NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636108 | 6cfa | 30408 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 5.965 3.059 -5.103 2 H3 PRO 1 HT2 PRO 1 4.290 3.061 -5.367 3 HA PRO 1 HA PRO 1 3.932 1.642 -3.729 4 HB2 PRO 1 HB2 PRO 1 6.242 -0.147 -4.295 5 HB3 PRO 1 HB1 PRO 1 4.517 -0.539 -4.106 6 HG2 PRO 1 HG2 PRO 1 5.737 -0.496 -6.506 7 HG3 PRO 1 HG1 PRO 1 4.030 -0.075 -6.287 8 HD2 PRO 1 HD2 PRO 1 6.351 1.718 -6.832 9 HD3 PRO 1 HD1 PRO 1 4.638 1.935 -7.248 10 H MET 2 HN MET 2 4.981 3.742 -2.774 11 HA MET 2 HA MET 2 7.570 3.820 -1.780 12 HB2 MET 2 HB2 MET 2 6.518 5.285 0.054 13 HB3 MET 2 HB1 MET 2 6.316 5.809 -1.616 14 HG2 MET 2 HG2 MET 2 4.195 3.984 -0.693 15 HG3 MET 2 HG1 MET 2 4.263 5.504 0.201 16 HE1 MET 2 HE1 MET 2 2.957 3.660 -2.610 17 HE2 MET 2 HE2 MET 2 1.964 4.891 -3.382 18 HE3 MET 2 HE3 MET 2 1.781 4.576 -1.658 19 H ALA 3 HN ALA 3 4.727 2.169 -0.539 20 HA ALA 3 HA ALA 3 5.585 1.605 2.053 21 HB1 ALA 3 HB1 ALA 3 3.849 0.044 0.139 22 HB2 ALA 3 HB2 ALA 3 3.332 1.099 1.453 23 HB3 ALA 3 HB3 ALA 3 4.102 -0.445 1.813 24 H ARG 4 HN ARG 4 5.997 -0.358 -0.878 25 HA ARG 4 HA ARG 4 7.673 -2.288 0.439 26 HB2 ARG 4 HB2 ARG 4 7.950 -2.319 -2.446 27 HB3 ARG 4 HB1 ARG 4 7.214 -3.518 -1.383 28 HG2 ARG 4 HG2 ARG 4 5.139 -2.110 -1.337 29 HG3 ARG 4 HG1 ARG 4 5.899 -1.039 -2.519 30 HD2 ARG 4 HD2 ARG 4 5.693 -2.540 -4.227 31 HD3 ARG 4 HD1 ARG 4 5.924 -3.932 -3.185 32 HE ARG 4 HE ARG 4 3.378 -2.592 -3.743 33 HH11 ARG 4 HH11 ARG 4 1.561 -3.715 -2.989 34 HH12 ARG 4 HH12 ARG 4 1.751 -5.082 -1.944 35 HH21 ARG 4 HH21 ARG 4 5.214 -4.910 -1.905 36 HH22 ARG 4 HH22 ARG 4 3.820 -5.763 -1.338 37 H ASN 5 HN ASN 5 8.152 0.582 -1.487 38 HA ASN 5 HA ASN 5 10.835 0.238 -2.201 39 HB2 ASN 5 HB2 ASN 5 9.886 2.023 -3.289 40 HB3 ASN 5 HB1 ASN 5 8.992 2.547 -1.871 41 HD21 ASN 5 HD21 ASN 5 12.363 2.382 -3.116 42 HD22 ASN 5 HD22 ASN 5 12.885 3.784 -2.310 43 H LYS 6 HN LYS 6 9.441 1.799 0.686 44 HA LYS 6 HA LYS 6 11.831 2.680 1.826 45 HB2 LYS 6 HB2 LYS 6 9.125 2.014 2.878 46 HB3 LYS 6 HB1 LYS 6 10.436 2.155 4.048 47 HG2 LYS 6 HG2 LYS 6 9.576 4.350 3.892 48 HG3 LYS 6 HG1 LYS 6 11.006 4.381 2.861 49 HD2 LYS 6 HD2 LYS 6 9.391 3.760 0.937 50 HD3 LYS 6 HD1 LYS 6 8.101 4.227 2.049 51 HE2 LYS 6 HE2 LYS 6 8.474 6.268 1.049 52 HE3 LYS 6 HE1 LYS 6 9.655 6.383 2.355 53 HZ1 LYS 6 HZ1 LYS 6 11.393 6.014 0.943 54 HZ2 LYS 6 HZ2 LYS 6 10.341 6.823 -0.107 55 HZ3 LYS 6 HZ3 LYS 6 10.474 5.127 -0.181 56 H LYS 7 HN LYS 7 10.234 -0.462 2.125 57 HA LYS 7 HA LYS 7 12.020 -1.536 4.031 58 HB2 LYS 7 HB2 LYS 7 10.819 -3.404 2.070 59 HB3 LYS 7 HB1 LYS 7 10.813 -3.453 3.831 60 HG2 LYS 7 HG2 LYS 7 9.018 -1.834 2.014 61 HG3 LYS 7 HG1 LYS 7 8.551 -3.016 3.230 62 HD2 LYS 7 HD2 LYS 7 10.013 -1.122 4.668 63 HD3 LYS 7 HD1 LYS 7 9.052 -0.168 3.546 64 HE2 LYS 7 HE2 LYS 7 7.987 -2.301 5.416 65 HE3 LYS 7 HE1 LYS 7 7.765 -0.564 5.579 66 HZ1 LYS 7 HZ1 LYS 7 5.928 -0.890 4.401 67 HZ2 LYS 7 HZ2 LYS 7 6.417 -2.420 3.853 68 HZ3 LYS 7 HZ3 LYS 7 6.951 -1.019 3.052 69 H LEU 8 HN LEU 8 12.004 -1.669 0.483 70 HA LEU 8 HA LEU 8 14.381 -3.278 0.354 71 HB2 LEU 8 HB2 LEU 8 12.993 -1.590 -1.740 72 HB3 LEU 8 HB1 LEU 8 14.333 -2.689 -2.065 73 HG LEU 8 HG LEU 8 12.246 -4.007 -0.510 74 HD11 LEU 8 HD11 LEU 8 10.369 -3.518 -1.646 75 HD12 LEU 8 HD12 LEU 8 11.174 -3.733 -3.198 76 HD13 LEU 8 HD13 LEU 8 11.239 -2.172 -2.378 77 HD21 LEU 8 HD21 LEU 8 13.890 -4.463 -2.958 78 HD22 LEU 8 HD22 LEU 8 12.392 -5.381 -2.822 79 HD23 LEU 8 HD23 LEU 8 13.624 -5.514 -1.570 80 H LEU 9 HN LEU 9 13.667 0.186 0.106 81 HA LEU 9 HA LEU 9 16.197 1.087 -0.706 82 HB2 LEU 9 HB2 LEU 9 13.875 2.346 -0.218 83 HB3 LEU 9 HB1 LEU 9 14.716 2.734 1.283 84 HG LEU 9 HG LEU 9 16.688 3.459 -0.173 85 HD11 LEU 9 HD11 LEU 9 16.512 2.961 -2.380 86 HD12 LEU 9 HD12 LEU 9 15.287 4.225 -2.491 87 HD13 LEU 9 HD13 LEU 9 14.806 2.551 -2.215 88 HD21 LEU 9 HD21 LEU 9 14.072 4.969 -0.464 89 HD22 LEU 9 HD22 LEU 9 15.684 5.655 -0.651 90 HD23 LEU 9 HD23 LEU 9 15.158 5.067 0.925 91 H LYS 10 HN LYS 10 14.910 0.502 2.556 92 HA LYS 10 HA LYS 10 17.130 1.424 4.018 93 HB2 LYS 10 HB2 LYS 10 15.196 -0.816 4.668 94 HB3 LYS 10 HB1 LYS 10 16.336 -0.112 5.810 95 HG2 LYS 10 HG2 LYS 10 14.941 2.058 4.613 96 HG3 LYS 10 HG1 LYS 10 13.735 0.851 5.053 97 HD2 LYS 10 HD2 LYS 10 15.842 1.999 6.901 98 HD3 LYS 10 HD1 LYS 10 14.120 2.368 6.938 99 HE2 LYS 10 HE2 LYS 10 13.899 -0.275 7.129 100 HE3 LYS 10 HE1 LYS 10 15.537 -0.142 7.768 101 HZ1 LYS 10 HZ1 LYS 10 13.059 1.075 8.814 102 HZ2 LYS 10 HZ2 LYS 10 14.592 1.659 9.244 103 HZ3 LYS 10 HZ3 LYS 10 14.158 0.060 9.611 104 H LYS 11 HN LYS 11 16.651 -1.499 2.214 105 HA LYS 11 HA LYS 11 18.914 -2.824 3.438 106 HB2 LYS 11 HB2 LYS 11 16.879 -3.608 1.367 107 HB3 LYS 11 HB1 LYS 11 18.307 -4.591 1.659 108 HG2 LYS 11 HG2 LYS 11 16.118 -5.144 2.964 109 HG3 LYS 11 HG1 LYS 11 17.646 -5.144 3.838 110 HD2 LYS 11 HD2 LYS 11 17.189 -3.073 4.875 111 HD3 LYS 11 HD1 LYS 11 15.955 -2.655 3.689 112 HE2 LYS 11 HE2 LYS 11 15.666 -4.995 5.584 113 HE3 LYS 11 HE1 LYS 11 15.075 -3.377 5.960 114 HZ1 LYS 11 HZ1 LYS 11 14.069 -3.695 3.528 115 HZ2 LYS 11 HZ2 LYS 11 13.243 -4.137 4.948 116 HZ3 LYS 11 HZ3 LYS 11 14.065 -5.315 4.045 117 H LEU 12 HN LEU 12 18.057 -1.228 0.433 118 HA LEU 12 HA LEU 12 20.397 -2.029 -1.005 119 HB2 LEU 12 HB2 LEU 12 18.317 0.102 -1.435 120 HB3 LEU 12 HB1 LEU 12 19.695 -0.096 -2.515 121 HG LEU 12 HG LEU 12 18.063 -2.508 -1.814 122 HD11 LEU 12 HD11 LEU 12 17.311 -0.365 -3.821 123 HD12 LEU 12 HD12 LEU 12 16.348 -0.913 -2.450 124 HD13 LEU 12 HD13 LEU 12 16.621 -1.988 -3.820 125 HD21 LEU 12 HD21 LEU 12 18.728 -3.116 -4.139 126 HD22 LEU 12 HD22 LEU 12 20.124 -2.761 -3.122 127 HD23 LEU 12 HD23 LEU 12 19.553 -1.563 -4.284 128 H ARG 13 HN ARG 13 19.668 0.740 1.069 129 HA ARG 13 HA ARG 13 21.697 2.427 0.128 130 HB2 ARG 13 HB2 ARG 13 21.510 3.555 2.377 131 HB3 ARG 13 HB1 ARG 13 20.013 3.395 1.467 132 HG2 ARG 13 HG2 ARG 13 19.075 2.257 3.152 133 HG3 ARG 13 HG1 ARG 13 20.353 1.048 3.080 134 HD2 ARG 13 HD2 ARG 13 21.731 2.260 4.605 135 HD3 ARG 13 HD1 ARG 13 20.752 3.711 4.451 136 HE ARG 13 HE ARG 13 20.150 1.367 6.082 137 HH11 ARG 13 HH11 ARG 13 18.475 1.695 7.571 138 HH12 ARG 13 HH12 ARG 13 17.456 3.091 7.446 139 HH21 ARG 13 HH21 ARG 13 19.045 4.311 4.598 140 HH22 ARG 13 HH22 ARG 13 17.776 4.576 5.746 141 H LEU 14 HN LEU 14 21.930 0.295 3.066 142 HA LEU 14 HA LEU 14 24.639 1.023 3.483 143 HB2 LEU 14 HB2 LEU 14 24.706 -1.126 4.881 144 HB3 LEU 14 HB1 LEU 14 23.624 0.162 5.390 145 HG LEU 14 HG LEU 14 22.680 -2.206 5.407 146 HD11 LEU 14 HD11 LEU 14 20.674 -1.238 5.373 147 HD12 LEU 14 HD12 LEU 14 20.811 -0.860 3.659 148 HD13 LEU 14 HD13 LEU 14 21.485 0.239 4.862 149 HD21 LEU 14 HD21 LEU 14 21.995 -3.208 3.367 150 HD22 LEU 14 HD22 LEU 14 23.691 -2.782 3.163 151 HD23 LEU 14 HD23 LEU 14 22.435 -1.780 2.433 152 H LYS 15 HN LYS 15 23.366 -0.821 1.007 153 HA LYS 15 HA LYS 15 25.625 -2.649 0.823 154 HB2 LYS 15 HB2 LYS 15 23.021 -2.351 -0.507 155 HB3 LYS 15 HB1 LYS 15 24.330 -2.800 -1.600 156 HG2 LYS 15 HG2 LYS 15 24.703 -4.827 -0.557 157 HG3 LYS 15 HG1 LYS 15 24.155 -4.238 1.012 158 HD2 LYS 15 HD2 LYS 15 21.969 -4.136 -0.875 159 HD3 LYS 15 HD1 LYS 15 22.665 -5.754 -0.853 160 HE2 LYS 15 HE2 LYS 15 22.088 -4.315 1.725 161 HE3 LYS 15 HE1 LYS 15 20.807 -5.177 0.884 162 HZ1 LYS 15 HZ1 LYS 15 21.690 -7.151 1.386 163 HZ2 LYS 15 HZ2 LYS 15 22.481 -6.309 2.629 164 HZ3 LYS 15 HZ3 LYS 15 23.291 -6.633 1.171 165 H ILE 16 HN ILE 16 24.432 0.258 -0.878 166 HA ILE 16 HA ILE 16 26.917 0.303 -2.391 167 HB ILE 16 HB ILE 16 25.772 1.283 -4.043 168 HG12 ILE 16 HG12 ILE 16 25.473 3.391 -2.590 169 HG13 ILE 16 HG11 ILE 16 24.292 3.134 -3.868 170 HG21 ILE 16 HG21 ILE 16 24.368 -0.661 -3.262 171 HG22 ILE 16 HG22 ILE 16 23.527 0.541 -4.238 172 HG23 ILE 16 HG23 ILE 16 23.314 0.525 -2.492 173 HD11 ILE 16 HD11 ILE 16 23.540 3.689 -1.362 174 HD12 ILE 16 HD12 ILE 16 23.698 1.941 -1.198 175 HD13 ILE 16 HD13 ILE 16 22.599 2.615 -2.395 176 H ALA 17 HN ALA 17 25.092 2.072 -0.012 177 HA ALA 17 HA ALA 17 26.752 4.418 -0.099 178 HB1 ALA 17 HB1 ALA 17 24.283 4.070 0.812 179 HB2 ALA 17 HB2 ALA 17 25.348 5.304 1.480 180 HB3 ALA 17 HB3 ALA 17 25.143 3.768 2.322 181 H PHE 18 HN PHE 18 27.735 1.493 0.660 182 HA PHE 18 HA PHE 18 29.259 2.349 3.052 183 HB2 PHE 18 HB2 PHE 18 28.094 -0.267 2.219 184 HB3 PHE 18 HB1 PHE 18 29.661 -0.314 3.023 185 HD1 PHE 18 HD1 PHE 18 26.741 1.999 3.507 186 HD2 PHE 18 HD2 PHE 18 29.265 -1.035 5.217 187 HE1 PHE 18 HE1 PHE 18 25.638 2.318 5.701 188 HE2 PHE 18 HE2 PHE 18 28.158 -0.716 7.409 189 HZ PHE 18 HZ PHE 18 26.347 0.965 7.654 190 H LYS 19 HN LYS 19 29.424 1.908 -0.223 191 HA LYS 19 HA LYS 19 32.356 1.608 -0.141 192 HB2 LYS 19 HB2 LYS 19 31.637 0.548 -2.591 193 HB3 LYS 19 HB1 LYS 19 32.090 -0.382 -1.170 194 HG2 LYS 19 HG2 LYS 19 29.238 0.515 -1.470 195 HG3 LYS 19 HG1 LYS 19 29.807 -0.878 -2.386 196 HD2 LYS 19 HD2 LYS 19 30.619 -0.911 0.453 197 HD3 LYS 19 HD1 LYS 19 28.875 -1.000 0.198 198 HE2 LYS 19 HE2 LYS 19 30.866 -2.743 -1.264 199 HE3 LYS 19 HE1 LYS 19 30.049 -3.244 0.214 200 HZ1 LYS 19 HZ1 LYS 19 28.011 -2.349 -1.334 201 HZ2 LYS 19 HZ2 LYS 19 28.470 -3.979 -1.158 202 HZ3 LYS 19 HZ3 LYS 19 29.041 -3.080 -2.474 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 3.978 1.731 -5.720 2 H3 PRO 1 HT2 PRO 1 2.558 2.578 -5.352 3 HA PRO 1 HA PRO 1 2.493 1.875 -3.255 4 HB2 PRO 1 HB2 PRO 1 3.773 -0.769 -3.733 5 HB3 PRO 1 HB1 PRO 1 2.320 -0.363 -2.793 6 HG2 PRO 1 HG2 PRO 1 2.256 -1.464 -5.293 7 HG3 PRO 1 HG1 PRO 1 0.964 -0.475 -4.597 8 HD2 PRO 1 HD2 PRO 1 2.792 0.199 -6.793 9 HD3 PRO 1 HD1 PRO 1 1.301 1.015 -6.291 10 H MET 2 HN MET 2 4.261 3.559 -3.359 11 HA MET 2 HA MET 2 6.992 2.920 -3.490 12 HB2 MET 2 HB2 MET 2 7.286 5.061 -2.164 13 HB3 MET 2 HB1 MET 2 6.323 5.219 -3.631 14 HG2 MET 2 HG2 MET 2 4.942 4.624 -1.031 15 HG3 MET 2 HG1 MET 2 5.453 6.274 -1.377 16 HE1 MET 2 HE1 MET 2 2.988 4.104 -1.127 17 HE2 MET 2 HE2 MET 2 1.794 4.236 -2.413 18 HE3 MET 2 HE3 MET 2 1.985 5.552 -1.258 19 H ALA 3 HN ALA 3 4.675 2.241 -1.058 20 HA ALA 3 HA ALA 3 6.207 2.294 1.269 21 HB1 ALA 3 HB1 ALA 3 4.026 0.328 0.537 22 HB2 ALA 3 HB2 ALA 3 3.779 1.911 1.273 23 HB3 ALA 3 HB3 ALA 3 4.622 0.647 2.165 24 H ARG 4 HN ARG 4 6.343 0.132 -1.415 25 HA ARG 4 HA ARG 4 7.599 -2.075 -0.093 26 HB2 ARG 4 HB2 ARG 4 8.098 -2.878 -2.323 27 HB3 ARG 4 HB1 ARG 4 6.469 -2.193 -2.337 28 HG2 ARG 4 HG2 ARG 4 7.554 0.001 -3.087 29 HG3 ARG 4 HG1 ARG 4 9.027 -0.937 -3.359 30 HD2 ARG 4 HD2 ARG 4 7.685 -2.463 -4.854 31 HD3 ARG 4 HD1 ARG 4 6.339 -1.332 -4.705 32 HE ARG 4 HE ARG 4 8.596 0.145 -5.478 33 HH11 ARG 4 HH11 ARG 4 8.908 0.674 -7.660 34 HH12 ARG 4 HH12 ARG 4 8.112 -0.242 -8.895 35 HH21 ARG 4 HH21 ARG 4 6.538 -2.374 -6.681 36 HH22 ARG 4 HH22 ARG 4 6.771 -1.957 -8.341 37 H ASN 5 HN ASN 5 8.753 0.769 -1.811 38 HA ASN 5 HA ASN 5 11.489 0.132 -1.887 39 HB2 ASN 5 HB2 ASN 5 10.564 1.913 -3.252 40 HB3 ASN 5 HB1 ASN 5 10.125 2.833 -1.815 41 HD21 ASN 5 HD21 ASN 5 11.631 4.386 -1.230 42 HD22 ASN 5 HD22 ASN 5 13.282 4.341 -1.622 43 H LYS 6 HN LYS 6 9.587 1.852 0.563 44 HA LYS 6 HA LYS 6 11.675 2.733 2.194 45 HB2 LYS 6 HB2 LYS 6 8.797 2.111 2.627 46 HB3 LYS 6 HB1 LYS 6 9.817 2.234 4.057 47 HG2 LYS 6 HG2 LYS 6 9.121 4.454 3.756 48 HG3 LYS 6 HG1 LYS 6 10.690 4.441 2.955 49 HD2 LYS 6 HD2 LYS 6 9.611 4.148 0.773 50 HD3 LYS 6 HD1 LYS 6 8.030 4.041 1.549 51 HE2 LYS 6 HE2 LYS 6 8.254 6.304 0.761 52 HE3 LYS 6 HE1 LYS 6 8.455 6.348 2.514 53 HZ1 LYS 6 HZ1 LYS 6 10.504 6.606 0.410 54 HZ2 LYS 6 HZ2 LYS 6 10.937 6.052 1.953 55 HZ3 LYS 6 HZ3 LYS 6 10.235 7.585 1.766 56 H LYS 7 HN LYS 7 10.175 -0.430 1.970 57 HA LYS 7 HA LYS 7 11.451 -1.474 4.312 58 HB2 LYS 7 HB2 LYS 7 10.572 -3.330 2.164 59 HB3 LYS 7 HB1 LYS 7 10.295 -3.404 3.903 60 HG2 LYS 7 HG2 LYS 7 8.841 -1.731 1.853 61 HG3 LYS 7 HG1 LYS 7 8.165 -2.919 2.956 62 HD2 LYS 7 HD2 LYS 7 9.389 -1.101 4.657 63 HD3 LYS 7 HD1 LYS 7 8.702 -0.084 3.396 64 HE2 LYS 7 HE2 LYS 7 7.106 -2.279 4.723 65 HE3 LYS 7 HE1 LYS 7 7.144 -0.633 5.341 66 HZ1 LYS 7 HZ1 LYS 7 6.712 -0.620 2.545 67 HZ2 LYS 7 HZ2 LYS 7 5.731 0.005 3.788 68 HZ3 LYS 7 HZ3 LYS 7 5.557 -1.611 3.305 69 H LEU 8 HN LEU 8 12.129 -1.606 0.839 70 HA LEU 8 HA LEU 8 14.453 -3.288 1.241 71 HB2 LEU 8 HB2 LEU 8 13.199 -1.995 -1.172 72 HB3 LEU 8 HB1 LEU 8 14.753 -2.821 -1.256 73 HG LEU 8 HG LEU 8 13.024 -4.551 0.177 74 HD11 LEU 8 HD11 LEU 8 11.707 -3.150 -2.134 75 HD12 LEU 8 HD12 LEU 8 11.012 -3.648 -0.593 76 HD13 LEU 8 HD13 LEU 8 11.358 -4.852 -1.833 77 HD21 LEU 8 HD21 LEU 8 14.764 -5.413 -1.205 78 HD22 LEU 8 HD22 LEU 8 14.190 -4.526 -2.615 79 HD23 LEU 8 HD23 LEU 8 13.266 -5.895 -2.003 80 H LEU 9 HN LEU 9 13.822 0.156 0.884 81 HA LEU 9 HA LEU 9 16.315 1.022 -0.006 82 HB2 LEU 9 HB2 LEU 9 14.039 2.294 0.705 83 HB3 LEU 9 HB1 LEU 9 15.036 2.660 2.107 84 HG LEU 9 HG LEU 9 15.350 4.415 0.463 85 HD11 LEU 9 HD11 LEU 9 17.714 4.397 0.335 86 HD12 LEU 9 HD12 LEU 9 17.780 2.640 0.218 87 HD13 LEU 9 HD13 LEU 9 17.342 3.406 1.744 88 HD21 LEU 9 HD21 LEU 9 15.295 4.016 -1.750 89 HD22 LEU 9 HD22 LEU 9 15.010 2.313 -1.390 90 HD23 LEU 9 HD23 LEU 9 16.656 2.900 -1.631 91 H LYS 10 HN LYS 10 15.223 0.487 3.362 92 HA LYS 10 HA LYS 10 17.632 1.254 4.590 93 HB2 LYS 10 HB2 LYS 10 16.863 -0.305 6.469 94 HB3 LYS 10 HB1 LYS 10 15.775 1.012 6.032 95 HG2 LYS 10 HG2 LYS 10 14.972 -1.002 4.320 96 HG3 LYS 10 HG1 LYS 10 15.390 -1.894 5.781 97 HD2 LYS 10 HD2 LYS 10 13.591 0.546 5.749 98 HD3 LYS 10 HD1 LYS 10 13.000 -1.115 5.720 99 HE2 LYS 10 HE2 LYS 10 14.982 -0.660 7.833 100 HE3 LYS 10 HE1 LYS 10 13.560 0.369 8.001 101 HZ1 LYS 10 HZ1 LYS 10 13.725 -2.198 8.810 102 HZ2 LYS 10 HZ2 LYS 10 12.947 -2.358 7.312 103 HZ3 LYS 10 HZ3 LYS 10 12.280 -1.363 8.517 104 H LYS 11 HN LYS 11 16.777 -1.590 2.841 105 HA LYS 11 HA LYS 11 19.062 -3.070 3.829 106 HB2 LYS 11 HB2 LYS 11 16.654 -3.705 2.205 107 HB3 LYS 11 HB1 LYS 11 18.101 -4.661 1.898 108 HG2 LYS 11 HG2 LYS 11 16.706 -5.740 3.610 109 HG3 LYS 11 HG1 LYS 11 18.233 -5.219 4.319 110 HD2 LYS 11 HD2 LYS 11 17.215 -3.342 5.380 111 HD3 LYS 11 HD1 LYS 11 15.746 -3.495 4.416 112 HE2 LYS 11 HE2 LYS 11 16.682 -5.631 6.354 113 HE3 LYS 11 HE1 LYS 11 15.540 -4.364 6.785 114 HZ1 LYS 11 HZ1 LYS 11 15.051 -6.768 5.413 115 HZ2 LYS 11 HZ2 LYS 11 14.664 -5.479 4.385 116 HZ3 LYS 11 HZ3 LYS 11 13.945 -5.595 5.923 117 H LEU 12 HN LEU 12 17.918 -1.458 0.917 118 HA LEU 12 HA LEU 12 20.123 -2.239 -0.727 119 HB2 LEU 12 HB2 LEU 12 18.032 -0.084 -1.002 120 HB3 LEU 12 HB1 LEU 12 19.238 -0.432 -2.243 121 HG LEU 12 HG LEU 12 17.533 -2.661 -1.138 122 HD11 LEU 12 HD11 LEU 12 16.769 -0.752 -3.369 123 HD12 LEU 12 HD12 LEU 12 15.961 -0.885 -1.807 124 HD13 LEU 12 HD13 LEU 12 15.902 -2.229 -2.947 125 HD21 LEU 12 HD21 LEU 12 18.002 -3.645 -3.320 126 HD22 LEU 12 HD22 LEU 12 19.519 -3.097 -2.607 127 HD23 LEU 12 HD23 LEU 12 18.744 -2.141 -3.869 128 H ARG 13 HN ARG 13 19.629 0.420 1.500 129 HA ARG 13 HA ARG 13 21.444 2.259 0.409 130 HB2 ARG 13 HB2 ARG 13 21.663 3.019 2.877 131 HB3 ARG 13 HB1 ARG 13 20.090 3.136 2.092 132 HG2 ARG 13 HG2 ARG 13 19.209 1.816 3.660 133 HG3 ARG 13 HG1 ARG 13 20.297 0.513 3.192 134 HD2 ARG 13 HD2 ARG 13 22.027 1.405 4.711 135 HD3 ARG 13 HD1 ARG 13 20.949 2.728 5.159 136 HE ARG 13 HE ARG 13 19.853 0.054 5.551 137 HH11 ARG 13 HH11 ARG 13 19.298 -0.427 7.708 138 HH12 ARG 13 HH12 ARG 13 19.886 0.575 8.993 139 HH21 ARG 13 HH21 ARG 13 21.636 2.722 6.888 140 HH22 ARG 13 HH22 ARG 13 21.216 2.362 8.528 141 H LEU 14 HN LEU 14 22.039 -0.338 2.797 142 HA LEU 14 HA LEU 14 24.729 0.349 3.251 143 HB2 LEU 14 HB2 LEU 14 24.987 -2.085 3.931 144 HB3 LEU 14 HB1 LEU 14 23.769 -1.152 4.796 145 HG LEU 14 HG LEU 14 22.676 -2.404 2.385 146 HD11 LEU 14 HD11 LEU 14 24.275 -4.162 2.796 147 HD12 LEU 14 HD12 LEU 14 22.718 -4.716 3.411 148 HD13 LEU 14 HD13 LEU 14 23.949 -4.126 4.528 149 HD21 LEU 14 HD21 LEU 14 21.088 -1.660 3.932 150 HD22 LEU 14 HD22 LEU 14 22.053 -2.157 5.316 151 HD23 LEU 14 HD23 LEU 14 21.195 -3.368 4.367 152 H LYS 15 HN LYS 15 23.311 -0.903 0.406 153 HA LYS 15 HA LYS 15 25.738 -2.269 -0.478 154 HB2 LYS 15 HB2 LYS 15 23.081 -1.705 -1.797 155 HB3 LYS 15 HB1 LYS 15 24.437 -2.422 -2.666 156 HG2 LYS 15 HG2 LYS 15 23.679 -4.412 -1.899 157 HG3 LYS 15 HG1 LYS 15 24.348 -3.929 -0.341 158 HD2 LYS 15 HD2 LYS 15 22.114 -2.755 0.094 159 HD3 LYS 15 HD1 LYS 15 21.499 -3.619 -1.317 160 HE2 LYS 15 HE2 LYS 15 22.625 -4.841 1.218 161 HE3 LYS 15 HE1 LYS 15 20.960 -4.939 0.635 162 HZ1 LYS 15 HZ1 LYS 15 23.091 -6.638 0.042 163 HZ2 LYS 15 HZ2 LYS 15 22.685 -5.820 -1.392 164 HZ3 LYS 15 HZ3 LYS 15 21.507 -6.698 -0.552 165 H ILE 16 HN ILE 16 23.969 0.741 -1.207 166 HA ILE 16 HA ILE 16 25.992 1.561 -3.113 167 HB ILE 16 HB ILE 16 24.374 2.883 -3.894 168 HG12 ILE 16 HG12 ILE 16 25.173 4.539 -2.082 169 HG13 ILE 16 HG11 ILE 16 23.570 4.800 -2.759 170 HG21 ILE 16 HG21 ILE 16 22.689 1.936 -1.562 171 HG22 ILE 16 HG22 ILE 16 22.914 1.059 -3.074 172 HG23 ILE 16 HG23 ILE 16 22.091 2.618 -3.073 173 HD11 ILE 16 HD11 ILE 16 23.370 2.981 -0.540 174 HD12 ILE 16 HD12 ILE 16 22.624 4.564 -0.739 175 HD13 ILE 16 HD13 ILE 16 24.237 4.429 -0.037 176 H ALA 17 HN ALA 17 25.382 1.823 0.238 177 HA ALA 17 HA ALA 17 27.284 4.042 0.582 178 HB1 ALA 17 HB1 ALA 17 26.597 4.043 2.908 179 HB2 ALA 17 HB2 ALA 17 25.687 2.550 2.680 180 HB3 ALA 17 HB3 ALA 17 25.157 4.037 1.894 181 H PHE 18 HN PHE 18 27.741 1.055 -0.179 182 HA PHE 18 HA PHE 18 29.455 0.145 2.002 183 HB2 PHE 18 HB2 PHE 18 27.909 -1.259 0.309 184 HB3 PHE 18 HB1 PHE 18 29.397 -1.257 -0.630 185 HD1 PHE 18 HD1 PHE 18 28.257 -1.794 2.912 186 HD2 PHE 18 HD2 PHE 18 30.958 -2.898 -0.232 187 HE1 PHE 18 HE1 PHE 18 29.206 -3.570 4.357 188 HE2 PHE 18 HE2 PHE 18 31.909 -4.678 1.209 189 HZ PHE 18 HZ PHE 18 31.030 -5.019 3.506 190 H LYS 19 HN LYS 19 29.903 2.468 -0.104 191 HA LYS 19 HA LYS 19 32.703 1.703 -0.664 192 HB2 LYS 19 HB2 LYS 19 32.275 3.561 -2.563 193 HB3 LYS 19 HB1 LYS 19 31.991 1.839 -2.819 194 HG2 LYS 19 HG2 LYS 19 29.760 3.436 -1.639 195 HG3 LYS 19 HG1 LYS 19 30.104 3.660 -3.351 196 HD2 LYS 19 HD2 LYS 19 29.796 0.902 -2.136 197 HD3 LYS 19 HD1 LYS 19 28.414 1.800 -2.759 198 HE2 LYS 19 HE2 LYS 19 30.877 1.393 -4.444 199 HE3 LYS 19 HE1 LYS 19 29.628 0.152 -4.355 200 HZ1 LYS 19 HZ1 LYS 19 29.304 2.961 -5.232 201 HZ2 LYS 19 HZ2 LYS 19 28.009 1.894 -4.981 202 HZ3 LYS 19 HZ3 LYS 19 29.158 1.569 -6.183 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 3.093 1.399 -4.477 2 H3 PRO 1 HT2 PRO 1 1.492 1.879 -4.174 3 HA PRO 1 HA PRO 1 1.896 1.988 -2.028 4 HB2 PRO 1 HB2 PRO 1 3.116 -0.652 -1.645 5 HB3 PRO 1 HB1 PRO 1 1.592 -0.011 -1.003 6 HG2 PRO 1 HG2 PRO 1 1.732 -1.897 -2.967 7 HG3 PRO 1 HG1 PRO 1 0.378 -0.780 -2.752 8 HD2 PRO 1 HD2 PRO 1 2.528 -0.740 -4.810 9 HD3 PRO 1 HD1 PRO 1 0.866 -0.128 -4.901 10 H MET 2 HN MET 2 3.579 3.534 -2.248 11 HA MET 2 HA MET 2 6.267 3.002 -2.818 12 HB2 MET 2 HB2 MET 2 6.753 5.117 -1.615 13 HB3 MET 2 HB1 MET 2 5.407 5.280 -2.736 14 HG2 MET 2 HG2 MET 2 4.622 4.448 -0.013 15 HG3 MET 2 HG1 MET 2 5.334 6.062 -0.112 16 HE1 MET 2 HE1 MET 2 2.668 3.867 -0.299 17 HE2 MET 2 HE2 MET 2 1.316 4.587 -1.168 18 HE3 MET 2 HE3 MET 2 1.800 5.240 0.395 19 H ALA 3 HN ALA 3 4.428 2.051 -0.159 20 HA ALA 3 HA ALA 3 6.182 2.134 1.984 21 HB1 ALA 3 HB1 ALA 3 3.687 0.863 1.357 22 HB2 ALA 3 HB2 ALA 3 4.352 1.272 2.939 23 HB3 ALA 3 HB3 ALA 3 4.732 -0.282 2.197 24 H ARG 4 HN ARG 4 6.115 -0.124 -0.718 25 HA ARG 4 HA ARG 4 7.804 -2.058 0.538 26 HB2 ARG 4 HB2 ARG 4 8.221 -2.345 -2.189 27 HB3 ARG 4 HB1 ARG 4 7.025 -3.198 -1.216 28 HG2 ARG 4 HG2 ARG 4 5.413 -1.349 -1.630 29 HG3 ARG 4 HG1 ARG 4 6.602 -0.578 -2.679 30 HD2 ARG 4 HD2 ARG 4 6.346 -3.309 -3.496 31 HD3 ARG 4 HD1 ARG 4 4.728 -2.638 -3.340 32 HE ARG 4 HE ARG 4 5.195 -1.158 -5.096 33 HH11 ARG 4 HH11 ARG 4 6.418 -0.544 -6.897 34 HH12 ARG 4 HH12 ARG 4 8.038 -1.128 -7.085 35 HH21 ARG 4 HH21 ARG 4 8.001 -2.971 -4.140 36 HH22 ARG 4 HH22 ARG 4 8.938 -2.508 -5.523 37 H ASN 5 HN ASN 5 8.416 0.851 -1.334 38 HA ASN 5 HA ASN 5 11.104 0.367 -2.018 39 HB2 ASN 5 HB2 ASN 5 9.807 2.211 -2.990 40 HB3 ASN 5 HB1 ASN 5 9.767 3.020 -1.424 41 HD21 ASN 5 HD21 ASN 5 11.602 4.278 -0.843 42 HD22 ASN 5 HD22 ASN 5 13.023 4.346 -1.771 43 H LYS 6 HN LYS 6 9.707 1.971 0.832 44 HA LYS 6 HA LYS 6 12.103 2.705 2.073 45 HB2 LYS 6 HB2 LYS 6 9.407 1.969 3.204 46 HB3 LYS 6 HB1 LYS 6 10.746 2.492 4.228 47 HG2 LYS 6 HG2 LYS 6 9.917 4.116 1.824 48 HG3 LYS 6 HG1 LYS 6 9.071 4.296 3.363 49 HD2 LYS 6 HD2 LYS 6 11.613 4.463 4.254 50 HD3 LYS 6 HD1 LYS 6 11.852 5.065 2.616 51 HE2 LYS 6 HE2 LYS 6 10.048 6.190 4.768 52 HE3 LYS 6 HE1 LYS 6 11.351 7.002 3.898 53 HZ1 LYS 6 HZ1 LYS 6 9.433 7.760 2.859 54 HZ2 LYS 6 HZ2 LYS 6 8.670 6.245 2.919 55 HZ3 LYS 6 HZ3 LYS 6 9.947 6.513 1.832 56 H LYS 7 HN LYS 7 10.436 -0.383 1.984 57 HA LYS 7 HA LYS 7 12.028 -1.604 4.030 58 HB2 LYS 7 HB2 LYS 7 10.661 -3.270 1.966 59 HB3 LYS 7 HB1 LYS 7 10.743 -3.477 3.714 60 HG2 LYS 7 HG2 LYS 7 8.953 -1.652 2.125 61 HG3 LYS 7 HG1 LYS 7 8.513 -2.811 3.375 62 HD2 LYS 7 HD2 LYS 7 10.159 -1.116 4.772 63 HD3 LYS 7 HD1 LYS 7 9.368 -0.011 3.645 64 HE2 LYS 7 HE2 LYS 7 7.995 -1.925 5.543 65 HE3 LYS 7 HE1 LYS 7 7.978 -0.173 5.603 66 HZ1 LYS 7 HZ1 LYS 7 6.437 -1.947 3.961 67 HZ2 LYS 7 HZ2 LYS 7 7.142 -0.656 3.105 68 HZ3 LYS 7 HZ3 LYS 7 6.124 -0.350 4.425 69 H LEU 8 HN LEU 8 12.167 -1.511 0.489 70 HA LEU 8 HA LEU 8 14.426 -3.328 0.413 71 HB2 LEU 8 HB2 LEU 8 13.340 -1.586 -1.814 72 HB3 LEU 8 HB1 LEU 8 14.363 -3.010 -1.976 73 HG LEU 8 HG LEU 8 11.937 -3.574 -0.430 74 HD11 LEU 8 HD11 LEU 8 10.284 -3.161 -1.999 75 HD12 LEU 8 HD12 LEU 8 11.417 -3.103 -3.346 76 HD13 LEU 8 HD13 LEU 8 11.297 -1.739 -2.232 77 HD21 LEU 8 HD21 LEU 8 13.516 -5.243 -1.417 78 HD22 LEU 8 HD22 LEU 8 13.018 -4.710 -3.022 79 HD23 LEU 8 HD23 LEU 8 11.853 -5.481 -1.952 80 H LEU 9 HN LEU 9 13.864 0.144 -0.119 81 HA LEU 9 HA LEU 9 16.452 0.878 -0.869 82 HB2 LEU 9 HB2 LEU 9 14.253 2.275 -0.744 83 HB3 LEU 9 HB1 LEU 9 14.778 2.637 0.902 84 HG LEU 9 HG LEU 9 17.095 3.118 -0.381 85 HD11 LEU 9 HD11 LEU 9 16.760 4.091 -2.544 86 HD12 LEU 9 HD12 LEU 9 15.007 4.013 -2.383 87 HD13 LEU 9 HD13 LEU 9 15.939 2.530 -2.583 88 HD21 LEU 9 HD21 LEU 9 16.256 4.831 0.981 89 HD22 LEU 9 HD22 LEU 9 14.701 4.860 0.151 90 HD23 LEU 9 HD23 LEU 9 16.122 5.557 -0.622 91 H LYS 10 HN LYS 10 15.048 0.508 2.365 92 HA LYS 10 HA LYS 10 17.186 1.510 3.875 93 HB2 LYS 10 HB2 LYS 10 14.756 0.491 4.439 94 HB3 LYS 10 HB1 LYS 10 15.771 -0.864 4.917 95 HG2 LYS 10 HG2 LYS 10 17.117 0.697 6.309 96 HG3 LYS 10 HG1 LYS 10 15.989 1.992 5.892 97 HD2 LYS 10 HD2 LYS 10 15.305 -0.601 7.287 98 HD3 LYS 10 HD1 LYS 10 15.354 0.989 8.046 99 HE2 LYS 10 HE2 LYS 10 13.408 -0.068 5.994 100 HE3 LYS 10 HE1 LYS 10 13.055 0.638 7.574 101 HZ1 LYS 10 HZ1 LYS 10 14.153 2.723 6.593 102 HZ2 LYS 10 HZ2 LYS 10 12.584 2.341 6.086 103 HZ3 LYS 10 HZ3 LYS 10 13.909 1.986 5.089 104 H LYS 11 HN LYS 11 16.748 -1.561 2.271 105 HA LYS 11 HA LYS 11 19.010 -2.743 3.612 106 HB2 LYS 11 HB2 LYS 11 16.950 -3.720 1.657 107 HB3 LYS 11 HB1 LYS 11 18.426 -4.647 1.931 108 HG2 LYS 11 HG2 LYS 11 16.470 -5.320 3.398 109 HG3 LYS 11 HG1 LYS 11 17.937 -4.898 4.277 110 HD2 LYS 11 HD2 LYS 11 17.033 -2.959 5.140 111 HD3 LYS 11 HD1 LYS 11 15.992 -2.693 3.743 112 HE2 LYS 11 HE2 LYS 11 15.571 -4.844 5.831 113 HE3 LYS 11 HE1 LYS 11 14.695 -3.318 5.765 114 HZ1 LYS 11 HZ1 LYS 11 14.095 -3.987 3.411 115 HZ2 LYS 11 HZ2 LYS 11 13.342 -4.862 4.666 116 HZ3 LYS 11 HZ3 LYS 11 14.637 -5.545 3.816 117 H LEU 12 HN LEU 12 18.090 -1.838 0.300 118 HA LEU 12 HA LEU 12 20.590 -2.546 -0.864 119 HB2 LEU 12 HB2 LEU 12 18.516 -0.578 -1.851 120 HB3 LEU 12 HB1 LEU 12 19.790 -1.327 -2.820 121 HG LEU 12 HG LEU 12 17.935 -3.121 -1.288 122 HD11 LEU 12 HD11 LEU 12 16.447 -1.481 -2.401 123 HD12 LEU 12 HD12 LEU 12 16.316 -3.076 -3.141 124 HD13 LEU 12 HD13 LEU 12 17.248 -1.807 -3.936 125 HD21 LEU 12 HD21 LEU 12 18.299 -4.506 -3.356 126 HD22 LEU 12 HD22 LEU 12 19.793 -4.118 -2.503 127 HD23 LEU 12 HD23 LEU 12 19.358 -3.234 -3.966 128 H ARG 13 HN ARG 13 19.468 0.352 0.745 129 HA ARG 13 HA ARG 13 21.317 2.158 -0.348 130 HB2 ARG 13 HB2 ARG 13 20.778 3.631 1.452 131 HB3 ARG 13 HB1 ARG 13 19.308 2.796 0.966 132 HG2 ARG 13 HG2 ARG 13 19.100 2.395 3.199 133 HG3 ARG 13 HG1 ARG 13 20.241 1.092 2.879 134 HD2 ARG 13 HD2 ARG 13 20.985 2.501 4.769 135 HD3 ARG 13 HD1 ARG 13 22.121 2.565 3.435 136 HE ARG 13 HE ARG 13 20.224 4.677 3.203 137 HH11 ARG 13 HH11 ARG 13 20.923 6.768 3.680 138 HH12 ARG 13 HH12 ARG 13 22.340 7.014 4.649 139 HH21 ARG 13 HH21 ARG 13 22.997 3.629 5.026 140 HH22 ARG 13 HH22 ARG 13 23.513 5.235 5.416 141 H LEU 14 HN LEU 14 21.652 0.123 2.582 142 HA LEU 14 HA LEU 14 24.192 1.267 3.210 143 HB2 LEU 14 HB2 LEU 14 24.405 -0.665 4.781 144 HB3 LEU 14 HB1 LEU 14 22.930 0.277 4.986 145 HG LEU 14 HG LEU 14 22.401 -1.752 3.044 146 HD11 LEU 14 HD11 LEU 14 22.883 -3.776 4.267 147 HD12 LEU 14 HD12 LEU 14 23.502 -2.858 5.638 148 HD13 LEU 14 HD13 LEU 14 24.391 -2.875 4.115 149 HD21 LEU 14 HD21 LEU 14 20.595 -2.221 4.462 150 HD22 LEU 14 HD22 LEU 14 20.954 -0.539 4.844 151 HD23 LEU 14 HD23 LEU 14 21.507 -1.830 5.912 152 H LYS 15 HN LYS 15 23.185 -1.233 1.058 153 HA LYS 15 HA LYS 15 25.623 -2.682 0.947 154 HB2 LYS 15 HB2 LYS 15 23.178 -2.477 -0.711 155 HB3 LYS 15 HB1 LYS 15 24.630 -3.012 -1.551 156 HG2 LYS 15 HG2 LYS 15 23.314 -4.908 -0.573 157 HG3 LYS 15 HG1 LYS 15 24.957 -4.813 0.060 158 HD2 LYS 15 HD2 LYS 15 24.070 -3.556 2.036 159 HD3 LYS 15 HD1 LYS 15 22.442 -3.798 1.404 160 HE2 LYS 15 HE2 LYS 15 23.139 -5.483 3.144 161 HE3 LYS 15 HE1 LYS 15 22.633 -6.193 1.615 162 HZ1 LYS 15 HZ1 LYS 15 24.925 -6.782 2.851 163 HZ2 LYS 15 HZ2 LYS 15 25.454 -5.534 1.826 164 HZ3 LYS 15 HZ3 LYS 15 24.708 -6.912 1.176 165 H ILE 16 HN ILE 16 24.442 0.137 -0.874 166 HA ILE 16 HA ILE 16 26.986 0.254 -2.276 167 HB ILE 16 HB ILE 16 25.864 1.301 -3.897 168 HG12 ILE 16 HG12 ILE 16 25.852 3.417 -2.486 169 HG13 ILE 16 HG11 ILE 16 24.537 3.284 -3.649 170 HG21 ILE 16 HG21 ILE 16 23.536 0.827 -4.046 171 HG22 ILE 16 HG22 ILE 16 23.360 0.815 -2.294 172 HG23 ILE 16 HG23 ILE 16 24.251 -0.477 -3.099 173 HD11 ILE 16 HD11 ILE 16 24.348 3.586 -0.818 174 HD12 ILE 16 HD12 ILE 16 23.699 2.003 -1.240 175 HD13 ILE 16 HD13 ILE 16 23.040 3.454 -1.991 176 H ALA 17 HN ALA 17 25.471 1.550 0.488 177 HA ALA 17 HA ALA 17 27.317 3.846 0.595 178 HB1 ALA 17 HB1 ALA 17 25.913 4.582 2.514 179 HB2 ALA 17 HB2 ALA 17 24.889 3.173 2.267 180 HB3 ALA 17 HB3 ALA 17 24.993 4.414 1.020 181 H PHE 18 HN PHE 18 27.734 0.795 1.245 182 HA PHE 18 HA PHE 18 28.431 0.788 4.042 183 HB2 PHE 18 HB2 PHE 18 27.976 -1.194 2.216 184 HB3 PHE 18 HB1 PHE 18 29.736 -1.173 2.250 185 HD1 PHE 18 HD1 PHE 18 26.954 -0.809 4.770 186 HD2 PHE 18 HD2 PHE 18 30.688 -2.656 3.727 187 HE1 PHE 18 HE1 PHE 18 26.957 -2.030 6.936 188 HE2 PHE 18 HE2 PHE 18 30.686 -3.878 5.877 189 HZ PHE 18 HZ PHE 18 28.828 -3.566 7.490 190 H LYS 19 HN LYS 19 29.594 2.586 1.761 191 HA LYS 19 HA LYS 19 32.437 2.267 2.470 192 HB2 LYS 19 HB2 LYS 19 32.438 3.791 0.204 193 HB3 LYS 19 HB1 LYS 19 32.623 2.040 0.233 194 HG2 LYS 19 HG2 LYS 19 29.900 3.329 0.111 195 HG3 LYS 19 HG1 LYS 19 30.829 2.987 -1.346 196 HD2 LYS 19 HD2 LYS 19 30.807 0.685 0.442 197 HD3 LYS 19 HD1 LYS 19 29.166 1.185 0.032 198 HE2 LYS 19 HE2 LYS 19 31.395 0.617 -1.942 199 HE3 LYS 19 HE1 LYS 19 30.026 -0.443 -1.602 200 HZ1 LYS 19 HZ1 LYS 19 28.976 0.655 -3.215 201 HZ2 LYS 19 HZ2 LYS 19 30.163 1.865 -3.277 202 HZ3 LYS 19 HZ3 LYS 19 28.888 1.984 -2.157 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 2.936 1.130 -4.545 2 H3 PRO 1 HT2 PRO 1 1.484 1.953 -4.222 3 HA PRO 1 HA PRO 1 2.487 2.916 -2.514 4 HB2 PRO 1 HB2 PRO 1 3.160 0.573 -0.945 5 HB3 PRO 1 HB1 PRO 1 1.838 1.731 -0.697 6 HG2 PRO 1 HG2 PRO 1 1.513 -0.880 -1.502 7 HG3 PRO 1 HG1 PRO 1 0.338 0.417 -1.747 8 HD2 PRO 1 HD2 PRO 1 2.209 -0.822 -3.711 9 HD3 PRO 1 HD1 PRO 1 0.611 -0.096 -3.980 10 H MET 2 HN MET 2 4.397 3.705 -3.406 11 HA MET 2 HA MET 2 6.694 2.144 -3.950 12 HB2 MET 2 HB2 MET 2 7.857 4.467 -3.695 13 HB3 MET 2 HB1 MET 2 6.714 4.219 -5.014 14 HG2 MET 2 HG2 MET 2 5.659 5.205 -2.391 15 HG3 MET 2 HG1 MET 2 6.514 6.343 -3.433 16 HE1 MET 2 HE1 MET 2 2.763 5.323 -2.788 17 HE2 MET 2 HE2 MET 2 2.684 6.908 -3.550 18 HE3 MET 2 HE3 MET 2 3.919 6.580 -2.336 19 H ALA 3 HN ALA 3 5.291 3.126 -1.048 20 HA ALA 3 HA ALA 3 7.448 3.596 0.647 21 HB1 ALA 3 HB1 ALA 3 5.057 3.879 1.258 22 HB2 ALA 3 HB2 ALA 3 5.962 2.957 2.458 23 HB3 ALA 3 HB3 ALA 3 4.895 2.126 1.325 24 H ARG 4 HN ARG 4 6.111 0.556 -0.541 25 HA ARG 4 HA ARG 4 7.368 -1.216 1.215 26 HB2 ARG 4 HB2 ARG 4 7.160 -2.896 -0.560 27 HB3 ARG 4 HB1 ARG 4 5.694 -1.923 -0.451 28 HG2 ARG 4 HG2 ARG 4 6.750 -0.442 -2.282 29 HG3 ARG 4 HG1 ARG 4 7.877 -1.777 -2.527 30 HD2 ARG 4 HD2 ARG 4 5.789 -3.278 -2.713 31 HD3 ARG 4 HD1 ARG 4 4.875 -1.780 -2.889 32 HE ARG 4 HE ARG 4 6.568 -1.344 -4.809 33 HH11 ARG 4 HH11 ARG 4 6.858 -2.301 -6.823 34 HH12 ARG 4 HH12 ARG 4 6.411 -3.953 -7.083 35 HH21 ARG 4 HH21 ARG 4 5.272 -4.429 -3.846 36 HH22 ARG 4 HH22 ARG 4 5.517 -5.161 -5.396 37 H ASN 5 HN ASN 5 8.604 0.364 -1.697 38 HA ASN 5 HA ASN 5 11.063 -1.022 -1.853 39 HB2 ASN 5 HB2 ASN 5 10.611 0.216 -3.770 40 HB3 ASN 5 HB1 ASN 5 10.079 1.627 -2.859 41 HD21 ASN 5 HD21 ASN 5 13.111 -0.329 -3.173 42 HD22 ASN 5 HD22 ASN 5 14.133 1.026 -3.222 43 H LYS 6 HN LYS 6 10.092 1.923 -0.147 44 HA LYS 6 HA LYS 6 12.606 2.686 0.824 45 HB2 LYS 6 HB2 LYS 6 9.797 3.103 1.791 46 HB3 LYS 6 HB1 LYS 6 11.155 3.601 2.800 47 HG2 LYS 6 HG2 LYS 6 10.692 5.521 1.494 48 HG3 LYS 6 HG1 LYS 6 12.066 4.769 0.680 49 HD2 LYS 6 HD2 LYS 6 10.694 3.861 -1.035 50 HD3 LYS 6 HD1 LYS 6 9.216 4.159 -0.118 51 HE2 LYS 6 HE2 LYS 6 9.365 5.868 -1.821 52 HE3 LYS 6 HE1 LYS 6 9.710 6.627 -0.267 53 HZ1 LYS 6 HZ1 LYS 6 12.149 5.856 -0.991 54 HZ2 LYS 6 HZ2 LYS 6 11.509 7.380 -1.363 55 HZ3 LYS 6 HZ3 LYS 6 11.474 6.129 -2.519 56 H LYS 7 HN LYS 7 10.299 0.292 1.983 57 HA LYS 7 HA LYS 7 11.598 -0.224 4.467 58 HB2 LYS 7 HB2 LYS 7 9.956 -2.234 2.930 59 HB3 LYS 7 HB1 LYS 7 10.161 -2.097 4.672 60 HG2 LYS 7 HG2 LYS 7 8.575 -0.297 2.836 61 HG3 LYS 7 HG1 LYS 7 7.997 -1.214 4.222 62 HD2 LYS 7 HD2 LYS 7 9.986 1.071 4.427 63 HD3 LYS 7 HD1 LYS 7 8.249 1.256 4.654 64 HE2 LYS 7 HE2 LYS 7 8.341 -0.452 6.478 65 HE3 LYS 7 HE1 LYS 7 10.093 -0.511 6.291 66 HZ1 LYS 7 HZ1 LYS 7 8.427 1.748 7.200 67 HZ2 LYS 7 HZ2 LYS 7 10.013 1.987 6.643 68 HZ3 LYS 7 HZ3 LYS 7 9.722 1.005 8.000 69 H LEU 8 HN LEU 8 11.874 -1.602 1.217 70 HA LEU 8 HA LEU 8 13.785 -3.614 2.043 71 HB2 LEU 8 HB2 LEU 8 12.926 -2.620 -0.683 72 HB3 LEU 8 HB1 LEU 8 14.071 -3.938 -0.432 73 HG LEU 8 HG LEU 8 11.730 -4.373 1.203 74 HD11 LEU 8 HD11 LEU 8 10.794 -4.721 -1.534 75 HD12 LEU 8 HD12 LEU 8 11.071 -3.022 -1.154 76 HD13 LEU 8 HD13 LEU 8 9.979 -3.980 -0.158 77 HD21 LEU 8 HD21 LEU 8 11.685 -6.490 -0.135 78 HD22 LEU 8 HD22 LEU 8 13.273 -6.129 0.538 79 HD23 LEU 8 HD23 LEU 8 12.949 -5.822 -1.167 80 H LEU 9 HN LEU 9 13.842 -0.323 1.029 81 HA LEU 9 HA LEU 9 16.388 -0.061 -0.068 82 HB2 LEU 9 HB2 LEU 9 14.410 1.674 0.370 83 HB3 LEU 9 HB1 LEU 9 15.407 2.078 1.768 84 HG LEU 9 HG LEU 9 17.371 2.266 0.164 85 HD11 LEU 9 HD11 LEU 9 15.642 1.101 -1.636 86 HD12 LEU 9 HD12 LEU 9 17.103 1.981 -2.075 87 HD13 LEU 9 HD13 LEU 9 15.544 2.803 -2.093 88 HD21 LEU 9 HD21 LEU 9 14.978 4.105 0.068 89 HD22 LEU 9 HD22 LEU 9 16.478 4.494 -0.774 90 HD23 LEU 9 HD23 LEU 9 16.479 4.293 0.976 91 H LYS 10 HN LYS 10 15.464 -0.644 3.239 92 HA LYS 10 HA LYS 10 17.725 0.373 4.560 93 HB2 LYS 10 HB2 LYS 10 16.296 -2.173 5.328 94 HB3 LYS 10 HB1 LYS 10 17.105 -1.014 6.383 95 HG2 LYS 10 HG2 LYS 10 15.409 0.620 6.063 96 HG3 LYS 10 HG1 LYS 10 14.722 -0.247 4.687 97 HD2 LYS 10 HD2 LYS 10 13.407 -0.548 6.803 98 HD3 LYS 10 HD1 LYS 10 13.989 -2.059 6.110 99 HE2 LYS 10 HE2 LYS 10 14.373 -1.983 8.553 100 HE3 LYS 10 HE1 LYS 10 15.891 -2.069 7.662 101 HZ1 LYS 10 HZ1 LYS 10 16.511 -0.096 8.427 102 HZ2 LYS 10 HZ2 LYS 10 15.223 -0.193 9.524 103 HZ3 LYS 10 HZ3 LYS 10 15.024 0.621 8.049 104 H LYS 11 HN LYS 11 17.148 -2.651 2.855 105 HA LYS 11 HA LYS 11 19.656 -3.827 3.593 106 HB2 LYS 11 HB2 LYS 11 17.514 -4.552 1.591 107 HB3 LYS 11 HB1 LYS 11 19.018 -5.463 1.731 108 HG2 LYS 11 HG2 LYS 11 17.172 -6.449 3.086 109 HG3 LYS 11 HG1 LYS 11 18.553 -5.965 4.066 110 HD2 LYS 11 HD2 LYS 11 17.445 -4.114 4.965 111 HD3 LYS 11 HD1 LYS 11 16.295 -4.025 3.627 112 HE2 LYS 11 HE2 LYS 11 16.379 -6.139 5.800 113 HE3 LYS 11 HE1 LYS 11 15.160 -4.877 5.600 114 HZ1 LYS 11 HZ1 LYS 11 14.798 -5.873 3.312 115 HZ2 LYS 11 HZ2 LYS 11 14.239 -6.777 4.631 116 HZ3 LYS 11 HZ3 LYS 11 15.684 -7.209 3.855 117 H LEU 12 HN LEU 12 18.305 -2.137 0.831 118 HA LEU 12 HA LEU 12 20.611 -2.434 -0.836 119 HB2 LEU 12 HB2 LEU 12 18.454 -0.330 -1.068 120 HB3 LEU 12 HB1 LEU 12 19.497 -0.952 -2.349 121 HG LEU 12 HG LEU 12 17.396 -2.540 -0.836 122 HD11 LEU 12 HD11 LEU 12 16.093 -1.455 -2.365 123 HD12 LEU 12 HD12 LEU 12 16.727 -2.688 -3.456 124 HD13 LEU 12 HD13 LEU 12 17.453 -1.081 -3.422 125 HD21 LEU 12 HD21 LEU 12 19.561 -3.301 -2.769 126 HD22 LEU 12 HD22 LEU 12 18.016 -4.146 -2.853 127 HD23 LEU 12 HD23 LEU 12 18.954 -4.179 -1.362 128 H ARG 13 HN ARG 13 19.635 -0.148 1.639 129 HA ARG 13 HA ARG 13 21.186 2.042 0.846 130 HB2 ARG 13 HB2 ARG 13 20.820 2.948 2.976 131 HB3 ARG 13 HB1 ARG 13 19.434 1.888 2.750 132 HG2 ARG 13 HG2 ARG 13 20.022 1.105 4.805 133 HG3 ARG 13 HG1 ARG 13 21.204 0.161 3.914 134 HD2 ARG 13 HD2 ARG 13 22.575 1.204 5.491 135 HD3 ARG 13 HD1 ARG 13 22.682 2.335 4.142 136 HE ARG 13 HE ARG 13 20.555 2.850 6.077 137 HH11 ARG 13 HH11 ARG 13 20.681 4.859 7.105 138 HH12 ARG 13 HH12 ARG 13 22.124 5.812 6.989 139 HH21 ARG 13 HH21 ARG 13 23.832 3.481 5.069 140 HH22 ARG 13 HH22 ARG 13 23.898 5.033 5.832 141 H LEU 14 HN LEU 14 22.095 -0.797 2.799 142 HA LEU 14 HA LEU 14 24.701 0.132 3.414 143 HB2 LEU 14 HB2 LEU 14 23.903 -2.759 3.053 144 HB3 LEU 14 HB1 LEU 14 25.189 -2.115 4.072 145 HG LEU 14 HG LEU 14 22.731 -0.830 4.802 146 HD11 LEU 14 HD11 LEU 14 22.623 -3.831 4.479 147 HD12 LEU 14 HD12 LEU 14 21.453 -2.628 3.939 148 HD13 LEU 14 HD13 LEU 14 21.620 -2.984 5.655 149 HD21 LEU 14 HD21 LEU 14 24.308 -2.967 6.264 150 HD22 LEU 14 HD22 LEU 14 23.280 -1.727 6.982 151 HD23 LEU 14 HD23 LEU 14 24.789 -1.269 6.194 152 H LYS 15 HN LYS 15 23.262 -1.012 0.532 153 HA LYS 15 HA LYS 15 25.782 -1.852 -0.671 154 HB2 LYS 15 HB2 LYS 15 23.126 -1.518 -2.058 155 HB3 LYS 15 HB1 LYS 15 24.491 -2.512 -2.557 156 HG2 LYS 15 HG2 LYS 15 22.981 -2.974 0.038 157 HG3 LYS 15 HG1 LYS 15 22.576 -3.793 -1.470 158 HD2 LYS 15 HD2 LYS 15 24.136 -5.331 -0.971 159 HD3 LYS 15 HD1 LYS 15 25.362 -4.086 -1.215 160 HE2 LYS 15 HE2 LYS 15 25.322 -3.479 1.110 161 HE3 LYS 15 HE1 LYS 15 23.910 -4.496 1.412 162 HZ1 LYS 15 HZ1 LYS 15 25.661 -6.229 0.325 163 HZ2 LYS 15 HZ2 LYS 15 25.421 -6.014 1.989 164 HZ3 LYS 15 HZ3 LYS 15 26.698 -5.215 1.203 165 H ILE 16 HN ILE 16 23.472 0.841 -1.030 166 HA ILE 16 HA ILE 16 25.245 2.081 -2.983 167 HB ILE 16 HB ILE 16 23.360 2.901 -3.849 168 HG12 ILE 16 HG12 ILE 16 23.613 4.780 -2.172 169 HG13 ILE 16 HG11 ILE 16 21.968 4.507 -2.734 170 HG21 ILE 16 HG21 ILE 16 22.451 0.744 -2.855 171 HG22 ILE 16 HG22 ILE 16 21.257 1.985 -3.231 172 HG23 ILE 16 HG23 ILE 16 21.773 1.738 -1.567 173 HD11 ILE 16 HD11 ILE 16 22.812 4.569 -0.071 174 HD12 ILE 16 HD12 ILE 16 22.563 2.857 -0.415 175 HD13 ILE 16 HD13 ILE 16 21.250 4.005 -0.664 176 H ALA 17 HN ALA 17 24.443 2.229 0.344 177 HA ALA 17 HA ALA 17 25.749 4.855 0.641 178 HB1 ALA 17 HB1 ALA 17 23.442 4.094 1.761 179 HB2 ALA 17 HB2 ALA 17 24.568 5.169 2.585 180 HB3 ALA 17 HB3 ALA 17 24.546 3.452 2.977 181 H PHE 18 HN PHE 18 26.939 2.016 0.229 182 HA PHE 18 HA PHE 18 28.283 1.311 2.615 183 HB2 PHE 18 HB2 PHE 18 27.977 -0.029 0.396 184 HB3 PHE 18 HB1 PHE 18 29.411 0.847 -0.135 185 HD1 PHE 18 HD1 PHE 18 28.146 -1.862 1.931 186 HD2 PHE 18 HD2 PHE 18 31.539 0.679 1.234 187 HE1 PHE 18 HE1 PHE 18 29.574 -3.425 3.210 188 HE2 PHE 18 HE2 PHE 18 32.969 -0.890 2.522 189 HZ PHE 18 HZ PHE 18 31.980 -2.945 3.511 190 H LYS 19 HN LYS 19 28.633 3.827 0.363 191 HA LYS 19 HA LYS 19 31.102 4.697 1.668 192 HB2 LYS 19 HB2 LYS 19 31.942 5.371 -0.642 193 HB3 LYS 19 HB1 LYS 19 31.931 3.649 -0.267 194 HG2 LYS 19 HG2 LYS 19 31.055 3.876 -2.476 195 HG3 LYS 19 HG1 LYS 19 29.715 3.470 -1.416 196 HD2 LYS 19 HD2 LYS 19 30.028 6.334 -1.516 197 HD3 LYS 19 HD1 LYS 19 29.918 5.686 -3.147 198 HE2 LYS 19 HE2 LYS 19 28.006 4.672 -1.072 199 HE3 LYS 19 HE1 LYS 19 27.717 6.255 -1.793 200 HZ1 LYS 19 HZ1 LYS 19 28.193 3.805 -3.394 201 HZ2 LYS 19 HZ2 LYS 19 27.621 5.312 -3.944 202 HZ3 LYS 19 HZ3 LYS 19 26.645 4.343 -2.952 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 2.569 2.674 -3.477 2 H3 PRO 1 HT2 PRO 1 1.609 4.025 -3.103 3 HA PRO 1 HA PRO 1 2.629 4.325 -1.179 4 HB2 PRO 1 HB2 PRO 1 2.666 1.480 -0.334 5 HB3 PRO 1 HB1 PRO 1 2.023 2.905 0.506 6 HG2 PRO 1 HG2 PRO 1 0.427 1.093 -0.672 7 HG3 PRO 1 HG1 PRO 1 0.017 2.811 -0.579 8 HD2 PRO 1 HD2 PRO 1 0.962 1.231 -2.935 9 HD3 PRO 1 HD1 PRO 1 -0.111 2.644 -2.886 10 H MET 2 HN MET 2 4.580 4.831 -2.243 11 HA MET 2 HA MET 2 6.507 3.011 -3.142 12 HB2 MET 2 HB2 MET 2 8.063 5.078 -2.318 13 HB3 MET 2 HB1 MET 2 7.155 5.081 -3.829 14 HG2 MET 2 HG2 MET 2 5.831 6.018 -1.294 15 HG3 MET 2 HG1 MET 2 6.903 7.105 -2.177 16 HE1 MET 2 HE1 MET 2 4.185 7.408 -1.322 17 HE2 MET 2 HE2 MET 2 2.933 6.481 -2.139 18 HE3 MET 2 HE3 MET 2 3.276 8.128 -2.654 19 H ALA 3 HN ALA 3 5.451 3.660 0.011 20 HA ALA 3 HA ALA 3 7.736 3.377 1.570 21 HB1 ALA 3 HB1 ALA 3 6.189 2.467 3.309 22 HB2 ALA 3 HB2 ALA 3 4.919 2.391 2.087 23 HB3 ALA 3 HB3 ALA 3 5.597 3.949 2.560 24 H ARG 4 HN ARG 4 5.951 0.994 -0.266 25 HA ARG 4 HA ARG 4 6.850 -1.365 0.969 26 HB2 ARG 4 HB2 ARG 4 6.374 -2.459 -1.185 27 HB3 ARG 4 HB1 ARG 4 5.088 -1.326 -0.765 28 HG2 ARG 4 HG2 ARG 4 6.420 0.397 -2.158 29 HG3 ARG 4 HG1 ARG 4 7.292 -0.998 -2.796 30 HD2 ARG 4 HD2 ARG 4 5.349 -1.919 -3.762 31 HD3 ARG 4 HD1 ARG 4 4.279 -0.904 -2.793 32 HE ARG 4 HE ARG 4 6.042 0.584 -4.551 33 HH11 ARG 4 HH11 ARG 4 4.976 1.809 -6.155 34 HH12 ARG 4 HH12 ARG 4 3.316 1.473 -6.522 35 HH21 ARG 4 HH21 ARG 4 3.054 -1.113 -4.235 36 HH22 ARG 4 HH22 ARG 4 2.225 -0.180 -5.433 37 H ASN 5 HN ASN 5 8.356 0.789 -1.343 38 HA ASN 5 HA ASN 5 10.583 -0.895 -1.941 39 HB2 ASN 5 HB2 ASN 5 9.602 1.634 -2.816 40 HB3 ASN 5 HB1 ASN 5 11.280 1.838 -2.319 41 HD21 ASN 5 HD21 ASN 5 12.286 1.880 -4.401 42 HD22 ASN 5 HD22 ASN 5 12.195 0.589 -5.501 43 H LYS 6 HN LYS 6 9.919 1.551 0.482 44 HA LYS 6 HA LYS 6 12.492 2.109 1.388 45 HB2 LYS 6 HB2 LYS 6 9.776 2.359 2.435 46 HB3 LYS 6 HB1 LYS 6 10.959 2.057 3.704 47 HG2 LYS 6 HG2 LYS 6 10.795 4.459 3.377 48 HG3 LYS 6 HG1 LYS 6 12.360 3.920 2.766 49 HD2 LYS 6 HD2 LYS 6 11.591 3.981 0.495 50 HD3 LYS 6 HD1 LYS 6 9.920 4.242 0.998 51 HE2 LYS 6 HE2 LYS 6 11.446 6.278 0.219 52 HE3 LYS 6 HE1 LYS 6 10.288 6.470 1.535 53 HZ1 LYS 6 HZ1 LYS 6 13.058 5.603 2.079 54 HZ2 LYS 6 HZ2 LYS 6 11.946 6.343 3.125 55 HZ3 LYS 6 HZ3 LYS 6 12.688 7.245 1.895 56 H LYS 7 HN LYS 7 10.464 -0.692 1.958 57 HA LYS 7 HA LYS 7 11.855 -1.829 4.135 58 HB2 LYS 7 HB2 LYS 7 10.240 -3.019 1.875 59 HB3 LYS 7 HB1 LYS 7 11.005 -4.032 3.092 60 HG2 LYS 7 HG2 LYS 7 8.594 -3.418 3.573 61 HG3 LYS 7 HG1 LYS 7 9.719 -3.037 4.863 62 HD2 LYS 7 HD2 LYS 7 9.728 -0.726 4.329 63 HD3 LYS 7 HD1 LYS 7 8.940 -1.009 2.777 64 HE2 LYS 7 HE2 LYS 7 7.536 -0.189 4.867 65 HE3 LYS 7 HE1 LYS 7 6.871 -1.354 3.730 66 HZ1 LYS 7 HZ1 LYS 7 6.649 -1.958 6.127 67 HZ2 LYS 7 HZ2 LYS 7 8.331 -2.162 6.168 68 HZ3 LYS 7 HZ3 LYS 7 7.378 -3.135 5.153 69 H LEU 8 HN LEU 8 12.332 -2.042 0.633 70 HA LEU 8 HA LEU 8 14.660 -3.764 0.912 71 HB2 LEU 8 HB2 LEU 8 13.692 -2.387 -1.604 72 HB3 LEU 8 HB1 LEU 8 14.706 -3.825 -1.475 73 HG LEU 8 HG LEU 8 12.462 -4.556 -0.028 74 HD11 LEU 8 HD11 LEU 8 10.579 -4.025 -1.627 75 HD12 LEU 8 HD12 LEU 8 11.639 -2.845 -2.394 76 HD13 LEU 8 HD13 LEU 8 11.162 -2.637 -0.709 77 HD21 LEU 8 HD21 LEU 8 13.780 -5.815 -1.783 78 HD22 LEU 8 HD22 LEU 8 12.838 -4.968 -3.010 79 HD23 LEU 8 HD23 LEU 8 12.037 -6.051 -1.870 80 H LEU 9 HN LEU 9 13.912 -0.423 -0.018 81 HA LEU 9 HA LEU 9 16.458 0.413 -0.775 82 HB2 LEU 9 HB2 LEU 9 13.978 1.714 0.120 83 HB3 LEU 9 HB1 LEU 9 15.438 2.636 0.483 84 HG LEU 9 HG LEU 9 14.876 1.460 -2.253 85 HD11 LEU 9 HD11 LEU 9 14.078 4.104 -1.047 86 HD12 LEU 9 HD12 LEU 9 13.115 2.996 -2.029 87 HD13 LEU 9 HD13 LEU 9 14.392 3.956 -2.778 88 HD21 LEU 9 HD21 LEU 9 17.204 1.981 -1.902 89 HD22 LEU 9 HD22 LEU 9 16.802 3.534 -1.169 90 HD23 LEU 9 HD23 LEU 9 16.524 3.272 -2.890 91 H LYS 10 HN LYS 10 15.010 0.283 2.476 92 HA LYS 10 HA LYS 10 17.095 1.550 3.870 93 HB2 LYS 10 HB2 LYS 10 15.095 -0.564 4.659 94 HB3 LYS 10 HB1 LYS 10 16.276 0.074 5.804 95 HG2 LYS 10 HG2 LYS 10 15.123 2.312 4.483 96 HG3 LYS 10 HG1 LYS 10 13.792 1.251 4.944 97 HD2 LYS 10 HD2 LYS 10 15.991 1.882 6.900 98 HD3 LYS 10 HD1 LYS 10 14.637 2.991 6.679 99 HE2 LYS 10 HE2 LYS 10 13.198 0.782 6.951 100 HE3 LYS 10 HE1 LYS 10 14.647 0.200 7.776 101 HZ1 LYS 10 HZ1 LYS 10 14.509 2.396 9.041 102 HZ2 LYS 10 HZ2 LYS 10 13.417 1.179 9.456 103 HZ3 LYS 10 HZ3 LYS 10 12.912 2.482 8.486 104 H LYS 11 HN LYS 11 16.770 -1.702 2.621 105 HA LYS 11 HA LYS 11 19.144 -2.613 4.006 106 HB2 LYS 11 HB2 LYS 11 17.121 -3.951 2.216 107 HB3 LYS 11 HB1 LYS 11 18.631 -4.749 2.653 108 HG2 LYS 11 HG2 LYS 11 16.651 -5.276 4.165 109 HG3 LYS 11 HG1 LYS 11 18.094 -4.692 4.991 110 HD2 LYS 11 HD2 LYS 11 17.153 -2.623 5.480 111 HD3 LYS 11 HD1 LYS 11 16.042 -2.687 4.111 112 HE2 LYS 11 HE2 LYS 11 15.814 -4.481 6.541 113 HE3 LYS 11 HE1 LYS 11 14.914 -2.975 6.326 114 HZ1 LYS 11 HZ1 LYS 11 13.543 -4.733 5.569 115 HZ2 LYS 11 HZ2 LYS 11 14.786 -5.412 4.642 116 HZ3 LYS 11 HZ3 LYS 11 14.098 -3.919 4.184 117 H LEU 12 HN LEU 12 18.062 -1.783 0.766 118 HA LEU 12 HA LEU 12 20.455 -2.608 -0.560 119 HB2 LEU 12 HB2 LEU 12 18.240 -0.723 -1.373 120 HB3 LEU 12 HB1 LEU 12 19.549 -1.223 -2.444 121 HG LEU 12 HG LEU 12 17.836 -3.258 -1.007 122 HD11 LEU 12 HD11 LEU 12 16.293 -1.839 -2.282 123 HD12 LEU 12 HD12 LEU 12 16.479 -3.398 -3.086 124 HD13 LEU 12 HD13 LEU 12 17.322 -1.979 -3.706 125 HD21 LEU 12 HD21 LEU 12 20.022 -3.276 -2.929 126 HD22 LEU 12 HD22 LEU 12 18.608 -4.123 -3.558 127 HD23 LEU 12 HD23 LEU 12 19.325 -4.618 -2.021 128 H ARG 13 HN ARG 13 19.461 0.338 1.061 129 HA ARG 13 HA ARG 13 21.304 2.083 -0.134 130 HB2 ARG 13 HB2 ARG 13 20.899 3.576 1.687 131 HB3 ARG 13 HB1 ARG 13 19.381 2.780 1.285 132 HG2 ARG 13 HG2 ARG 13 19.249 2.332 3.504 133 HG3 ARG 13 HG1 ARG 13 20.440 1.076 3.182 134 HD2 ARG 13 HD2 ARG 13 21.296 2.397 4.980 135 HD3 ARG 13 HD1 ARG 13 22.241 2.814 3.559 136 HE ARG 13 HE ARG 13 20.338 4.703 3.475 137 HH11 ARG 13 HH11 ARG 13 20.364 6.664 4.640 138 HH12 ARG 13 HH12 ARG 13 21.195 6.760 6.156 139 HH21 ARG 13 HH21 ARG 13 22.221 3.437 6.099 140 HH22 ARG 13 HH22 ARG 13 22.250 4.924 6.987 141 H LEU 14 HN LEU 14 21.675 -0.030 2.719 142 HA LEU 14 HA LEU 14 24.235 0.938 3.430 143 HB2 LEU 14 HB2 LEU 14 23.397 -1.932 3.820 144 HB3 LEU 14 HB1 LEU 14 24.465 -0.956 4.822 145 HG LEU 14 HG LEU 14 22.053 0.466 4.754 146 HD11 LEU 14 HD11 LEU 14 20.548 -1.390 5.702 147 HD12 LEU 14 HD12 LEU 14 21.654 -2.518 4.918 148 HD13 LEU 14 HD13 LEU 14 20.760 -1.340 3.953 149 HD21 LEU 14 HD21 LEU 14 21.918 -0.537 7.158 150 HD22 LEU 14 HD22 LEU 14 23.306 0.466 6.740 151 HD23 LEU 14 HD23 LEU 14 23.461 -1.290 6.755 152 H LYS 15 HN LYS 15 23.179 -0.939 0.779 153 HA LYS 15 HA LYS 15 25.699 -2.291 0.364 154 HB2 LYS 15 HB2 LYS 15 23.522 -1.937 -1.696 155 HB3 LYS 15 HB1 LYS 15 24.719 -3.230 -1.578 156 HG2 LYS 15 HG2 LYS 15 22.582 -2.720 0.521 157 HG3 LYS 15 HG1 LYS 15 22.395 -3.869 -0.799 158 HD2 LYS 15 HD2 LYS 15 23.658 -5.424 0.253 159 HD3 LYS 15 HD1 LYS 15 24.937 -4.254 0.574 160 HE2 LYS 15 HE2 LYS 15 24.028 -5.097 2.694 161 HE3 LYS 15 HE1 LYS 15 23.636 -3.391 2.512 162 HZ1 LYS 15 HZ1 LYS 15 21.793 -4.989 3.217 163 HZ2 LYS 15 HZ2 LYS 15 21.770 -5.481 1.593 164 HZ3 LYS 15 HZ3 LYS 15 21.436 -3.862 1.998 165 H ILE 16 HN ILE 16 24.036 0.546 -0.987 166 HA ILE 16 HA ILE 16 26.298 1.084 -2.727 167 HB ILE 16 HB ILE 16 24.791 2.131 -3.990 168 HG12 ILE 16 HG12 ILE 16 25.189 4.137 -2.453 169 HG13 ILE 16 HG11 ILE 16 23.685 4.134 -3.363 170 HG21 ILE 16 HG21 ILE 16 22.740 1.514 -1.855 171 HG22 ILE 16 HG22 ILE 16 23.301 0.369 -3.076 172 HG23 ILE 16 HG23 ILE 16 22.434 1.824 -3.562 173 HD11 ILE 16 HD11 ILE 16 24.038 4.215 -0.514 174 HD12 ILE 16 HD12 ILE 16 23.171 2.743 -0.941 175 HD13 ILE 16 HD13 ILE 16 22.540 4.310 -1.437 176 H ALA 17 HN ALA 17 24.948 2.078 0.297 177 HA ALA 17 HA ALA 17 26.587 4.464 0.529 178 HB1 ALA 17 HB1 ALA 17 24.388 4.341 1.653 179 HB2 ALA 17 HB2 ALA 17 25.691 4.595 2.815 180 HB3 ALA 17 HB3 ALA 17 24.972 2.995 2.633 181 H PHE 18 HN PHE 18 27.548 1.493 0.286 182 HA PHE 18 HA PHE 18 29.123 1.112 2.685 183 HB2 PHE 18 HB2 PHE 18 28.266 -0.512 0.530 184 HB3 PHE 18 HB1 PHE 18 30.023 -0.464 0.440 185 HD1 PHE 18 HD1 PHE 18 27.485 -2.394 1.684 186 HD2 PHE 18 HD2 PHE 18 31.042 -0.412 3.039 187 HE1 PHE 18 HE1 PHE 18 27.660 -4.003 3.569 188 HE2 PHE 18 HE2 PHE 18 31.218 -2.011 4.921 189 HZ PHE 18 HZ PHE 18 29.530 -3.809 5.188 190 H LYS 19 HN LYS 19 29.414 2.905 -0.160 191 HA LYS 19 HA LYS 19 32.274 3.354 0.366 192 HB2 LYS 19 HB2 LYS 19 32.678 3.407 -2.093 193 HB3 LYS 19 HB1 LYS 19 32.217 1.812 -1.502 194 HG2 LYS 19 HG2 LYS 19 30.033 3.641 -2.409 195 HG3 LYS 19 HG1 LYS 19 31.046 2.898 -3.644 196 HD2 LYS 19 HD2 LYS 19 29.833 1.237 -1.432 197 HD3 LYS 19 HD1 LYS 19 28.915 1.612 -2.891 198 HE2 LYS 19 HE2 LYS 19 31.614 0.231 -2.785 199 HE3 LYS 19 HE1 LYS 19 30.067 -0.533 -3.155 200 HZ1 LYS 19 HZ1 LYS 19 30.296 0.071 -5.255 201 HZ2 LYS 19 HZ2 LYS 19 31.807 0.759 -4.906 202 HZ3 LYS 19 HZ3 LYS 19 30.399 1.702 -4.819 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 3.704 1.901 -5.065 2 H3 PRO 1 HT2 PRO 1 2.893 3.385 -4.828 3 HA PRO 1 HA PRO 1 2.691 3.107 -2.611 4 HB2 PRO 1 HB2 PRO 1 3.054 0.145 -2.649 5 HB3 PRO 1 HB1 PRO 1 1.923 1.141 -1.706 6 HG2 PRO 1 HG2 PRO 1 1.314 -0.241 -4.038 7 HG3 PRO 1 HG1 PRO 1 0.350 1.050 -3.305 8 HD2 PRO 1 HD2 PRO 1 1.741 1.142 -5.821 9 HD3 PRO 1 HD1 PRO 1 0.868 2.466 -5.025 10 H MET 2 HN MET 2 4.796 4.134 -3.071 11 HA MET 2 HA MET 2 7.241 2.827 -3.314 12 HB2 MET 2 HB2 MET 2 8.239 4.885 -2.442 13 HB3 MET 2 HB1 MET 2 6.947 5.253 -3.582 14 HG2 MET 2 HG2 MET 2 6.486 5.136 -0.593 15 HG3 MET 2 HG1 MET 2 6.947 6.618 -1.423 16 HE1 MET 2 HE1 MET 2 4.680 4.802 0.103 17 HE2 MET 2 HE2 MET 2 3.206 4.527 -0.813 18 HE3 MET 2 HE3 MET 2 3.444 6.067 0.004 19 H ALA 3 HN ALA 3 5.113 2.759 -0.675 20 HA ALA 3 HA ALA 3 6.775 2.760 1.548 21 HB1 ALA 3 HB1 ALA 3 5.042 1.038 2.442 22 HB2 ALA 3 HB2 ALA 3 4.210 1.332 0.913 23 HB3 ALA 3 HB3 ALA 3 4.489 2.664 2.036 24 H ARG 4 HN ARG 4 6.003 0.055 -0.651 25 HA ARG 4 HA ARG 4 7.393 -1.948 0.754 26 HB2 ARG 4 HB2 ARG 4 7.533 -3.114 -1.424 27 HB3 ARG 4 HB1 ARG 4 5.913 -2.491 -1.105 28 HG2 ARG 4 HG2 ARG 4 6.907 -0.352 -2.389 29 HG3 ARG 4 HG1 ARG 4 7.934 -1.589 -3.114 30 HD2 ARG 4 HD2 ARG 4 5.794 -2.906 -3.584 31 HD3 ARG 4 HD1 ARG 4 4.907 -1.451 -3.139 32 HE ARG 4 HE ARG 4 5.541 -0.496 -5.166 33 HH11 ARG 4 HH11 ARG 4 6.476 -0.610 -7.229 34 HH12 ARG 4 HH12 ARG 4 7.626 -1.850 -7.599 35 HH21 ARG 4 HH21 ARG 4 7.497 -3.288 -4.437 36 HH22 ARG 4 HH22 ARG 4 8.209 -3.368 -6.016 37 H ASN 5 HN ASN 5 8.483 0.413 -1.632 38 HA ASN 5 HA ASN 5 11.109 -0.553 -1.992 39 HB2 ASN 5 HB2 ASN 5 10.103 1.104 -3.488 40 HB3 ASN 5 HB1 ASN 5 10.064 2.281 -2.179 41 HD21 ASN 5 HD21 ASN 5 11.599 3.794 -3.044 42 HD22 ASN 5 HD22 ASN 5 13.219 3.389 -3.352 43 H LYS 6 HN LYS 6 9.699 1.644 0.368 44 HA LYS 6 HA LYS 6 12.044 2.594 1.572 45 HB2 LYS 6 HB2 LYS 6 9.272 2.100 2.660 46 HB3 LYS 6 HB1 LYS 6 10.554 2.802 3.644 47 HG2 LYS 6 HG2 LYS 6 10.290 4.054 0.993 48 HG3 LYS 6 HG1 LYS 6 8.858 4.232 2.002 49 HD2 LYS 6 HD2 LYS 6 11.455 4.702 3.360 50 HD3 LYS 6 HD1 LYS 6 10.986 5.893 2.147 51 HE2 LYS 6 HE2 LYS 6 8.803 5.077 3.964 52 HE3 LYS 6 HE1 LYS 6 10.126 5.944 4.746 53 HZ1 LYS 6 HZ1 LYS 6 9.888 7.731 3.204 54 HZ2 LYS 6 HZ2 LYS 6 8.353 7.405 3.847 55 HZ3 LYS 6 HZ3 LYS 6 8.751 6.874 2.285 56 H LYS 7 HN LYS 7 10.339 -0.431 1.929 57 HA LYS 7 HA LYS 7 11.790 -1.280 4.248 58 HB2 LYS 7 HB2 LYS 7 10.515 -3.205 2.331 59 HB3 LYS 7 HB1 LYS 7 10.588 -3.270 4.090 60 HG2 LYS 7 HG2 LYS 7 8.733 -1.702 2.327 61 HG3 LYS 7 HG1 LYS 7 8.367 -2.634 3.771 62 HD2 LYS 7 HD2 LYS 7 9.985 -0.692 4.814 63 HD3 LYS 7 HD1 LYS 7 9.213 0.195 3.508 64 HE2 LYS 7 HE2 LYS 7 8.018 0.240 5.766 65 HE3 LYS 7 HE1 LYS 7 7.037 -0.204 4.368 66 HZ1 LYS 7 HZ1 LYS 7 6.871 -2.344 5.056 67 HZ2 LYS 7 HZ2 LYS 7 7.064 -1.623 6.574 68 HZ3 LYS 7 HZ3 LYS 7 8.388 -2.359 5.811 69 H LEU 8 HN LEU 8 12.113 -1.810 0.755 70 HA LEU 8 HA LEU 8 14.404 -3.547 1.074 71 HB2 LEU 8 HB2 LEU 8 13.345 -2.154 -1.396 72 HB3 LEU 8 HB1 LEU 8 14.547 -3.442 -1.370 73 HG LEU 8 HG LEU 8 12.171 -4.194 0.139 74 HD11 LEU 8 HD11 LEU 8 11.782 -3.685 -2.823 75 HD12 LEU 8 HD12 LEU 8 11.136 -2.639 -1.561 76 HD13 LEU 8 HD13 LEU 8 10.591 -4.308 -1.685 77 HD21 LEU 8 HD21 LEU 8 12.399 -6.206 -1.154 78 HD22 LEU 8 HD22 LEU 8 14.035 -5.646 -0.809 79 HD23 LEU 8 HD23 LEU 8 13.328 -5.377 -2.403 80 H LEU 9 HN LEU 9 13.813 -0.150 0.339 81 HA LEU 9 HA LEU 9 16.351 0.617 -0.525 82 HB2 LEU 9 HB2 LEU 9 14.218 2.016 -0.461 83 HB3 LEU 9 HB1 LEU 9 14.575 2.309 1.239 84 HG LEU 9 HG LEU 9 16.802 3.223 0.590 85 HD11 LEU 9 HD11 LEU 9 15.751 2.576 -2.168 86 HD12 LEU 9 HD12 LEU 9 17.307 2.149 -1.459 87 HD13 LEU 9 HD13 LEU 9 16.980 3.817 -1.925 88 HD21 LEU 9 HD21 LEU 9 14.684 4.646 0.781 89 HD22 LEU 9 HD22 LEU 9 14.601 4.594 -0.975 90 HD23 LEU 9 HD23 LEU 9 15.984 5.342 -0.181 91 H LYS 10 HN LYS 10 15.070 0.428 2.804 92 HA LYS 10 HA LYS 10 17.306 1.462 4.137 93 HB2 LYS 10 HB2 LYS 10 15.261 -0.606 4.967 94 HB3 LYS 10 HB1 LYS 10 16.450 0.089 6.068 95 HG2 LYS 10 HG2 LYS 10 14.932 2.068 4.471 96 HG3 LYS 10 HG1 LYS 10 13.964 1.148 5.626 97 HD2 LYS 10 HD2 LYS 10 16.525 2.635 6.292 98 HD3 LYS 10 HD1 LYS 10 14.893 3.212 6.641 99 HE2 LYS 10 HE2 LYS 10 14.680 0.811 7.775 100 HE3 LYS 10 HE1 LYS 10 16.434 0.980 7.899 101 HZ1 LYS 10 HZ1 LYS 10 14.396 2.275 9.405 102 HZ2 LYS 10 HZ2 LYS 10 15.395 3.420 8.649 103 HZ3 LYS 10 HZ3 LYS 10 16.069 2.252 9.676 104 H LYS 11 HN LYS 11 16.706 -1.643 2.707 105 HA LYS 11 HA LYS 11 18.999 -2.866 3.970 106 HB2 LYS 11 HB2 LYS 11 16.840 -3.835 2.105 107 HB3 LYS 11 HB1 LYS 11 18.286 -4.799 2.397 108 HG2 LYS 11 HG2 LYS 11 16.301 -5.327 3.904 109 HG3 LYS 11 HG1 LYS 11 17.812 -4.983 4.743 110 HD2 LYS 11 HD2 LYS 11 17.043 -2.972 5.584 111 HD3 LYS 11 HD1 LYS 11 15.981 -2.670 4.213 112 HE2 LYS 11 HE2 LYS 11 15.466 -4.845 6.252 113 HE3 LYS 11 HE1 LYS 11 14.772 -3.226 6.363 114 HZ1 LYS 11 HZ1 LYS 11 13.983 -3.657 3.987 115 HZ2 LYS 11 HZ2 LYS 11 13.170 -4.469 5.240 116 HZ3 LYS 11 HZ3 LYS 11 14.316 -5.291 4.298 117 H LEU 12 HN LEU 12 17.919 -1.805 0.773 118 HA LEU 12 HA LEU 12 20.305 -2.596 -0.596 119 HB2 LEU 12 HB2 LEU 12 18.038 -0.738 -1.311 120 HB3 LEU 12 HB1 LEU 12 19.400 -1.036 -2.393 121 HG LEU 12 HG LEU 12 17.847 -3.331 -1.188 122 HD11 LEU 12 HD11 LEU 12 16.314 -1.695 -2.390 123 HD12 LEU 12 HD12 LEU 12 16.338 -3.329 -3.055 124 HD13 LEU 12 HD13 LEU 12 17.233 -2.037 -3.855 125 HD21 LEU 12 HD21 LEU 12 18.603 -4.308 -3.456 126 HD22 LEU 12 HD22 LEU 12 19.842 -4.051 -2.230 127 HD23 LEU 12 HD23 LEU 12 19.669 -2.909 -3.563 128 H ARG 13 HN ARG 13 19.409 0.222 1.248 129 HA ARG 13 HA ARG 13 21.219 2.041 0.092 130 HB2 ARG 13 HB2 ARG 13 20.986 3.359 2.114 131 HB3 ARG 13 HB1 ARG 13 19.418 2.710 1.652 132 HG2 ARG 13 HG2 ARG 13 19.258 1.942 3.770 133 HG3 ARG 13 HG1 ARG 13 20.449 0.730 3.305 134 HD2 ARG 13 HD2 ARG 13 21.839 1.621 4.849 135 HD3 ARG 13 HD1 ARG 13 21.950 3.045 3.830 136 HE ARG 13 HE ARG 13 20.654 4.173 5.375 137 HH11 ARG 13 HH11 ARG 13 19.519 4.327 7.338 138 HH12 ARG 13 HH12 ARG 13 18.933 2.897 8.121 139 HH21 ARG 13 HH21 ARG 13 20.176 0.749 5.681 140 HH22 ARG 13 HH22 ARG 13 19.318 0.857 7.182 141 H LEU 14 HN LEU 14 21.696 -0.414 2.632 142 HA LEU 14 HA LEU 14 24.278 0.409 3.425 143 HB2 LEU 14 HB2 LEU 14 23.178 -2.409 3.330 144 HB3 LEU 14 HB1 LEU 14 24.564 -1.856 4.269 145 HG LEU 14 HG LEU 14 22.527 -0.075 4.961 146 HD11 LEU 14 HD11 LEU 14 20.693 -1.572 5.702 147 HD12 LEU 14 HD12 LEU 14 21.468 -2.911 4.857 148 HD13 LEU 14 HD13 LEU 14 20.844 -1.538 3.945 149 HD21 LEU 14 HD21 LEU 14 23.658 -2.541 6.288 150 HD22 LEU 14 HD22 LEU 14 22.564 -1.434 7.117 151 HD23 LEU 14 HD23 LEU 14 24.130 -0.860 6.544 152 H LYS 15 HN LYS 15 23.212 -0.854 0.447 153 HA LYS 15 HA LYS 15 25.761 -2.107 -0.199 154 HB2 LYS 15 HB2 LYS 15 23.162 -1.757 -1.668 155 HB3 LYS 15 HB1 LYS 15 24.624 -2.228 -2.532 156 HG2 LYS 15 HG2 LYS 15 23.680 -4.300 -1.939 157 HG3 LYS 15 HG1 LYS 15 24.874 -4.031 -0.671 158 HD2 LYS 15 HD2 LYS 15 22.460 -2.750 0.156 159 HD3 LYS 15 HD1 LYS 15 22.028 -4.367 -0.401 160 HE2 LYS 15 HE2 LYS 15 23.954 -3.596 1.807 161 HE3 LYS 15 HE1 LYS 15 22.555 -4.663 1.896 162 HZ1 LYS 15 HZ1 LYS 15 24.364 -6.095 1.830 163 HZ2 LYS 15 HZ2 LYS 15 25.193 -5.181 0.670 164 HZ3 LYS 15 HZ3 LYS 15 23.824 -6.087 0.226 165 H ILE 16 HN ILE 16 23.962 0.825 -0.980 166 HA ILE 16 HA ILE 16 26.203 1.765 -2.596 167 HB ILE 16 HB ILE 16 24.642 2.649 -3.904 168 HG12 ILE 16 HG12 ILE 16 24.710 4.594 -2.171 169 HG13 ILE 16 HG11 ILE 16 23.353 4.518 -3.288 170 HG21 ILE 16 HG21 ILE 16 23.308 0.715 -3.234 171 HG22 ILE 16 HG22 ILE 16 22.267 2.109 -3.518 172 HG23 ILE 16 HG23 ILE 16 22.658 1.623 -1.871 173 HD11 ILE 16 HD11 ILE 16 22.942 4.818 -0.681 174 HD12 ILE 16 HD12 ILE 16 23.102 3.063 -0.688 175 HD13 ILE 16 HD13 ILE 16 21.858 3.837 -1.664 176 H ALA 17 HN ALA 17 24.552 2.404 0.389 177 HA ALA 17 HA ALA 17 25.824 4.990 0.771 178 HB1 ALA 17 HB1 ALA 17 24.231 3.336 2.739 179 HB2 ALA 17 HB2 ALA 17 23.547 4.533 1.638 180 HB3 ALA 17 HB3 ALA 17 24.667 5.037 2.905 181 H PHE 18 HN PHE 18 27.211 2.120 0.774 182 HA PHE 18 HA PHE 18 28.826 2.628 3.208 183 HB2 PHE 18 HB2 PHE 18 27.575 0.241 2.304 184 HB3 PHE 18 HB1 PHE 18 29.308 0.012 2.098 185 HD1 PHE 18 HD1 PHE 18 26.824 -0.703 4.265 186 HD2 PHE 18 HD2 PHE 18 30.599 1.362 4.253 187 HE1 PHE 18 HE1 PHE 18 27.054 -1.110 6.696 188 HE2 PHE 18 HE2 PHE 18 30.819 0.956 6.693 189 HZ PHE 18 HZ PHE 18 29.054 -0.280 7.912 190 H LYS 19 HN LYS 19 28.722 3.076 0.021 191 HA LYS 19 HA LYS 19 31.595 2.595 -0.431 192 HB2 LYS 19 HB2 LYS 19 29.949 3.258 -2.764 193 HB3 LYS 19 HB1 LYS 19 31.088 1.943 -2.520 194 HG2 LYS 19 HG2 LYS 19 28.280 2.004 -1.380 195 HG3 LYS 19 HG1 LYS 19 28.746 1.145 -2.844 196 HD2 LYS 19 HD2 LYS 19 30.431 0.576 -0.471 197 HD3 LYS 19 HD1 LYS 19 28.768 -0.001 -0.365 198 HE2 LYS 19 HE2 LYS 19 30.734 -0.597 -2.601 199 HE3 LYS 19 HE1 LYS 19 30.188 -1.730 -1.369 200 HZ1 LYS 19 HZ1 LYS 19 28.872 -0.853 -3.771 201 HZ2 LYS 19 HZ2 LYS 19 27.864 -0.812 -2.398 202 HZ3 LYS 19 HZ3 LYS 19 28.627 -2.260 -2.857 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 2.792 1.442 -5.089 2 H3 PRO 1 HT2 PRO 1 1.178 1.398 -4.571 3 HA PRO 1 HA PRO 1 1.928 1.481 -2.495 4 HB2 PRO 1 HB2 PRO 1 3.414 -1.000 -2.423 5 HB3 PRO 1 HB1 PRO 1 1.800 -0.660 -1.773 6 HG2 PRO 1 HG2 PRO 1 2.303 -2.287 -3.932 7 HG3 PRO 1 HG1 PRO 1 0.758 -1.492 -3.594 8 HD2 PRO 1 HD2 PRO 1 2.854 -0.752 -5.598 9 HD3 PRO 1 HD1 PRO 1 1.093 -0.542 -5.672 10 H MET 2 HN MET 2 3.389 3.169 -2.545 11 HA MET 2 HA MET 2 6.115 2.858 -3.410 12 HB2 MET 2 HB2 MET 2 6.369 5.124 -2.254 13 HB3 MET 2 HB1 MET 2 5.240 5.052 -3.606 14 HG2 MET 2 HG2 MET 2 4.177 4.505 -0.856 15 HG3 MET 2 HG1 MET 2 4.541 6.176 -1.290 16 HE1 MET 2 HE1 MET 2 1.461 3.610 -1.500 17 HE2 MET 2 HE2 MET 2 0.706 5.194 -1.369 18 HE3 MET 2 HE3 MET 2 2.099 4.807 -0.367 19 H ALA 3 HN ALA 3 4.428 2.048 -0.591 20 HA ALA 3 HA ALA 3 6.346 2.537 1.417 21 HB1 ALA 3 HB1 ALA 3 5.002 1.033 2.773 22 HB2 ALA 3 HB2 ALA 3 4.209 0.409 1.326 23 HB3 ALA 3 HB3 ALA 3 3.954 2.083 1.820 24 H ARG 4 HN ARG 4 5.729 -0.352 -0.524 25 HA ARG 4 HA ARG 4 7.387 -2.168 0.746 26 HB2 ARG 4 HB2 ARG 4 7.712 -2.981 -1.768 27 HB3 ARG 4 HB1 ARG 4 6.161 -3.149 -0.939 28 HG2 ARG 4 HG2 ARG 4 5.291 -1.177 -1.959 29 HG3 ARG 4 HG1 ARG 4 6.882 -0.686 -2.531 30 HD2 ARG 4 HD2 ARG 4 6.852 -2.940 -3.847 31 HD3 ARG 4 HD1 ARG 4 5.110 -2.880 -3.584 32 HE ARG 4 HE ARG 4 5.606 -0.408 -4.554 33 HH11 ARG 4 HH11 ARG 4 5.817 0.160 -6.755 34 HH12 ARG 4 HH12 ARG 4 6.275 -1.032 -7.920 35 HH21 ARG 4 HH21 ARG 4 6.492 -3.608 -5.611 36 HH22 ARG 4 HH22 ARG 4 6.665 -3.155 -7.277 37 H ASN 5 HN ASN 5 8.242 0.284 -1.650 38 HA ASN 5 HA ASN 5 10.894 -0.552 -2.095 39 HB2 ASN 5 HB2 ASN 5 9.780 1.054 -3.557 40 HB3 ASN 5 HB1 ASN 5 9.709 2.225 -2.245 41 HD21 ASN 5 HD21 ASN 5 12.335 0.109 -3.564 42 HD22 ASN 5 HD22 ASN 5 13.460 1.373 -3.712 43 H LYS 6 HN LYS 6 9.471 1.530 0.373 44 HA LYS 6 HA LYS 6 11.835 2.602 1.445 45 HB2 LYS 6 HB2 LYS 6 9.383 1.870 3.059 46 HB3 LYS 6 HB1 LYS 6 10.558 3.141 3.394 47 HG2 LYS 6 HG2 LYS 6 8.724 3.057 0.981 48 HG3 LYS 6 HG1 LYS 6 8.482 4.056 2.411 49 HD2 LYS 6 HD2 LYS 6 10.130 5.535 1.834 50 HD3 LYS 6 HD1 LYS 6 11.138 4.303 1.081 51 HE2 LYS 6 HE2 LYS 6 9.960 6.087 -0.434 52 HE3 LYS 6 HE1 LYS 6 9.959 4.400 -0.947 53 HZ1 LYS 6 HZ1 LYS 6 7.772 5.215 0.784 54 HZ2 LYS 6 HZ2 LYS 6 7.760 4.188 -0.574 55 HZ3 LYS 6 HZ3 LYS 6 7.767 5.879 -0.773 56 H LYS 7 HN LYS 7 10.265 -0.500 1.975 57 HA LYS 7 HA LYS 7 11.823 -1.278 4.214 58 HB2 LYS 7 HB2 LYS 7 10.169 -2.763 2.185 59 HB3 LYS 7 HB1 LYS 7 11.158 -3.645 3.346 60 HG2 LYS 7 HG2 LYS 7 8.925 -3.379 4.285 61 HG3 LYS 7 HG1 LYS 7 10.040 -2.358 5.191 62 HD2 LYS 7 HD2 LYS 7 9.305 -0.384 4.062 63 HD3 LYS 7 HD1 LYS 7 8.412 -1.317 2.862 64 HE2 LYS 7 HE2 LYS 7 6.890 -0.364 4.558 65 HE3 LYS 7 HE1 LYS 7 6.890 -2.129 4.614 66 HZ1 LYS 7 HZ1 LYS 7 7.394 -1.949 6.742 67 HZ2 LYS 7 HZ2 LYS 7 7.615 -0.273 6.632 68 HZ3 LYS 7 HZ3 LYS 7 8.909 -1.330 6.304 69 H LEU 8 HN LEU 8 12.146 -1.791 0.722 70 HA LEU 8 HA LEU 8 14.549 -3.334 0.939 71 HB2 LEU 8 HB2 LEU 8 13.392 -1.801 -1.404 72 HB3 LEU 8 HB1 LEU 8 14.716 -2.961 -1.495 73 HG LEU 8 HG LEU 8 12.403 -4.073 -0.082 74 HD11 LEU 8 HD11 LEU 8 10.948 -4.283 -2.054 75 HD12 LEU 8 HD12 LEU 8 12.044 -3.271 -2.987 76 HD13 LEU 8 HD13 LEU 8 11.157 -2.587 -1.629 77 HD21 LEU 8 HD21 LEU 8 14.011 -4.837 -2.534 78 HD22 LEU 8 HD22 LEU 8 12.770 -5.860 -1.811 79 HD23 LEU 8 HD23 LEU 8 14.220 -5.453 -0.895 80 H LEU 9 HN LEU 9 13.781 0.062 0.689 81 HA LEU 9 HA LEU 9 16.230 1.095 -0.161 82 HB2 LEU 9 HB2 LEU 9 13.903 2.230 0.455 83 HB3 LEU 9 HB1 LEU 9 14.733 2.549 1.977 84 HG LEU 9 HG LEU 9 16.340 3.117 -0.447 85 HD11 LEU 9 HD11 LEU 9 14.269 5.172 0.243 86 HD12 LEU 9 HD12 LEU 9 13.831 3.867 -0.859 87 HD13 LEU 9 HD13 LEU 9 15.166 4.947 -1.258 88 HD21 LEU 9 HD21 LEU 9 17.073 3.667 1.844 89 HD22 LEU 9 HD22 LEU 9 15.655 4.695 2.053 90 HD23 LEU 9 HD23 LEU 9 16.893 5.127 0.873 91 H LYS 10 HN LYS 10 15.191 0.059 3.049 92 HA LYS 10 HA LYS 10 17.365 1.060 4.536 93 HB2 LYS 10 HB2 LYS 10 16.179 -1.608 5.200 94 HB3 LYS 10 HB1 LYS 10 16.631 -0.289 6.276 95 HG2 LYS 10 HG2 LYS 10 14.718 1.025 5.076 96 HG3 LYS 10 HG1 LYS 10 14.166 -0.568 4.568 97 HD2 LYS 10 HD2 LYS 10 14.645 0.296 7.435 98 HD3 LYS 10 HD1 LYS 10 13.066 0.132 6.670 99 HE2 LYS 10 HE2 LYS 10 14.534 -2.300 6.232 100 HE3 LYS 10 HE1 LYS 10 14.610 -1.898 7.947 101 HZ1 LYS 10 HZ1 LYS 10 12.463 -2.983 6.537 102 HZ2 LYS 10 HZ2 LYS 10 12.001 -1.425 7.044 103 HZ3 LYS 10 HZ3 LYS 10 12.537 -2.564 8.177 104 H LYS 11 HN LYS 11 16.999 -1.745 2.489 105 HA LYS 11 HA LYS 11 19.505 -2.914 3.293 106 HB2 LYS 11 HB2 LYS 11 17.405 -3.611 1.253 107 HB3 LYS 11 HB1 LYS 11 18.996 -4.369 1.188 108 HG2 LYS 11 HG2 LYS 11 17.743 -5.850 2.536 109 HG3 LYS 11 HG1 LYS 11 18.631 -4.873 3.703 110 HD2 LYS 11 HD2 LYS 11 16.457 -3.323 3.500 111 HD3 LYS 11 HD1 LYS 11 15.715 -4.859 3.056 112 HE2 LYS 11 HE2 LYS 11 17.190 -4.186 5.612 113 HE3 LYS 11 HE1 LYS 11 15.503 -4.673 5.436 114 HZ1 LYS 11 HZ1 LYS 11 16.892 -6.503 6.187 115 HZ2 LYS 11 HZ2 LYS 11 17.872 -6.357 4.812 116 HZ3 LYS 11 HZ3 LYS 11 16.247 -6.829 4.654 117 H LEU 12 HN LEU 12 18.173 -1.312 0.425 118 HA LEU 12 HA LEU 12 20.424 -1.384 -1.211 119 HB2 LEU 12 HB2 LEU 12 18.397 0.853 -0.989 120 HB3 LEU 12 HB1 LEU 12 19.478 0.574 -2.352 121 HG LEU 12 HG LEU 12 17.506 -1.504 -1.382 122 HD11 LEU 12 HD11 LEU 12 16.737 -0.359 -3.880 123 HD12 LEU 12 HD12 LEU 12 16.958 0.958 -2.729 124 HD13 LEU 12 HD13 LEU 12 15.840 -0.356 -2.361 125 HD21 LEU 12 HD21 LEU 12 17.926 -2.526 -3.536 126 HD22 LEU 12 HD22 LEU 12 19.484 -2.208 -2.777 127 HD23 LEU 12 HD23 LEU 12 18.895 -1.146 -4.056 128 H ARG 13 HN ARG 13 19.600 0.898 1.378 129 HA ARG 13 HA ARG 13 21.645 2.758 0.875 130 HB2 ARG 13 HB2 ARG 13 21.136 3.701 2.942 131 HB3 ARG 13 HB1 ARG 13 19.638 2.878 2.537 132 HG2 ARG 13 HG2 ARG 13 19.913 2.118 4.700 133 HG3 ARG 13 HG1 ARG 13 20.798 0.862 3.839 134 HD2 ARG 13 HD2 ARG 13 22.030 1.798 5.814 135 HD3 ARG 13 HD1 ARG 13 22.917 1.948 4.310 136 HE ARG 13 HE ARG 13 21.546 4.146 5.739 137 HH11 ARG 13 HH11 ARG 13 22.476 6.167 5.359 138 HH12 ARG 13 HH12 ARG 13 23.729 6.342 4.178 139 HH21 ARG 13 HH21 ARG 13 23.706 3.009 3.242 140 HH22 ARG 13 HH22 ARG 13 24.423 4.565 2.986 141 H LEU 14 HN LEU 14 21.689 -0.367 2.458 142 HA LEU 14 HA LEU 14 24.276 -0.027 3.639 143 HB2 LEU 14 HB2 LEU 14 23.114 -2.702 2.909 144 HB3 LEU 14 HB1 LEU 14 24.125 -2.278 4.290 145 HG LEU 14 HG LEU 14 21.275 -1.327 3.881 146 HD11 LEU 14 HD11 LEU 14 22.400 -3.464 5.704 147 HD12 LEU 14 HD12 LEU 14 21.375 -3.742 4.293 148 HD13 LEU 14 HD13 LEU 14 20.733 -2.892 5.700 149 HD21 LEU 14 HD21 LEU 14 23.059 0.013 5.269 150 HD22 LEU 14 HD22 LEU 14 22.821 -1.269 6.453 151 HD23 LEU 14 HD23 LEU 14 21.456 -0.270 5.950 152 H LYS 15 HN LYS 15 23.039 -1.330 0.628 153 HA LYS 15 HA LYS 15 25.520 -2.445 -0.226 154 HB2 LYS 15 HB2 LYS 15 22.837 -2.020 -1.439 155 HB3 LYS 15 HB1 LYS 15 24.196 -2.281 -2.533 156 HG2 LYS 15 HG2 LYS 15 23.383 -4.471 -2.072 157 HG3 LYS 15 HG1 LYS 15 24.811 -4.293 -1.053 158 HD2 LYS 15 HD2 LYS 15 22.467 -3.306 0.340 159 HD3 LYS 15 HD1 LYS 15 22.188 -4.949 -0.225 160 HE2 LYS 15 HE2 LYS 15 24.549 -4.026 1.450 161 HE3 LYS 15 HE1 LYS 15 23.208 -5.026 2.007 162 HZ1 LYS 15 HZ1 LYS 15 24.215 -6.236 -0.271 163 HZ2 LYS 15 HZ2 LYS 15 24.349 -6.782 1.330 164 HZ3 LYS 15 HZ3 LYS 15 25.567 -5.812 0.654 165 H ILE 16 HN ILE 16 23.922 0.680 -1.000 166 HA ILE 16 HA ILE 16 25.936 1.339 -2.918 167 HB ILE 16 HB ILE 16 24.643 3.101 -3.408 168 HG12 ILE 16 HG12 ILE 16 25.600 4.333 -1.424 169 HG13 ILE 16 HG11 ILE 16 23.971 4.826 -1.875 170 HG21 ILE 16 HG21 ILE 16 23.011 1.217 -2.633 171 HG22 ILE 16 HG22 ILE 16 22.388 2.825 -2.994 172 HG23 ILE 16 HG23 ILE 16 22.647 2.340 -1.323 173 HD11 ILE 16 HD11 ILE 16 23.847 2.616 -0.021 174 HD12 ILE 16 HD12 ILE 16 23.176 4.238 0.139 175 HD13 ILE 16 HD13 ILE 16 24.830 3.916 0.649 176 H ALA 17 HN ALA 17 25.661 1.489 0.479 177 HA ALA 17 HA ALA 17 27.882 3.369 0.761 178 HB1 ALA 17 HB1 ALA 17 27.416 2.844 3.249 179 HB2 ALA 17 HB2 ALA 17 25.956 2.059 2.659 180 HB3 ALA 17 HB3 ALA 17 26.219 3.776 2.357 181 H PHE 18 HN PHE 18 27.301 0.019 0.564 182 HA PHE 18 HA PHE 18 29.327 -1.028 2.234 183 HB2 PHE 18 HB2 PHE 18 27.469 -2.338 1.128 184 HB3 PHE 18 HB1 PHE 18 28.368 -2.212 -0.383 185 HD1 PHE 18 HD1 PHE 18 28.877 -3.216 3.213 186 HD2 PHE 18 HD2 PHE 18 29.920 -3.866 -0.914 187 HE1 PHE 18 HE1 PHE 18 30.274 -5.157 3.869 188 HE2 PHE 18 HE2 PHE 18 31.316 -5.802 -0.250 189 HZ PHE 18 HZ PHE 18 31.491 -6.449 2.138 190 H LYS 19 HN LYS 19 29.504 0.829 -0.570 191 HA LYS 19 HA LYS 19 32.369 0.275 -0.796 192 HB2 LYS 19 HB2 LYS 19 32.321 0.128 -3.168 193 HB3 LYS 19 HB1 LYS 19 31.097 -0.989 -2.574 194 HG2 LYS 19 HG2 LYS 19 30.353 1.845 -3.312 195 HG3 LYS 19 HG1 LYS 19 30.487 0.604 -4.550 196 HD2 LYS 19 HD2 LYS 19 28.754 0.332 -2.086 197 HD3 LYS 19 HD1 LYS 19 28.167 0.917 -3.639 198 HE2 LYS 19 HE2 LYS 19 29.255 -1.807 -2.963 199 HE3 LYS 19 HE1 LYS 19 27.676 -1.405 -3.628 200 HZ1 LYS 19 HZ1 LYS 19 28.592 -1.843 -5.590 201 HZ2 LYS 19 HZ2 LYS 19 30.168 -1.819 -4.967 202 HZ3 LYS 19 HZ3 LYS 19 29.414 -0.375 -5.435 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 1.821 0.740 -3.073 2 H3 PRO 1 HT2 PRO 1 0.368 1.516 -2.655 3 HA PRO 1 HA PRO 1 1.477 2.587 -1.092 4 HB2 PRO 1 HB2 PRO 1 2.355 0.349 0.523 5 HB3 PRO 1 HB1 PRO 1 1.005 1.459 0.824 6 HG2 PRO 1 HG2 PRO 1 0.737 -1.200 0.155 7 HG3 PRO 1 HG1 PRO 1 -0.513 0.034 -0.047 8 HD2 PRO 1 HD2 PRO 1 1.245 -1.210 -2.114 9 HD3 PRO 1 HD1 PRO 1 -0.396 -0.550 -2.268 10 H MET 2 HN MET 2 3.229 3.175 -2.565 11 HA MET 2 HA MET 2 5.541 1.683 -3.051 12 HB2 MET 2 HB2 MET 2 6.666 3.978 -3.283 13 HB3 MET 2 HB1 MET 2 5.271 3.675 -4.318 14 HG2 MET 2 HG2 MET 2 4.699 4.864 -1.648 15 HG3 MET 2 HG1 MET 2 5.526 5.905 -2.804 16 HE1 MET 2 HE1 MET 2 2.144 4.885 -1.520 17 HE2 MET 2 HE2 MET 2 1.393 6.192 -2.432 18 HE3 MET 2 HE3 MET 2 2.868 6.501 -1.524 19 H ALA 3 HN ALA 3 4.458 3.111 -0.136 20 HA ALA 3 HA ALA 3 6.848 3.693 1.192 21 HB1 ALA 3 HB1 ALA 3 5.500 3.056 3.286 22 HB2 ALA 3 HB2 ALA 3 4.167 2.714 2.184 23 HB3 ALA 3 HB3 ALA 3 4.839 4.342 2.279 24 H ARG 4 HN ARG 4 5.468 0.662 0.267 25 HA ARG 4 HA ARG 4 6.835 -0.967 2.182 26 HB2 ARG 4 HB2 ARG 4 6.204 -2.840 0.739 27 HB3 ARG 4 HB1 ARG 4 4.834 -1.754 0.966 28 HG2 ARG 4 HG2 ARG 4 5.770 -0.605 -1.223 29 HG3 ARG 4 HG1 ARG 4 6.531 -2.179 -1.471 30 HD2 ARG 4 HD2 ARG 4 4.097 -3.057 -0.866 31 HD3 ARG 4 HD1 ARG 4 3.627 -1.463 -1.431 32 HE ARG 4 HE ARG 4 5.043 -2.144 -3.501 33 HH11 ARG 4 HH11 ARG 4 4.628 -3.614 -5.162 34 HH12 ARG 4 HH12 ARG 4 3.669 -5.024 -4.857 35 HH21 ARG 4 HH21 ARG 4 3.077 -4.227 -1.531 36 HH22 ARG 4 HH22 ARG 4 2.773 -5.363 -2.803 37 H ASN 5 HN ASN 5 7.544 0.131 -1.101 38 HA ASN 5 HA ASN 5 9.831 -1.446 -1.560 39 HB2 ASN 5 HB2 ASN 5 8.467 0.150 -3.151 40 HB3 ASN 5 HB1 ASN 5 9.657 1.341 -2.633 41 HD21 ASN 5 HD21 ASN 5 11.872 -0.597 -2.353 42 HD22 ASN 5 HD22 ASN 5 12.307 -1.046 -3.932 43 H LYS 6 HN LYS 6 9.390 1.640 0.076 44 HA LYS 6 HA LYS 6 12.050 2.459 0.294 45 HB2 LYS 6 HB2 LYS 6 9.596 2.910 1.949 46 HB3 LYS 6 HB1 LYS 6 11.155 3.480 2.540 47 HG2 LYS 6 HG2 LYS 6 10.486 4.100 -0.303 48 HG3 LYS 6 HG1 LYS 6 9.584 4.972 0.938 49 HD2 LYS 6 HD2 LYS 6 12.042 5.265 1.973 50 HD3 LYS 6 HD1 LYS 6 12.495 5.093 0.276 51 HE2 LYS 6 HE2 LYS 6 10.663 7.160 1.514 52 HE3 LYS 6 HE1 LYS 6 12.161 7.433 0.626 53 HZ1 LYS 6 HZ1 LYS 6 9.780 6.162 -0.599 54 HZ2 LYS 6 HZ2 LYS 6 11.154 6.789 -1.382 55 HZ3 LYS 6 HZ3 LYS 6 10.043 7.833 -0.633 56 H LYS 7 HN LYS 7 10.227 0.146 2.228 57 HA LYS 7 HA LYS 7 12.186 -0.099 4.278 58 HB2 LYS 7 HB2 LYS 7 10.393 -2.391 3.628 59 HB3 LYS 7 HB1 LYS 7 10.830 -1.711 5.194 60 HG2 LYS 7 HG2 LYS 7 8.777 -0.727 3.222 61 HG3 LYS 7 HG1 LYS 7 8.602 -1.016 4.949 62 HD2 LYS 7 HD2 LYS 7 10.549 0.929 4.910 63 HD3 LYS 7 HD1 LYS 7 9.532 1.395 3.551 64 HE2 LYS 7 HE2 LYS 7 8.459 0.740 6.303 65 HE3 LYS 7 HE1 LYS 7 8.780 2.370 5.731 66 HZ1 LYS 7 HZ1 LYS 7 7.337 1.433 3.714 67 HZ2 LYS 7 HZ2 LYS 7 6.662 2.237 5.052 68 HZ3 LYS 7 HZ3 LYS 7 6.659 0.540 4.992 69 H LEU 8 HN LEU 8 11.742 -1.615 1.172 70 HA LEU 8 HA LEU 8 13.791 -3.620 1.677 71 HB2 LEU 8 HB2 LEU 8 12.198 -2.909 -0.794 72 HB3 LEU 8 HB1 LEU 8 13.397 -4.197 -0.733 73 HG LEU 8 HG LEU 8 11.741 -4.576 1.530 74 HD11 LEU 8 HD11 LEU 8 10.287 -3.219 -0.514 75 HD12 LEU 8 HD12 LEU 8 9.664 -3.938 0.969 76 HD13 LEU 8 HD13 LEU 8 9.747 -4.896 -0.508 77 HD21 LEU 8 HD21 LEU 8 11.686 -6.025 -1.138 78 HD22 LEU 8 HD22 LEU 8 11.222 -6.687 0.429 79 HD23 LEU 8 HD23 LEU 8 12.910 -6.288 0.106 80 H LEU 9 HN LEU 9 13.462 -0.480 0.198 81 HA LEU 9 HA LEU 9 15.806 -0.445 -1.379 82 HB2 LEU 9 HB2 LEU 9 14.109 1.677 -0.091 83 HB3 LEU 9 HB1 LEU 9 15.613 2.113 -0.899 84 HG LEU 9 HG LEU 9 13.616 0.353 -2.306 85 HD11 LEU 9 HD11 LEU 9 12.151 2.113 -1.880 86 HD12 LEU 9 HD12 LEU 9 12.922 2.678 -3.360 87 HD13 LEU 9 HD13 LEU 9 13.441 3.309 -1.797 88 HD21 LEU 9 HD21 LEU 9 15.732 2.351 -3.148 89 HD22 LEU 9 HD22 LEU 9 14.656 1.516 -4.270 90 HD23 LEU 9 HD23 LEU 9 15.808 0.598 -3.303 91 H LYS 10 HN LYS 10 15.275 0.073 2.058 92 HA LYS 10 HA LYS 10 17.683 1.364 2.706 93 HB2 LYS 10 HB2 LYS 10 16.574 -0.713 4.560 94 HB3 LYS 10 HB1 LYS 10 17.217 0.884 4.928 95 HG2 LYS 10 HG2 LYS 10 15.076 1.550 3.376 96 HG3 LYS 10 HG1 LYS 10 14.475 0.090 4.157 97 HD2 LYS 10 HD2 LYS 10 15.630 2.511 5.565 98 HD3 LYS 10 HD1 LYS 10 13.927 2.063 5.505 99 HE2 LYS 10 HE2 LYS 10 14.558 -0.126 6.606 100 HE3 LYS 10 HE1 LYS 10 16.179 0.533 6.838 101 HZ1 LYS 10 HZ1 LYS 10 13.733 1.922 7.764 102 HZ2 LYS 10 HZ2 LYS 10 15.346 2.262 8.177 103 HZ3 LYS 10 HZ3 LYS 10 14.607 0.844 8.745 104 H LYS 11 HN LYS 11 16.918 -2.062 2.362 105 HA LYS 11 HA LYS 11 19.317 -3.144 3.290 106 HB2 LYS 11 HB2 LYS 11 17.360 -4.075 1.180 107 HB3 LYS 11 HB1 LYS 11 18.763 -5.031 1.649 108 HG2 LYS 11 HG2 LYS 11 16.632 -5.620 2.894 109 HG3 LYS 11 HG1 LYS 11 17.992 -5.198 3.933 110 HD2 LYS 11 HD2 LYS 11 17.111 -2.949 4.263 111 HD3 LYS 11 HD1 LYS 11 15.815 -3.244 3.101 112 HE2 LYS 11 HE2 LYS 11 15.879 -5.287 5.181 113 HE3 LYS 11 HE1 LYS 11 15.704 -3.669 5.864 114 HZ1 LYS 11 HZ1 LYS 11 13.558 -4.599 5.346 115 HZ2 LYS 11 HZ2 LYS 11 14.020 -4.875 3.740 116 HZ3 LYS 11 HZ3 LYS 11 13.861 -3.279 4.315 117 H LEU 12 HN LEU 12 18.493 -1.670 0.223 118 HA LEU 12 HA LEU 12 20.890 -2.430 -1.154 119 HB2 LEU 12 HB2 LEU 12 19.074 -0.105 -1.790 120 HB3 LEU 12 HB1 LEU 12 20.140 -0.976 -2.895 121 HG LEU 12 HG LEU 12 17.761 -2.191 -1.452 122 HD11 LEU 12 HD11 LEU 12 16.469 -1.735 -3.267 123 HD12 LEU 12 HD12 LEU 12 17.796 -2.008 -4.397 124 HD13 LEU 12 HD13 LEU 12 17.651 -0.459 -3.564 125 HD21 LEU 12 HD21 LEU 12 19.721 -3.261 -3.499 126 HD22 LEU 12 HD22 LEU 12 18.172 -4.030 -3.148 127 HD23 LEU 12 HD23 LEU 12 19.391 -3.890 -1.885 128 H ARG 13 HN ARG 13 19.959 0.317 0.870 129 HA ARG 13 HA ARG 13 22.015 2.054 0.046 130 HB2 ARG 13 HB2 ARG 13 21.534 3.387 1.947 131 HB3 ARG 13 HB1 ARG 13 20.000 2.673 1.458 132 HG2 ARG 13 HG2 ARG 13 19.786 1.915 3.573 133 HG3 ARG 13 HG1 ARG 13 21.116 0.817 3.234 134 HD2 ARG 13 HD2 ARG 13 22.695 2.684 3.866 135 HD3 ARG 13 HD1 ARG 13 21.288 3.580 4.438 136 HE ARG 13 HE ARG 13 21.094 1.154 5.698 137 HH11 ARG 13 HH11 ARG 13 22.081 0.697 7.710 138 HH12 ARG 13 HH12 ARG 13 23.457 1.622 8.219 139 HH21 ARG 13 HH21 ARG 13 23.485 3.631 5.389 140 HH22 ARG 13 HH22 ARG 13 24.238 3.309 6.914 141 H LEU 14 HN LEU 14 22.036 -0.532 2.463 142 HA LEU 14 HA LEU 14 24.503 0.129 3.652 143 HB2 LEU 14 HB2 LEU 14 23.181 -2.565 3.253 144 HB3 LEU 14 HB1 LEU 14 24.600 -2.292 4.265 145 HG LEU 14 HG LEU 14 22.949 -0.327 5.191 146 HD11 LEU 14 HD11 LEU 14 20.982 -2.516 5.171 147 HD12 LEU 14 HD12 LEU 14 21.249 -1.789 3.588 148 HD13 LEU 14 HD13 LEU 14 20.741 -0.785 4.943 149 HD21 LEU 14 HD21 LEU 14 22.427 -1.970 7.043 150 HD22 LEU 14 HD22 LEU 14 24.135 -1.859 6.625 151 HD23 LEU 14 HD23 LEU 14 23.178 -3.223 6.053 152 H LYS 15 HN LYS 15 23.807 -0.960 0.494 153 HA LYS 15 HA LYS 15 26.418 -2.188 0.091 154 HB2 LYS 15 HB2 LYS 15 24.027 -1.692 -1.677 155 HB3 LYS 15 HB1 LYS 15 25.577 -2.177 -2.359 156 HG2 LYS 15 HG2 LYS 15 24.561 -4.245 -2.015 157 HG3 LYS 15 HG1 LYS 15 25.485 -4.059 -0.525 158 HD2 LYS 15 HD2 LYS 15 22.979 -2.752 -0.139 159 HD3 LYS 15 HD1 LYS 15 22.636 -4.332 -0.846 160 HE2 LYS 15 HE2 LYS 15 24.051 -3.684 1.740 161 HE3 LYS 15 HE1 LYS 15 22.709 -4.791 1.463 162 HZ1 LYS 15 HZ1 LYS 15 24.193 -6.409 1.287 163 HZ2 LYS 15 HZ2 LYS 15 25.486 -5.318 1.387 164 HZ3 LYS 15 HZ3 LYS 15 24.791 -5.689 -0.121 165 H ILE 16 HN ILE 16 24.714 0.790 -0.779 166 HA ILE 16 HA ILE 16 27.082 1.781 -2.129 167 HB ILE 16 HB ILE 16 25.638 2.947 -3.342 168 HG12 ILE 16 HG12 ILE 16 25.707 4.622 -1.324 169 HG13 ILE 16 HG11 ILE 16 24.449 4.799 -2.539 170 HG21 ILE 16 HG21 ILE 16 23.237 2.463 -3.153 171 HG22 ILE 16 HG22 ILE 16 23.501 1.765 -1.557 172 HG23 ILE 16 HG23 ILE 16 24.199 0.997 -2.981 173 HD11 ILE 16 HD11 ILE 16 24.130 3.352 0.105 174 HD12 ILE 16 HD12 ILE 16 22.877 3.546 -1.114 175 HD13 ILE 16 HD13 ILE 16 23.506 4.954 -0.264 176 H ALA 17 HN ALA 17 25.477 2.047 0.910 177 HA ALA 17 HA ALA 17 26.830 4.492 1.684 178 HB1 ALA 17 HB1 ALA 17 24.700 4.153 2.685 179 HB2 ALA 17 HB2 ALA 17 25.881 3.905 3.968 180 HB3 ALA 17 HB3 ALA 17 25.116 2.520 3.195 181 H PHE 18 HN PHE 18 27.817 1.327 1.374 182 HA PHE 18 HA PHE 18 29.473 1.151 3.721 183 HB2 PHE 18 HB2 PHE 18 28.517 -0.809 2.426 184 HB3 PHE 18 HB1 PHE 18 29.726 -0.475 1.187 185 HD1 PHE 18 HD1 PHE 18 29.843 -0.367 4.938 186 HD2 PHE 18 HD2 PHE 18 31.434 -2.098 1.340 187 HE1 PHE 18 HE1 PHE 18 31.513 -1.614 6.278 188 HE2 PHE 18 HE2 PHE 18 33.104 -3.346 2.681 189 HZ PHE 18 HZ PHE 18 33.143 -3.105 5.156 190 H LYS 19 HN LYS 19 29.672 3.218 1.286 191 HA LYS 19 HA LYS 19 32.580 3.424 1.510 192 HB2 LYS 19 HB2 LYS 19 32.708 3.876 -0.972 193 HB3 LYS 19 HB1 LYS 19 32.402 2.198 -0.531 194 HG2 LYS 19 HG2 LYS 19 30.035 3.972 -0.974 195 HG3 LYS 19 HG1 LYS 19 30.937 3.447 -2.391 196 HD2 LYS 19 HD2 LYS 19 30.098 1.455 -0.294 197 HD3 LYS 19 HD1 LYS 19 28.966 1.963 -1.543 198 HE2 LYS 19 HE2 LYS 19 31.719 0.816 -2.056 199 HE3 LYS 19 HE1 LYS 19 30.209 -0.087 -2.185 200 HZ1 LYS 19 HZ1 LYS 19 29.843 2.216 -3.665 201 HZ2 LYS 19 HZ2 LYS 19 30.077 0.643 -4.264 202 HZ3 LYS 19 HZ3 LYS 19 31.406 1.680 -4.056 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 4.865 1.905 -5.598 2 H3 PRO 1 HT2 PRO 1 3.598 3.013 -5.797 3 HA PRO 1 HA PRO 1 3.456 3.345 -3.633 4 HB2 PRO 1 HB2 PRO 1 3.576 0.521 -2.776 5 HB3 PRO 1 HB1 PRO 1 2.313 1.730 -2.487 6 HG2 PRO 1 HG2 PRO 1 2.033 -0.315 -4.238 7 HG3 PRO 1 HG1 PRO 1 1.221 1.246 -4.427 8 HD2 PRO 1 HD2 PRO 1 3.537 0.144 -5.941 9 HD3 PRO 1 HD1 PRO 1 2.311 1.321 -6.447 10 H MET 2 HN MET 2 5.621 4.194 -3.714 11 HA MET 2 HA MET 2 7.974 2.705 -3.393 12 HB2 MET 2 HB2 MET 2 8.790 4.954 -2.306 13 HB3 MET 2 HB1 MET 2 8.357 4.917 -4.015 14 HG2 MET 2 HG2 MET 2 6.126 5.459 -2.129 15 HG3 MET 2 HG1 MET 2 7.342 6.731 -2.276 16 HE1 MET 2 HE1 MET 2 4.001 5.666 -3.681 17 HE2 MET 2 HE2 MET 2 3.955 7.226 -4.498 18 HE3 MET 2 HE3 MET 2 4.503 7.129 -2.826 19 H ALA 3 HN ALA 3 5.450 3.247 -1.193 20 HA ALA 3 HA ALA 3 6.724 3.422 1.275 21 HB1 ALA 3 HB1 ALA 3 4.215 1.844 0.667 22 HB2 ALA 3 HB2 ALA 3 4.263 3.588 0.924 23 HB3 ALA 3 HB3 ALA 3 4.697 2.490 2.234 24 H ARG 4 HN ARG 4 5.991 0.550 -0.668 25 HA ARG 4 HA ARG 4 7.022 -1.287 1.300 26 HB2 ARG 4 HB2 ARG 4 7.090 -2.707 -1.037 27 HB3 ARG 4 HB1 ARG 4 5.670 -2.554 -0.003 28 HG2 ARG 4 HG2 ARG 4 4.963 -0.552 -1.300 29 HG3 ARG 4 HG1 ARG 4 6.350 -0.780 -2.366 30 HD2 ARG 4 HD2 ARG 4 5.131 -3.287 -2.328 31 HD3 ARG 4 HD1 ARG 4 3.776 -2.163 -2.347 32 HE ARG 4 HE ARG 4 5.660 -1.316 -4.271 33 HH11 ARG 4 HH11 ARG 4 5.290 -1.831 -6.475 34 HH12 ARG 4 HH12 ARG 4 4.207 -3.123 -6.877 35 HH21 ARG 4 HH21 ARG 4 3.468 -3.892 -3.577 36 HH22 ARG 4 HH22 ARG 4 3.177 -4.290 -5.237 37 H ASN 5 HN ASN 5 8.282 0.316 -1.569 38 HA ASN 5 HA ASN 5 10.672 -1.134 -1.841 39 HB2 ASN 5 HB2 ASN 5 9.753 1.586 -2.665 40 HB3 ASN 5 HB1 ASN 5 11.471 1.210 -2.769 41 HD21 ASN 5 HD21 ASN 5 10.585 1.592 -5.214 42 HD22 ASN 5 HD22 ASN 5 10.188 0.154 -6.026 43 H LYS 6 HN LYS 6 9.816 1.596 0.209 44 HA LYS 6 HA LYS 6 12.366 2.356 1.061 45 HB2 LYS 6 HB2 LYS 6 9.699 2.404 2.471 46 HB3 LYS 6 HB1 LYS 6 11.165 3.069 3.192 47 HG2 LYS 6 HG2 LYS 6 9.832 3.934 0.610 48 HG3 LYS 6 HG1 LYS 6 10.027 4.884 2.082 49 HD2 LYS 6 HD2 LYS 6 12.603 4.413 1.673 50 HD3 LYS 6 HD1 LYS 6 12.074 4.148 0.009 51 HE2 LYS 6 HE2 LYS 6 12.579 6.451 0.062 52 HE3 LYS 6 HE1 LYS 6 10.828 6.412 0.267 53 HZ1 LYS 6 HZ1 LYS 6 11.757 7.876 1.887 54 HZ2 LYS 6 HZ2 LYS 6 12.864 6.699 2.402 55 HZ3 LYS 6 HZ3 LYS 6 11.206 6.492 2.693 56 H LYS 7 HN LYS 7 10.355 -0.348 2.067 57 HA LYS 7 HA LYS 7 11.812 -1.057 4.400 58 HB2 LYS 7 HB2 LYS 7 10.037 -2.618 2.520 59 HB3 LYS 7 HB1 LYS 7 10.865 -3.397 3.869 60 HG2 LYS 7 HG2 LYS 7 8.542 -2.653 4.466 61 HG3 LYS 7 HG1 LYS 7 9.788 -1.900 5.464 62 HD2 LYS 7 HD2 LYS 7 9.692 0.139 4.173 63 HD3 LYS 7 HD1 LYS 7 8.622 -0.603 2.984 64 HE2 LYS 7 HE2 LYS 7 6.881 -0.869 4.762 65 HE3 LYS 7 HE1 LYS 7 7.964 -0.080 5.906 66 HZ1 LYS 7 HZ1 LYS 7 7.791 1.932 4.834 67 HZ2 LYS 7 HZ2 LYS 7 6.215 1.311 4.661 68 HZ3 LYS 7 HZ3 LYS 7 7.302 1.246 3.356 69 H LEU 8 HN LEU 8 12.059 -2.031 1.007 70 HA LEU 8 HA LEU 8 14.319 -3.754 1.452 71 HB2 LEU 8 HB2 LEU 8 13.482 -2.531 -1.183 72 HB3 LEU 8 HB1 LEU 8 14.370 -4.028 -0.914 73 HG LEU 8 HG LEU 8 11.783 -3.987 0.469 74 HD11 LEU 8 HD11 LEU 8 11.182 -4.556 -2.283 75 HD12 LEU 8 HD12 LEU 8 11.791 -2.909 -2.152 76 HD13 LEU 8 HD13 LEU 8 10.398 -3.411 -1.197 77 HD21 LEU 8 HD21 LEU 8 11.765 -6.230 -0.162 78 HD22 LEU 8 HD22 LEU 8 13.495 -5.898 -0.122 79 HD23 LEU 8 HD23 LEU 8 12.638 -5.921 -1.663 80 H LEU 9 HN LEU 9 13.773 -0.408 0.621 81 HA LEU 9 HA LEU 9 16.307 0.290 -0.328 82 HB2 LEU 9 HB2 LEU 9 14.071 1.675 -0.027 83 HB3 LEU 9 HB1 LEU 9 14.845 2.168 1.478 84 HG LEU 9 HG LEU 9 16.879 2.821 0.148 85 HD11 LEU 9 HD11 LEU 9 16.879 1.723 -1.877 86 HD12 LEU 9 HD12 LEU 9 16.098 3.216 -2.386 87 HD13 LEU 9 HD13 LEU 9 15.124 1.789 -2.036 88 HD21 LEU 9 HD21 LEU 9 15.687 4.801 -1.022 89 HD22 LEU 9 HD22 LEU 9 15.465 4.640 0.719 90 HD23 LEU 9 HD23 LEU 9 14.195 4.112 -0.386 91 H LYS 10 HN LYS 10 15.115 -0.196 2.945 92 HA LYS 10 HA LYS 10 17.288 0.898 4.370 93 HB2 LYS 10 HB2 LYS 10 15.492 -1.451 5.036 94 HB3 LYS 10 HB1 LYS 10 16.631 -0.721 6.170 95 HG2 LYS 10 HG2 LYS 10 15.373 1.514 5.472 96 HG3 LYS 10 HG1 LYS 10 14.074 0.394 5.059 97 HD2 LYS 10 HD2 LYS 10 15.464 0.556 7.762 98 HD3 LYS 10 HD1 LYS 10 13.861 1.190 7.394 99 HE2 LYS 10 HE2 LYS 10 13.168 -1.141 6.722 100 HE3 LYS 10 HE1 LYS 10 14.725 -1.710 7.321 101 HZ1 LYS 10 HZ1 LYS 10 12.432 -0.666 8.806 102 HZ2 LYS 10 HZ2 LYS 10 13.983 -0.372 9.431 103 HZ3 LYS 10 HZ3 LYS 10 13.455 -1.966 9.172 104 H LYS 11 HN LYS 11 16.826 -2.143 2.707 105 HA LYS 11 HA LYS 11 19.316 -3.225 3.700 106 HB2 LYS 11 HB2 LYS 11 17.153 -4.298 1.901 107 HB3 LYS 11 HB1 LYS 11 18.669 -5.156 2.165 108 HG2 LYS 11 HG2 LYS 11 17.307 -6.088 3.819 109 HG3 LYS 11 HG1 LYS 11 18.112 -4.798 4.709 110 HD2 LYS 11 HD2 LYS 11 16.063 -3.357 3.898 111 HD3 LYS 11 HD1 LYS 11 15.291 -4.929 3.695 112 HE2 LYS 11 HE2 LYS 11 16.427 -5.224 6.167 113 HE3 LYS 11 HE1 LYS 11 16.046 -3.502 6.181 114 HZ1 LYS 11 HZ1 LYS 11 14.271 -5.798 6.105 115 HZ2 LYS 11 HZ2 LYS 11 13.807 -4.474 5.155 116 HZ3 LYS 11 HZ3 LYS 11 14.047 -4.282 6.826 117 H LEU 12 HN LEU 12 17.969 -1.815 0.793 118 HA LEU 12 HA LEU 12 20.164 -2.495 -0.930 119 HB2 LEU 12 HB2 LEU 12 17.869 -0.566 -1.120 120 HB3 LEU 12 HB1 LEU 12 19.134 -0.600 -2.344 121 HG LEU 12 HG LEU 12 17.934 -3.223 -1.564 122 HD11 LEU 12 HD11 LEU 12 16.081 -2.856 -3.211 123 HD12 LEU 12 HD12 LEU 12 16.513 -1.148 -3.262 124 HD13 LEU 12 HD13 LEU 12 15.929 -1.865 -1.761 125 HD21 LEU 12 HD21 LEU 12 18.844 -1.921 -4.147 126 HD22 LEU 12 HD22 LEU 12 18.191 -3.554 -4.040 127 HD23 LEU 12 HD23 LEU 12 19.703 -3.159 -3.226 128 H ARG 13 HN ARG 13 19.419 0.226 1.161 129 HA ARG 13 HA ARG 13 21.224 2.084 0.100 130 HB2 ARG 13 HB2 ARG 13 21.064 3.216 2.286 131 HB3 ARG 13 HB1 ARG 13 19.488 2.739 1.650 132 HG2 ARG 13 HG2 ARG 13 19.183 1.797 3.694 133 HG3 ARG 13 HG1 ARG 13 20.201 0.502 3.069 134 HD2 ARG 13 HD2 ARG 13 21.100 1.224 5.190 135 HD3 ARG 13 HD1 ARG 13 22.203 1.741 3.925 136 HE ARG 13 HE ARG 13 20.359 3.817 4.387 137 HH11 ARG 13 HH11 ARG 13 21.001 5.598 5.620 138 HH12 ARG 13 HH12 ARG 13 22.328 5.455 6.723 139 HH21 ARG 13 HH21 ARG 13 22.912 2.117 6.018 140 HH22 ARG 13 HH22 ARG 13 23.413 3.492 6.943 141 H LEU 14 HN LEU 14 21.792 -0.338 2.669 142 HA LEU 14 HA LEU 14 24.364 0.594 3.329 143 HB2 LEU 14 HB2 LEU 14 24.726 -1.793 4.152 144 HB3 LEU 14 HB1 LEU 14 23.384 -0.897 4.861 145 HG LEU 14 HG LEU 14 22.312 -2.128 2.576 146 HD11 LEU 14 HD11 LEU 14 22.859 -4.547 3.127 147 HD12 LEU 14 HD12 LEU 14 24.204 -3.936 4.091 148 HD13 LEU 14 HD13 LEU 14 24.152 -3.634 2.353 149 HD21 LEU 14 HD21 LEU 14 21.179 -3.563 4.353 150 HD22 LEU 14 HD22 LEU 14 21.054 -1.823 4.595 151 HD23 LEU 14 HD23 LEU 14 22.212 -2.759 5.536 152 H LYS 15 HN LYS 15 23.317 -0.894 0.454 153 HA LYS 15 HA LYS 15 25.902 -2.104 -0.151 154 HB2 LYS 15 HB2 LYS 15 23.319 -1.815 -1.694 155 HB3 LYS 15 HB1 LYS 15 24.800 -2.403 -2.455 156 HG2 LYS 15 HG2 LYS 15 24.079 -4.441 -1.738 157 HG3 LYS 15 HG1 LYS 15 24.756 -3.933 -0.191 158 HD2 LYS 15 HD2 LYS 15 22.573 -3.026 0.484 159 HD3 LYS 15 HD1 LYS 15 21.877 -3.515 -1.062 160 HE2 LYS 15 HE2 LYS 15 22.936 -5.290 1.144 161 HE3 LYS 15 HE1 LYS 15 21.296 -5.230 0.500 162 HZ1 LYS 15 HZ1 LYS 15 23.645 -6.563 -0.533 163 HZ2 LYS 15 HZ2 LYS 15 22.710 -5.756 -1.703 164 HZ3 LYS 15 HZ3 LYS 15 22.006 -6.944 -0.724 165 H ILE 16 HN ILE 16 24.001 0.729 -1.097 166 HA ILE 16 HA ILE 16 26.132 1.638 -2.850 167 HB ILE 16 HB ILE 16 24.473 2.621 -3.957 168 HG12 ILE 16 HG12 ILE 16 24.855 4.543 -2.275 169 HG13 ILE 16 HG11 ILE 16 23.331 4.537 -3.151 170 HG21 ILE 16 HG21 ILE 16 23.143 0.725 -3.071 171 HG22 ILE 16 HG22 ILE 16 22.160 2.154 -3.387 172 HG23 ILE 16 HG23 ILE 16 22.614 1.747 -1.734 173 HD11 ILE 16 HD11 ILE 16 23.308 3.009 -0.630 174 HD12 ILE 16 HD12 ILE 16 22.104 4.116 -1.281 175 HD13 ILE 16 HD13 ILE 16 23.520 4.746 -0.438 176 H ALA 17 HN ALA 17 24.948 2.183 0.340 177 HA ALA 17 HA ALA 17 26.396 4.695 0.656 178 HB1 ALA 17 HB1 ALA 17 24.713 3.002 2.498 179 HB2 ALA 17 HB2 ALA 17 24.389 4.632 1.906 180 HB3 ALA 17 HB3 ALA 17 25.660 4.360 3.099 181 H PHE 18 HN PHE 18 27.596 1.818 0.223 182 HA PHE 18 HA PHE 18 29.391 1.785 2.564 183 HB2 PHE 18 HB2 PHE 18 28.117 -0.294 1.227 184 HB3 PHE 18 HB1 PHE 18 29.774 -0.370 0.631 185 HD1 PHE 18 HD1 PHE 18 27.634 -0.517 3.630 186 HD2 PHE 18 HD2 PHE 18 31.630 -0.843 2.101 187 HE1 PHE 18 HE1 PHE 18 28.373 -1.508 5.783 188 HE2 PHE 18 HE2 PHE 18 32.374 -1.827 4.249 189 HZ PHE 18 HZ PHE 18 30.746 -2.165 6.090 190 H LYS 19 HN LYS 19 29.306 3.154 -0.420 191 HA LYS 19 HA LYS 19 32.192 3.469 -0.463 192 HB2 LYS 19 HB2 LYS 19 32.670 2.490 -2.478 193 HB3 LYS 19 HB1 LYS 19 31.390 1.414 -1.930 194 HG2 LYS 19 HG2 LYS 19 30.866 3.831 -3.676 195 HG3 LYS 19 HG1 LYS 19 31.170 2.231 -4.328 196 HD2 LYS 19 HD2 LYS 19 28.985 2.828 -2.330 197 HD3 LYS 19 HD1 LYS 19 28.734 2.821 -4.071 198 HE2 LYS 19 HE2 LYS 19 29.426 0.531 -2.262 199 HE3 LYS 19 HE1 LYS 19 28.142 0.645 -3.463 200 HZ1 LYS 19 HZ1 LYS 19 30.249 0.944 -5.025 201 HZ2 LYS 19 HZ2 LYS 19 29.605 -0.581 -4.646 202 HZ3 LYS 19 HZ3 LYS 19 30.963 0.002 -3.806 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 2.644 -0.060 -3.397 2 H3 PRO 1 HT2 PRO 1 1.416 1.087 -3.657 3 HA PRO 1 HA PRO 1 2.199 2.474 -2.131 4 HB2 PRO 1 HB2 PRO 1 3.275 0.444 -0.263 5 HB3 PRO 1 HB1 PRO 1 2.205 1.823 0.059 6 HG2 PRO 1 HG2 PRO 1 1.406 -0.795 -0.082 7 HG3 PRO 1 HG1 PRO 1 0.347 0.602 -0.295 8 HD2 PRO 1 HD2 PRO 1 1.212 -1.340 -2.301 9 HD3 PRO 1 HD1 PRO 1 -0.022 -0.076 -2.444 10 H MET 2 HN MET 2 3.908 3.276 -3.293 11 HA MET 2 HA MET 2 6.252 1.938 -4.036 12 HB2 MET 2 HB2 MET 2 7.242 4.316 -4.057 13 HB3 MET 2 HB1 MET 2 5.857 4.011 -5.100 14 HG2 MET 2 HG2 MET 2 5.392 5.008 -2.301 15 HG3 MET 2 HG1 MET 2 5.888 6.145 -3.559 16 HE1 MET 2 HE1 MET 2 3.433 5.332 -1.628 17 HE2 MET 2 HE2 MET 2 1.878 5.330 -2.455 18 HE3 MET 2 HE3 MET 2 2.845 6.802 -2.405 19 H ALA 3 HN ALA 3 5.141 2.939 -1.006 20 HA ALA 3 HA ALA 3 7.453 3.580 0.408 21 HB1 ALA 3 HB1 ALA 3 6.112 2.327 2.316 22 HB2 ALA 3 HB2 ALA 3 4.824 2.335 1.114 23 HB3 ALA 3 HB3 ALA 3 5.524 3.856 1.666 24 H ARG 4 HN ARG 4 6.411 0.611 -0.985 25 HA ARG 4 HA ARG 4 7.687 -1.299 0.591 26 HB2 ARG 4 HB2 ARG 4 7.814 -2.667 -1.468 27 HB3 ARG 4 HB1 ARG 4 6.232 -1.908 -1.295 28 HG2 ARG 4 HG2 ARG 4 7.061 -0.040 -2.803 29 HG3 ARG 4 HG1 ARG 4 8.511 -1.006 -3.084 30 HD2 ARG 4 HD2 ARG 4 6.784 -2.904 -3.680 31 HD3 ARG 4 HD1 ARG 4 5.683 -1.554 -3.947 32 HE ARG 4 HE ARG 4 8.104 -1.034 -5.306 33 HH11 ARG 4 HH11 ARG 4 8.180 -1.400 -7.535 34 HH12 ARG 4 HH12 ARG 4 7.028 -2.449 -8.286 35 HH21 ARG 4 HH21 ARG 4 5.385 -3.200 -5.323 36 HH22 ARG 4 HH22 ARG 4 5.444 -3.476 -7.033 37 H ASN 5 HN ASN 5 8.958 1.005 -1.711 38 HA ASN 5 HA ASN 5 11.522 -0.114 -2.100 39 HB2 ASN 5 HB2 ASN 5 11.247 1.587 -3.599 40 HB3 ASN 5 HB1 ASN 5 10.229 2.522 -2.507 41 HD21 ASN 5 HD21 ASN 5 13.362 2.370 -3.848 42 HD22 ASN 5 HD22 ASN 5 14.110 3.488 -2.814 43 H LYS 6 HN LYS 6 10.265 2.224 0.253 44 HA LYS 6 HA LYS 6 12.690 2.715 1.588 45 HB2 LYS 6 HB2 LYS 6 9.866 2.804 2.665 46 HB3 LYS 6 HB1 LYS 6 11.278 3.534 3.435 47 HG2 LYS 6 HG2 LYS 6 10.509 4.199 0.584 48 HG3 LYS 6 HG1 LYS 6 9.828 5.078 1.952 49 HD2 LYS 6 HD2 LYS 6 11.992 5.847 2.657 50 HD3 LYS 6 HD1 LYS 6 12.814 4.750 1.547 51 HE2 LYS 6 HE2 LYS 6 10.991 7.018 0.686 52 HE3 LYS 6 HE1 LYS 6 12.750 7.110 0.716 53 HZ1 LYS 6 HZ1 LYS 6 12.168 4.801 -0.664 54 HZ2 LYS 6 HZ2 LYS 6 12.702 6.275 -1.319 55 HZ3 LYS 6 HZ3 LYS 6 11.041 5.938 -1.224 56 H LYS 7 HN LYS 7 10.302 0.157 1.950 57 HA LYS 7 HA LYS 7 11.266 -0.899 4.401 58 HB2 LYS 7 HB2 LYS 7 10.118 -2.731 2.330 59 HB3 LYS 7 HB1 LYS 7 9.829 -2.677 4.067 60 HG2 LYS 7 HG2 LYS 7 8.788 -0.709 2.011 61 HG3 LYS 7 HG1 LYS 7 7.840 -1.897 2.880 62 HD2 LYS 7 HD2 LYS 7 9.434 0.139 4.419 63 HD3 LYS 7 HD1 LYS 7 7.886 0.599 3.714 64 HE2 LYS 7 HE2 LYS 7 8.468 -1.253 5.972 65 HE3 LYS 7 HE1 LYS 7 7.115 -0.153 5.735 66 HZ1 LYS 7 HZ1 LYS 7 7.519 -2.817 4.528 67 HZ2 LYS 7 HZ2 LYS 7 6.361 -1.724 3.939 68 HZ3 LYS 7 HZ3 LYS 7 6.249 -2.316 5.528 69 H LEU 8 HN LEU 8 12.054 -1.567 1.017 70 HA LEU 8 HA LEU 8 14.087 -3.520 1.753 71 HB2 LEU 8 HB2 LEU 8 13.281 -2.317 -0.906 72 HB3 LEU 8 HB1 LEU 8 14.529 -3.547 -0.716 73 HG LEU 8 HG LEU 8 12.159 -4.376 0.707 74 HD11 LEU 8 HD11 LEU 8 10.536 -3.555 -0.629 75 HD12 LEU 8 HD12 LEU 8 11.118 -4.689 -1.843 76 HD13 LEU 8 HD13 LEU 8 11.690 -3.023 -1.851 77 HD21 LEU 8 HD21 LEU 8 14.154 -5.659 -0.427 78 HD22 LEU 8 HD22 LEU 8 13.142 -5.584 -1.867 79 HD23 LEU 8 HD23 LEU 8 12.549 -6.390 -0.415 80 H LEU 9 HN LEU 9 13.845 -0.133 1.015 81 HA LEU 9 HA LEU 9 16.427 0.448 0.153 82 HB2 LEU 9 HB2 LEU 9 14.469 2.053 0.313 83 HB3 LEU 9 HB1 LEU 9 14.832 2.199 2.033 84 HG LEU 9 HG LEU 9 17.216 2.809 1.347 85 HD11 LEU 9 HD11 LEU 9 17.754 2.644 -0.840 86 HD12 LEU 9 HD12 LEU 9 16.563 3.890 -1.209 87 HD13 LEU 9 HD13 LEU 9 16.096 2.192 -1.235 88 HD21 LEU 9 HD21 LEU 9 15.686 4.524 2.118 89 HD22 LEU 9 HD22 LEU 9 14.874 4.561 0.554 90 HD23 LEU 9 HD23 LEU 9 16.532 5.149 0.701 91 H LYS 10 HN LYS 10 15.243 -0.216 3.400 92 HA LYS 10 HA LYS 10 17.459 0.717 4.860 93 HB2 LYS 10 HB2 LYS 10 15.832 -1.762 5.483 94 HB3 LYS 10 HB1 LYS 10 16.761 -0.785 6.622 95 HG2 LYS 10 HG2 LYS 10 15.190 0.914 6.655 96 HG3 LYS 10 HG1 LYS 10 14.642 0.587 5.015 97 HD2 LYS 10 HD2 LYS 10 12.881 -0.099 6.495 98 HD3 LYS 10 HD1 LYS 10 13.641 -1.562 5.875 99 HE2 LYS 10 HE2 LYS 10 13.633 -2.103 8.104 100 HE3 LYS 10 HE1 LYS 10 15.166 -1.233 8.052 101 HZ1 LYS 10 HZ1 LYS 10 12.541 -0.299 9.023 102 HZ2 LYS 10 HZ2 LYS 10 13.728 0.812 8.536 103 HZ3 LYS 10 HZ3 LYS 10 14.044 -0.263 9.813 104 H LYS 11 HN LYS 11 16.951 -2.171 2.965 105 HA LYS 11 HA LYS 11 19.469 -3.334 3.800 106 HB2 LYS 11 HB2 LYS 11 17.226 -4.273 2.016 107 HB3 LYS 11 HB1 LYS 11 18.762 -5.135 2.130 108 HG2 LYS 11 HG2 LYS 11 17.043 -6.046 3.698 109 HG3 LYS 11 HG1 LYS 11 18.468 -5.435 4.533 110 HD2 LYS 11 HD2 LYS 11 17.325 -3.369 5.111 111 HD3 LYS 11 HD1 LYS 11 15.931 -3.820 4.130 112 HE2 LYS 11 HE2 LYS 11 16.895 -5.140 6.683 113 HE3 LYS 11 HE1 LYS 11 15.372 -4.278 6.427 114 HZ1 LYS 11 HZ1 LYS 11 14.716 -6.450 6.179 115 HZ2 LYS 11 HZ2 LYS 11 16.189 -6.952 5.503 116 HZ3 LYS 11 HZ3 LYS 11 15.081 -6.069 4.570 117 H LEU 12 HN LEU 12 17.923 -1.981 0.921 118 HA LEU 12 HA LEU 12 20.120 -2.404 -0.825 119 HB2 LEU 12 HB2 LEU 12 17.987 -0.267 -1.036 120 HB3 LEU 12 HB1 LEU 12 19.005 -0.871 -2.340 121 HG LEU 12 HG LEU 12 16.884 -2.418 -0.820 122 HD11 LEU 12 HD11 LEU 12 15.865 -2.638 -3.055 123 HD12 LEU 12 HD12 LEU 12 17.175 -1.679 -3.748 124 HD13 LEU 12 HD13 LEU 12 16.047 -0.943 -2.608 125 HD21 LEU 12 HD21 LEU 12 17.591 -4.140 -2.719 126 HD22 LEU 12 HD22 LEU 12 18.437 -4.104 -1.170 127 HD23 LEU 12 HD23 LEU 12 19.140 -3.309 -2.578 128 H ARG 13 HN ARG 13 19.382 0.143 1.485 129 HA ARG 13 HA ARG 13 21.053 2.140 0.436 130 HB2 ARG 13 HB2 ARG 13 21.077 3.053 2.763 131 HB3 ARG 13 HB1 ARG 13 19.468 2.702 2.141 132 HG2 ARG 13 HG2 ARG 13 19.118 1.452 3.971 133 HG3 ARG 13 HG1 ARG 13 20.310 0.310 3.348 134 HD2 ARG 13 HD2 ARG 13 22.101 1.729 4.439 135 HD3 ARG 13 HD1 ARG 13 20.814 2.667 5.186 136 HE ARG 13 HE ARG 13 20.352 -0.041 5.781 137 HH11 ARG 13 HH11 ARG 13 20.980 -0.846 7.817 138 HH12 ARG 13 HH12 ARG 13 22.199 -0.026 8.739 139 HH21 ARG 13 HH21 ARG 13 22.671 2.485 6.381 140 HH22 ARG 13 HH22 ARG 13 23.156 1.867 7.926 141 H LEU 14 HN LEU 14 21.827 -0.533 2.678 142 HA LEU 14 HA LEU 14 24.421 0.335 3.316 143 HB2 LEU 14 HB2 LEU 14 23.516 -2.533 2.991 144 HB3 LEU 14 HB1 LEU 14 24.896 -1.960 3.928 145 HG LEU 14 HG LEU 14 22.673 -0.464 4.825 146 HD11 LEU 14 HD11 LEU 14 21.192 -2.122 3.819 147 HD12 LEU 14 HD12 LEU 14 21.145 -2.277 5.572 148 HD13 LEU 14 HD13 LEU 14 22.071 -3.427 4.610 149 HD21 LEU 14 HD21 LEU 14 23.119 -1.646 6.941 150 HD22 LEU 14 HD22 LEU 14 24.633 -1.195 6.156 151 HD23 LEU 14 HD23 LEU 14 24.054 -2.860 6.073 152 H LYS 15 HN LYS 15 23.183 -0.888 0.350 153 HA LYS 15 HA LYS 15 25.793 -1.755 -0.604 154 HB2 LYS 15 HB2 LYS 15 23.068 -1.605 -1.908 155 HB3 LYS 15 HB1 LYS 15 24.524 -2.103 -2.771 156 HG2 LYS 15 HG2 LYS 15 23.745 -4.169 -2.041 157 HG3 LYS 15 HG1 LYS 15 24.820 -3.734 -0.711 158 HD2 LYS 15 HD2 LYS 15 22.724 -2.654 0.362 159 HD3 LYS 15 HD1 LYS 15 21.805 -3.594 -0.814 160 HE2 LYS 15 HE2 LYS 15 23.801 -4.729 1.174 161 HE3 LYS 15 HE1 LYS 15 22.045 -4.818 1.325 162 HZ1 LYS 15 HZ1 LYS 15 23.806 -6.177 -0.611 163 HZ2 LYS 15 HZ2 LYS 15 22.178 -5.895 -0.998 164 HZ3 LYS 15 HZ3 LYS 15 22.583 -6.828 0.360 165 H ILE 16 HN ILE 16 23.548 0.945 -1.147 166 HA ILE 16 HA ILE 16 25.492 2.190 -2.934 167 HB ILE 16 HB ILE 16 23.713 2.928 -4.040 168 HG12 ILE 16 HG12 ILE 16 23.675 4.861 -2.401 169 HG13 ILE 16 HG11 ILE 16 22.121 4.495 -3.143 170 HG21 ILE 16 HG21 ILE 16 22.774 0.765 -3.133 171 HG22 ILE 16 HG22 ILE 16 21.580 1.952 -3.657 172 HG23 ILE 16 HG23 ILE 16 21.911 1.734 -1.940 173 HD11 ILE 16 HD11 ILE 16 22.610 4.686 -0.411 174 HD12 ILE 16 HD12 ILE 16 22.552 2.947 -0.709 175 HD13 ILE 16 HD13 ILE 16 21.190 3.964 -1.168 176 H ALA 17 HN ALA 17 24.334 2.427 0.297 177 HA ALA 17 HA ALA 17 25.159 5.199 0.635 178 HB1 ALA 17 HB1 ALA 17 24.466 3.291 2.857 179 HB2 ALA 17 HB2 ALA 17 23.218 4.042 1.861 180 HB3 ALA 17 HB3 ALA 17 24.302 5.046 2.820 181 H PHE 18 HN PHE 18 26.791 2.295 0.487 182 HA PHE 18 HA PHE 18 28.862 3.241 2.371 183 HB2 PHE 18 HB2 PHE 18 27.763 0.600 1.846 184 HB3 PHE 18 HB1 PHE 18 29.508 0.628 1.622 185 HD1 PHE 18 HD1 PHE 18 27.350 2.595 3.983 186 HD2 PHE 18 HD2 PHE 18 30.444 -0.353 3.525 187 HE1 PHE 18 HE1 PHE 18 27.714 2.593 6.435 188 HE2 PHE 18 HE2 PHE 18 30.805 -0.350 5.977 189 HZ PHE 18 HZ PHE 18 29.444 1.124 7.433 190 H LYS 19 HN LYS 19 28.096 2.407 -0.887 191 HA LYS 19 HA LYS 19 30.327 3.752 -1.956 192 HB2 LYS 19 HB2 LYS 19 31.576 1.910 -2.930 193 HB3 LYS 19 HB1 LYS 19 31.546 1.761 -1.177 194 HG2 LYS 19 HG2 LYS 19 29.340 0.409 -2.633 195 HG3 LYS 19 HG1 LYS 19 30.943 -0.292 -2.832 196 HD2 LYS 19 HD2 LYS 19 29.700 0.362 -0.165 197 HD3 LYS 19 HD1 LYS 19 29.657 -1.227 -0.903 198 HE2 LYS 19 HE2 LYS 19 32.050 0.305 0.085 199 HE3 LYS 19 HE1 LYS 19 31.532 -1.321 0.515 200 HZ1 LYS 19 HZ1 LYS 19 32.886 -0.389 -1.923 201 HZ2 LYS 19 HZ2 LYS 19 31.893 -1.766 -1.993 202 HZ3 LYS 19 HZ3 LYS 19 33.228 -1.732 -0.944
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