NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642360 | 6csk | 30439 | 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 12.777 6.038 0.708 2 H3 PRO 1 HT2 PRO 1 13.926 5.792 1.836 3 HA PRO 1 HA PRO 1 14.314 4.509 -0.076 4 HB2 PRO 1 HB2 PRO 1 13.333 2.403 1.739 5 HB3 PRO 1 HB1 PRO 1 14.959 2.679 1.083 6 HG2 PRO 1 HG2 PRO 1 14.409 3.285 3.617 7 HG3 PRO 1 HG1 PRO 1 15.463 4.321 2.642 8 HD2 PRO 1 HD2 PRO 1 12.643 4.654 3.433 9 HD3 PRO 1 HD1 PRO 1 13.877 5.889 3.363 10 H MET 2 HN MET 2 13.574 3.351 -1.751 11 HA MET 2 HA MET 2 10.890 3.630 -2.500 12 HB2 MET 2 HB2 MET 2 12.800 3.545 -4.054 13 HB3 MET 2 HB1 MET 2 13.031 1.852 -3.667 14 HG2 MET 2 HG2 MET 2 11.920 2.109 -5.802 15 HG3 MET 2 HG1 MET 2 10.850 1.329 -4.640 16 HE1 MET 2 HE1 MET 2 10.100 2.788 -7.493 17 HE2 MET 2 HE2 MET 2 8.561 3.527 -7.052 18 HE3 MET 2 HE3 MET 2 8.931 1.884 -6.529 19 H LYS 3 HN LYS 3 12.697 0.860 -1.290 20 HA LYS 3 HA LYS 3 10.680 -1.064 -1.711 21 HB2 LYS 3 HB2 LYS 3 12.960 -1.054 0.261 22 HB3 LYS 3 HB1 LYS 3 11.978 -2.463 -0.123 23 HG2 LYS 3 HG2 LYS 3 12.730 -2.390 -2.435 24 HG3 LYS 3 HG1 LYS 3 13.684 -0.952 -2.106 25 HD2 LYS 3 HD2 LYS 3 14.092 -3.670 -0.850 26 HD3 LYS 3 HD1 LYS 3 15.053 -2.994 -2.163 27 HE2 LYS 3 HE2 LYS 3 15.768 -1.166 -0.699 28 HE3 LYS 3 HE1 LYS 3 14.807 -1.842 0.617 29 HZ1 LYS 3 HZ1 LYS 3 17.085 -2.435 0.845 30 HZ2 LYS 3 HZ2 LYS 3 17.139 -3.116 -0.693 31 HZ3 LYS 3 HZ3 LYS 3 16.192 -3.821 0.515 32 H LEU 4 HN LEU 4 11.292 1.139 0.912 33 HA LEU 4 HA LEU 4 9.274 -0.016 2.605 34 HB2 LEU 4 HB2 LEU 4 10.738 2.613 2.788 35 HB3 LEU 4 HB1 LEU 4 9.566 2.071 3.969 36 HG LEU 4 HG LEU 4 12.183 0.719 3.337 37 HD11 LEU 4 HD11 LEU 4 12.467 2.824 4.524 38 HD12 LEU 4 HD12 LEU 4 12.837 1.454 5.570 39 HD13 LEU 4 HD13 LEU 4 11.300 2.305 5.740 40 HD21 LEU 4 HD21 LEU 4 10.080 0.073 5.405 41 HD22 LEU 4 HD22 LEU 4 11.677 -0.662 5.314 42 HD23 LEU 4 HD23 LEU 4 10.520 -0.921 4.012 43 H LEU 5 HN LEU 5 9.412 2.449 0.169 44 HA LEU 5 HA LEU 5 6.915 3.639 0.772 45 HB2 LEU 5 HB2 LEU 5 8.407 3.532 -1.846 46 HB3 LEU 5 HB1 LEU 5 6.989 4.515 -1.553 47 HG LEU 5 HG LEU 5 9.688 4.818 -0.244 48 HD11 LEU 5 HD11 LEU 5 8.186 6.555 -2.184 49 HD12 LEU 5 HD12 LEU 5 9.628 5.600 -2.529 50 HD13 LEU 5 HD13 LEU 5 9.716 6.963 -1.412 51 HD21 LEU 5 HD21 LEU 5 7.142 6.382 0.177 52 HD22 LEU 5 HD22 LEU 5 8.732 6.839 0.783 53 HD23 LEU 5 HD23 LEU 5 7.961 5.367 1.370 54 H LYS 6 HN LYS 6 7.852 0.821 -0.977 55 HA LYS 6 HA LYS 6 5.417 0.238 -2.284 56 HB2 LYS 6 HB2 LYS 6 7.425 -1.681 -1.086 57 HB3 LYS 6 HB1 LYS 6 6.163 -2.114 -2.223 58 HG2 LYS 6 HG2 LYS 6 8.496 -0.294 -2.785 59 HG3 LYS 6 HG1 LYS 6 8.356 -1.981 -3.281 60 HD2 LYS 6 HD2 LYS 6 6.317 -1.369 -4.560 61 HD3 LYS 6 HD1 LYS 6 6.613 0.317 -4.146 62 HE2 LYS 6 HE2 LYS 6 7.495 -0.102 -6.355 63 HE3 LYS 6 HE1 LYS 6 8.828 0.152 -5.234 64 HZ1 LYS 6 HZ1 LYS 6 7.864 -2.513 -6.126 65 HZ2 LYS 6 HZ2 LYS 6 9.217 -2.197 -5.150 66 HZ3 LYS 6 HZ3 LYS 6 9.205 -1.698 -6.744 67 H ARG 7 HN ARG 7 6.665 -0.507 0.897 68 HA ARG 7 HA ARG 7 4.468 -2.069 1.813 69 HB2 ARG 7 HB2 ARG 7 6.522 -0.540 3.425 70 HB3 ARG 7 HB1 ARG 7 5.484 -1.820 4.030 71 HG2 ARG 7 HG2 ARG 7 7.587 -2.165 1.895 72 HG3 ARG 7 HG1 ARG 7 7.805 -2.561 3.596 73 HD2 ARG 7 HD2 ARG 7 5.764 -3.811 1.742 74 HD3 ARG 7 HD1 ARG 7 7.284 -4.549 2.242 75 HE ARG 7 HE ARG 7 5.681 -3.762 4.451 76 HH11 ARG 7 HH11 ARG 7 6.136 -6.380 2.089 77 HH12 ARG 7 HH12 ARG 7 5.435 -7.565 3.084 78 HH21 ARG 7 HH21 ARG 7 4.703 -5.410 5.793 79 HH22 ARG 7 HH22 ARG 7 4.605 -7.009 5.214 80 H LEU 8 HN LEU 8 5.299 1.315 1.971 81 HA LEU 8 HA LEU 8 3.192 2.157 3.676 82 HB2 LEU 8 HB2 LEU 8 5.227 3.491 3.247 83 HB3 LEU 8 HB1 LEU 8 4.753 3.670 1.575 84 HG LEU 8 HG LEU 8 2.790 4.996 2.298 85 HD11 LEU 8 HD11 LEU 8 4.027 4.787 5.038 86 HD12 LEU 8 HD12 LEU 8 2.505 4.058 4.525 87 HD13 LEU 8 HD13 LEU 8 2.664 5.813 4.589 88 HD21 LEU 8 HD21 LEU 8 4.046 6.998 2.920 89 HD22 LEU 8 HD22 LEU 8 4.869 6.099 1.645 90 HD23 LEU 8 HD23 LEU 8 5.447 6.002 3.308 91 H GLY 9 HN GLY 9 3.649 2.244 0.168 92 HA2 GLY 9 HA2 GLY 9 1.189 3.356 -0.531 93 HA3 GLY 9 HA1 GLY 9 2.223 2.407 -1.585 94 H LYS 10 HN LYS 10 2.124 -0.001 -0.068 95 HA LYS 10 HA LYS 10 -0.111 -1.238 -1.139 96 HB2 LYS 10 HB2 LYS 10 1.916 -2.440 -0.412 97 HB3 LYS 10 HB1 LYS 10 1.498 -2.124 1.264 98 HG2 LYS 10 HG2 LYS 10 -0.503 -3.483 1.049 99 HG3 LYS 10 HG1 LYS 10 -0.155 -3.748 -0.660 100 HD2 LYS 10 HD2 LYS 10 1.930 -4.880 -0.054 101 HD3 LYS 10 HD1 LYS 10 1.570 -4.628 1.656 102 HE2 LYS 10 HE2 LYS 10 -0.448 -5.969 1.439 103 HE3 LYS 10 HE1 LYS 10 -0.136 -6.190 -0.280 104 HZ1 LYS 10 HZ1 LYS 10 1.882 -7.405 0.271 105 HZ2 LYS 10 HZ2 LYS 10 0.556 -8.098 1.074 106 HZ3 LYS 10 HZ3 LYS 10 1.622 -7.129 1.914 107 H LYS 11 HN LYS 11 0.362 -0.002 2.159 108 HA LYS 11 HA LYS 11 -2.214 -0.854 3.039 109 HB2 LYS 11 HB2 LYS 11 -0.281 1.134 4.227 110 HB3 LYS 11 HB1 LYS 11 -1.802 0.695 4.992 111 HG2 LYS 11 HG2 LYS 11 -1.048 -1.656 5.064 112 HG3 LYS 11 HG1 LYS 11 0.506 -1.151 4.399 113 HD2 LYS 11 HD2 LYS 11 -0.668 -0.105 6.978 114 HD3 LYS 11 HD1 LYS 11 0.469 -1.445 6.890 115 HE2 LYS 11 HE2 LYS 11 1.004 1.365 5.915 116 HE3 LYS 11 HE1 LYS 11 1.546 0.701 7.455 117 HZ1 LYS 11 HZ1 LYS 11 2.796 -0.977 6.196 118 HZ2 LYS 11 HZ2 LYS 11 3.305 0.578 5.915 119 HZ3 LYS 11 HZ3 LYS 11 2.383 -0.214 4.744 120 H ILE 12 HN ILE 12 -0.950 2.118 1.726 121 HA ILE 12 HA ILE 12 -3.271 3.659 2.177 122 HB ILE 12 HB ILE 12 -1.093 4.052 0.096 123 HG12 ILE 12 HG12 ILE 12 -1.461 5.294 2.837 124 HG13 ILE 12 HG11 ILE 12 -0.285 4.052 2.434 125 HG21 ILE 12 HG21 ILE 12 -1.863 6.395 0.017 126 HG22 ILE 12 HG22 ILE 12 -3.196 5.984 1.095 127 HG23 ILE 12 HG23 ILE 12 -3.115 5.272 -0.517 128 HD11 ILE 12 HD11 ILE 12 0.746 6.248 2.560 129 HD12 ILE 12 HD12 ILE 12 -0.357 6.852 1.324 130 HD13 ILE 12 HD13 ILE 12 0.831 5.613 0.916 131 H ARG 13 HN ARG 13 -2.166 1.821 -0.671 132 HA ARG 13 HA ARG 13 -4.469 2.554 -2.173 133 HB2 ARG 13 HB2 ARG 13 -3.700 1.130 -3.921 134 HB3 ARG 13 HB1 ARG 13 -2.288 1.886 -3.219 135 HG2 ARG 13 HG2 ARG 13 -1.723 -0.138 -2.043 136 HG3 ARG 13 HG1 ARG 13 -3.205 -0.913 -2.601 137 HD2 ARG 13 HD2 ARG 13 -0.891 0.013 -4.307 138 HD3 ARG 13 HD1 ARG 13 -1.338 -1.656 -3.958 139 HE ARG 13 HE ARG 13 -3.295 0.044 -5.320 140 HH11 ARG 13 HH11 ARG 13 -1.110 -2.733 -5.519 141 HH12 ARG 13 HH12 ARG 13 -1.628 -3.172 -7.082 142 HH21 ARG 13 HH21 ARG 13 -3.967 -0.551 -7.418 143 HH22 ARG 13 HH22 ARG 13 -3.295 -1.911 -8.206 144 H LEU 14 HN LEU 14 -3.755 -0.075 -0.004 145 HA LEU 14 HA LEU 14 -5.922 -1.722 -0.759 146 HB2 LEU 14 HB2 LEU 14 -4.014 -2.496 0.617 147 HB3 LEU 14 HB1 LEU 14 -4.566 -1.477 1.929 148 HG LEU 14 HG LEU 14 -6.645 -2.822 2.057 149 HD11 LEU 14 HD11 LEU 14 -5.258 -4.577 0.052 150 HD12 LEU 14 HD12 LEU 14 -6.707 -3.612 -0.233 151 HD13 LEU 14 HD13 LEU 14 -6.753 -4.954 0.908 152 HD21 LEU 14 HD21 LEU 14 -4.092 -4.399 2.289 153 HD22 LEU 14 HD22 LEU 14 -5.623 -4.775 3.080 154 HD23 LEU 14 HD23 LEU 14 -4.748 -3.305 3.507 155 H ALA 15 HN ALA 15 -5.525 0.884 1.559 156 HA ALA 15 HA ALA 15 -8.160 0.761 2.613 157 HB1 ALA 15 HB1 ALA 15 -6.298 1.821 3.816 158 HB2 ALA 15 HB2 ALA 15 -7.645 2.938 3.596 159 HB3 ALA 15 HB3 ALA 15 -6.213 3.070 2.574 160 H ALA 16 HN ALA 16 -6.673 2.283 -0.112 161 HA ALA 16 HA ALA 16 -8.767 4.070 -0.756 162 HB1 ALA 16 HB1 ALA 16 -6.710 2.865 -2.596 163 HB2 ALA 16 HB2 ALA 16 -6.475 4.303 -1.611 164 HB3 ALA 16 HB3 ALA 16 -7.673 4.311 -2.910 165 H ALA 17 HN ALA 17 -7.976 0.801 -1.799 166 HA ALA 17 HA ALA 17 -10.176 0.576 -3.602 167 HB1 ALA 17 HB1 ALA 17 -8.125 -0.723 -3.899 168 HB2 ALA 17 HB2 ALA 17 -9.534 -1.775 -3.765 169 HB3 ALA 17 HB3 ALA 17 -8.445 -1.579 -2.391 170 H PHE 18 HN PHE 18 -9.737 0.107 -0.241 171 HA PHE 18 HA PHE 18 -11.633 -1.780 0.448 172 HB2 PHE 18 HB2 PHE 18 -9.985 -0.759 2.012 173 HB3 PHE 18 HB1 PHE 18 -10.937 0.717 2.013 174 HD1 PHE 18 HD1 PHE 18 -12.967 0.881 3.313 175 HD2 PHE 18 HD2 PHE 18 -10.817 -2.788 3.082 176 HE1 PHE 18 HE1 PHE 18 -14.287 -0.009 5.180 177 HE2 PHE 18 HE2 PHE 18 -12.138 -3.681 4.948 178 HZ PHE 18 HZ PHE 18 -13.875 -2.296 5.999 179 H LYS 19 HN LYS 19 -12.150 1.758 0.267 180 HA LYS 19 HA LYS 19 -14.955 1.201 0.361 181 HB2 LYS 19 HB2 LYS 19 -15.354 3.489 0.803 182 HB3 LYS 19 HB1 LYS 19 -13.981 3.059 1.791 183 HG2 LYS 19 HG2 LYS 19 -13.860 4.592 -0.805 184 HG3 LYS 19 HG1 LYS 19 -13.828 5.314 0.795 185 HD2 LYS 19 HD2 LYS 19 -11.706 4.271 1.262 186 HD3 LYS 19 HD1 LYS 19 -11.787 3.361 -0.249 187 HE2 LYS 19 HE2 LYS 19 -11.697 6.363 -0.054 188 HE3 LYS 19 HE1 LYS 19 -10.314 5.335 -0.419 189 HZ1 LYS 19 HZ1 LYS 19 -11.273 6.191 -2.456 190 HZ2 LYS 19 HZ2 LYS 19 -12.783 5.642 -2.027 191 HZ3 LYS 19 HZ3 LYS 19 -11.566 4.519 -2.384 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 14.531 4.428 2.664 2 H3 PRO 1 HT2 PRO 1 15.103 4.610 1.124 3 HA PRO 1 HA PRO 1 15.600 2.296 0.915 4 HB2 PRO 1 HB2 PRO 1 13.808 1.231 2.755 5 HB3 PRO 1 HB1 PRO 1 15.569 1.120 2.841 6 HG2 PRO 1 HG2 PRO 1 13.732 3.047 4.191 7 HG3 PRO 1 HG1 PRO 1 15.230 2.327 4.800 8 HD2 PRO 1 HD2 PRO 1 15.192 4.848 4.022 9 HD3 PRO 1 HD1 PRO 1 16.561 3.805 3.678 10 H MET 2 HN MET 2 14.475 2.446 -0.899 11 HA MET 2 HA MET 2 11.958 3.599 -1.260 12 HB2 MET 2 HB2 MET 2 13.447 1.627 -2.973 13 HB3 MET 2 HB1 MET 2 11.953 2.411 -3.464 14 HG2 MET 2 HG2 MET 2 14.520 3.802 -2.763 15 HG3 MET 2 HG1 MET 2 13.905 3.519 -4.393 16 HE1 MET 2 HE1 MET 2 14.246 6.089 -4.837 17 HE2 MET 2 HE2 MET 2 14.751 6.396 -3.173 18 HE3 MET 2 HE3 MET 2 13.484 7.375 -3.903 19 H LYS 3 HN LYS 3 12.812 0.334 -0.455 20 HA LYS 3 HA LYS 3 10.411 -0.899 -1.185 21 HB2 LYS 3 HB2 LYS 3 11.063 -2.760 0.281 22 HB3 LYS 3 HB1 LYS 3 12.389 -2.205 -0.718 23 HG2 LYS 3 HG2 LYS 3 13.326 -1.002 1.212 24 HG3 LYS 3 HG1 LYS 3 12.001 -1.609 2.205 25 HD2 LYS 3 HD2 LYS 3 12.698 -3.909 1.758 26 HD3 LYS 3 HD1 LYS 3 14.003 -3.321 0.732 27 HE2 LYS 3 HE2 LYS 3 14.989 -2.175 2.669 28 HE3 LYS 3 HE1 LYS 3 13.685 -2.793 3.682 29 HZ1 LYS 3 HZ1 LYS 3 15.697 -4.436 2.244 30 HZ2 LYS 3 HZ2 LYS 3 14.452 -5.049 3.208 31 HZ3 LYS 3 HZ3 LYS 3 15.676 -4.125 3.895 32 H LEU 4 HN LEU 4 11.135 1.049 1.597 33 HA LEU 4 HA LEU 4 8.902 0.086 3.114 34 HB2 LEU 4 HB2 LEU 4 10.491 2.619 3.472 35 HB3 LEU 4 HB1 LEU 4 9.348 1.964 4.627 36 HG LEU 4 HG LEU 4 12.016 0.807 3.836 37 HD11 LEU 4 HD11 LEU 4 12.588 1.155 6.158 38 HD12 LEU 4 HD12 LEU 4 10.980 1.795 6.474 39 HD13 LEU 4 HD13 LEU 4 12.079 2.672 5.413 40 HD21 LEU 4 HD21 LEU 4 10.432 -1.024 4.115 41 HD22 LEU 4 HD22 LEU 4 9.925 -0.368 5.671 42 HD23 LEU 4 HD23 LEU 4 11.568 -0.975 5.461 43 H LEU 5 HN LEU 5 9.486 2.663 0.861 44 HA LEU 5 HA LEU 5 6.996 3.985 1.265 45 HB2 LEU 5 HB2 LEU 5 8.915 4.020 -1.066 46 HB3 LEU 5 HB1 LEU 5 7.432 4.942 -1.061 47 HG LEU 5 HG LEU 5 9.229 6.411 -0.578 48 HD11 LEU 5 HD11 LEU 5 7.729 5.848 1.957 49 HD12 LEU 5 HD12 LEU 5 7.216 6.882 0.624 50 HD13 LEU 5 HD13 LEU 5 8.624 7.321 1.590 51 HD21 LEU 5 HD21 LEU 5 10.913 4.842 0.177 52 HD22 LEU 5 HD22 LEU 5 10.006 4.547 1.659 53 HD23 LEU 5 HD23 LEU 5 10.720 6.132 1.365 54 H LYS 6 HN LYS 6 8.076 1.296 -0.628 55 HA LYS 6 HA LYS 6 5.679 1.135 -2.150 56 HB2 LYS 6 HB2 LYS 6 7.879 -0.885 -1.745 57 HB3 LYS 6 HB1 LYS 6 6.515 -1.123 -2.832 58 HG2 LYS 6 HG2 LYS 6 8.610 1.038 -3.031 59 HG3 LYS 6 HG1 LYS 6 8.438 -0.371 -4.084 60 HD2 LYS 6 HD2 LYS 6 6.228 0.445 -4.803 61 HD3 LYS 6 HD1 LYS 6 6.412 1.843 -3.748 62 HE2 LYS 6 HE2 LYS 6 8.379 2.530 -5.042 63 HE3 LYS 6 HE1 LYS 6 8.101 1.175 -6.138 64 HZ1 LYS 6 HZ1 LYS 6 7.116 3.197 -7.029 65 HZ2 LYS 6 HZ2 LYS 6 6.214 3.408 -5.622 66 HZ3 LYS 6 HZ3 LYS 6 5.916 2.087 -6.619 67 H ARG 7 HN ARG 7 6.648 -0.150 0.926 68 HA ARG 7 HA ARG 7 4.469 -1.947 1.212 69 HB2 ARG 7 HB2 ARG 7 5.735 -0.286 3.400 70 HB3 ARG 7 HB1 ARG 7 4.703 -1.681 3.642 71 HG2 ARG 7 HG2 ARG 7 6.441 -3.047 2.472 72 HG3 ARG 7 HG1 ARG 7 7.484 -1.621 2.513 73 HD2 ARG 7 HD2 ARG 7 6.317 -3.107 4.860 74 HD3 ARG 7 HD1 ARG 7 8.014 -2.996 4.404 75 HE ARG 7 HE ARG 7 7.040 -0.410 4.823 76 HH11 ARG 7 HH11 ARG 7 7.754 -3.323 6.715 77 HH12 ARG 7 HH12 ARG 7 8.028 -2.465 8.166 78 HH21 ARG 7 HH21 ARG 7 7.467 0.746 6.835 79 HH22 ARG 7 HH22 ARG 7 7.906 -0.144 8.224 80 H LEU 8 HN LEU 8 4.918 1.438 1.934 81 HA LEU 8 HA LEU 8 2.353 2.020 2.939 82 HB2 LEU 8 HB2 LEU 8 4.339 3.450 3.230 83 HB3 LEU 8 HB1 LEU 8 4.342 3.795 1.517 84 HG LEU 8 HG LEU 8 2.146 4.933 1.792 85 HD11 LEU 8 HD11 LEU 8 1.355 3.807 3.786 86 HD12 LEU 8 HD12 LEU 8 1.421 5.549 4.050 87 HD13 LEU 8 HD13 LEU 8 2.671 4.508 4.727 88 HD21 LEU 8 HD21 LEU 8 3.066 6.927 2.868 89 HD22 LEU 8 HD22 LEU 8 4.223 6.198 1.755 90 HD23 LEU 8 HD23 LEU 8 4.408 5.970 3.494 91 H GLY 9 HN GLY 9 3.709 1.900 -0.274 92 HA2 GLY 9 HA2 GLY 9 1.604 3.065 -1.729 93 HA3 GLY 9 HA1 GLY 9 2.795 1.940 -2.372 94 H LYS 10 HN LYS 10 2.264 -0.250 -0.802 95 HA LYS 10 HA LYS 10 -0.012 -1.372 -2.059 96 HB2 LYS 10 HB2 LYS 10 1.604 -2.302 0.311 97 HB3 LYS 10 HB1 LYS 10 0.350 -3.263 -0.450 98 HG2 LYS 10 HG2 LYS 10 2.842 -2.275 -1.827 99 HG3 LYS 10 HG1 LYS 10 2.641 -3.884 -1.143 100 HD2 LYS 10 HD2 LYS 10 0.998 -2.691 -3.390 101 HD3 LYS 10 HD1 LYS 10 2.274 -3.886 -3.572 102 HE2 LYS 10 HE2 LYS 10 -0.359 -4.266 -2.125 103 HE3 LYS 10 HE1 LYS 10 0.114 -4.969 -3.665 104 HZ1 LYS 10 HZ1 LYS 10 1.864 -6.206 -2.504 105 HZ2 LYS 10 HZ2 LYS 10 0.330 -6.560 -1.915 106 HZ3 LYS 10 HZ3 LYS 10 1.345 -5.571 -1.025 107 H LYS 11 HN LYS 11 0.609 -0.070 1.137 108 HA LYS 11 HA LYS 11 -1.855 -0.801 2.257 109 HB2 LYS 11 HB2 LYS 11 -0.007 1.439 3.079 110 HB3 LYS 11 HB1 LYS 11 -1.380 0.877 4.020 111 HG2 LYS 11 HG2 LYS 11 1.090 -0.701 3.319 112 HG3 LYS 11 HG1 LYS 11 0.643 -0.075 4.907 113 HD2 LYS 11 HD2 LYS 11 -1.327 -1.522 4.928 114 HD3 LYS 11 HD1 LYS 11 -0.900 -2.125 3.328 115 HE2 LYS 11 HE2 LYS 11 1.207 -2.989 4.234 116 HE3 LYS 11 HE1 LYS 11 0.722 -2.449 5.840 117 HZ1 LYS 11 HZ1 LYS 11 -1.207 -3.922 5.685 118 HZ2 LYS 11 HZ2 LYS 11 0.237 -4.781 5.519 119 HZ3 LYS 11 HZ3 LYS 11 -0.693 -4.445 4.166 120 H ILE 12 HN ILE 12 -0.892 2.287 0.772 121 HA ILE 12 HA ILE 12 -3.389 3.472 1.226 122 HB ILE 12 HB ILE 12 -1.423 4.827 0.576 123 HG12 ILE 12 HG12 ILE 12 -3.743 5.156 -1.347 124 HG13 ILE 12 HG11 ILE 12 -3.683 5.774 0.297 125 HG21 ILE 12 HG21 ILE 12 -0.701 5.001 -1.758 126 HG22 ILE 12 HG22 ILE 12 -1.783 3.672 -2.175 127 HG23 ILE 12 HG23 ILE 12 -0.426 3.392 -1.085 128 HD11 ILE 12 HD11 ILE 12 -1.896 6.619 -1.978 129 HD12 ILE 12 HD12 ILE 12 -1.836 7.251 -0.333 130 HD13 ILE 12 HD13 ILE 12 -3.262 7.528 -1.333 131 H ARG 13 HN ARG 13 -2.282 1.446 -1.366 132 HA ARG 13 HA ARG 13 -4.504 1.699 -3.082 133 HB2 ARG 13 HB2 ARG 13 -2.630 -0.639 -2.695 134 HB3 ARG 13 HB1 ARG 13 -3.874 -0.599 -3.934 135 HG2 ARG 13 HG2 ARG 13 -2.823 1.350 -4.945 136 HG3 ARG 13 HG1 ARG 13 -1.603 1.358 -3.676 137 HD2 ARG 13 HD2 ARG 13 -0.762 0.330 -5.745 138 HD3 ARG 13 HD1 ARG 13 -0.783 -0.815 -4.405 139 HE ARG 13 HE ARG 13 -3.167 -1.187 -5.670 140 HH11 ARG 13 HH11 ARG 13 0.204 -1.320 -6.789 141 HH12 ARG 13 HH12 ARG 13 -0.089 -2.546 -7.931 142 HH21 ARG 13 HH21 ARG 13 -3.547 -2.879 -7.223 143 HH22 ARG 13 HH22 ARG 13 -2.274 -3.452 -8.193 144 H LEU 14 HN LEU 14 -3.884 -0.794 -0.622 145 HA LEU 14 HA LEU 14 -6.436 -1.989 -0.927 146 HB2 LEU 14 HB2 LEU 14 -4.303 -2.261 1.165 147 HB3 LEU 14 HB1 LEU 14 -5.872 -2.980 1.422 148 HG LEU 14 HG LEU 14 -4.348 -4.659 0.652 149 HD11 LEU 14 HD11 LEU 14 -5.504 -5.523 -1.283 150 HD12 LEU 14 HD12 LEU 14 -6.242 -3.950 -1.561 151 HD13 LEU 14 HD13 LEU 14 -6.630 -4.858 -0.099 152 HD21 LEU 14 HD21 LEU 14 -3.881 -2.955 -1.794 153 HD22 LEU 14 HD22 LEU 14 -3.267 -4.591 -1.545 154 HD23 LEU 14 HD23 LEU 14 -2.712 -3.273 -0.512 155 H ALA 15 HN ALA 15 -5.260 0.540 1.160 156 HA ALA 15 HA ALA 15 -7.569 0.516 2.818 157 HB1 ALA 15 HB1 ALA 15 -5.463 2.639 2.514 158 HB2 ALA 15 HB2 ALA 15 -5.427 1.294 3.656 159 HB3 ALA 15 HB3 ALA 15 -6.666 2.544 3.799 160 H ALA 16 HN ALA 16 -6.621 2.412 -0.039 161 HA ALA 16 HA ALA 16 -8.756 4.243 0.112 162 HB1 ALA 16 HB1 ALA 16 -6.796 4.623 -1.314 163 HB2 ALA 16 HB2 ALA 16 -8.289 4.708 -2.252 164 HB3 ALA 16 HB3 ALA 16 -7.276 3.267 -2.333 165 H ALA 17 HN ALA 17 -8.434 1.062 -1.183 166 HA ALA 17 HA ALA 17 -10.977 1.004 -2.489 167 HB1 ALA 17 HB1 ALA 17 -9.106 -0.372 -3.247 168 HB2 ALA 17 HB2 ALA 17 -10.513 -1.355 -2.839 169 HB3 ALA 17 HB3 ALA 17 -9.146 -1.264 -1.726 170 H PHE 18 HN PHE 18 -9.855 0.472 0.699 171 HA PHE 18 HA PHE 18 -11.914 -1.329 1.515 172 HB2 PHE 18 HB2 PHE 18 -9.662 -1.174 2.606 173 HB3 PHE 18 HB1 PHE 18 -10.146 0.375 3.276 174 HD1 PHE 18 HD1 PHE 18 -10.836 -3.237 3.292 175 HD2 PHE 18 HD2 PHE 18 -11.541 0.496 5.204 176 HE1 PHE 18 HE1 PHE 18 -11.842 -4.404 5.196 177 HE2 PHE 18 HE2 PHE 18 -12.547 -0.677 7.112 178 HZ PHE 18 HZ PHE 18 -12.695 -3.122 7.108 179 H LYS 19 HN LYS 19 -11.381 2.203 2.066 180 HA LYS 19 HA LYS 19 -14.203 2.300 2.526 181 HB2 LYS 19 HB2 LYS 19 -13.821 4.263 3.988 182 HB3 LYS 19 HB1 LYS 19 -13.347 2.736 4.714 183 HG2 LYS 19 HG2 LYS 19 -11.441 4.747 3.491 184 HG3 LYS 19 HG1 LYS 19 -11.884 4.740 5.192 185 HD2 LYS 19 HD2 LYS 19 -10.930 2.515 5.447 186 HD3 LYS 19 HD1 LYS 19 -10.542 2.469 3.725 187 HE2 LYS 19 HE2 LYS 19 -9.449 4.449 5.719 188 HE3 LYS 19 HE1 LYS 19 -8.590 3.031 5.115 189 HZ1 LYS 19 HZ1 LYS 19 -8.746 3.991 2.876 190 HZ2 LYS 19 HZ2 LYS 19 -7.918 5.013 3.909 191 HZ3 LYS 19 HZ3 LYS 19 -9.502 5.348 3.489 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 15.723 2.635 1.140 2 H3 PRO 1 HT2 PRO 1 16.719 1.544 1.784 3 HA PRO 1 HA PRO 1 15.835 0.738 -0.252 4 HB2 PRO 1 HB2 PRO 1 14.074 -1.016 0.944 5 HB3 PRO 1 HB1 PRO 1 15.831 -1.228 0.887 6 HG2 PRO 1 HG2 PRO 1 14.132 -0.120 3.087 7 HG3 PRO 1 HG1 PRO 1 15.559 -1.168 3.193 8 HD2 PRO 1 HD2 PRO 1 15.763 1.408 3.765 9 HD3 PRO 1 HD1 PRO 1 17.026 0.558 2.896 10 H MET 2 HN MET 2 14.189 0.755 -1.723 11 HA MET 2 HA MET 2 12.101 2.639 -1.236 12 HB2 MET 2 HB2 MET 2 13.260 2.402 -3.447 13 HB3 MET 2 HB1 MET 2 12.463 0.848 -3.652 14 HG2 MET 2 HG2 MET 2 10.277 1.996 -3.489 15 HG3 MET 2 HG1 MET 2 11.127 3.531 -3.414 16 HE1 MET 2 HE1 MET 2 8.824 2.935 -5.449 17 HE2 MET 2 HE2 MET 2 9.482 3.605 -6.942 18 HE3 MET 2 HE3 MET 2 9.703 4.465 -5.417 19 H LYS 3 HN LYS 3 12.405 -0.775 -0.939 20 HA LYS 3 HA LYS 3 9.925 -1.846 -1.319 21 HB2 LYS 3 HB2 LYS 3 11.859 -2.359 0.928 22 HB3 LYS 3 HB1 LYS 3 10.399 -3.302 0.724 23 HG2 LYS 3 HG2 LYS 3 12.578 -3.053 -1.346 24 HG3 LYS 3 HG1 LYS 3 12.451 -4.367 -0.180 25 HD2 LYS 3 HD2 LYS 3 10.378 -3.668 -2.273 26 HD3 LYS 3 HD1 LYS 3 11.570 -4.965 -2.400 27 HE2 LYS 3 HE2 LYS 3 10.626 -5.975 -0.365 28 HE3 LYS 3 HE1 LYS 3 9.385 -4.734 -0.339 29 HZ1 LYS 3 HZ1 LYS 3 9.786 -6.725 -2.502 30 HZ2 LYS 3 HZ2 LYS 3 8.606 -5.523 -2.515 31 HZ3 LYS 3 HZ3 LYS 3 8.552 -6.750 -1.363 32 H LEU 4 HN LEU 4 10.927 -0.097 1.619 33 HA LEU 4 HA LEU 4 8.381 -0.435 2.791 34 HB2 LEU 4 HB2 LEU 4 9.165 1.144 4.556 35 HB3 LEU 4 HB1 LEU 4 10.174 -0.257 4.318 36 HG LEU 4 HG LEU 4 11.693 1.312 2.943 37 HD11 LEU 4 HD11 LEU 4 10.138 3.164 2.708 38 HD12 LEU 4 HD12 LEU 4 11.613 3.665 3.533 39 HD13 LEU 4 HD13 LEU 4 10.136 3.396 4.456 40 HD21 LEU 4 HD21 LEU 4 12.290 0.403 5.109 41 HD22 LEU 4 HD22 LEU 4 11.387 1.684 5.914 42 HD23 LEU 4 HD23 LEU 4 12.827 2.075 4.972 43 H LEU 5 HN LEU 5 9.676 1.992 0.737 44 HA LEU 5 HA LEU 5 7.658 3.948 1.238 45 HB2 LEU 5 HB2 LEU 5 9.424 3.538 -1.181 46 HB3 LEU 5 HB1 LEU 5 8.412 4.938 -0.914 47 HG LEU 5 HG LEU 5 10.758 4.135 0.813 48 HD11 LEU 5 HD11 LEU 5 11.861 6.080 -0.165 49 HD12 LEU 5 HD12 LEU 5 10.473 6.333 -1.225 50 HD13 LEU 5 HD13 LEU 5 11.458 4.882 -1.395 51 HD21 LEU 5 HD21 LEU 5 9.002 6.593 0.857 52 HD22 LEU 5 HD22 LEU 5 10.464 6.364 1.813 53 HD23 LEU 5 HD23 LEU 5 9.061 5.333 2.092 54 H LYS 6 HN LYS 6 8.115 1.357 -1.087 55 HA LYS 6 HA LYS 6 5.700 1.765 -2.511 56 HB2 LYS 6 HB2 LYS 6 7.301 -0.776 -2.141 57 HB3 LYS 6 HB1 LYS 6 5.973 -0.584 -3.272 58 HG2 LYS 6 HG2 LYS 6 7.279 1.173 -4.427 59 HG3 LYS 6 HG1 LYS 6 8.618 0.828 -3.326 60 HD2 LYS 6 HD2 LYS 6 8.691 -1.480 -4.116 61 HD3 LYS 6 HD1 LYS 6 7.328 -1.163 -5.193 62 HE2 LYS 6 HE2 LYS 6 8.695 0.531 -6.360 63 HE3 LYS 6 HE1 LYS 6 10.054 0.122 -5.317 64 HZ1 LYS 6 HZ1 LYS 6 10.212 -0.985 -7.435 65 HZ2 LYS 6 HZ2 LYS 6 8.699 -1.714 -7.209 66 HZ3 LYS 6 HZ3 LYS 6 9.998 -2.125 -6.215 67 H ARG 7 HN ARG 7 6.573 -0.075 0.329 68 HA ARG 7 HA ARG 7 4.170 -1.471 0.656 69 HB2 ARG 7 HB2 ARG 7 6.140 -2.156 1.832 70 HB3 ARG 7 HB1 ARG 7 6.204 -0.625 2.694 71 HG2 ARG 7 HG2 ARG 7 4.199 -1.140 3.888 72 HG3 ARG 7 HG1 ARG 7 3.958 -2.604 2.939 73 HD2 ARG 7 HD2 ARG 7 4.917 -2.941 5.222 74 HD3 ARG 7 HD1 ARG 7 5.840 -3.643 3.892 75 HE ARG 7 HE ARG 7 7.421 -2.059 4.109 76 HH11 ARG 7 HH11 ARG 7 4.829 -1.342 6.406 77 HH12 ARG 7 HH12 ARG 7 5.832 -0.583 7.554 78 HH21 ARG 7 HH21 ARG 7 8.827 -1.016 5.734 79 HH22 ARG 7 HH22 ARG 7 8.148 -0.383 7.162 80 H LEU 8 HN LEU 8 5.186 1.704 1.790 81 HA LEU 8 HA LEU 8 2.933 2.316 3.349 82 HB2 LEU 8 HB2 LEU 8 4.706 4.150 1.737 83 HB3 LEU 8 HB1 LEU 8 3.535 4.693 2.917 84 HG LEU 8 HG LEU 8 5.956 2.997 3.527 85 HD11 LEU 8 HD11 LEU 8 6.576 5.245 2.861 86 HD12 LEU 8 HD12 LEU 8 6.825 5.016 4.594 87 HD13 LEU 8 HD13 LEU 8 5.422 5.916 4.011 88 HD21 LEU 8 HD21 LEU 8 4.134 2.578 5.087 89 HD22 LEU 8 HD22 LEU 8 3.928 4.308 5.337 90 HD23 LEU 8 HD23 LEU 8 5.407 3.511 5.874 91 H GLY 9 HN GLY 9 3.637 3.079 -0.049 92 HA2 GLY 9 HA2 GLY 9 1.168 4.290 -0.643 93 HA3 GLY 9 HA1 GLY 9 2.262 3.568 -1.817 94 H LYS 10 HN LYS 10 2.234 0.974 -0.786 95 HA LYS 10 HA LYS 10 0.037 -0.176 -2.078 96 HB2 LYS 10 HB2 LYS 10 2.283 -1.227 -1.556 97 HB3 LYS 10 HB1 LYS 10 1.702 -1.456 0.083 98 HG2 LYS 10 HG2 LYS 10 1.455 -3.510 -1.108 99 HG3 LYS 10 HG1 LYS 10 -0.153 -2.828 -0.835 100 HD2 LYS 10 HD2 LYS 10 -0.246 -2.004 -3.087 101 HD3 LYS 10 HD1 LYS 10 1.423 -2.490 -3.377 102 HE2 LYS 10 HE2 LYS 10 -0.037 -4.071 -4.388 103 HE3 LYS 10 HE1 LYS 10 0.757 -4.832 -3.017 104 HZ1 LYS 10 HZ1 LYS 10 -1.594 -5.378 -3.148 105 HZ2 LYS 10 HZ2 LYS 10 -2.017 -3.760 -3.005 106 HZ3 LYS 10 HZ3 LYS 10 -1.268 -4.557 -1.714 107 H LYS 11 HN LYS 11 0.664 0.526 1.324 108 HA LYS 11 HA LYS 11 -1.636 -0.744 2.395 109 HB2 LYS 11 HB2 LYS 11 0.364 -0.073 3.740 110 HB3 LYS 11 HB1 LYS 11 -0.101 1.604 3.513 111 HG2 LYS 11 HG2 LYS 11 -2.252 1.102 4.669 112 HG3 LYS 11 HG1 LYS 11 -1.637 -0.512 5.009 113 HD2 LYS 11 HD2 LYS 11 -1.294 0.878 6.948 114 HD3 LYS 11 HD1 LYS 11 0.274 0.528 6.223 115 HE2 LYS 11 HE2 LYS 11 0.291 2.714 5.154 116 HE3 LYS 11 HE1 LYS 11 -1.313 3.062 5.792 117 HZ1 LYS 11 HZ1 LYS 11 1.168 2.662 7.364 118 HZ2 LYS 11 HZ2 LYS 11 -0.342 2.907 8.040 119 HZ3 LYS 11 HZ3 LYS 11 0.375 4.123 7.100 120 H ILE 12 HN ILE 12 -0.937 2.519 1.289 121 HA ILE 12 HA ILE 12 -3.401 3.701 2.040 122 HB ILE 12 HB ILE 12 -1.558 4.526 -0.238 123 HG12 ILE 12 HG12 ILE 12 -0.289 4.417 1.840 124 HG13 ILE 12 HG11 ILE 12 -0.525 6.090 1.360 125 HG21 ILE 12 HG21 ILE 12 -2.480 6.774 0.056 126 HG22 ILE 12 HG22 ILE 12 -3.559 6.172 1.308 127 HG23 ILE 12 HG23 ILE 12 -3.744 5.613 -0.354 128 HD11 ILE 12 HD11 ILE 12 -2.043 4.629 3.516 129 HD12 ILE 12 HD12 ILE 12 -2.302 6.304 3.028 130 HD13 ILE 12 HD13 ILE 12 -0.768 5.827 3.755 131 H ARG 13 HN ARG 13 -2.318 1.998 -0.819 132 HA ARG 13 HA ARG 13 -4.733 2.409 -2.282 133 HB2 ARG 13 HB2 ARG 13 -2.568 0.347 -2.681 134 HB3 ARG 13 HB1 ARG 13 -3.899 0.622 -3.789 135 HG2 ARG 13 HG2 ARG 13 -3.086 2.946 -4.110 136 HG3 ARG 13 HG1 ARG 13 -1.692 2.543 -3.102 137 HD2 ARG 13 HD2 ARG 13 -1.131 2.324 -5.452 138 HD3 ARG 13 HD1 ARG 13 -1.098 0.750 -4.659 139 HE ARG 13 HE ARG 13 -3.627 1.337 -5.844 140 HH11 ARG 13 HH11 ARG 13 -0.420 0.030 -6.517 141 HH12 ARG 13 HH12 ARG 13 -0.919 -0.828 -7.895 142 HH21 ARG 13 HH21 ARG 13 -4.300 0.151 -7.693 143 HH22 ARG 13 HH22 ARG 13 -3.179 -0.762 -8.599 144 H LEU 14 HN LEU 14 -3.610 -0.025 -0.059 145 HA LEU 14 HA LEU 14 -5.728 -1.856 -0.511 146 HB2 LEU 14 HB2 LEU 14 -3.649 -2.532 0.592 147 HB3 LEU 14 HB1 LEU 14 -3.974 -1.442 1.919 148 HG LEU 14 HG LEU 14 -5.915 -2.821 2.564 149 HD11 LEU 14 HD11 LEU 14 -6.243 -5.024 1.558 150 HD12 LEU 14 HD12 LEU 14 -5.016 -4.654 0.347 151 HD13 LEU 14 HD13 LEU 14 -6.518 -3.728 0.396 152 HD21 LEU 14 HD21 LEU 14 -3.742 -3.241 3.580 153 HD22 LEU 14 HD22 LEU 14 -3.343 -4.366 2.280 154 HD23 LEU 14 HD23 LEU 14 -4.654 -4.739 3.397 155 H ALA 15 HN ALA 15 -5.305 0.922 1.545 156 HA ALA 15 HA ALA 15 -7.699 0.681 3.020 157 HB1 ALA 15 HB1 ALA 15 -7.392 3.048 3.557 158 HB2 ALA 15 HB2 ALA 15 -6.188 3.190 2.274 159 HB3 ALA 15 HB3 ALA 15 -5.860 2.182 3.684 160 H ALA 16 HN ALA 16 -6.918 2.482 0.072 161 HA ALA 16 HA ALA 16 -9.510 3.515 -0.341 162 HB1 ALA 16 HB1 ALA 16 -8.745 4.081 -2.578 163 HB2 ALA 16 HB2 ALA 16 -7.343 3.030 -2.365 164 HB3 ALA 16 HB3 ALA 16 -7.525 4.469 -1.364 165 H ALA 17 HN ALA 17 -8.022 0.504 -1.276 166 HA ALA 17 HA ALA 17 -9.962 -0.327 -3.157 167 HB1 ALA 17 HB1 ALA 17 -8.202 -2.031 -1.400 168 HB2 ALA 17 HB2 ALA 17 -7.749 -1.354 -2.960 169 HB3 ALA 17 HB3 ALA 17 -9.035 -2.556 -2.864 170 H PHE 18 HN PHE 18 -9.892 -0.292 0.278 171 HA PHE 18 HA PHE 18 -12.037 -2.188 0.590 172 HB2 PHE 18 HB2 PHE 18 -10.106 -1.854 2.213 173 HB3 PHE 18 HB1 PHE 18 -10.870 -0.343 2.681 174 HD1 PHE 18 HD1 PHE 18 -11.749 -3.942 2.271 175 HD2 PHE 18 HD2 PHE 18 -12.190 -0.392 4.558 176 HE1 PHE 18 HE1 PHE 18 -13.068 -5.187 3.931 177 HE2 PHE 18 HE2 PHE 18 -13.518 -1.632 6.225 178 HZ PHE 18 HZ PHE 18 -13.958 -4.024 5.912 179 H LYS 19 HN LYS 19 -11.697 1.121 -0.025 180 HA LYS 19 HA LYS 19 -14.377 1.809 0.871 181 HB2 LYS 19 HB2 LYS 19 -12.049 3.397 -0.176 182 HB3 LYS 19 HB1 LYS 19 -13.660 4.064 -0.309 183 HG2 LYS 19 HG2 LYS 19 -12.533 4.931 1.652 184 HG3 LYS 19 HG1 LYS 19 -13.913 3.939 2.113 185 HD2 LYS 19 HD2 LYS 19 -12.392 2.081 2.608 186 HD3 LYS 19 HD1 LYS 19 -11.021 3.097 2.166 187 HE2 LYS 19 HE2 LYS 19 -11.370 3.011 4.601 188 HE3 LYS 19 HE1 LYS 19 -11.535 4.639 3.953 189 HZ1 LYS 19 HZ1 LYS 19 -13.793 2.824 4.571 190 HZ2 LYS 19 HZ2 LYS 19 -13.938 4.441 4.093 191 HZ3 LYS 19 HZ3 LYS 19 -13.264 4.055 5.581 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 14.080 5.272 0.237 2 H3 PRO 1 HT2 PRO 1 14.913 5.211 1.610 3 HA PRO 1 HA PRO 1 14.644 3.053 0.726 4 HB2 PRO 1 HB2 PRO 1 12.721 2.289 2.553 5 HB3 PRO 1 HB1 PRO 1 14.445 2.495 2.906 6 HG2 PRO 1 HG2 PRO 1 12.185 4.400 3.351 7 HG3 PRO 1 HG1 PRO 1 13.597 4.091 4.372 8 HD2 PRO 1 HD2 PRO 1 13.489 6.289 2.883 9 HD3 PRO 1 HD1 PRO 1 14.981 5.396 3.107 10 H MET 2 HN MET 2 13.762 2.736 -1.223 11 HA MET 2 HA MET 2 11.149 3.448 -1.974 12 HB2 MET 2 HB2 MET 2 13.071 3.195 -3.537 13 HB3 MET 2 HB1 MET 2 12.987 1.457 -3.311 14 HG2 MET 2 HG2 MET 2 11.907 2.087 -5.380 15 HG3 MET 2 HG1 MET 2 10.718 1.452 -4.245 16 HE1 MET 2 HE1 MET 2 8.687 4.177 -6.209 17 HE2 MET 2 HE2 MET 2 8.759 2.482 -5.723 18 HE3 MET 2 HE3 MET 2 9.947 3.127 -6.857 19 H LYS 3 HN LYS 3 12.540 0.490 -0.726 20 HA LYS 3 HA LYS 3 10.465 -1.324 -1.227 21 HB2 LYS 3 HB2 LYS 3 12.215 -1.137 1.220 22 HB3 LYS 3 HB1 LYS 3 11.254 -2.540 0.787 23 HG2 LYS 3 HG2 LYS 3 12.595 -2.860 -1.213 24 HG3 LYS 3 HG1 LYS 3 13.543 -1.426 -0.834 25 HD2 LYS 3 HD2 LYS 3 13.364 -3.943 0.836 26 HD3 LYS 3 HD1 LYS 3 14.730 -3.466 -0.171 27 HE2 LYS 3 HE2 LYS 3 15.016 -1.442 1.233 28 HE3 LYS 3 HE1 LYS 3 13.689 -1.985 2.251 29 HZ1 LYS 3 HZ1 LYS 3 14.968 -3.975 2.748 30 HZ2 LYS 3 HZ2 LYS 3 15.726 -2.571 3.260 31 HZ3 LYS 3 HZ3 LYS 3 16.276 -3.374 1.862 32 H LEU 4 HN LEU 4 10.985 0.829 1.507 33 HA LEU 4 HA LEU 4 8.597 0.063 2.853 34 HB2 LEU 4 HB2 LEU 4 10.398 2.436 3.305 35 HB3 LEU 4 HB1 LEU 4 9.130 1.907 4.390 36 HG LEU 4 HG LEU 4 11.616 0.335 3.708 37 HD11 LEU 4 HD11 LEU 4 10.829 1.752 6.241 38 HD12 LEU 4 HD12 LEU 4 12.065 2.278 5.098 39 HD13 LEU 4 HD13 LEU 4 12.278 0.776 5.993 40 HD21 LEU 4 HD21 LEU 4 9.738 -1.151 4.166 41 HD22 LEU 4 HD22 LEU 4 9.379 -0.265 5.647 42 HD23 LEU 4 HD23 LEU 4 10.882 -1.176 5.509 43 H LEU 5 HN LEU 5 9.473 2.531 0.579 44 HA LEU 5 HA LEU 5 7.184 4.157 0.869 45 HB2 LEU 5 HB2 LEU 5 9.335 4.803 -0.258 46 HB3 LEU 5 HB1 LEU 5 8.953 3.704 -1.554 47 HG LEU 5 HG LEU 5 8.643 6.143 -2.061 48 HD11 LEU 5 HD11 LEU 5 7.557 4.500 -3.450 49 HD12 LEU 5 HD12 LEU 5 6.538 5.926 -3.249 50 HD13 LEU 5 HD13 LEU 5 6.182 4.452 -2.346 51 HD21 LEU 5 HD21 LEU 5 6.634 7.267 -1.239 52 HD22 LEU 5 HD22 LEU 5 7.745 6.868 0.071 53 HD23 LEU 5 HD23 LEU 5 6.296 5.895 -0.186 54 H LYS 6 HN LYS 6 7.926 1.351 -1.139 55 HA LYS 6 HA LYS 6 5.383 1.311 -2.434 56 HB2 LYS 6 HB2 LYS 6 7.452 -0.842 -2.113 57 HB3 LYS 6 HB1 LYS 6 6.036 -0.981 -3.143 58 HG2 LYS 6 HG2 LYS 6 6.829 0.901 -4.497 59 HG3 LYS 6 HG1 LYS 6 8.250 1.041 -3.460 60 HD2 LYS 6 HD2 LYS 6 7.512 -1.370 -5.120 61 HD3 LYS 6 HD1 LYS 6 8.739 -0.178 -5.536 62 HE2 LYS 6 HE2 LYS 6 10.011 -0.770 -3.531 63 HE3 LYS 6 HE1 LYS 6 8.771 -1.932 -3.076 64 HZ1 LYS 6 HZ1 LYS 6 9.233 -3.202 -5.008 65 HZ2 LYS 6 HZ2 LYS 6 10.684 -2.949 -4.155 66 HZ3 LYS 6 HZ3 LYS 6 10.357 -2.068 -5.557 67 H ARG 7 HN ARG 7 6.730 -0.195 0.421 68 HA ARG 7 HA ARG 7 4.567 -1.905 0.981 69 HB2 ARG 7 HB2 ARG 7 6.796 -2.136 2.018 70 HB3 ARG 7 HB1 ARG 7 6.554 -0.621 2.865 71 HG2 ARG 7 HG2 ARG 7 6.230 -2.549 4.329 72 HG3 ARG 7 HG1 ARG 7 4.758 -1.594 4.170 73 HD2 ARG 7 HD2 ARG 7 4.324 -4.012 4.082 74 HD3 ARG 7 HD1 ARG 7 3.850 -3.202 2.594 75 HE ARG 7 HE ARG 7 6.367 -4.049 2.074 76 HH11 ARG 7 HH11 ARG 7 3.479 -5.713 3.252 77 HH12 ARG 7 HH12 ARG 7 3.839 -7.210 2.545 78 HH21 ARG 7 HH21 ARG 7 6.910 -6.049 1.099 79 HH22 ARG 7 HH22 ARG 7 5.888 -7.412 1.246 80 H LEU 8 HN LEU 8 5.294 1.411 1.946 81 HA LEU 8 HA LEU 8 3.026 1.821 3.583 82 HB2 LEU 8 HB2 LEU 8 5.048 3.279 3.550 83 HB3 LEU 8 HB1 LEU 8 4.592 3.834 1.957 84 HG LEU 8 HG LEU 8 2.515 4.798 2.945 85 HD11 LEU 8 HD11 LEU 8 3.832 4.082 5.558 86 HD12 LEU 8 HD12 LEU 8 2.336 3.398 4.921 87 HD13 LEU 8 HD13 LEU 8 2.407 5.102 5.366 88 HD21 LEU 8 HD21 LEU 8 3.637 6.713 3.982 89 HD22 LEU 8 HD22 LEU 8 4.470 6.186 2.521 90 HD23 LEU 8 HD23 LEU 8 5.124 5.772 4.106 91 H GLY 9 HN GLY 9 3.714 2.389 0.181 92 HA2 GLY 9 HA2 GLY 9 1.260 3.525 -0.569 93 HA3 GLY 9 HA1 GLY 9 2.393 2.706 -1.638 94 H LYS 10 HN LYS 10 2.308 0.200 -0.284 95 HA LYS 10 HA LYS 10 0.183 -1.086 -1.568 96 HB2 LYS 10 HB2 LYS 10 2.286 -2.191 -0.839 97 HB3 LYS 10 HB1 LYS 10 1.759 -2.043 0.827 98 HG2 LYS 10 HG2 LYS 10 -0.134 -3.489 0.376 99 HG3 LYS 10 HG1 LYS 10 0.348 -3.636 -1.309 100 HD2 LYS 10 HD2 LYS 10 2.548 -4.547 -0.482 101 HD3 LYS 10 HD1 LYS 10 1.833 -4.601 1.131 102 HE2 LYS 10 HE2 LYS 10 1.637 -6.773 0.103 103 HE3 LYS 10 HE1 LYS 10 0.034 -6.050 0.239 104 HZ1 LYS 10 HZ1 LYS 10 0.164 -5.422 -2.105 105 HZ2 LYS 10 HZ2 LYS 10 0.364 -7.075 -1.924 106 HZ3 LYS 10 HZ3 LYS 10 1.704 -6.092 -2.220 107 H LYS 11 HN LYS 11 0.624 -0.100 1.767 108 HA LYS 11 HA LYS 11 -1.819 -1.083 2.748 109 HB2 LYS 11 HB2 LYS 11 -0.092 1.177 3.721 110 HB3 LYS 11 HB1 LYS 11 -1.456 0.519 4.621 111 HG2 LYS 11 HG2 LYS 11 -0.317 -1.652 4.697 112 HG3 LYS 11 HG1 LYS 11 1.048 -0.949 3.828 113 HD2 LYS 11 HD2 LYS 11 1.413 0.627 5.633 114 HD3 LYS 11 HD1 LYS 11 0.009 -0.000 6.494 115 HE2 LYS 11 HE2 LYS 11 1.095 -2.190 6.632 116 HE3 LYS 11 HE1 LYS 11 2.510 -1.535 5.812 117 HZ1 LYS 11 HZ1 LYS 11 2.799 -1.587 8.204 118 HZ2 LYS 11 HZ2 LYS 11 1.448 -0.607 8.418 119 HZ3 LYS 11 HZ3 LYS 11 2.810 0.001 7.644 120 H ILE 12 HN ILE 12 -0.885 1.964 1.298 121 HA ILE 12 HA ILE 12 -3.357 3.289 1.659 122 HB ILE 12 HB ILE 12 -1.286 3.739 -0.528 123 HG12 ILE 12 HG12 ILE 12 -1.621 5.157 2.131 124 HG13 ILE 12 HG11 ILE 12 -0.377 3.968 1.769 125 HG21 ILE 12 HG21 ILE 12 -3.450 4.742 -1.085 126 HG22 ILE 12 HG22 ILE 12 -2.267 5.995 -0.713 127 HG23 ILE 12 HG23 ILE 12 -3.489 5.555 0.480 128 HD11 ILE 12 HD11 ILE 12 -0.700 6.646 0.430 129 HD12 ILE 12 HD12 ILE 12 0.556 5.464 0.074 130 HD13 ILE 12 HD13 ILE 12 0.495 6.235 1.660 131 H ARG 13 HN ARG 13 -2.035 1.263 -0.906 132 HA ARG 13 HA ARG 13 -4.078 1.404 -2.804 133 HB2 ARG 13 HB2 ARG 13 -2.334 -0.940 -2.055 134 HB3 ARG 13 HB1 ARG 13 -3.392 -0.957 -3.452 135 HG2 ARG 13 HG2 ARG 13 -1.044 0.894 -3.015 136 HG3 ARG 13 HG1 ARG 13 -1.024 -0.564 -4.000 137 HD2 ARG 13 HD2 ARG 13 -1.280 1.262 -5.488 138 HD3 ARG 13 HD1 ARG 13 -2.856 0.485 -5.376 139 HE ARG 13 HE ARG 13 -2.229 2.806 -3.725 140 HH11 ARG 13 HH11 ARG 13 -4.169 1.375 -6.342 141 HH12 ARG 13 HH12 ARG 13 -5.271 2.670 -6.395 142 HH21 ARG 13 HH21 ARG 13 -3.739 4.604 -3.877 143 HH22 ARG 13 HH22 ARG 13 -5.043 4.493 -4.977 144 H LEU 14 HN LEU 14 -3.763 -0.857 -0.081 145 HA LEU 14 HA LEU 14 -6.247 -2.105 -0.553 146 HB2 LEU 14 HB2 LEU 14 -4.438 -2.048 1.833 147 HB3 LEU 14 HB1 LEU 14 -6.034 -2.734 1.985 148 HG LEU 14 HG LEU 14 -4.488 -4.515 1.664 149 HD11 LEU 14 HD11 LEU 14 -5.323 -5.600 -0.326 150 HD12 LEU 14 HD12 LEU 14 -5.957 -4.072 -0.912 151 HD13 LEU 14 HD13 LEU 14 -6.610 -4.786 0.564 152 HD21 LEU 14 HD21 LEU 14 -3.555 -3.137 -0.852 153 HD22 LEU 14 HD22 LEU 14 -3.050 -4.738 -0.307 154 HD23 LEU 14 HD23 LEU 14 -2.633 -3.310 0.641 155 H ALA 15 HN ALA 15 -5.373 0.612 1.475 156 HA ALA 15 HA ALA 15 -7.895 0.899 2.717 157 HB1 ALA 15 HB1 ALA 15 -7.107 3.104 3.399 158 HB2 ALA 15 HB2 ALA 15 -5.779 3.000 2.246 159 HB3 ALA 15 HB3 ALA 15 -5.839 1.898 3.621 160 H ALA 16 HN ALA 16 -6.490 2.276 -0.198 161 HA ALA 16 HA ALA 16 -8.445 4.151 -0.816 162 HB1 ALA 16 HB1 ALA 16 -7.559 4.093 -3.076 163 HB2 ALA 16 HB2 ALA 16 -6.707 2.592 -2.716 164 HB3 ALA 16 HB3 ALA 16 -6.254 4.085 -1.889 165 H ALA 17 HN ALA 17 -8.274 0.745 -1.535 166 HA ALA 17 HA ALA 17 -10.628 0.768 -3.170 167 HB1 ALA 17 HB1 ALA 17 -8.906 -0.932 -3.480 168 HB2 ALA 17 HB2 ALA 17 -10.444 -1.689 -3.056 169 HB3 ALA 17 HB3 ALA 17 -9.175 -1.518 -1.843 170 H PHE 18 HN PHE 18 -9.874 0.326 0.172 171 HA PHE 18 HA PHE 18 -12.279 -0.978 0.935 172 HB2 PHE 18 HB2 PHE 18 -10.174 -1.252 2.175 173 HB3 PHE 18 HB1 PHE 18 -10.237 0.439 2.648 174 HD1 PHE 18 HD1 PHE 18 -11.652 -2.884 3.161 175 HD2 PHE 18 HD2 PHE 18 -11.785 1.196 4.357 176 HE1 PHE 18 HE1 PHE 18 -12.961 -3.506 5.143 177 HE2 PHE 18 HE2 PHE 18 -13.092 0.574 6.339 178 HZ PHE 18 HZ PHE 18 -13.685 -1.778 6.734 179 H LYS 19 HN LYS 19 -11.223 2.448 1.042 180 HA LYS 19 HA LYS 19 -13.265 3.314 2.700 181 HB2 LYS 19 HB2 LYS 19 -12.588 5.571 1.799 182 HB3 LYS 19 HB1 LYS 19 -11.335 4.596 2.553 183 HG2 LYS 19 HG2 LYS 19 -10.685 3.835 0.234 184 HG3 LYS 19 HG1 LYS 19 -11.774 5.075 -0.371 185 HD2 LYS 19 HD2 LYS 19 -9.474 5.562 1.486 186 HD3 LYS 19 HD1 LYS 19 -9.434 5.720 -0.270 187 HE2 LYS 19 HE2 LYS 19 -11.288 7.245 1.548 188 HE3 LYS 19 HE1 LYS 19 -9.740 7.834 0.944 189 HZ1 LYS 19 HZ1 LYS 19 -11.656 8.610 -0.373 190 HZ2 LYS 19 HZ2 LYS 19 -12.008 7.025 -0.817 191 HZ3 LYS 19 HZ3 LYS 19 -10.551 7.738 -1.280 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 15.552 4.012 0.237 2 H3 PRO 1 HT2 PRO 1 14.031 3.443 0.911 3 HA PRO 1 HA PRO 1 14.800 3.449 -1.929 4 HB2 PRO 1 HB2 PRO 1 14.423 0.866 -0.581 5 HB3 PRO 1 HB1 PRO 1 15.661 1.366 -1.741 6 HG2 PRO 1 HG2 PRO 1 16.223 1.076 0.872 7 HG3 PRO 1 HG1 PRO 1 16.995 2.310 -0.140 8 HD2 PRO 1 HD2 PRO 1 14.850 2.543 1.870 9 HD3 PRO 1 HD1 PRO 1 16.150 3.666 1.582 10 H MET 2 HN MET 2 13.344 1.612 -2.930 11 HA MET 2 HA MET 2 10.736 2.725 -2.675 12 HB2 MET 2 HB2 MET 2 11.831 0.627 -4.523 13 HB3 MET 2 HB1 MET 2 10.176 1.214 -4.579 14 HG2 MET 2 HG2 MET 2 10.964 3.455 -5.042 15 HG3 MET 2 HG1 MET 2 12.634 2.912 -4.927 16 HE1 MET 2 HE1 MET 2 13.152 3.984 -7.233 17 HE2 MET 2 HE2 MET 2 11.483 4.532 -7.402 18 HE3 MET 2 HE3 MET 2 12.263 3.651 -8.718 19 H LYS 3 HN LYS 3 12.243 -0.125 -1.480 20 HA LYS 3 HA LYS 3 10.095 -1.866 -1.289 21 HB2 LYS 3 HB2 LYS 3 12.430 -1.516 0.571 22 HB3 LYS 3 HB1 LYS 3 11.224 -2.770 0.818 23 HG2 LYS 3 HG2 LYS 3 11.753 -3.722 -1.368 24 HG3 LYS 3 HG1 LYS 3 12.942 -2.452 -1.638 25 HD2 LYS 3 HD2 LYS 3 13.055 -4.433 0.637 26 HD3 LYS 3 HD1 LYS 3 13.917 -4.623 -0.886 27 HE2 LYS 3 HE2 LYS 3 15.121 -2.535 -0.461 28 HE3 LYS 3 HE1 LYS 3 14.257 -2.339 1.057 29 HZ1 LYS 3 HZ1 LYS 3 16.043 -4.619 0.416 30 HZ2 LYS 3 HZ2 LYS 3 15.295 -4.336 1.889 31 HZ3 LYS 3 HZ3 LYS 3 16.481 -3.285 1.331 32 H LEU 4 HN LEU 4 11.082 0.310 1.354 33 HA LEU 4 HA LEU 4 8.637 -0.210 2.750 34 HB2 LEU 4 HB2 LEU 4 10.808 1.798 3.269 35 HB3 LEU 4 HB1 LEU 4 9.414 1.599 4.302 36 HG LEU 4 HG LEU 4 11.489 -0.529 3.765 37 HD11 LEU 4 HD11 LEU 4 12.376 1.307 5.091 38 HD12 LEU 4 HD12 LEU 4 12.158 -0.137 6.080 39 HD13 LEU 4 HD13 LEU 4 11.004 1.192 6.191 40 HD21 LEU 4 HD21 LEU 4 9.132 -0.459 5.645 41 HD22 LEU 4 HD22 LEU 4 10.380 -1.700 5.620 42 HD23 LEU 4 HD23 LEU 4 9.315 -1.502 4.233 43 H LEU 5 HN LEU 5 9.672 2.121 0.470 44 HA LEU 5 HA LEU 5 7.709 4.105 0.966 45 HB2 LEU 5 HB2 LEU 5 9.671 4.545 -0.414 46 HB3 LEU 5 HB1 LEU 5 9.150 3.327 -1.557 47 HG LEU 5 HG LEU 5 7.199 4.712 -2.140 48 HD11 LEU 5 HD11 LEU 5 6.940 5.942 -0.061 49 HD12 LEU 5 HD12 LEU 5 7.092 7.035 -1.433 50 HD13 LEU 5 HD13 LEU 5 8.464 6.782 -0.355 51 HD21 LEU 5 HD21 LEU 5 8.445 6.419 -3.374 52 HD22 LEU 5 HD22 LEU 5 9.215 4.835 -3.471 53 HD23 LEU 5 HD23 LEU 5 9.871 6.071 -2.396 54 H LYS 6 HN LYS 6 7.856 1.359 -1.238 55 HA LYS 6 HA LYS 6 5.236 1.732 -2.251 56 HB2 LYS 6 HB2 LYS 6 7.061 0.637 -3.511 57 HB3 LYS 6 HB1 LYS 6 7.041 -0.679 -2.351 58 HG2 LYS 6 HG2 LYS 6 4.853 -1.349 -3.059 59 HG3 LYS 6 HG1 LYS 6 4.716 0.087 -4.076 60 HD2 LYS 6 HD2 LYS 6 5.248 -1.871 -5.430 61 HD3 LYS 6 HD1 LYS 6 6.563 -0.701 -5.463 62 HE2 LYS 6 HE2 LYS 6 7.757 -2.043 -3.761 63 HE3 LYS 6 HE1 LYS 6 6.449 -3.227 -3.811 64 HZ1 LYS 6 HZ1 LYS 6 8.267 -3.929 -5.206 65 HZ2 LYS 6 HZ2 LYS 6 8.237 -2.483 -6.060 66 HZ3 LYS 6 HZ3 LYS 6 6.953 -3.540 -6.188 67 H ARG 7 HN ARG 7 6.637 -0.033 0.398 68 HA ARG 7 HA ARG 7 4.317 -1.612 0.928 69 HB2 ARG 7 HB2 ARG 7 6.717 -2.085 1.659 70 HB3 ARG 7 HB1 ARG 7 6.476 -0.867 2.897 71 HG2 ARG 7 HG2 ARG 7 4.690 -2.188 3.884 72 HG3 ARG 7 HG1 ARG 7 4.866 -3.397 2.608 73 HD2 ARG 7 HD2 ARG 7 6.930 -2.634 4.673 74 HD3 ARG 7 HD1 ARG 7 6.037 -4.152 4.586 75 HE ARG 7 HE ARG 7 7.264 -4.021 2.192 76 HH11 ARG 7 HH11 ARG 7 8.409 -4.014 5.521 77 HH12 ARG 7 HH12 ARG 7 10.007 -4.468 5.119 78 HH21 ARG 7 HH21 ARG 7 9.423 -4.589 1.631 79 HH22 ARG 7 HH22 ARG 7 10.623 -4.754 2.842 80 H LEU 8 HN LEU 8 5.434 1.564 1.868 81 HA LEU 8 HA LEU 8 3.467 2.089 3.856 82 HB2 LEU 8 HB2 LEU 8 5.504 3.457 3.623 83 HB3 LEU 8 HB1 LEU 8 4.990 3.962 2.033 84 HG LEU 8 HG LEU 8 3.072 5.152 3.055 85 HD11 LEU 8 HD11 LEU 8 3.048 5.548 5.464 86 HD12 LEU 8 HD12 LEU 8 4.381 4.412 5.665 87 HD13 LEU 8 HD13 LEU 8 2.815 3.843 5.082 88 HD21 LEU 8 HD21 LEU 8 5.128 6.343 2.536 89 HD22 LEU 8 HD22 LEU 8 5.787 5.923 4.118 90 HD23 LEU 8 HD23 LEU 8 4.387 6.990 3.999 91 H GLY 9 HN GLY 9 3.760 2.810 0.412 92 HA2 GLY 9 HA2 GLY 9 1.234 4.012 0.106 93 HA3 GLY 9 HA1 GLY 9 2.226 3.358 -1.187 94 H LYS 10 HN LYS 10 2.295 0.709 -0.004 95 HA LYS 10 HA LYS 10 0.169 -0.579 -1.178 96 HB2 LYS 10 HB2 LYS 10 2.236 -1.697 -0.553 97 HB3 LYS 10 HB1 LYS 10 1.894 -1.442 1.145 98 HG2 LYS 10 HG2 LYS 10 -0.005 -2.969 0.999 99 HG3 LYS 10 HG1 LYS 10 0.317 -3.202 -0.722 100 HD2 LYS 10 HD2 LYS 10 2.482 -4.156 -0.238 101 HD3 LYS 10 HD1 LYS 10 2.289 -3.818 1.479 102 HE2 LYS 10 HE2 LYS 10 1.865 -6.163 1.010 103 HE3 LYS 10 HE1 LYS 10 0.402 -5.363 1.568 104 HZ1 LYS 10 HZ1 LYS 10 -0.009 -6.840 -0.294 105 HZ2 LYS 10 HZ2 LYS 10 1.046 -5.972 -1.273 106 HZ3 LYS 10 HZ3 LYS 10 -0.380 -5.256 -0.708 107 H LYS 11 HN LYS 11 0.508 0.440 2.233 108 HA LYS 11 HA LYS 11 -1.953 -0.637 3.103 109 HB2 LYS 11 HB2 LYS 11 -0.423 1.720 4.184 110 HB3 LYS 11 HB1 LYS 11 -1.647 0.795 5.049 111 HG2 LYS 11 HG2 LYS 11 -0.237 -1.175 4.951 112 HG3 LYS 11 HG1 LYS 11 0.976 -0.265 4.050 113 HD2 LYS 11 HD2 LYS 11 1.187 1.272 5.960 114 HD3 LYS 11 HD1 LYS 11 0.037 0.272 6.853 115 HE2 LYS 11 HE2 LYS 11 2.303 -0.259 7.466 116 HE3 LYS 11 HE1 LYS 11 1.554 -1.641 6.658 117 HZ1 LYS 11 HZ1 LYS 11 3.456 0.303 5.470 118 HZ2 LYS 11 HZ2 LYS 11 2.746 -0.978 4.621 119 HZ3 LYS 11 HZ3 LYS 11 3.806 -1.279 5.894 120 H ILE 12 HN ILE 12 -1.036 2.405 1.667 121 HA ILE 12 HA ILE 12 -3.474 3.806 2.097 122 HB ILE 12 HB ILE 12 -1.441 4.198 -0.129 123 HG12 ILE 12 HG12 ILE 12 -1.588 5.526 2.595 124 HG13 ILE 12 HG11 ILE 12 -0.403 4.326 2.105 125 HG21 ILE 12 HG21 ILE 12 -3.555 5.313 -0.601 126 HG22 ILE 12 HG22 ILE 12 -2.309 6.505 -0.229 127 HG23 ILE 12 HG23 ILE 12 -3.522 6.090 0.982 128 HD11 ILE 12 HD11 ILE 12 -0.721 7.088 0.951 129 HD12 ILE 12 HD12 ILE 12 0.454 5.894 0.413 130 HD13 ILE 12 HD13 ILE 12 0.550 6.550 2.049 131 H ARG 13 HN ARG 13 -2.120 2.050 -0.620 132 HA ARG 13 HA ARG 13 -4.304 2.266 -2.369 133 HB2 ARG 13 HB2 ARG 13 -2.080 0.243 -2.224 134 HB3 ARG 13 HB1 ARG 13 -3.235 0.343 -3.545 135 HG2 ARG 13 HG2 ARG 13 -2.477 2.553 -4.105 136 HG3 ARG 13 HG1 ARG 13 -1.406 2.572 -2.704 137 HD2 ARG 13 HD2 ARG 13 -0.206 2.100 -4.788 138 HD3 ARG 13 HD1 ARG 13 -0.107 0.763 -3.644 139 HE ARG 13 HE ARG 13 -2.019 -0.187 -5.011 140 HH11 ARG 13 HH11 ARG 13 0.544 1.816 -6.449 141 HH12 ARG 13 HH12 ARG 13 0.466 1.057 -7.957 142 HH21 ARG 13 HH21 ARG 13 -2.071 -1.252 -7.046 143 HH22 ARG 13 HH22 ARG 13 -1.065 -0.740 -8.323 144 H LEU 14 HN LEU 14 -3.433 -0.191 -0.006 145 HA LEU 14 HA LEU 14 -5.414 -2.063 -0.580 146 HB2 LEU 14 HB2 LEU 14 -3.504 -2.479 0.919 147 HB3 LEU 14 HB1 LEU 14 -4.176 -1.363 2.086 148 HG LEU 14 HG LEU 14 -6.119 -2.884 2.368 149 HD11 LEU 14 HD11 LEU 14 -5.957 -5.181 1.527 150 HD12 LEU 14 HD12 LEU 14 -4.516 -4.738 0.614 151 HD13 LEU 14 HD13 LEU 14 -6.071 -4.007 0.217 152 HD21 LEU 14 HD21 LEU 14 -4.915 -4.577 3.660 153 HD22 LEU 14 HD22 LEU 14 -4.237 -2.967 3.911 154 HD23 LEU 14 HD23 LEU 14 -3.411 -4.119 2.860 155 H ALA 15 HN ALA 15 -5.408 0.569 1.822 156 HA ALA 15 HA ALA 15 -8.058 0.188 2.654 157 HB1 ALA 15 HB1 ALA 15 -6.422 1.469 3.959 158 HB2 ALA 15 HB2 ALA 15 -7.889 2.405 3.661 159 HB3 ALA 15 HB3 ALA 15 -6.431 2.724 2.722 160 H ALA 16 HN ALA 16 -6.660 2.299 0.196 161 HA ALA 16 HA ALA 16 -8.965 3.696 -0.530 162 HB1 ALA 16 HB1 ALA 16 -6.696 4.335 -1.205 163 HB2 ALA 16 HB2 ALA 16 -7.803 4.255 -2.577 164 HB3 ALA 16 HB3 ALA 16 -6.647 2.954 -2.300 165 H ALA 17 HN ALA 17 -7.960 0.482 -1.329 166 HA ALA 17 HA ALA 17 -9.661 0.197 -3.607 167 HB1 ALA 17 HB1 ALA 17 -7.642 -1.130 -3.357 168 HB2 ALA 17 HB2 ALA 17 -9.067 -2.166 -3.480 169 HB3 ALA 17 HB3 ALA 17 -8.310 -1.880 -1.911 170 H PHE 18 HN PHE 18 -10.076 -0.180 -0.120 171 HA PHE 18 HA PHE 18 -12.454 -1.667 -0.381 172 HB2 PHE 18 HB2 PHE 18 -10.895 -0.392 1.818 173 HB3 PHE 18 HB1 PHE 18 -12.496 -1.033 2.096 174 HD1 PHE 18 HD1 PHE 18 -12.872 -3.508 1.644 175 HD2 PHE 18 HD2 PHE 18 -8.996 -1.773 1.767 176 HE1 PHE 18 HE1 PHE 18 -11.886 -5.734 1.986 177 HE2 PHE 18 HE2 PHE 18 -8.008 -3.995 2.105 178 HZ PHE 18 HZ PHE 18 -9.456 -5.983 2.212 179 H LYS 19 HN LYS 19 -11.528 1.629 -0.546 180 HA LYS 19 HA LYS 19 -14.058 2.658 0.392 181 HB2 LYS 19 HB2 LYS 19 -11.927 4.253 -1.022 182 HB3 LYS 19 HB1 LYS 19 -13.124 4.816 0.127 183 HG2 LYS 19 HG2 LYS 19 -10.669 3.170 0.704 184 HG3 LYS 19 HG1 LYS 19 -10.961 4.844 1.162 185 HD2 LYS 19 HD2 LYS 19 -12.573 2.491 2.141 186 HD3 LYS 19 HD1 LYS 19 -11.201 3.172 3.003 187 HE2 LYS 19 HE2 LYS 19 -12.377 5.305 3.175 188 HE3 LYS 19 HE1 LYS 19 -13.740 4.632 2.277 189 HZ1 LYS 19 HZ1 LYS 19 -14.039 3.019 4.033 190 HZ2 LYS 19 HZ2 LYS 19 -14.171 4.586 4.625 191 HZ3 LYS 19 HZ3 LYS 19 -12.767 3.699 4.924 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 14.229 6.219 0.767 2 H3 PRO 1 HT2 PRO 1 12.572 6.150 0.230 3 HA PRO 1 HA PRO 1 14.477 3.957 -0.219 4 HB2 PRO 1 HB2 PRO 1 12.727 3.242 1.913 5 HB3 PRO 1 HB1 PRO 1 14.491 3.363 1.957 6 HG2 PRO 1 HG2 PRO 1 12.779 5.073 3.297 7 HG3 PRO 1 HG1 PRO 1 14.446 5.462 2.861 8 HD2 PRO 1 HD2 PRO 1 11.897 6.242 1.571 9 HD3 PRO 1 HD1 PRO 1 13.361 7.203 1.758 10 H MET 2 HN MET 2 13.493 3.122 -1.990 11 HA MET 2 HA MET 2 10.760 3.668 -2.506 12 HB2 MET 2 HB2 MET 2 11.016 2.539 -4.597 13 HB3 MET 2 HB1 MET 2 12.451 3.503 -4.317 14 HG2 MET 2 HG2 MET 2 12.233 0.519 -3.922 15 HG3 MET 2 HG1 MET 2 12.941 1.310 -5.323 16 HE1 MET 2 HE1 MET 2 15.243 2.572 -5.310 17 HE2 MET 2 HE2 MET 2 16.196 2.885 -3.863 18 HE3 MET 2 HE3 MET 2 14.638 3.683 -4.080 19 H LYS 3 HN LYS 3 12.433 0.859 -1.286 20 HA LYS 3 HA LYS 3 10.296 -0.959 -1.691 21 HB2 LYS 3 HB2 LYS 3 12.587 -1.096 0.268 22 HB3 LYS 3 HB1 LYS 3 11.567 -2.432 -0.242 23 HG2 LYS 3 HG2 LYS 3 12.386 -2.333 -2.467 24 HG3 LYS 3 HG1 LYS 3 13.256 -0.837 -2.138 25 HD2 LYS 3 HD2 LYS 3 14.678 -2.027 -0.550 26 HD3 LYS 3 HD1 LYS 3 13.803 -3.521 -0.893 27 HE2 LYS 3 HE2 LYS 3 15.897 -3.388 -2.116 28 HE3 LYS 3 HE1 LYS 3 14.514 -3.434 -3.212 29 HZ1 LYS 3 HZ1 LYS 3 16.056 -1.003 -2.443 30 HZ2 LYS 3 HZ2 LYS 3 14.748 -1.023 -3.512 31 HZ3 LYS 3 HZ3 LYS 3 16.167 -1.806 -3.914 32 H LEU 4 HN LEU 4 11.229 1.163 0.918 33 HA LEU 4 HA LEU 4 9.264 0.131 2.729 34 HB2 LEU 4 HB2 LEU 4 10.811 2.721 2.834 35 HB3 LEU 4 HB1 LEU 4 9.836 2.072 4.137 36 HG LEU 4 HG LEU 4 12.334 0.800 3.015 37 HD11 LEU 4 HD11 LEU 4 11.830 2.168 5.637 38 HD12 LEU 4 HD12 LEU 4 12.796 2.799 4.303 39 HD13 LEU 4 HD13 LEU 4 13.322 1.353 5.167 40 HD21 LEU 4 HD21 LEU 4 10.772 -0.900 3.798 41 HD22 LEU 4 HD22 LEU 4 10.576 -0.040 5.324 42 HD23 LEU 4 HD23 LEU 4 12.132 -0.758 4.910 43 H LEU 5 HN LEU 5 9.394 2.652 0.328 44 HA LEU 5 HA LEU 5 6.879 3.767 1.043 45 HB2 LEU 5 HB2 LEU 5 8.404 3.894 -1.556 46 HB3 LEU 5 HB1 LEU 5 6.940 4.796 -1.227 47 HG LEU 5 HG LEU 5 9.584 5.126 0.192 48 HD11 LEU 5 HD11 LEU 5 8.118 6.904 -1.735 49 HD12 LEU 5 HD12 LEU 5 9.576 5.976 -2.072 50 HD13 LEU 5 HD13 LEU 5 9.623 7.297 -0.904 51 HD21 LEU 5 HD21 LEU 5 7.732 5.558 1.724 52 HD22 LEU 5 HD22 LEU 5 6.980 6.619 0.536 53 HD23 LEU 5 HD23 LEU 5 8.519 7.069 1.268 54 H LYS 6 HN LYS 6 7.916 1.071 -0.886 55 HA LYS 6 HA LYS 6 5.395 0.616 -2.080 56 HB2 LYS 6 HB2 LYS 6 7.714 -1.250 -1.589 57 HB3 LYS 6 HB1 LYS 6 6.247 -1.745 -2.419 58 HG2 LYS 6 HG2 LYS 6 8.117 0.443 -3.312 59 HG3 LYS 6 HG1 LYS 6 8.030 -1.187 -3.984 60 HD2 LYS 6 HD2 LYS 6 5.713 -0.787 -4.667 61 HD3 LYS 6 HD1 LYS 6 5.788 0.839 -3.993 62 HE2 LYS 6 HE2 LYS 6 7.552 1.423 -5.557 63 HE3 LYS 6 HE1 LYS 6 7.508 -0.207 -6.226 64 HZ1 LYS 6 HZ1 LYS 6 5.236 0.190 -6.961 65 HZ2 LYS 6 HZ2 LYS 6 6.264 1.390 -7.553 66 HZ3 LYS 6 HZ3 LYS 6 5.255 1.727 -6.268 67 H ARG 7 HN ARG 7 6.706 -0.126 1.020 68 HA ARG 7 HA ARG 7 4.560 -1.901 1.723 69 HB2 ARG 7 HB2 ARG 7 6.548 -0.423 3.462 70 HB3 ARG 7 HB1 ARG 7 5.365 -1.566 4.080 71 HG2 ARG 7 HG2 ARG 7 7.584 -2.195 2.136 72 HG3 ARG 7 HG1 ARG 7 7.564 -2.593 3.854 73 HD2 ARG 7 HD2 ARG 7 5.633 -3.633 1.768 74 HD3 ARG 7 HD1 ARG 7 6.954 -4.535 2.500 75 HE ARG 7 HE ARG 7 5.505 -3.708 4.618 76 HH11 ARG 7 HH11 ARG 7 4.585 -5.521 1.701 77 HH12 ARG 7 HH12 ARG 7 3.372 -6.423 2.490 78 HH21 ARG 7 HH21 ARG 7 3.869 -4.901 5.658 79 HH22 ARG 7 HH22 ARG 7 2.949 -6.067 4.822 80 H LEU 8 HN LEU 8 5.260 1.488 2.092 81 HA LEU 8 HA LEU 8 2.972 2.245 3.544 82 HB2 LEU 8 HB2 LEU 8 4.849 3.762 3.263 83 HB3 LEU 8 HB1 LEU 8 4.640 3.752 1.527 84 HG LEU 8 HG LEU 8 2.494 4.938 1.787 85 HD11 LEU 8 HD11 LEU 8 1.927 5.950 3.946 86 HD12 LEU 8 HD12 LEU 8 3.206 4.999 4.711 87 HD13 LEU 8 HD13 LEU 8 1.828 4.193 3.960 88 HD21 LEU 8 HD21 LEU 8 4.851 6.274 3.110 89 HD22 LEU 8 HD22 LEU 8 3.441 7.099 2.447 90 HD23 LEU 8 HD23 LEU 8 4.523 6.204 1.379 91 H GLY 9 HN GLY 9 3.636 2.293 0.063 92 HA2 GLY 9 HA2 GLY 9 1.127 3.046 -0.833 93 HA3 GLY 9 HA1 GLY 9 2.294 2.099 -1.752 94 H LYS 10 HN LYS 10 2.400 -0.121 -0.084 95 HA LYS 10 HA LYS 10 0.447 -1.809 -1.051 96 HB2 LYS 10 HB2 LYS 10 2.630 -2.465 -0.058 97 HB3 LYS 10 HB1 LYS 10 2.022 -2.065 1.525 98 HG2 LYS 10 HG2 LYS 10 0.837 -4.235 -0.204 99 HG3 LYS 10 HG1 LYS 10 2.153 -4.514 0.924 100 HD2 LYS 10 HD2 LYS 10 -0.620 -3.534 1.626 101 HD3 LYS 10 HD1 LYS 10 -0.007 -5.167 1.860 102 HE2 LYS 10 HE2 LYS 10 1.735 -4.209 3.394 103 HE3 LYS 10 HE1 LYS 10 0.938 -2.648 3.232 104 HZ1 LYS 10 HZ1 LYS 10 0.176 -3.756 5.226 105 HZ2 LYS 10 HZ2 LYS 10 -0.230 -5.118 4.355 106 HZ3 LYS 10 HZ3 LYS 10 -1.118 -3.722 4.133 107 H LYS 11 HN LYS 11 0.515 -0.153 2.110 108 HA LYS 11 HA LYS 11 -2.010 -1.329 2.810 109 HB2 LYS 11 HB2 LYS 11 -1.882 -0.087 4.904 110 HB3 LYS 11 HB1 LYS 11 -0.371 -0.910 4.578 111 HG2 LYS 11 HG2 LYS 11 0.619 1.205 3.853 112 HG3 LYS 11 HG1 LYS 11 -0.910 2.024 4.176 113 HD2 LYS 11 HD2 LYS 11 -0.756 1.312 6.534 114 HD3 LYS 11 HD1 LYS 11 0.801 0.572 6.171 115 HE2 LYS 11 HE2 LYS 11 1.703 2.753 5.551 116 HE3 LYS 11 HE1 LYS 11 0.144 3.500 5.892 117 HZ1 LYS 11 HZ1 LYS 11 1.714 3.750 7.732 118 HZ2 LYS 11 HZ2 LYS 11 1.820 2.074 7.882 119 HZ3 LYS 11 HZ3 LYS 11 0.362 2.843 8.190 120 H ILE 12 HN ILE 12 -0.923 1.758 1.564 121 HA ILE 12 HA ILE 12 -3.379 3.113 1.907 122 HB ILE 12 HB ILE 12 -1.184 3.610 -0.136 123 HG12 ILE 12 HG12 ILE 12 -0.348 3.823 2.148 124 HG13 ILE 12 HG11 ILE 12 -0.436 5.404 1.387 125 HG21 ILE 12 HG21 ILE 12 -3.441 5.426 0.706 126 HG22 ILE 12 HG22 ILE 12 -3.257 4.645 -0.865 127 HG23 ILE 12 HG23 ILE 12 -2.103 5.876 -0.350 128 HD11 ILE 12 HD11 ILE 12 -2.384 4.280 3.399 129 HD12 ILE 12 HD12 ILE 12 -2.520 5.853 2.616 130 HD13 ILE 12 HD13 ILE 12 -1.163 5.520 3.691 131 H ARG 13 HN ARG 13 -2.040 1.163 -0.679 132 HA ARG 13 HA ARG 13 -3.986 1.385 -2.613 133 HB2 ARG 13 HB2 ARG 13 -2.294 -0.965 -1.798 134 HB3 ARG 13 HB1 ARG 13 -3.401 -1.055 -3.156 135 HG2 ARG 13 HG2 ARG 13 -2.179 0.562 -4.375 136 HG3 ARG 13 HG1 ARG 13 -1.249 1.028 -2.949 137 HD2 ARG 13 HD2 ARG 13 0.044 -0.381 -4.510 138 HD3 ARG 13 HD1 ARG 13 -0.135 -1.116 -2.923 139 HE ARG 13 HE ARG 13 -2.150 -1.924 -4.760 140 HH11 ARG 13 HH11 ARG 13 1.209 -2.609 -3.770 141 HH12 ARG 13 HH12 ARG 13 1.190 -4.207 -4.321 142 HH21 ARG 13 HH21 ARG 13 -2.167 -4.170 -5.476 143 HH22 ARG 13 HH22 ARG 13 -0.775 -5.117 -5.313 144 H LEU 14 HN LEU 14 -3.920 -0.753 0.185 145 HA LEU 14 HA LEU 14 -6.370 -2.063 -0.367 146 HB2 LEU 14 HB2 LEU 14 -4.682 -3.021 1.134 147 HB3 LEU 14 HB1 LEU 14 -4.911 -1.695 2.252 148 HG LEU 14 HG LEU 14 -7.228 -2.469 2.660 149 HD11 LEU 14 HD11 LEU 14 -6.435 -4.806 0.935 150 HD12 LEU 14 HD12 LEU 14 -7.659 -3.591 0.562 151 HD13 LEU 14 HD13 LEU 14 -7.898 -4.696 1.914 152 HD21 LEU 14 HD21 LEU 14 -5.092 -4.544 3.110 153 HD22 LEU 14 HD22 LEU 14 -6.628 -4.435 3.970 154 HD23 LEU 14 HD23 LEU 14 -5.430 -3.155 4.145 155 H ALA 15 HN ALA 15 -5.515 0.692 1.665 156 HA ALA 15 HA ALA 15 -8.065 1.105 2.796 157 HB1 ALA 15 HB1 ALA 15 -5.848 3.108 2.366 158 HB2 ALA 15 HB2 ALA 15 -6.003 2.031 3.754 159 HB3 ALA 15 HB3 ALA 15 -7.208 3.288 3.475 160 H ALA 16 HN ALA 16 -6.520 2.411 -0.075 161 HA ALA 16 HA ALA 16 -8.660 4.175 -0.741 162 HB1 ALA 16 HB1 ALA 16 -6.375 3.188 -2.444 163 HB2 ALA 16 HB2 ALA 16 -6.323 4.591 -1.382 164 HB3 ALA 16 HB3 ALA 16 -7.394 4.589 -2.779 165 H ALA 17 HN ALA 17 -7.910 0.860 -1.419 166 HA ALA 17 HA ALA 17 -9.809 0.633 -3.570 167 HB1 ALA 17 HB1 ALA 17 -8.439 -1.544 -1.993 168 HB2 ALA 17 HB2 ALA 17 -7.822 -0.809 -3.472 169 HB3 ALA 17 HB3 ALA 17 -9.315 -1.746 -3.511 170 H PHE 18 HN PHE 18 -9.814 0.390 -0.180 171 HA PHE 18 HA PHE 18 -12.110 -1.201 0.205 172 HB2 PHE 18 HB2 PHE 18 -10.464 -0.858 1.965 173 HB3 PHE 18 HB1 PHE 18 -10.804 0.866 1.983 174 HD1 PHE 18 HD1 PHE 18 -12.342 1.703 3.507 175 HD2 PHE 18 HD2 PHE 18 -12.444 -2.420 2.476 176 HE1 PHE 18 HE1 PHE 18 -14.070 1.323 5.206 177 HE2 PHE 18 HE2 PHE 18 -14.168 -2.801 4.169 178 HZ PHE 18 HZ PHE 18 -14.986 -0.928 5.538 179 H LYS 19 HN LYS 19 -11.632 2.262 -0.180 180 HA LYS 19 HA LYS 19 -14.279 3.020 0.432 181 HB2 LYS 19 HB2 LYS 19 -12.227 4.471 -1.228 182 HB3 LYS 19 HB1 LYS 19 -13.637 5.188 -0.459 183 HG2 LYS 19 HG2 LYS 19 -11.252 3.964 0.930 184 HG3 LYS 19 HG1 LYS 19 -11.642 5.680 0.825 185 HD2 LYS 19 HD2 LYS 19 -13.424 3.625 2.128 186 HD3 LYS 19 HD1 LYS 19 -12.212 4.561 2.981 187 HE2 LYS 19 HE2 LYS 19 -13.350 6.620 2.477 188 HE3 LYS 19 HE1 LYS 19 -14.438 5.814 1.354 189 HZ1 LYS 19 HZ1 LYS 19 -14.373 5.352 4.296 190 HZ2 LYS 19 HZ2 LYS 19 -15.450 4.657 3.187 191 HZ3 LYS 19 HZ3 LYS 19 -15.490 6.301 3.465 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 13.824 5.711 0.897 2 H3 PRO 1 HT2 PRO 1 15.113 5.608 1.831 3 HA PRO 1 HA PRO 1 15.188 3.774 0.416 4 HB2 PRO 1 HB2 PRO 1 13.920 2.051 2.284 5 HB3 PRO 1 HB1 PRO 1 15.647 2.379 2.140 6 HG2 PRO 1 HG2 PRO 1 13.647 3.557 3.973 7 HG3 PRO 1 HG1 PRO 1 15.397 3.389 4.183 8 HD2 PRO 1 HD2 PRO 1 14.296 5.770 3.739 9 HD3 PRO 1 HD1 PRO 1 15.867 5.313 3.075 10 H MET 2 HN MET 2 14.104 2.971 -1.243 11 HA MET 2 HA MET 2 11.466 3.482 -1.834 12 HB2 MET 2 HB2 MET 2 13.252 1.320 -2.953 13 HB3 MET 2 HB1 MET 2 11.712 1.792 -3.645 14 HG2 MET 2 HG2 MET 2 13.412 2.829 -4.917 15 HG3 MET 2 HG1 MET 2 12.645 4.081 -3.943 16 HE1 MET 2 HE1 MET 2 15.285 4.640 -5.420 17 HE2 MET 2 HE2 MET 2 16.291 5.381 -4.182 18 HE3 MET 2 HE3 MET 2 14.587 5.810 -4.302 19 H LYS 3 HN LYS 3 12.862 0.687 -0.312 20 HA LYS 3 HA LYS 3 10.733 -1.081 -0.546 21 HB2 LYS 3 HB2 LYS 3 11.699 -2.244 1.440 22 HB3 LYS 3 HB1 LYS 3 12.845 -1.912 0.153 23 HG2 LYS 3 HG2 LYS 3 13.626 0.063 1.452 24 HG3 LYS 3 HG1 LYS 3 12.564 -0.444 2.765 25 HD2 LYS 3 HD2 LYS 3 13.745 -2.549 2.954 26 HD3 LYS 3 HD1 LYS 3 14.755 -2.138 1.571 27 HE2 LYS 3 HE2 LYS 3 15.640 -0.210 2.819 28 HE3 LYS 3 HE1 LYS 3 14.672 -0.674 4.210 29 HZ1 LYS 3 HZ1 LYS 3 16.974 -1.467 4.404 30 HZ2 LYS 3 HZ2 LYS 3 16.820 -2.328 2.985 31 HZ3 LYS 3 HZ3 LYS 3 15.920 -2.767 4.315 32 H LEU 4 HN LEU 4 11.042 1.606 1.658 33 HA LEU 4 HA LEU 4 8.864 0.670 3.309 34 HB2 LEU 4 HB2 LEU 4 10.305 3.323 3.306 35 HB3 LEU 4 HB1 LEU 4 9.094 2.848 4.476 36 HG LEU 4 HG LEU 4 11.812 1.579 4.111 37 HD11 LEU 4 HD11 LEU 4 10.675 3.233 6.353 38 HD12 LEU 4 HD12 LEU 4 11.892 3.757 5.193 39 HD13 LEU 4 HD13 LEU 4 12.263 2.468 6.339 40 HD21 LEU 4 HD21 LEU 4 11.241 0.268 6.120 41 HD22 LEU 4 HD22 LEU 4 10.198 -0.117 4.757 42 HD23 LEU 4 HD23 LEU 4 9.602 0.916 6.060 43 H LEU 5 HN LEU 5 9.385 3.009 0.761 44 HA LEU 5 HA LEU 5 6.771 4.124 0.787 45 HB2 LEU 5 HB2 LEU 5 8.847 3.962 -1.408 46 HB3 LEU 5 HB1 LEU 5 7.301 4.731 -1.643 47 HG LEU 5 HG LEU 5 7.924 6.364 0.168 48 HD11 LEU 5 HD11 LEU 5 10.655 5.140 -0.107 49 HD12 LEU 5 HD12 LEU 5 9.618 5.070 1.317 50 HD13 LEU 5 HD13 LEU 5 10.260 6.620 0.768 51 HD21 LEU 5 HD21 LEU 5 8.096 6.948 -2.170 52 HD22 LEU 5 HD22 LEU 5 9.705 6.233 -2.252 53 HD23 LEU 5 HD23 LEU 5 9.427 7.665 -1.261 54 H LYS 6 HN LYS 6 8.269 1.434 -0.789 55 HA LYS 6 HA LYS 6 6.162 0.615 -2.446 56 HB2 LYS 6 HB2 LYS 6 8.500 -0.152 -2.620 57 HB3 LYS 6 HB1 LYS 6 8.320 -1.028 -1.110 58 HG2 LYS 6 HG2 LYS 6 6.605 -2.442 -2.156 59 HG3 LYS 6 HG1 LYS 6 6.840 -1.571 -3.669 60 HD2 LYS 6 HD2 LYS 6 8.974 -3.136 -2.219 61 HD3 LYS 6 HD1 LYS 6 8.063 -3.712 -3.610 62 HE2 LYS 6 HE2 LYS 6 8.962 -1.779 -4.915 63 HE3 LYS 6 HE1 LYS 6 9.955 -1.366 -3.522 64 HZ1 LYS 6 HZ1 LYS 6 11.194 -2.666 -5.132 65 HZ2 LYS 6 HZ2 LYS 6 10.081 -3.919 -5.019 66 HZ3 LYS 6 HZ3 LYS 6 11.027 -3.527 -3.691 67 H ARG 7 HN ARG 7 7.047 -0.185 0.876 68 HA ARG 7 HA ARG 7 5.062 -2.076 1.430 69 HB2 ARG 7 HB2 ARG 7 6.989 -1.686 2.901 70 HB3 ARG 7 HB1 ARG 7 6.391 -0.085 3.281 71 HG2 ARG 7 HG2 ARG 7 5.955 -1.610 5.114 72 HG3 ARG 7 HG1 ARG 7 4.439 -1.083 4.388 73 HD2 ARG 7 HD2 ARG 7 4.380 -3.464 4.881 74 HD3 ARG 7 HD1 ARG 7 4.302 -3.186 3.141 75 HE ARG 7 HE ARG 7 6.973 -3.568 3.805 76 HH11 ARG 7 HH11 ARG 7 3.985 -5.440 3.795 77 HH12 ARG 7 HH12 ARG 7 4.745 -6.954 3.623 78 HH21 ARG 7 HH21 ARG 7 8.049 -5.659 3.559 79 HH22 ARG 7 HH22 ARG 7 7.112 -7.064 3.500 80 H LEU 8 HN LEU 8 5.073 1.443 1.694 81 HA LEU 8 HA LEU 8 2.465 1.581 2.810 82 HB2 LEU 8 HB2 LEU 8 4.112 3.372 3.108 83 HB3 LEU 8 HB1 LEU 8 4.062 3.706 1.388 84 HG LEU 8 HG LEU 8 1.688 4.363 1.607 85 HD11 LEU 8 HD11 LEU 8 2.169 4.003 4.558 86 HD12 LEU 8 HD12 LEU 8 1.059 3.069 3.551 87 HD13 LEU 8 HD13 LEU 8 0.763 4.783 3.836 88 HD21 LEU 8 HD21 LEU 8 3.619 5.815 3.397 89 HD22 LEU 8 HD22 LEU 8 2.110 6.477 2.765 90 HD23 LEU 8 HD23 LEU 8 3.417 6.050 1.660 91 H GLY 9 HN GLY 9 3.753 1.514 -0.404 92 HA2 GLY 9 HA2 GLY 9 1.760 2.566 -1.972 93 HA3 GLY 9 HA1 GLY 9 2.804 1.240 -2.453 94 H LYS 10 HN LYS 10 2.018 -0.842 -0.997 95 HA LYS 10 HA LYS 10 -0.513 -1.369 -2.192 96 HB2 LYS 10 HB2 LYS 10 -0.474 -3.633 -1.216 97 HB3 LYS 10 HB1 LYS 10 0.997 -3.266 -2.081 98 HG2 LYS 10 HG2 LYS 10 0.848 -2.982 0.907 99 HG3 LYS 10 HG1 LYS 10 1.095 -4.558 0.168 100 HD2 LYS 10 HD2 LYS 10 2.876 -2.144 -0.265 101 HD3 LYS 10 HD1 LYS 10 3.194 -3.440 0.878 102 HE2 LYS 10 HE2 LYS 10 2.937 -3.794 -2.117 103 HE3 LYS 10 HE1 LYS 10 4.449 -3.698 -1.226 104 HZ1 LYS 10 HZ1 LYS 10 2.371 -5.782 -0.814 105 HZ2 LYS 10 HZ2 LYS 10 3.871 -5.738 -0.061 106 HZ3 LYS 10 HZ3 LYS 10 3.763 -5.980 -1.722 107 H LYS 11 HN LYS 11 0.484 -0.512 1.007 108 HA LYS 11 HA LYS 11 -1.892 -1.220 2.348 109 HB2 LYS 11 HB2 LYS 11 0.193 0.838 3.036 110 HB3 LYS 11 HB1 LYS 11 -1.118 0.349 4.097 111 HG2 LYS 11 HG2 LYS 11 -0.241 -1.925 4.153 112 HG3 LYS 11 HG1 LYS 11 1.057 -1.456 3.054 113 HD2 LYS 11 HD2 LYS 11 1.849 -1.504 5.373 114 HD3 LYS 11 HD1 LYS 11 1.900 0.135 4.723 115 HE2 LYS 11 HE2 LYS 11 -0.158 0.685 5.857 116 HE3 LYS 11 HE1 LYS 11 -0.316 -0.973 6.446 117 HZ1 LYS 11 HZ1 LYS 11 0.536 0.487 8.143 118 HZ2 LYS 11 HZ2 LYS 11 1.792 0.993 7.155 119 HZ3 LYS 11 HZ3 LYS 11 1.750 -0.602 7.704 120 H ILE 12 HN ILE 12 -0.836 1.843 0.887 121 HA ILE 12 HA ILE 12 -3.123 3.249 1.799 122 HB ILE 12 HB ILE 12 -1.013 4.428 1.287 123 HG12 ILE 12 HG12 ILE 12 -3.324 5.412 -0.409 124 HG13 ILE 12 HG11 ILE 12 -3.143 5.683 1.319 125 HG21 ILE 12 HG21 ILE 12 -1.627 3.854 -1.605 126 HG22 ILE 12 HG22 ILE 12 -0.272 3.221 -0.675 127 HG23 ILE 12 HG23 ILE 12 -0.368 4.948 -1.032 128 HD11 ILE 12 HD11 ILE 12 -2.527 7.657 0.039 129 HD12 ILE 12 HD12 ILE 12 -1.312 6.724 -0.838 130 HD13 ILE 12 HD13 ILE 12 -1.129 7.004 0.893 131 H ARG 13 HN ARG 13 -2.363 1.637 -1.209 132 HA ARG 13 HA ARG 13 -4.733 2.549 -2.506 133 HB2 ARG 13 HB2 ARG 13 -4.274 0.943 -4.282 134 HB3 ARG 13 HB1 ARG 13 -2.803 1.781 -3.834 135 HG2 ARG 13 HG2 ARG 13 -2.162 -0.186 -2.479 136 HG3 ARG 13 HG1 ARG 13 -3.587 -1.026 -3.089 137 HD2 ARG 13 HD2 ARG 13 -1.658 -1.671 -4.403 138 HD3 ARG 13 HD1 ARG 13 -2.753 -0.695 -5.385 139 HE ARG 13 HE ARG 13 -0.930 1.044 -4.263 140 HH11 ARG 13 HH11 ARG 13 -0.861 -1.631 -6.584 141 HH12 ARG 13 HH12 ARG 13 0.524 -1.090 -7.398 142 HH21 ARG 13 HH21 ARG 13 0.905 1.827 -5.391 143 HH22 ARG 13 HH22 ARG 13 1.580 0.961 -6.703 144 H LEU 14 HN LEU 14 -3.980 -0.209 -0.502 145 HA LEU 14 HA LEU 14 -6.419 -1.583 -0.931 146 HB2 LEU 14 HB2 LEU 14 -4.416 -2.667 -0.006 147 HB3 LEU 14 HB1 LEU 14 -4.512 -1.646 1.409 148 HG LEU 14 HG LEU 14 -6.651 -2.732 2.021 149 HD11 LEU 14 HD11 LEU 14 -6.061 -4.536 -0.322 150 HD12 LEU 14 HD12 LEU 14 -7.413 -3.409 -0.185 151 HD13 LEU 14 HD13 LEU 14 -7.312 -4.801 0.891 152 HD21 LEU 14 HD21 LEU 14 -4.327 -4.601 1.586 153 HD22 LEU 14 HD22 LEU 14 -5.673 -4.873 2.690 154 HD23 LEU 14 HD23 LEU 14 -4.564 -3.530 2.969 155 H ALA 15 HN ALA 15 -5.311 0.851 1.345 156 HA ALA 15 HA ALA 15 -7.568 0.921 3.021 157 HB1 ALA 15 HB1 ALA 15 -5.418 1.980 3.594 158 HB2 ALA 15 HB2 ALA 15 -6.760 3.115 3.722 159 HB3 ALA 15 HB3 ALA 15 -5.682 3.178 2.328 160 H ALA 16 HN ALA 16 -6.750 2.673 0.082 161 HA ALA 16 HA ALA 16 -9.056 4.274 -0.034 162 HB1 ALA 16 HB1 ALA 16 -8.475 4.631 -2.382 163 HB2 ALA 16 HB2 ALA 16 -7.339 3.283 -2.312 164 HB3 ALA 16 HB3 ALA 16 -7.041 4.736 -1.359 165 H ALA 17 HN ALA 17 -8.342 1.069 -1.327 166 HA ALA 17 HA ALA 17 -10.773 0.754 -2.739 167 HB1 ALA 17 HB1 ALA 17 -8.791 -0.605 -3.210 168 HB2 ALA 17 HB2 ALA 17 -10.193 -1.614 -2.860 169 HB3 ALA 17 HB3 ALA 17 -8.948 -1.377 -1.634 170 H PHE 18 HN PHE 18 -9.850 0.259 0.549 171 HA PHE 18 HA PHE 18 -11.989 -1.382 1.375 172 HB2 PHE 18 HB2 PHE 18 -9.839 -1.126 2.599 173 HB3 PHE 18 HB1 PHE 18 -10.291 0.515 3.019 174 HD1 PHE 18 HD1 PHE 18 -11.416 0.913 5.026 175 HD2 PHE 18 HD2 PHE 18 -11.413 -3.010 3.379 176 HE1 PHE 18 HE1 PHE 18 -12.499 0.056 7.058 177 HE2 PHE 18 HE2 PHE 18 -12.496 -3.860 5.409 178 HZ PHE 18 HZ PHE 18 -13.040 -2.329 7.251 179 H LYS 19 HN LYS 19 -11.721 2.073 0.895 180 HA LYS 19 HA LYS 19 -14.309 2.468 2.178 181 HB2 LYS 19 HB2 LYS 19 -12.164 4.402 1.316 182 HB3 LYS 19 HB1 LYS 19 -13.807 4.947 1.584 183 HG2 LYS 19 HG2 LYS 19 -12.519 5.407 3.541 184 HG3 LYS 19 HG1 LYS 19 -13.651 4.118 3.917 185 HD2 LYS 19 HD2 LYS 19 -11.837 2.480 3.615 186 HD3 LYS 19 HD1 LYS 19 -10.716 3.801 3.295 187 HE2 LYS 19 HE2 LYS 19 -12.264 3.374 5.855 188 HE3 LYS 19 HE1 LYS 19 -10.553 3.034 5.606 189 HZ1 LYS 19 HZ1 LYS 19 -10.885 5.166 6.714 190 HZ2 LYS 19 HZ2 LYS 19 -11.819 5.716 5.444 191 HZ3 LYS 19 HZ3 LYS 19 -10.190 5.392 5.202 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 13.490 6.127 -1.467 2 H3 PRO 1 HT2 PRO 1 13.431 6.820 0.016 3 HA PRO 1 HA PRO 1 14.250 4.482 -0.092 4 HB2 PRO 1 HB2 PRO 1 11.857 4.023 1.454 5 HB3 PRO 1 HB1 PRO 1 13.510 4.291 2.024 6 HG2 PRO 1 HG2 PRO 1 11.504 6.118 2.366 7 HG3 PRO 1 HG1 PRO 1 13.212 6.557 2.243 8 HD2 PRO 1 HD2 PRO 1 11.039 6.714 0.241 9 HD3 PRO 1 HD1 PRO 1 12.345 7.852 0.508 10 H MET 2 HN MET 2 14.036 2.607 -1.234 11 HA MET 2 HA MET 2 11.920 2.375 -3.093 12 HB2 MET 2 HB2 MET 2 14.108 0.432 -2.377 13 HB3 MET 2 HB1 MET 2 12.908 0.108 -3.608 14 HG2 MET 2 HG2 MET 2 14.895 0.838 -4.681 15 HG3 MET 2 HG1 MET 2 13.709 2.127 -4.826 16 HE1 MET 2 HE1 MET 2 15.652 3.781 -5.558 17 HE2 MET 2 HE2 MET 2 16.824 2.473 -5.396 18 HE3 MET 2 HE3 MET 2 17.126 4.029 -4.622 19 H LYS 3 HN LYS 3 12.621 0.508 -0.137 20 HA LYS 3 HA LYS 3 10.503 -1.321 -0.778 21 HB2 LYS 3 HB2 LYS 3 12.180 -1.062 1.691 22 HB3 LYS 3 HB1 LYS 3 11.015 -2.347 1.405 23 HG2 LYS 3 HG2 LYS 3 12.312 -3.076 -0.528 24 HG3 LYS 3 HG1 LYS 3 13.476 -1.780 -0.229 25 HD2 LYS 3 HD2 LYS 3 13.976 -2.717 1.962 26 HD3 LYS 3 HD1 LYS 3 12.787 -3.992 1.698 27 HE2 LYS 3 HE2 LYS 3 14.078 -4.790 -0.215 28 HE3 LYS 3 HE1 LYS 3 15.270 -3.521 0.062 29 HZ1 LYS 3 HZ1 LYS 3 14.591 -5.682 1.975 30 HZ2 LYS 3 HZ2 LYS 3 15.785 -4.493 2.194 31 HZ3 LYS 3 HZ3 LYS 3 15.943 -5.641 0.972 32 H LEU 4 HN LEU 4 10.979 0.790 2.059 33 HA LEU 4 HA LEU 4 8.434 0.222 3.041 34 HB2 LEU 4 HB2 LEU 4 8.656 2.144 4.596 35 HB3 LEU 4 HB1 LEU 4 9.962 0.990 4.655 36 HG LEU 4 HG LEU 4 10.330 3.467 3.011 37 HD11 LEU 4 HD11 LEU 4 9.400 4.203 5.195 38 HD12 LEU 4 HD12 LEU 4 11.083 4.657 4.974 39 HD13 LEU 4 HD13 LEU 4 10.673 3.289 6.010 40 HD21 LEU 4 HD21 LEU 4 12.016 1.685 3.025 41 HD22 LEU 4 HD22 LEU 4 12.130 1.818 4.778 42 HD23 LEU 4 HD23 LEU 4 12.618 3.169 3.755 43 H LEU 5 HN LEU 5 9.340 2.704 0.784 44 HA LEU 5 HA LEU 5 6.948 4.207 1.093 45 HB2 LEU 5 HB2 LEU 5 8.923 5.142 -0.020 46 HB3 LEU 5 HB1 LEU 5 8.743 3.981 -1.320 47 HG LEU 5 HG LEU 5 6.506 5.008 -1.817 48 HD11 LEU 5 HD11 LEU 5 6.053 7.247 -0.989 49 HD12 LEU 5 HD12 LEU 5 7.474 7.152 0.047 50 HD13 LEU 5 HD13 LEU 5 6.105 6.075 0.330 51 HD21 LEU 5 HD21 LEU 5 8.905 6.806 -2.021 52 HD22 LEU 5 HD22 LEU 5 7.436 6.923 -2.990 53 HD23 LEU 5 HD23 LEU 5 8.482 5.511 -3.141 54 H LYS 6 HN LYS 6 7.847 1.448 -0.905 55 HA LYS 6 HA LYS 6 5.387 1.543 -2.379 56 HB2 LYS 6 HB2 LYS 6 7.492 -0.618 -2.255 57 HB3 LYS 6 HB1 LYS 6 6.150 -0.577 -3.387 58 HG2 LYS 6 HG2 LYS 6 8.408 1.413 -3.230 59 HG3 LYS 6 HG1 LYS 6 8.216 0.151 -4.441 60 HD2 LYS 6 HD2 LYS 6 6.164 1.221 -5.233 61 HD3 LYS 6 HD1 LYS 6 6.338 2.475 -4.002 62 HE2 LYS 6 HE2 LYS 6 8.462 3.150 -4.973 63 HE3 LYS 6 HE1 LYS 6 8.321 1.886 -6.190 64 HZ1 LYS 6 HZ1 LYS 6 6.349 2.984 -7.044 65 HZ2 LYS 6 HZ2 LYS 6 7.656 4.053 -7.037 66 HZ3 LYS 6 HZ3 LYS 6 6.469 4.176 -5.862 67 H ARG 7 HN ARG 7 6.640 -0.138 0.404 68 HA ARG 7 HA ARG 7 4.452 -1.934 0.660 69 HB2 ARG 7 HB2 ARG 7 6.239 -0.836 2.845 70 HB3 ARG 7 HB1 ARG 7 5.179 -2.227 2.992 71 HG2 ARG 7 HG2 ARG 7 6.509 -3.357 1.231 72 HG3 ARG 7 HG1 ARG 7 7.614 -1.984 1.253 73 HD2 ARG 7 HD2 ARG 7 8.497 -3.739 2.629 74 HD3 ARG 7 HD1 ARG 7 8.013 -2.389 3.656 75 HE ARG 7 HE ARG 7 5.887 -4.191 3.416 76 HH11 ARG 7 HH11 ARG 7 9.037 -3.987 4.988 77 HH12 ARG 7 HH12 ARG 7 8.675 -5.145 6.184 78 HH21 ARG 7 HH21 ARG 7 5.375 -5.744 5.041 79 HH22 ARG 7 HH22 ARG 7 6.519 -6.185 6.214 80 H LEU 8 HN LEU 8 5.161 1.265 1.991 81 HA LEU 8 HA LEU 8 2.820 1.687 3.432 82 HB2 LEU 8 HB2 LEU 8 4.756 3.179 3.514 83 HB3 LEU 8 HB1 LEU 8 4.494 3.633 1.846 84 HG LEU 8 HG LEU 8 2.313 4.638 2.532 85 HD11 LEU 8 HD11 LEU 8 1.932 3.388 4.569 86 HD12 LEU 8 HD12 LEU 8 1.952 5.121 4.896 87 HD13 LEU 8 HD13 LEU 8 3.351 4.130 5.310 88 HD21 LEU 8 HD21 LEU 8 4.310 5.991 2.204 89 HD22 LEU 8 HD22 LEU 8 4.775 5.714 3.884 90 HD23 LEU 8 HD23 LEU 8 3.311 6.624 3.511 91 H GLY 9 HN GLY 9 3.621 2.315 0.053 92 HA2 GLY 9 HA2 GLY 9 1.209 3.435 -0.799 93 HA3 GLY 9 HA1 GLY 9 2.350 2.580 -1.826 94 H LYS 10 HN LYS 10 2.192 0.073 -0.553 95 HA LYS 10 HA LYS 10 -0.007 -1.117 -1.810 96 HB2 LYS 10 HB2 LYS 10 2.118 -2.267 -1.226 97 HB3 LYS 10 HB1 LYS 10 1.686 -2.168 0.470 98 HG2 LYS 10 HG2 LYS 10 -0.247 -3.619 0.049 99 HG3 LYS 10 HG1 LYS 10 0.220 -3.725 -1.651 100 HD2 LYS 10 HD2 LYS 10 2.366 -4.710 -0.997 101 HD3 LYS 10 HD1 LYS 10 1.894 -4.619 0.701 102 HE2 LYS 10 HE2 LYS 10 -0.019 -6.112 0.193 103 HE3 LYS 10 HE1 LYS 10 0.562 -6.243 -1.463 104 HZ1 LYS 10 HZ1 LYS 10 2.096 -7.060 0.940 105 HZ2 LYS 10 HZ2 LYS 10 2.569 -7.289 -0.666 106 HZ3 LYS 10 HZ3 LYS 10 1.238 -8.101 -0.051 107 H LYS 11 HN LYS 11 0.545 -0.093 1.519 108 HA LYS 11 HA LYS 11 -1.966 -1.029 2.523 109 HB2 LYS 11 HB2 LYS 11 -0.080 1.058 3.640 110 HB3 LYS 11 HB1 LYS 11 -1.447 0.375 4.503 111 HG2 LYS 11 HG2 LYS 11 0.959 -1.166 3.540 112 HG3 LYS 11 HG1 LYS 11 0.689 -0.611 5.191 113 HD2 LYS 11 HD2 LYS 11 -1.353 -1.988 5.296 114 HD3 LYS 11 HD1 LYS 11 -1.033 -2.573 3.662 115 HE2 LYS 11 HE2 LYS 11 1.088 -3.526 4.425 116 HE3 LYS 11 HE1 LYS 11 0.764 -2.947 6.056 117 HZ1 LYS 11 HZ1 LYS 11 0.172 -5.280 5.834 118 HZ2 LYS 11 HZ2 LYS 11 -0.852 -4.938 4.559 119 HZ3 LYS 11 HZ3 LYS 11 -1.228 -4.383 6.086 120 H ILE 12 HN ILE 12 -0.774 2.024 1.287 121 HA ILE 12 HA ILE 12 -2.995 3.662 1.836 122 HB ILE 12 HB ILE 12 -1.063 3.836 -0.495 123 HG12 ILE 12 HG12 ILE 12 0.100 3.993 1.644 124 HG13 ILE 12 HG11 ILE 12 0.110 5.546 0.826 125 HG21 ILE 12 HG21 ILE 12 -1.703 6.178 -0.710 126 HG22 ILE 12 HG22 ILE 12 -2.916 5.965 0.551 127 HG23 ILE 12 HG23 ILE 12 -3.073 5.101 -0.978 128 HD11 ILE 12 HD11 ILE 12 -1.673 4.760 3.124 129 HD12 ILE 12 HD12 ILE 12 -1.675 6.321 2.303 130 HD13 ILE 12 HD13 ILE 12 -0.252 5.803 3.204 131 H ARG 13 HN ARG 13 -2.209 1.791 -1.078 132 HA ARG 13 HA ARG 13 -4.628 2.488 -2.383 133 HB2 ARG 13 HB2 ARG 13 -4.081 0.766 -4.049 134 HB3 ARG 13 HB1 ARG 13 -2.705 1.796 -3.705 135 HG2 ARG 13 HG2 ARG 13 -1.688 0.069 -2.390 136 HG3 ARG 13 HG1 ARG 13 -3.118 -0.952 -2.560 137 HD2 ARG 13 HD2 ARG 13 -1.367 -0.007 -4.830 138 HD3 ARG 13 HD1 ARG 13 -1.307 -1.613 -4.102 139 HE ARG 13 HE ARG 13 -3.925 -0.944 -4.972 140 HH11 ARG 13 HH11 ARG 13 -0.811 -1.966 -6.289 141 HH12 ARG 13 HH12 ARG 13 -1.511 -2.918 -7.523 142 HH21 ARG 13 HH21 ARG 13 -4.855 -2.202 -6.732 143 HH22 ARG 13 HH22 ARG 13 -3.828 -3.039 -7.789 144 H LEU 14 HN LEU 14 -3.728 -0.082 -0.230 145 HA LEU 14 HA LEU 14 -5.948 -1.750 -0.619 146 HB2 LEU 14 HB2 LEU 14 -3.950 -2.428 0.638 147 HB3 LEU 14 HB1 LEU 14 -4.337 -1.262 1.884 148 HG LEU 14 HG LEU 14 -6.422 -2.532 2.360 149 HD11 LEU 14 HD11 LEU 14 -5.247 -4.548 0.453 150 HD12 LEU 14 HD12 LEU 14 -6.736 -3.628 0.222 151 HD13 LEU 14 HD13 LEU 14 -6.626 -4.820 1.516 152 HD21 LEU 14 HD21 LEU 14 -3.842 -4.070 2.573 153 HD22 LEU 14 HD22 LEU 14 -5.304 -4.367 3.514 154 HD23 LEU 14 HD23 LEU 14 -4.429 -2.846 3.701 155 H ALA 15 HN ALA 15 -5.379 0.938 1.607 156 HA ALA 15 HA ALA 15 -7.896 0.852 2.851 157 HB1 ALA 15 HB1 ALA 15 -7.376 3.101 3.658 158 HB2 ALA 15 HB2 ALA 15 -6.047 3.212 2.502 159 HB3 ALA 15 HB3 ALA 15 -5.980 2.034 3.810 160 H ALA 16 HN ALA 16 -6.787 2.439 -0.064 161 HA ALA 16 HA ALA 16 -9.104 4.051 -0.461 162 HB1 ALA 16 HB1 ALA 16 -6.947 4.567 -1.509 163 HB2 ALA 16 HB2 ALA 16 -8.232 4.418 -2.709 164 HB3 ALA 16 HB3 ALA 16 -7.078 3.104 -2.483 165 H ALA 17 HN ALA 17 -8.205 0.822 -1.407 166 HA ALA 17 HA ALA 17 -10.545 0.448 -3.048 167 HB1 ALA 17 HB1 ALA 17 -8.447 -0.665 -3.622 168 HB2 ALA 17 HB2 ALA 17 -9.731 -1.838 -3.325 169 HB3 ALA 17 HB3 ALA 17 -8.497 -1.550 -2.097 170 H PHE 18 HN PHE 18 -9.632 -0.002 0.217 171 HA PHE 18 HA PHE 18 -11.402 -2.017 1.018 172 HB2 PHE 18 HB2 PHE 18 -9.378 -1.143 2.258 173 HB3 PHE 18 HB1 PHE 18 -10.344 0.245 2.719 174 HD1 PHE 18 HD1 PHE 18 -11.938 0.092 4.514 175 HD2 PHE 18 HD2 PHE 18 -9.908 -3.376 3.106 176 HE1 PHE 18 HE1 PHE 18 -12.688 -1.160 6.497 177 HE2 PHE 18 HE2 PHE 18 -10.667 -4.624 5.081 178 HZ PHE 18 HZ PHE 18 -12.055 -3.511 6.781 179 H LYS 19 HN LYS 19 -11.758 1.474 0.812 180 HA LYS 19 HA LYS 19 -14.392 1.414 1.981 181 HB2 LYS 19 HB2 LYS 19 -12.737 3.623 0.781 182 HB3 LYS 19 HB1 LYS 19 -14.431 3.870 1.150 183 HG2 LYS 19 HG2 LYS 19 -13.105 4.766 2.926 184 HG3 LYS 19 HG1 LYS 19 -13.935 3.329 3.517 185 HD2 LYS 19 HD2 LYS 19 -11.891 2.036 3.253 186 HD3 LYS 19 HD1 LYS 19 -11.066 3.451 2.604 187 HE2 LYS 19 HE2 LYS 19 -12.221 3.183 5.375 188 HE3 LYS 19 HE1 LYS 19 -10.513 3.103 4.948 189 HZ1 LYS 19 HZ1 LYS 19 -12.292 5.466 4.660 190 HZ2 LYS 19 HZ2 LYS 19 -10.689 5.413 4.140 191 HZ3 LYS 19 HZ3 LYS 19 -11.051 5.278 5.778 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 16.803 0.169 2.750 2 H3 PRO 1 HT2 PRO 1 15.249 0.891 3.128 3 HA PRO 1 HA PRO 1 16.091 -0.015 0.446 4 HB2 PRO 1 HB2 PRO 1 14.045 -1.661 1.700 5 HB3 PRO 1 HB1 PRO 1 15.537 -2.151 0.884 6 HG2 PRO 1 HG2 PRO 1 15.225 -2.349 3.568 7 HG3 PRO 1 HG1 PRO 1 16.795 -2.041 2.809 8 HD2 PRO 1 HD2 PRO 1 14.919 -0.185 4.163 9 HD3 PRO 1 HD1 PRO 1 16.670 -0.209 4.271 10 H MET 2 HN MET 2 14.732 0.691 -1.041 11 HA MET 2 HA MET 2 12.738 2.565 -0.268 12 HB2 MET 2 HB2 MET 2 13.383 1.520 -3.020 13 HB3 MET 2 HB1 MET 2 12.351 2.895 -2.668 14 HG2 MET 2 HG2 MET 2 15.314 2.648 -2.224 15 HG3 MET 2 HG1 MET 2 14.462 3.744 -3.312 16 HE1 MET 2 HE1 MET 2 12.918 5.786 -2.431 17 HE2 MET 2 HE2 MET 2 12.704 6.161 -0.719 18 HE3 MET 2 HE3 MET 2 12.034 4.676 -1.382 19 H LYS 3 HN LYS 3 12.718 -0.733 -1.069 20 HA LYS 3 HA LYS 3 10.108 -1.148 -1.946 21 HB2 LYS 3 HB2 LYS 3 11.811 -2.922 -0.202 22 HB3 LYS 3 HB1 LYS 3 10.336 -3.440 -1.002 23 HG2 LYS 3 HG2 LYS 3 11.359 -2.945 -3.169 24 HG3 LYS 3 HG1 LYS 3 12.840 -2.469 -2.350 25 HD2 LYS 3 HD2 LYS 3 13.061 -4.721 -1.426 26 HD3 LYS 3 HD1 LYS 3 11.564 -5.196 -2.231 27 HE2 LYS 3 HE2 LYS 3 12.561 -4.724 -4.395 28 HE3 LYS 3 HE1 LYS 3 14.053 -4.214 -3.609 29 HZ1 LYS 3 HZ1 LYS 3 14.198 -6.465 -4.441 30 HZ2 LYS 3 HZ2 LYS 3 12.883 -6.936 -3.503 31 HZ3 LYS 3 HZ3 LYS 3 14.318 -6.460 -2.762 32 H LEU 4 HN LEU 4 11.298 -0.512 1.252 33 HA LEU 4 HA LEU 4 8.976 -1.345 2.661 34 HB2 LEU 4 HB2 LEU 4 11.023 0.692 3.529 35 HB3 LEU 4 HB1 LEU 4 9.930 -0.202 4.558 36 HG LEU 4 HG LEU 4 12.291 -1.303 3.045 37 HD11 LEU 4 HD11 LEU 4 13.169 -1.768 5.262 38 HD12 LEU 4 HD12 LEU 4 11.758 -0.991 5.981 39 HD13 LEU 4 HD13 LEU 4 12.885 -0.046 5.008 40 HD21 LEU 4 HD21 LEU 4 10.315 -2.766 4.801 41 HD22 LEU 4 HD22 LEU 4 11.809 -3.443 4.152 42 HD23 LEU 4 HD23 LEU 4 10.508 -2.971 3.059 43 H LEU 5 HN LEU 5 10.023 1.635 1.157 44 HA LEU 5 HA LEU 5 7.906 3.235 2.243 45 HB2 LEU 5 HB2 LEU 5 9.851 3.772 -0.015 46 HB3 LEU 5 HB1 LEU 5 8.647 4.921 0.514 47 HG LEU 5 HG LEU 5 10.729 5.604 1.391 48 HD11 LEU 5 HD11 LEU 5 8.903 5.933 2.897 49 HD12 LEU 5 HD12 LEU 5 10.388 5.609 3.785 50 HD13 LEU 5 HD13 LEU 5 9.171 4.346 3.620 51 HD21 LEU 5 HD21 LEU 5 11.065 2.833 2.525 52 HD22 LEU 5 HD22 LEU 5 12.101 4.211 2.893 53 HD23 LEU 5 HD23 LEU 5 12.024 3.587 1.247 54 H LYS 6 HN LYS 6 8.472 1.341 -0.606 55 HA LYS 6 HA LYS 6 6.335 2.191 -2.207 56 HB2 LYS 6 HB2 LYS 6 7.501 -0.583 -1.943 57 HB3 LYS 6 HB1 LYS 6 6.408 -0.090 -3.217 58 HG2 LYS 6 HG2 LYS 6 9.211 0.901 -2.742 59 HG3 LYS 6 HG1 LYS 6 8.647 -0.151 -4.041 60 HD2 LYS 6 HD2 LYS 6 7.123 1.752 -4.732 61 HD3 LYS 6 HD1 LYS 6 8.030 2.759 -3.608 62 HE2 LYS 6 HE2 LYS 6 8.968 3.059 -5.791 63 HE3 LYS 6 HE1 LYS 6 10.114 2.141 -4.817 64 HZ1 LYS 6 HZ1 LYS 6 8.273 1.038 -6.876 65 HZ2 LYS 6 HZ2 LYS 6 9.231 0.098 -5.887 66 HZ3 LYS 6 HZ3 LYS 6 9.946 1.134 -6.997 67 H ARG 7 HN ARG 7 6.503 -0.046 0.437 68 HA ARG 7 HA ARG 7 3.919 -1.148 0.303 69 HB2 ARG 7 HB2 ARG 7 5.583 -0.669 2.761 70 HB3 ARG 7 HB1 ARG 7 4.219 -1.765 2.638 71 HG2 ARG 7 HG2 ARG 7 5.457 -3.080 0.985 72 HG3 ARG 7 HG1 ARG 7 6.839 -1.998 1.186 73 HD2 ARG 7 HD2 ARG 7 5.593 -3.790 3.259 74 HD3 ARG 7 HD1 ARG 7 7.182 -3.938 2.508 75 HE ARG 7 HE ARG 7 6.925 -1.446 3.788 76 HH11 ARG 7 HH11 ARG 7 7.471 -4.875 4.451 77 HH12 ARG 7 HH12 ARG 7 8.275 -4.620 5.921 78 HH21 ARG 7 HH21 ARG 7 8.046 -1.079 5.853 79 HH22 ARG 7 HH22 ARG 7 8.615 -2.412 6.722 80 H LEU 8 HN LEU 8 5.095 1.872 1.586 81 HA LEU 8 HA LEU 8 2.812 2.457 3.181 82 HB2 LEU 8 HB2 LEU 8 4.825 4.345 1.954 83 HB3 LEU 8 HB1 LEU 8 3.658 4.765 3.191 84 HG LEU 8 HG LEU 8 5.969 2.848 3.519 85 HD11 LEU 8 HD11 LEU 8 6.873 4.561 5.001 86 HD12 LEU 8 HD12 LEU 8 5.517 5.616 4.607 87 HD13 LEU 8 HD13 LEU 8 6.676 5.165 3.357 88 HD21 LEU 8 HD21 LEU 8 3.926 3.827 5.516 89 HD22 LEU 8 HD22 LEU 8 5.366 2.891 5.904 90 HD23 LEU 8 HD23 LEU 8 4.096 2.175 4.915 91 H GLY 9 HN GLY 9 3.726 2.987 -0.130 92 HA2 GLY 9 HA2 GLY 9 1.413 4.547 -0.783 93 HA3 GLY 9 HA1 GLY 9 2.541 3.817 -1.929 94 H LYS 10 HN LYS 10 2.281 1.190 -0.755 95 HA LYS 10 HA LYS 10 0.046 0.309 -2.246 96 HB2 LYS 10 HB2 LYS 10 2.094 -1.059 -2.041 97 HB3 LYS 10 HB1 LYS 10 1.772 -1.270 -0.325 98 HG2 LYS 10 HG2 LYS 10 -0.264 -2.484 -0.823 99 HG3 LYS 10 HG1 LYS 10 -0.030 -2.214 -2.546 100 HD2 LYS 10 HD2 LYS 10 2.018 -3.535 -2.484 101 HD3 LYS 10 HD1 LYS 10 1.824 -3.768 -0.743 102 HE2 LYS 10 HE2 LYS 10 -0.279 -4.935 -1.119 103 HE3 LYS 10 HE1 LYS 10 -0.139 -4.667 -2.852 104 HZ1 LYS 10 HZ1 LYS 10 0.539 -6.892 -2.217 105 HZ2 LYS 10 HZ2 LYS 10 1.751 -6.302 -1.222 106 HZ3 LYS 10 HZ3 LYS 10 1.821 -6.050 -2.884 107 H LYS 11 HN LYS 11 0.609 0.820 1.211 108 HA LYS 11 HA LYS 11 -1.752 -0.369 2.153 109 HB2 LYS 11 HB2 LYS 11 -0.382 2.086 3.250 110 HB3 LYS 11 HB1 LYS 11 -1.658 1.214 4.078 111 HG2 LYS 11 HG2 LYS 11 -0.126 -0.802 4.032 112 HG3 LYS 11 HG1 LYS 11 1.148 0.299 3.498 113 HD2 LYS 11 HD2 LYS 11 -0.441 0.506 6.069 114 HD3 LYS 11 HD1 LYS 11 1.235 -0.011 5.922 115 HE2 LYS 11 HE2 LYS 11 1.882 2.194 5.153 116 HE3 LYS 11 HE1 LYS 11 0.199 2.713 5.140 117 HZ1 LYS 11 HZ1 LYS 11 1.344 3.501 7.110 118 HZ2 LYS 11 HZ2 LYS 11 1.737 1.943 7.571 119 HZ3 LYS 11 HZ3 LYS 11 0.132 2.432 7.539 120 H ILE 12 HN ILE 12 -1.235 2.614 0.524 121 HA ILE 12 HA ILE 12 -3.653 3.921 1.119 122 HB ILE 12 HB ILE 12 -1.924 4.141 -1.368 123 HG12 ILE 12 HG12 ILE 12 -1.968 5.836 1.144 124 HG13 ILE 12 HG11 ILE 12 -0.727 4.664 0.725 125 HG21 ILE 12 HG21 ILE 12 -4.169 5.019 -1.773 126 HG22 ILE 12 HG22 ILE 12 -2.987 6.325 -1.707 127 HG23 ILE 12 HG23 ILE 12 -4.042 6.022 -0.328 128 HD11 ILE 12 HD11 ILE 12 -1.371 7.192 -0.781 129 HD12 ILE 12 HD12 ILE 12 -0.140 6.020 -1.238 130 HD13 ILE 12 HD13 ILE 12 0.021 6.924 0.268 131 H ARG 13 HN ARG 13 -2.743 1.783 -1.605 132 HA ARG 13 HA ARG 13 -5.354 1.913 -2.731 133 HB2 ARG 13 HB2 ARG 13 -4.732 0.041 -4.208 134 HB3 ARG 13 HB1 ARG 13 -3.522 1.309 -4.211 135 HG2 ARG 13 HG2 ARG 13 -2.026 -0.010 -2.935 136 HG3 ARG 13 HG1 ARG 13 -3.285 -1.193 -2.573 137 HD2 ARG 13 HD2 ARG 13 -2.210 -0.598 -5.328 138 HD3 ARG 13 HD1 ARG 13 -1.746 -1.981 -4.325 139 HE ARG 13 HE ARG 13 -4.419 -2.121 -4.404 140 HH11 ARG 13 HH11 ARG 13 -1.994 -1.993 -7.000 141 HH12 ARG 13 HH12 ARG 13 -2.938 -2.890 -8.084 142 HH21 ARG 13 HH21 ARG 13 -5.686 -3.345 -5.915 143 HH22 ARG 13 HH22 ARG 13 -5.083 -3.651 -7.472 144 H LEU 14 HN LEU 14 -3.922 -0.192 -0.365 145 HA LEU 14 HA LEU 14 -6.075 -2.037 -0.300 146 HB2 LEU 14 HB2 LEU 14 -3.889 -1.362 1.628 147 HB3 LEU 14 HB1 LEU 14 -5.252 -2.284 2.209 148 HG LEU 14 HG LEU 14 -3.420 -3.753 1.689 149 HD11 LEU 14 HD11 LEU 14 -5.620 -4.040 -0.338 150 HD12 LEU 14 HD12 LEU 14 -5.645 -4.603 1.333 151 HD13 LEU 14 HD13 LEU 14 -4.506 -5.301 0.185 152 HD21 LEU 14 HD21 LEU 14 -2.559 -4.037 -0.576 153 HD22 LEU 14 HD22 LEU 14 -2.274 -2.395 0.013 154 HD23 LEU 14 HD23 LEU 14 -3.579 -2.710 -1.130 155 H ALA 15 HN ALA 15 -5.502 1.016 1.286 156 HA ALA 15 HA ALA 15 -7.737 0.860 3.031 157 HB1 ALA 15 HB1 ALA 15 -7.322 3.220 3.448 158 HB2 ALA 15 HB2 ALA 15 -6.263 3.294 2.041 159 HB3 ALA 15 HB3 ALA 15 -5.798 2.328 3.438 160 H ALA 16 HN ALA 16 -7.187 2.349 -0.103 161 HA ALA 16 HA ALA 16 -9.742 3.536 -0.341 162 HB1 ALA 16 HB1 ALA 16 -7.789 4.296 -1.589 163 HB2 ALA 16 HB2 ALA 16 -9.144 3.919 -2.659 164 HB3 ALA 16 HB3 ALA 16 -7.797 2.791 -2.508 165 H ALA 17 HN ALA 17 -8.538 0.357 -1.130 166 HA ALA 17 HA ALA 17 -10.894 -0.315 -2.654 167 HB1 ALA 17 HB1 ALA 17 -9.919 -2.534 -2.834 168 HB2 ALA 17 HB2 ALA 17 -8.680 -2.097 -1.654 169 HB3 ALA 17 HB3 ALA 17 -8.723 -1.299 -3.224 170 H PHE 18 HN PHE 18 -9.842 -0.464 0.603 171 HA PHE 18 HA PHE 18 -11.550 -2.525 1.486 172 HB2 PHE 18 HB2 PHE 18 -9.574 -1.853 2.761 173 HB3 PHE 18 HB1 PHE 18 -10.276 -0.266 3.042 174 HD1 PHE 18 HD1 PHE 18 -11.324 -3.827 3.452 175 HD2 PHE 18 HD2 PHE 18 -11.073 0.056 5.172 176 HE1 PHE 18 HE1 PHE 18 -12.339 -4.680 5.513 177 HE2 PHE 18 HE2 PHE 18 -12.096 -0.791 7.235 178 HZ PHE 18 HZ PHE 18 -12.729 -3.164 7.408 179 H LYS 19 HN LYS 19 -11.940 1.049 1.328 180 HA LYS 19 HA LYS 19 -14.466 0.890 2.556 181 HB2 LYS 19 HB2 LYS 19 -14.540 3.297 1.799 182 HB3 LYS 19 HB1 LYS 19 -13.248 2.861 2.909 183 HG2 LYS 19 HG2 LYS 19 -11.723 2.645 0.940 184 HG3 LYS 19 HG1 LYS 19 -13.034 3.278 -0.054 185 HD2 LYS 19 HD2 LYS 19 -11.777 4.645 2.290 186 HD3 LYS 19 HD1 LYS 19 -11.406 4.904 0.582 187 HE2 LYS 19 HE2 LYS 19 -14.107 5.342 1.879 188 HE3 LYS 19 HE1 LYS 19 -12.911 6.580 1.522 189 HZ1 LYS 19 HZ1 LYS 19 -13.146 6.067 -0.857 190 HZ2 LYS 19 HZ2 LYS 19 -14.620 6.494 -0.184 191 HZ3 LYS 19 HZ3 LYS 19 -14.308 4.890 -0.503 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 15.642 3.328 0.992 2 H3 PRO 1 HT2 PRO 1 15.459 1.682 0.740 3 HA PRO 1 HA PRO 1 14.052 1.371 2.561 4 HB2 PRO 1 HB2 PRO 1 13.060 3.953 2.955 5 HB3 PRO 1 HB1 PRO 1 13.992 2.989 4.106 6 HG2 PRO 1 HG2 PRO 1 14.898 5.175 2.319 7 HG3 PRO 1 HG1 PRO 1 15.536 4.653 3.876 8 HD2 PRO 1 HD2 PRO 1 16.825 4.155 1.583 9 HD3 PRO 1 HD1 PRO 1 16.894 3.105 2.980 10 H MET 2 HN MET 2 14.196 1.806 -0.528 11 HA MET 2 HA MET 2 11.831 3.225 -1.186 12 HB2 MET 2 HB2 MET 2 12.069 2.360 -3.453 13 HB3 MET 2 HB1 MET 2 13.626 2.912 -2.863 14 HG2 MET 2 HG2 MET 2 14.339 0.635 -2.489 15 HG3 MET 2 HG1 MET 2 12.743 0.031 -2.914 16 HE1 MET 2 HE1 MET 2 11.901 1.673 -5.449 17 HE2 MET 2 HE2 MET 2 11.787 -0.085 -5.347 18 HE3 MET 2 HE3 MET 2 12.552 0.668 -6.745 19 H LYS 3 HN LYS 3 12.473 -0.090 -0.330 20 HA LYS 3 HA LYS 3 10.087 -1.234 -1.316 21 HB2 LYS 3 HB2 LYS 3 11.765 -2.082 1.047 22 HB3 LYS 3 HB1 LYS 3 10.503 -3.050 0.309 23 HG2 LYS 3 HG2 LYS 3 11.781 -3.145 -1.766 24 HG3 LYS 3 HG1 LYS 3 13.048 -2.156 -1.035 25 HD2 LYS 3 HD2 LYS 3 13.342 -3.868 0.696 26 HD3 LYS 3 HD1 LYS 3 12.137 -4.877 -0.100 27 HE2 LYS 3 HE2 LYS 3 13.558 -4.946 -2.112 28 HE3 LYS 3 HE1 LYS 3 14.761 -3.965 -1.284 29 HZ1 LYS 3 HZ1 LYS 3 15.362 -6.290 -1.194 30 HZ2 LYS 3 HZ2 LYS 3 13.914 -6.707 -0.470 31 HZ3 LYS 3 HZ3 LYS 3 15.023 -5.743 0.350 32 H LEU 4 HN LEU 4 10.871 0.513 1.567 33 HA LEU 4 HA LEU 4 8.516 -0.125 3.042 34 HB2 LEU 4 HB2 LEU 4 10.309 2.284 3.293 35 HB3 LEU 4 HB1 LEU 4 9.150 1.737 4.485 36 HG LEU 4 HG LEU 4 11.684 0.313 3.668 37 HD11 LEU 4 HD11 LEU 4 10.895 1.719 6.199 38 HD12 LEU 4 HD12 LEU 4 12.081 2.279 5.018 39 HD13 LEU 4 HD13 LEU 4 12.383 0.812 5.954 40 HD21 LEU 4 HD21 LEU 4 11.170 -1.234 5.496 41 HD22 LEU 4 HD22 LEU 4 9.947 -1.298 4.229 42 HD23 LEU 4 HD23 LEU 4 9.615 -0.435 5.735 43 H LEU 5 HN LEU 5 9.459 2.358 0.784 44 HA LEU 5 HA LEU 5 7.220 4.060 1.099 45 HB2 LEU 5 HB2 LEU 5 8.981 3.638 -1.312 46 HB3 LEU 5 HB1 LEU 5 7.865 4.967 -1.092 47 HG LEU 5 HG LEU 5 10.316 4.452 0.590 48 HD11 LEU 5 HD11 LEU 5 11.196 6.437 -0.532 49 HD12 LEU 5 HD12 LEU 5 9.763 6.481 -1.560 50 HD13 LEU 5 HD13 LEU 5 10.880 5.124 -1.664 51 HD21 LEU 5 HD21 LEU 5 9.869 6.677 1.497 52 HD22 LEU 5 HD22 LEU 5 8.549 5.564 1.847 53 HD23 LEU 5 HD23 LEU 5 8.374 6.763 0.566 54 H LYS 6 HN LYS 6 7.961 1.406 -1.212 55 HA LYS 6 HA LYS 6 5.521 1.576 -2.546 56 HB2 LYS 6 HB2 LYS 6 7.339 -0.790 -2.212 57 HB3 LYS 6 HB1 LYS 6 6.193 -0.489 -3.517 58 HG2 LYS 6 HG2 LYS 6 7.485 1.425 -4.255 59 HG3 LYS 6 HG1 LYS 6 8.611 1.205 -2.921 60 HD2 LYS 6 HD2 LYS 6 9.604 0.283 -4.854 61 HD3 LYS 6 HD1 LYS 6 9.094 -1.063 -3.833 62 HE2 LYS 6 HE2 LYS 6 8.555 -1.562 -6.011 63 HE3 LYS 6 HE1 LYS 6 7.033 -1.239 -5.205 64 HZ1 LYS 6 HZ1 LYS 6 7.028 -0.130 -7.370 65 HZ2 LYS 6 HZ2 LYS 6 8.481 0.616 -7.025 66 HZ3 LYS 6 HZ3 LYS 6 7.108 1.061 -6.188 67 H ARG 7 HN ARG 7 6.577 -0.129 0.343 68 HA ARG 7 HA ARG 7 4.301 -1.788 0.645 69 HB2 ARG 7 HB2 ARG 7 6.418 -2.169 1.870 70 HB3 ARG 7 HB1 ARG 7 6.160 -0.683 2.767 71 HG2 ARG 7 HG2 ARG 7 5.589 -2.627 4.112 72 HG3 ARG 7 HG1 ARG 7 4.160 -1.644 3.796 73 HD2 ARG 7 HD2 ARG 7 3.690 -4.041 3.563 74 HD3 ARG 7 HD1 ARG 7 3.469 -3.194 2.035 75 HE ARG 7 HE ARG 7 6.090 -4.254 2.292 76 HH11 ARG 7 HH11 ARG 7 2.778 -5.239 1.561 77 HH12 ARG 7 HH12 ARG 7 3.225 -6.545 0.562 78 HH21 ARG 7 HH21 ARG 7 6.718 -6.013 0.988 79 HH22 ARG 7 HH22 ARG 7 5.552 -7.003 0.221 80 H LEU 8 HN LEU 8 5.106 1.439 1.786 81 HA LEU 8 HA LEU 8 2.747 1.942 3.204 82 HB2 LEU 8 HB2 LEU 8 4.724 3.359 3.387 83 HB3 LEU 8 HB1 LEU 8 4.574 3.825 1.709 84 HG LEU 8 HG LEU 8 2.510 5.041 2.209 85 HD11 LEU 8 HD11 LEU 8 1.811 5.381 4.533 86 HD12 LEU 8 HD12 LEU 8 3.013 4.196 5.057 87 HD13 LEU 8 HD13 LEU 8 1.666 3.696 4.037 88 HD21 LEU 8 HD21 LEU 8 4.638 6.207 2.344 89 HD22 LEU 8 HD22 LEU 8 4.803 5.739 4.036 90 HD23 LEU 8 HD23 LEU 8 3.508 6.829 3.546 91 H GLY 9 HN GLY 9 3.639 2.458 -0.159 92 HA2 GLY 9 HA2 GLY 9 1.275 3.598 -1.127 93 HA3 GLY 9 HA1 GLY 9 2.389 2.616 -2.073 94 H LYS 10 HN LYS 10 2.180 0.222 -0.740 95 HA LYS 10 HA LYS 10 -0.109 -0.959 -1.822 96 HB2 LYS 10 HB2 LYS 10 1.827 -2.316 -1.355 97 HB3 LYS 10 HB1 LYS 10 1.761 -1.915 0.350 98 HG2 LYS 10 HG2 LYS 10 0.990 -4.196 -0.049 99 HG3 LYS 10 HG1 LYS 10 -0.305 -3.193 0.597 100 HD2 LYS 10 HD2 LYS 10 -1.192 -4.591 -1.162 101 HD3 LYS 10 HD1 LYS 10 -1.178 -2.922 -1.716 102 HE2 LYS 10 HE2 LYS 10 0.882 -3.350 -2.961 103 HE3 LYS 10 HE1 LYS 10 0.887 -5.015 -2.388 104 HZ1 LYS 10 HZ1 LYS 10 -1.219 -5.362 -3.537 105 HZ2 LYS 10 HZ2 LYS 10 -0.018 -4.867 -4.601 106 HZ3 LYS 10 HZ3 LYS 10 -1.194 -3.774 -4.107 107 H LYS 11 HN LYS 11 0.576 0.034 1.508 108 HA LYS 11 HA LYS 11 -1.906 -0.828 2.554 109 HB2 LYS 11 HB2 LYS 11 -0.101 1.351 3.590 110 HB3 LYS 11 HB1 LYS 11 -1.421 0.622 4.490 111 HG2 LYS 11 HG2 LYS 11 -0.227 -1.578 4.246 112 HG3 LYS 11 HG1 LYS 11 1.143 -0.671 3.605 113 HD2 LYS 11 HD2 LYS 11 -0.120 -0.314 6.320 114 HD3 LYS 11 HD1 LYS 11 1.413 -1.113 5.992 115 HE2 LYS 11 HE2 LYS 11 2.339 0.996 5.159 116 HE3 LYS 11 HE1 LYS 11 0.796 1.798 5.453 117 HZ1 LYS 11 HZ1 LYS 11 2.318 2.235 7.245 118 HZ2 LYS 11 HZ2 LYS 11 2.590 0.606 7.481 119 HZ3 LYS 11 HZ3 LYS 11 1.061 1.264 7.820 120 H ILE 12 HN ILE 12 -0.850 2.181 1.147 121 HA ILE 12 HA ILE 12 -3.152 3.719 1.621 122 HB ILE 12 HB ILE 12 -1.076 3.850 -0.578 123 HG12 ILE 12 HG12 ILE 12 -1.477 5.577 1.872 124 HG13 ILE 12 HG11 ILE 12 -0.294 4.283 1.725 125 HG21 ILE 12 HG21 ILE 12 -3.100 4.877 -1.427 126 HG22 ILE 12 HG22 ILE 12 -1.890 6.115 -1.086 127 HG23 ILE 12 HG23 ILE 12 -3.235 5.863 0.027 128 HD11 ILE 12 HD11 ILE 12 -0.378 6.801 0.081 129 HD12 ILE 12 HD12 ILE 12 0.809 5.505 -0.071 130 HD13 ILE 12 HD13 ILE 12 0.730 6.457 1.412 131 H ARG 13 HN ARG 13 -2.217 1.684 -1.104 132 HA ARG 13 HA ARG 13 -4.610 2.132 -2.573 133 HB2 ARG 13 HB2 ARG 13 -2.525 -0.040 -2.835 134 HB3 ARG 13 HB1 ARG 13 -3.851 0.196 -3.962 135 HG2 ARG 13 HG2 ARG 13 -1.656 2.176 -3.387 136 HG3 ARG 13 HG1 ARG 13 -1.797 1.161 -4.823 137 HD2 ARG 13 HD2 ARG 13 -3.731 3.325 -3.962 138 HD3 ARG 13 HD1 ARG 13 -2.587 3.414 -5.293 139 HE ARG 13 HE ARG 13 -3.924 1.310 -6.054 140 HH11 ARG 13 HH11 ARG 13 -5.263 4.314 -4.698 141 HH12 ARG 13 HH12 ARG 13 -6.733 4.184 -5.538 142 HH21 ARG 13 HH21 ARG 13 -5.967 1.126 -7.142 143 HH22 ARG 13 HH22 ARG 13 -7.160 2.323 -6.914 144 H LEU 14 HN LEU 14 -3.655 -0.245 -0.211 145 HA LEU 14 HA LEU 14 -5.837 -2.002 -0.439 146 HB2 LEU 14 HB2 LEU 14 -3.701 -2.345 0.888 147 HB3 LEU 14 HB1 LEU 14 -4.301 -1.204 2.058 148 HG LEU 14 HG LEU 14 -5.622 -3.876 1.474 149 HD11 LEU 14 HD11 LEU 14 -3.724 -3.100 3.680 150 HD12 LEU 14 HD12 LEU 14 -3.373 -4.190 2.340 151 HD13 LEU 14 HD13 LEU 14 -4.581 -4.635 3.547 152 HD21 LEU 14 HD21 LEU 14 -6.742 -3.535 3.631 153 HD22 LEU 14 HD22 LEU 14 -7.128 -2.219 2.521 154 HD23 LEU 14 HD23 LEU 14 -5.948 -1.970 3.807 155 H ALA 15 HN ALA 15 -5.257 0.832 1.591 156 HA ALA 15 HA ALA 15 -7.745 0.933 2.877 157 HB1 ALA 15 HB1 ALA 15 -7.137 3.204 3.472 158 HB2 ALA 15 HB2 ALA 15 -5.864 3.195 2.252 159 HB3 ALA 15 HB3 ALA 15 -5.753 2.124 3.646 160 H ALA 16 HN ALA 16 -6.610 2.308 -0.122 161 HA ALA 16 HA ALA 16 -8.713 4.039 -0.707 162 HB1 ALA 16 HB1 ALA 16 -7.943 3.897 -3.024 163 HB2 ALA 16 HB2 ALA 16 -6.984 2.478 -2.617 164 HB3 ALA 16 HB3 ALA 16 -6.587 4.042 -1.905 165 H ALA 17 HN ALA 17 -8.267 0.630 -1.466 166 HA ALA 17 HA ALA 17 -10.806 0.490 -2.818 167 HB1 ALA 17 HB1 ALA 17 -8.883 -0.787 -3.632 168 HB2 ALA 17 HB2 ALA 17 -10.231 -1.841 -3.210 169 HB3 ALA 17 HB3 ALA 17 -8.851 -1.695 -2.121 170 H PHE 18 HN PHE 18 -9.570 -0.037 0.325 171 HA PHE 18 HA PHE 18 -11.138 -1.981 1.426 172 HB2 PHE 18 HB2 PHE 18 -9.222 -0.912 2.550 173 HB3 PHE 18 HB1 PHE 18 -10.182 0.537 2.799 174 HD1 PHE 18 HD1 PHE 18 -9.687 -2.950 3.790 175 HD2 PHE 18 HD2 PHE 18 -11.830 0.640 4.569 176 HE1 PHE 18 HE1 PHE 18 -10.455 -3.872 5.928 177 HE2 PHE 18 HE2 PHE 18 -12.600 -0.281 6.706 178 HZ PHE 18 HZ PHE 18 -11.915 -2.536 7.392 179 H LYS 19 HN LYS 19 -11.922 1.519 1.517 180 HA LYS 19 HA LYS 19 -14.442 0.897 2.634 181 HB2 LYS 19 HB2 LYS 19 -14.956 3.259 2.644 182 HB3 LYS 19 HB1 LYS 19 -13.368 2.990 3.317 183 HG2 LYS 19 HG2 LYS 19 -13.880 3.987 0.517 184 HG3 LYS 19 HG1 LYS 19 -13.642 5.042 1.904 185 HD2 LYS 19 HD2 LYS 19 -11.399 4.075 2.214 186 HD3 LYS 19 HD1 LYS 19 -11.671 3.046 0.806 187 HE2 LYS 19 HE2 LYS 19 -11.704 6.051 0.785 188 HE3 LYS 19 HE1 LYS 19 -10.350 5.047 0.272 189 HZ1 LYS 19 HZ1 LYS 19 -11.810 4.071 -1.423 190 HZ2 LYS 19 HZ2 LYS 19 -11.616 5.724 -1.621 191 HZ3 LYS 19 HZ3 LYS 19 -13.053 5.126 -0.979
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