18 48.929 9.495 -6.822 189 H ARG 19 HN ARG 19 50.335 10.158 -3.726 190 HA ARG 19 HA ARG 19 52.818 9.826 -3.274 191 HB2 ARG 19 HB2 ARG 19 53.314 9.234 -5.758 192 HB3 ARG 19 HB1 ARG 19 53.038 11.017 -6.159 193 HG2 ARG 19 HG2 ARG 19 55.482 10.280 -5.854 194 HG3 ARG 19 HG1 ARG 19 54.981 11.570 -4.744 195 HD2 ARG 19 HD2 ARG 19 55.095 10.158 -2.871 196 HD3 ARG 19 HD1 ARG 19 54.809 8.687 -3.835 197 HE ARG 19 HE ARG 19 57.306 9.874 -4.612 198 HH11 ARG 19 HH11 ARG 19 58.979 9.844 -2.839 199 HH12 ARG 19 HH12 ARG 19 59.009 8.385 -1.907 200 HH21 ARG 19 HH21 ARG 19 55.939 7.267 -3.067 201 HH22 ARG 19 HH22 ARG 19 57.287 6.926 -2.035 202 H LYS 20 HN LYS 20 51.046 11.799 -5.266 203 HA LYS 20 HA LYS 20 50.872 13.840 -5.813 204 HB2 LYS 20 HB2 LYS 20 50.797 15.606 -4.575 205 HB3 LYS 20 HB1 LYS 20 49.934 14.322 -3.744 206 HG2 LYS 20 HG2 LYS 20 51.967 14.031 -2.216 207 HG3 LYS 20 HG1 LYS 20 52.633 15.506 -2.948 208 HD2 LYS 20 HD2 LYS 20 50.639 16.780 -2.234 209 HD3 LYS 20 HD1 LYS 20 49.988 15.320 -1.457 210 HE2 LYS 20 HE2 LYS 20 51.093 16.619 0.260 211 HE3 LYS 20 HE1 LYS 20 52.122 15.208 -0.085 212 HZ1 LYS 20 HZ1 LYS 20 52.482 17.885 -1.335 213 HZ2 LYS 20 HZ2 LYS 20 53.520 16.545 -1.462 214 HZ3 LYS 20 HZ3 LYS 20 53.342 17.348 0.025 215 H ALA 21 HN ALA 21 52.011 13.444 -6.863 216 HA ALA 21 HA ALA 21 54.049 14.939 -7.660 217 HB1 ALA 21 HB1 ALA 21 55.455 13.514 -5.968 218 HB2 ALA 21 HB2 ALA 21 56.036 13.583 -7.648 219 HB3 ALA 21 HB3 ALA 21 55.117 12.173 -7.084 220 H VAL 22 HN VAL 22 51.673 13.197 -7.109 221 HA VAL 22 HA VAL 22 51.490 12.556 -10.067 222 HB VAL 22 HB VAL 22 50.234 11.111 -7.717 223 HG11 VAL 22 HG11 VAL 22 48.873 9.884 -9.579 224 HG12 VAL 22 HG12 VAL 22 49.233 11.317 -10.573 225 HG13 VAL 22 HG13 VAL 22 48.313 11.490 -9.058 226 HG21 VAL 22 HG21 VAL 22 51.024 9.090 -8.946 227 HG22 VAL 22 HG22 VAL 22 52.365 10.214 -8.611 228 HG23 VAL 22 HG23 VAL 22 51.648 10.143 -10.238 229 H ILE 23 HN ILE 23 51.341 14.693 -7.837 230 HA ILE 23 HA ILE 23 49.424 16.063 -9.426 231 HB ILE 23 HB ILE 23 48.388 15.617 -6.592 232 HG12 ILE 23 HG12 ILE 23 47.327 15.093 -9.405 233 HG13 ILE 23 HG11 ILE 23 47.403 13.979 -8.027 234 HG21 ILE 23 HG21 ILE 23 48.444 18.078 -7.169 235 HG22 ILE 23 HG22 ILE 23 46.798 17.480 -6.993 236 HG23 ILE 23 HG23 ILE 23 47.477 17.725 -8.615 237 HD11 ILE 23 HD1 ILE 23 45.096 14.539 -8.313 238 HD12 ILE 23 HD2 ILE 23 45.457 16.266 -8.520 239 HD13 ILE 23 HD3 ILE 23 45.622 15.510 -6.924 240 H ALA 24 HN ALA 24 51.527 15.599 -6.921 241 HA ALA 24 HA ALA 24 52.204 18.437 -7.085 242 HB1 ALA 24 HB1 ALA 24 52.789 16.779 -5.034 243 HB2 ALA 24 HB2 ALA 24 53.853 18.126 -5.479 244 HB3 ALA 24 HB3 ALA 24 54.219 16.490 -6.046 245 H TRP 25 HN TRP 25 51.970 15.515 -8.642 246 HA TRP 25 HA TRP 25 52.800 14.925 -10.784 247 HB2 TRP 25 HB2 TRP 25 52.100 17.325 -11.262 248 HB3 TRP 25 HB1 TRP 25 53.812 17.772 -11.096 249 HD1 TRP 25 HD1 TRP 25 55.342 17.370 -13.113 250 HE1 TRP 25 HE1 TRP 25 55.081 16.297 -15.467 251 HE3 TRP 25 HE3 TRP 25 50.706 15.278 -12.536 252 HZ2 TRP 25 HZ2 TRP 25 53.109 14.745 -16.879 253 HZ3 TRP 25 HZ3 TRP 25 49.654 14.005 -14.400 254 HH2 TRP 25 HH2 TRP 25 50.851 13.736 -16.568
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