NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634233 | 5z2o | 36148 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 3.367 1.155 -0.477 2 HA ARG 1 HA ARG 1 2.527 -1.074 -1.783 3 HB2 ARG 1 2HB ARG 1 1.107 0.801 0.071 4 HB3 ARG 1 3HB ARG 1 0.227 -0.543 -0.644 5 HG2 ARG 1 2HG ARG 1 2.259 -1.940 0.245 6 HG3 ARG 1 3HG ARG 1 2.444 -0.566 1.338 7 HD2 ARG 1 2HD ARG 1 0.031 -0.842 1.948 8 HD3 ARG 1 3HD ARG 1 0.026 -2.332 1.006 9 HE ARG 1 HE ARG 1 2.103 -2.649 2.736 10 HH11 ARG 1 1HH1 ARG 1 -1.278 -1.899 3.090 11 HH12 ARG 1 2HH1 ARG 1 -1.416 -2.651 4.645 12 HH21 ARG 1 1HH2 ARG 1 1.934 -3.643 4.782 13 HH22 ARG 1 2HH2 ARG 1 0.412 -3.643 5.606 14 H ALA 2 H ALA 2 0.734 2.011 -1.924 15 HA ALA 2 HA ALA 2 -0.315 1.169 -4.545 16 HB1 ALA 2 1HB ALA 2 -1.493 2.928 -2.411 17 HB2 ALA 2 2HB ALA 2 -2.123 2.880 -4.059 18 HB3 ALA 2 3HB ALA 2 -2.133 1.421 -3.068 19 H LEU 3 H LEU 3 1.287 1.982 -5.867 20 HA LEU 3 HA LEU 3 1.755 4.885 -5.738 21 HB2 LEU 3 2HB LEU 3 3.443 2.961 -7.295 22 HB3 LEU 3 3HB LEU 3 3.858 4.568 -6.703 23 HG LEU 3 HG LEU 3 3.605 2.043 -5.073 24 HD11 LEU 3 1HD1 LEU 3 5.746 1.795 -5.601 25 HD12 LEU 3 2HD1 LEU 3 6.078 3.270 -4.694 26 HD13 LEU 3 3HD1 LEU 3 5.784 3.351 -6.431 27 HD21 LEU 3 1HD2 LEU 3 4.515 3.599 -3.252 28 HD22 LEU 3 2HD2 LEU 3 2.798 3.704 -3.643 29 HD23 LEU 3 3HD2 LEU 3 3.920 4.915 -4.265 30 H ARG 4 H ARG 4 -0.523 3.451 -7.001 31 HA ARG 4 HA ARG 4 -0.148 3.615 -9.835 32 HB2 ARG 4 2HB ARG 4 -2.436 3.066 -8.005 33 HB3 ARG 4 3HB ARG 4 -2.798 3.560 -9.653 34 HG2 ARG 4 2HG ARG 4 -2.794 1.185 -9.587 35 HG3 ARG 4 3HG ARG 4 -1.343 1.697 -10.451 36 HD2 ARG 4 2HD ARG 4 0.056 1.156 -8.663 37 HD3 ARG 4 3HD ARG 4 -1.274 1.149 -7.506 38 HE ARG 4 HE ARG 4 -1.541 -0.868 -9.521 39 HH11 ARG 4 1HH1 ARG 4 -0.037 -0.080 -6.481 40 HH12 ARG 4 2HH1 ARG 4 0.133 -1.732 -5.988 41 HH21 ARG 4 1HH2 ARG 4 -1.322 -3.047 -8.883 42 HH22 ARG 4 2HH2 ARG 4 -0.598 -3.419 -7.356 43 H ARG 5 H ARG 5 -1.730 5.639 -7.392 44 HA ARG 5 HA ARG 5 -2.407 7.653 -9.364 45 HB2 ARG 5 2HB ARG 5 -3.312 8.888 -7.386 46 HB3 ARG 5 3HB ARG 5 -4.014 7.293 -7.622 47 HG2 ARG 5 2HG ARG 5 -2.921 6.398 -5.782 48 HG3 ARG 5 3HG ARG 5 -1.711 7.683 -5.756 49 HD2 ARG 5 2HD ARG 5 -2.936 8.732 -4.229 50 HD3 ARG 5 3HD ARG 5 -4.190 8.953 -5.448 51 HE ARG 5 HE ARG 5 -4.199 7.076 -3.264 52 HH11 ARG 5 1HH1 ARG 5 -5.491 7.848 -6.403 53 HH12 ARG 5 2HH1 ARG 5 -6.932 6.911 -6.185 54 HH21 ARG 5 1HH2 ARG 5 -6.092 5.838 -2.965 55 HH22 ARG 5 2HH2 ARG 5 -7.273 5.769 -4.229 56 H LEU 6 H LEU 6 0.025 7.067 -6.937 57 HA LEU 6 HA LEU 6 1.026 9.737 -6.830 58 HB2 LEU 6 2HB LEU 6 1.370 8.105 -5.029 59 HB3 LEU 6 3HB LEU 6 2.371 7.136 -6.108 60 HG LEU 6 HG LEU 6 4.068 8.842 -6.150 61 HD11 LEU 6 1HD1 LEU 6 3.671 10.795 -4.455 62 HD12 LEU 6 2HD1 LEU 6 1.971 10.465 -4.790 63 HD13 LEU 6 3HD1 LEU 6 3.060 10.902 -6.107 64 HD21 LEU 6 1HD2 LEU 6 4.939 8.218 -4.186 65 HD22 LEU 6 2HD2 LEU 6 3.449 7.297 -3.980 66 HD23 LEU 6 3HD2 LEU 6 3.599 8.904 -3.266 67 H ALA 7 H ALA 7 2.412 6.766 -8.245 68 HA ALA 7 HA ALA 7 4.512 7.981 -9.609 69 HB1 ALA 7 1HB ALA 7 4.740 5.958 -10.828 70 HB2 ALA 7 2HB ALA 7 4.176 5.520 -9.216 71 HB3 ALA 7 3HB ALA 7 3.048 5.534 -10.571 72 H ARG 8 H ARG 8 1.135 7.850 -10.361 73 HA ARG 8 HA ARG 8 1.204 8.263 -13.128 74 HB2 ARG 8 2HB ARG 8 -0.852 7.682 -11.964 75 HB3 ARG 8 3HB ARG 8 -0.817 9.206 -11.088 76 HG2 ARG 8 2HG ARG 8 -1.113 10.421 -13.189 77 HG3 ARG 8 3HG ARG 8 -1.155 8.888 -14.063 78 HD2 ARG 8 2HD ARG 8 -3.104 8.250 -12.582 79 HD3 ARG 8 3HD ARG 8 -3.130 9.929 -12.046 80 HE ARG 8 HE ARG 8 -3.231 10.159 -14.730 81 HH11 ARG 8 1HH1 ARG 8 -5.066 8.284 -12.442 82 HH12 ARG 8 2HH1 ARG 8 -6.514 8.299 -13.393 83 HH21 ARG 8 1HH2 ARG 8 -5.131 10.185 -15.992 84 HH22 ARG 8 2HH2 ARG 8 -6.549 9.380 -15.413 85 H LYS 9 H LYS 9 0.662 10.725 -10.599 86 HA LYS 9 HA LYS 9 0.923 12.941 -12.287 87 HB2 LYS 9 2HB LYS 9 1.392 14.201 -10.151 88 HB3 LYS 9 3HB LYS 9 -0.091 13.254 -10.157 89 HG2 LYS 9 2HG LYS 9 0.931 11.537 -8.830 90 HG3 LYS 9 3HG LYS 9 2.504 12.331 -8.941 91 HD2 LYS 9 2HD LYS 9 1.542 12.820 -6.793 92 HD3 LYS 9 3HD LYS 9 1.532 14.294 -7.765 93 HE2 LYS 9 2HE LYS 9 -0.744 14.302 -7.974 94 HE3 LYS 9 3HE LYS 9 -0.871 12.548 -7.852 95 HZ1 LYS 9 1HZ LYS 9 -0.768 14.557 -5.732 96 HZ2 LYS 9 2HZ LYS 9 -0.039 13.063 -5.423 97 HZ3 LYS 9 3HZ LYS 9 -1.680 13.135 -5.830 98 H ILE 10 H ILE 10 3.322 11.127 -10.454 99 HA ILE 10 HA ILE 10 5.490 12.878 -10.776 100 HB ILE 10 HB ILE 10 5.543 9.867 -10.550 101 HG12 ILE 10 2HG1 ILE 10 5.991 11.874 -8.346 102 HG13 ILE 10 3HG1 ILE 10 4.390 11.240 -8.714 103 HG21 ILE 10 1HG2 ILE 10 7.841 10.582 -9.454 104 HG22 ILE 10 2HG2 ILE 10 7.689 10.298 -11.187 105 HG23 ILE 10 3HG2 ILE 10 7.663 11.945 -10.558 106 HD11 ILE 10 1HD1 ILE 10 6.670 9.387 -8.179 107 HD12 ILE 10 2HD1 ILE 10 5.779 10.136 -6.854 108 HD13 ILE 10 3HD1 ILE 10 4.937 9.107 -8.012 109 H ALA 11 H ALA 11 4.840 9.870 -12.587 110 HA ALA 11 HA ALA 11 6.786 10.178 -14.532 111 HB1 ALA 11 1HB ALA 11 5.716 8.486 -15.729 112 HB2 ALA 11 2HB ALA 11 5.246 8.181 -14.057 113 HB3 ALA 11 3HB ALA 11 4.117 8.966 -15.161 114 H HIS 12 H HIS 12 3.375 11.195 -14.675 115 HA HIS 12 HA HIS 12 3.395 12.301 -17.223 116 HB2 HIS 12 2HB HIS 12 1.528 12.042 -15.249 117 HB3 HIS 12 3HB HIS 12 1.798 13.782 -15.238 118 HD1 HIS 12 HD1 HIS 12 2.343 13.650 -18.490 119 HD2 HIS 12 HD2 HIS 12 -1.037 12.507 -16.362 120 HE1 HIS 12 HE1 HIS 12 0.447 13.742 -20.140 121 H ALA 13 H ALA 13 3.841 14.014 -14.125 122 HA ALA 13 HA ALA 13 4.380 16.535 -15.105 123 HB1 ALA 13 1HB ALA 13 4.067 16.089 -12.739 124 HB2 ALA 13 2HB ALA 13 5.595 15.208 -12.684 125 HB3 ALA 13 3HB ALA 13 5.588 16.942 -13.007 126 H VAL 14 H VAL 14 6.601 13.813 -14.687 127 HA VAL 14 HA VAL 14 8.935 15.262 -15.447 128 HB VAL 14 HB VAL 14 8.429 12.283 -15.415 129 HG11 VAL 14 1HG1 VAL 14 10.839 13.918 -16.032 130 HG12 VAL 14 2HG1 VAL 14 11.047 12.401 -15.154 131 HG13 VAL 14 3HG1 VAL 14 10.289 12.403 -16.746 132 HG21 VAL 14 1HG2 VAL 14 8.548 12.469 -13.205 133 HG22 VAL 14 2HG2 VAL 14 10.198 13.066 -13.377 134 HG23 VAL 14 3HG2 VAL 14 8.851 14.202 -13.327 135 H LYS 15 H LYS 15 6.492 13.455 -17.167 136 HA LYS 15 HA LYS 15 7.978 13.345 -19.633 137 HB2 LYS 15 2HB LYS 15 5.077 12.767 -19.011 138 HB3 LYS 15 3HB LYS 15 5.828 12.501 -20.579 139 HG2 LYS 15 2HG LYS 15 6.997 10.677 -19.869 140 HG3 LYS 15 3HG LYS 15 7.080 11.242 -18.199 141 HD2 LYS 15 2HD LYS 15 5.606 9.403 -18.168 142 HD3 LYS 15 3HD LYS 15 4.573 10.833 -18.095 143 HE2 LYS 15 2HE LYS 15 4.069 10.651 -20.439 144 HE3 LYS 15 3HE LYS 15 5.232 9.340 -20.630 145 HZ1 LYS 15 1HZ LYS 15 2.805 8.704 -20.438 146 HZ2 LYS 15 2HZ LYS 15 2.916 9.121 -18.803 147 HZ3 LYS 15 3HZ LYS 15 3.882 7.880 -19.426 148 H LYS 16 H LYS 16 6.140 15.685 -18.031 149 HA LYS 16 HA LYS 16 5.483 17.097 -20.518 150 HB2 LYS 16 2HB LYS 16 3.645 16.866 -18.940 151 HB3 LYS 16 3HB LYS 16 4.613 17.599 -17.666 152 HG2 LYS 16 2HG LYS 16 4.726 19.663 -19.123 153 HG3 LYS 16 3HG LYS 16 3.483 18.907 -20.122 154 HD2 LYS 16 2HD LYS 16 3.208 19.388 -17.157 155 HD3 LYS 16 3HD LYS 16 2.606 20.491 -18.397 156 HE2 LYS 16 2HE LYS 16 1.822 17.629 -18.566 157 HE3 LYS 16 3HE LYS 16 1.072 18.619 -17.315 158 HZ1 LYS 16 1HZ LYS 16 -0.220 18.593 -19.370 159 HZ2 LYS 16 2HZ LYS 16 1.086 19.255 -20.217 160 HZ3 LYS 16 3HZ LYS 16 0.321 20.154 -19.004 161 H TYR 17 H TYR 17 7.088 17.604 -17.390 162 HA TYR 17 HA TYR 17 8.023 20.206 -17.944 163 HB2 TYR 17 2HB TYR 17 8.581 18.117 -15.919 164 HB3 TYR 17 3HB TYR 17 9.844 19.318 -16.161 165 HD1 TYR 17 HD1 TYR 17 6.333 18.818 -15.154 166 HD2 TYR 17 HD2 TYR 17 9.566 21.572 -15.413 167 HE1 TYR 17 HE1 TYR 17 5.103 20.388 -13.714 168 HE2 TYR 17 HE2 TYR 17 8.346 23.149 -13.973 169 HH TYR 17 HH TYR 17 5.140 22.989 -13.376 170 H GLY 18 H GLY 18 9.739 17.077 -18.038 171 HA2 GLY 18 2HA GLY 18 11.205 17.837 -20.380 172 HA3 GLY 18 3HA GLY 18 12.197 17.901 -18.931 Start of MODEL 2 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 2.916 0.689 -1.125 3 HB2 ARG 1 2HB ARG 1 1.890 -2.128 -1.288 4 HB3 ARG 1 3HB ARG 1 2.894 -1.469 -2.572 5 HG2 ARG 1 2HG ARG 1 4.434 -2.522 -1.218 6 HG3 ARG 1 3HG ARG 1 4.518 -0.851 -0.658 7 HD2 ARG 1 2HD ARG 1 2.580 -2.673 0.665 8 HD3 ARG 1 3HD ARG 1 4.293 -2.890 1.022 9 HE ARG 1 HE ARG 1 3.764 -0.189 1.303 10 HH11 ARG 1 1HH1 ARG 1 2.727 -3.175 2.763 11 HH12 ARG 1 2HH1 ARG 1 2.410 -2.460 4.309 12 HH21 ARG 1 1HH2 ARG 1 3.350 0.763 3.334 13 HH22 ARG 1 2HH2 ARG 1 2.764 -0.220 4.632 14 H ALA 2 H ALA 2 0.519 1.983 -1.328 15 HA ALA 2 HA ALA 2 -0.538 1.314 -3.982 16 HB1 ALA 2 1HB ALA 2 -2.254 3.119 -3.328 17 HB2 ALA 2 2HB ALA 2 -2.329 1.554 -2.517 18 HB3 ALA 2 3HB ALA 2 -1.601 2.937 -1.700 19 H LEU 3 H LEU 3 0.851 2.174 -5.448 20 HA LEU 3 HA LEU 3 1.271 5.086 -5.311 21 HB2 LEU 3 2HB LEU 3 3.458 4.846 -6.235 22 HB3 LEU 3 3HB LEU 3 3.335 3.805 -4.818 23 HG LEU 3 HG LEU 3 2.829 2.593 -7.486 24 HD11 LEU 3 1HD1 LEU 3 5.298 2.170 -7.677 25 HD12 LEU 3 2HD1 LEU 3 5.534 3.435 -6.472 26 HD13 LEU 3 3HD1 LEU 3 4.785 3.822 -8.021 27 HD21 LEU 3 1HD2 LEU 3 2.557 1.226 -5.528 28 HD22 LEU 3 2HD2 LEU 3 4.151 1.689 -4.931 29 HD23 LEU 3 3HD2 LEU 3 4.006 0.704 -6.387 30 H ARG 4 H ARG 4 -0.773 3.411 -6.670 31 HA ARG 4 HA ARG 4 -0.160 3.493 -9.474 32 HB2 ARG 4 2HB ARG 4 -2.452 2.666 -7.794 33 HB3 ARG 4 3HB ARG 4 -2.846 3.206 -9.420 34 HG2 ARG 4 2HG ARG 4 -2.547 0.786 -9.308 35 HG3 ARG 4 3HG ARG 4 -1.352 1.544 -10.362 36 HD2 ARG 4 2HD ARG 4 0.368 1.271 -8.793 37 HD3 ARG 4 3HD ARG 4 -0.765 0.968 -7.477 38 HE ARG 4 HE ARG 4 0.306 -0.953 -9.290 39 HH11 ARG 4 1HH1 ARG 4 -2.508 -0.153 -7.402 40 HH12 ARG 4 2HH1 ARG 4 -3.040 -1.796 -7.260 41 HH21 ARG 4 1HH2 ARG 4 -0.384 -3.119 -9.109 42 HH22 ARG 4 2HH2 ARG 4 -1.830 -3.482 -8.230 43 H ARG 5 H ARG 5 -1.921 5.510 -7.193 44 HA ARG 5 HA ARG 5 -2.749 7.332 -9.310 45 HB2 ARG 5 2HB ARG 5 -3.863 8.563 -7.434 46 HB3 ARG 5 3HB ARG 5 -4.410 6.905 -7.640 47 HG2 ARG 5 2HG ARG 5 -3.407 6.187 -5.696 48 HG3 ARG 5 3HG ARG 5 -2.235 7.506 -5.691 49 HD2 ARG 5 2HD ARG 5 -3.716 8.063 -3.976 50 HD3 ARG 5 3HD ARG 5 -4.255 9.042 -5.339 51 HE ARG 5 HE ARG 5 -5.658 6.600 -5.315 52 HH11 ARG 5 1HH1 ARG 5 -5.416 9.600 -3.566 53 HH12 ARG 5 2HH1 ARG 5 -7.058 9.563 -3.016 54 HH21 ARG 5 1HH2 ARG 5 -7.822 6.539 -4.597 55 HH22 ARG 5 2HH2 ARG 5 -8.426 7.821 -3.602 56 H LEU 6 H LEU 6 -0.397 7.080 -6.753 57 HA LEU 6 HA LEU 6 0.346 9.842 -6.753 58 HB2 LEU 6 2HB LEU 6 0.699 8.375 -4.819 59 HB3 LEU 6 3HB LEU 6 1.850 7.426 -5.758 60 HG LEU 6 HG LEU 6 3.399 9.267 -5.818 61 HD11 LEU 6 1HD1 LEU 6 2.653 11.260 -4.227 62 HD12 LEU 6 2HD1 LEU 6 1.060 10.787 -4.818 63 HD13 LEU 6 3HD1 LEU 6 2.319 11.259 -5.959 64 HD21 LEU 6 1HD2 LEU 6 4.158 9.042 -3.687 65 HD22 LEU 6 2HD2 LEU 6 2.936 7.770 -3.670 66 HD23 LEU 6 3HD2 LEU 6 2.575 9.349 -2.970 67 H ALA 7 H ALA 7 2.036 6.911 -7.890 68 HA ALA 7 HA ALA 7 4.147 8.185 -9.173 69 HB1 ALA 7 1HB ALA 7 4.597 6.132 -10.241 70 HB2 ALA 7 2HB ALA 7 3.873 5.713 -8.688 71 HB3 ALA 7 3HB ALA 7 2.908 5.630 -10.161 72 H ARG 8 H ARG 8 0.843 7.828 -10.143 73 HA ARG 8 HA ARG 8 1.033 8.087 -12.905 74 HB2 ARG 8 2HB ARG 8 -1.077 7.572 -11.867 75 HB3 ARG 8 3HB ARG 8 -1.075 9.099 -10.994 76 HG2 ARG 8 2HG ARG 8 -1.309 10.315 -13.087 77 HG3 ARG 8 3HG ARG 8 -1.269 8.796 -13.983 78 HD2 ARG 8 2HD ARG 8 -3.317 8.072 -12.937 79 HD3 ARG 8 3HD ARG 8 -3.327 9.494 -11.894 80 HE ARG 8 HE ARG 8 -3.305 10.455 -14.474 81 HH11 ARG 8 1HH1 ARG 8 -5.373 8.422 -12.548 82 HH12 ARG 8 2HH1 ARG 8 -6.820 8.880 -13.383 83 HH21 ARG 8 1HH2 ARG 8 -5.203 11.066 -15.582 84 HH22 ARG 8 2HH2 ARG 8 -6.722 10.383 -15.110 85 H LYS 9 H LYS 9 0.393 10.717 -10.576 86 HA LYS 9 HA LYS 9 0.742 12.800 -12.433 87 HB2 LYS 9 2HB LYS 9 1.009 14.241 -10.390 88 HB3 LYS 9 3HB LYS 9 -0.446 13.253 -10.412 89 HG2 LYS 9 2HG LYS 9 0.552 11.674 -8.885 90 HG3 LYS 9 3HG LYS 9 2.080 12.557 -8.928 91 HD2 LYS 9 2HD LYS 9 1.136 13.351 -6.977 92 HD3 LYS 9 3HD LYS 9 0.617 14.569 -8.144 93 HE2 LYS 9 2HE LYS 9 -1.132 12.205 -7.682 94 HE3 LYS 9 3HE LYS 9 -1.079 13.463 -6.448 95 HZ1 LYS 9 1HZ LYS 9 -2.373 13.481 -8.986 96 HZ2 LYS 9 2HZ LYS 9 -1.342 14.812 -8.817 97 HZ3 LYS 9 3HZ LYS 9 -2.562 14.537 -7.677 98 H ILE 10 H ILE 10 2.990 11.177 -10.259 99 HA ILE 10 HA ILE 10 5.169 12.906 -10.510 100 HB ILE 10 HB ILE 10 5.220 9.907 -10.151 101 HG12 ILE 10 2HG1 ILE 10 5.430 12.046 -8.031 102 HG13 ILE 10 3HG1 ILE 10 3.905 11.285 -8.468 103 HG21 ILE 10 1HG2 ILE 10 7.418 10.686 -8.906 104 HG22 ILE 10 2HG2 ILE 10 7.408 10.334 -10.634 105 HG23 ILE 10 3HG2 ILE 10 7.322 12.004 -10.074 106 HD11 ILE 10 1HD1 ILE 10 6.214 9.568 -7.712 107 HD12 ILE 10 2HD1 ILE 10 5.305 10.407 -6.454 108 HD13 ILE 10 3HD1 ILE 10 4.484 9.278 -7.533 109 H ALA 11 H ALA 11 4.678 9.819 -12.238 110 HA ALA 11 HA ALA 11 6.774 10.064 -14.033 111 HB1 ALA 11 1HB ALA 11 5.821 8.307 -15.231 112 HB2 ALA 11 2HB ALA 11 5.217 8.071 -13.591 113 HB3 ALA 11 3HB ALA 11 4.176 8.792 -14.818 114 H HIS 12 H HIS 12 3.376 11.030 -14.490 115 HA HIS 12 HA HIS 12 3.582 12.021 -17.075 116 HB2 HIS 12 2HB HIS 12 1.584 11.858 -15.201 117 HB3 HIS 12 3HB HIS 12 1.828 13.598 -15.326 118 HD1 HIS 12 HD1 HIS 12 0.076 10.865 -16.895 119 HD2 HIS 12 HD2 HIS 12 1.630 14.511 -18.143 120 HE1 HIS 12 HE1 HIS 12 -1.060 11.367 -19.081 121 H ALA 13 H ALA 13 3.778 13.882 -14.036 122 HA ALA 13 HA ALA 13 4.379 16.358 -15.093 123 HB1 ALA 13 1HB ALA 13 3.880 16.008 -12.738 124 HB2 ALA 13 2HB ALA 13 5.418 15.170 -12.523 125 HB3 ALA 13 3HB ALA 13 5.398 16.885 -12.931 126 H VAL 14 H VAL 14 6.577 13.684 -14.357 127 HA VAL 14 HA VAL 14 8.956 15.113 -14.998 128 HB VAL 14 HB VAL 14 8.458 12.136 -14.867 129 HG11 VAL 14 1HG1 VAL 14 10.903 13.751 -15.383 130 HG12 VAL 14 2HG1 VAL 14 11.050 12.284 -14.413 131 HG13 VAL 14 3HG1 VAL 14 10.413 12.197 -16.056 132 HG21 VAL 14 1HG2 VAL 14 8.417 12.422 -12.665 133 HG22 VAL 14 2HG2 VAL 14 10.069 13.034 -12.742 134 HG23 VAL 14 3HG2 VAL 14 8.709 14.151 -12.847 135 H LYS 15 H LYS 15 6.647 13.257 -16.832 136 HA LYS 15 HA LYS 15 8.320 12.980 -19.154 137 HB2 LYS 15 2HB LYS 15 5.367 12.535 -18.708 138 HB3 LYS 15 3HB LYS 15 6.172 12.235 -20.242 139 HG2 LYS 15 2HG LYS 15 7.296 10.397 -19.453 140 HG3 LYS 15 3HG LYS 15 7.230 10.943 -17.776 141 HD2 LYS 15 2HD LYS 15 5.704 9.192 -17.811 142 HD3 LYS 15 3HD LYS 15 4.675 10.611 -18.016 143 HE2 LYS 15 2HE LYS 15 4.851 10.224 -20.504 144 HE3 LYS 15 3HE LYS 15 5.607 8.676 -20.127 145 HZ1 LYS 15 1HZ LYS 15 2.945 9.465 -19.089 146 HZ2 LYS 15 2HZ LYS 15 3.650 7.928 -19.069 147 HZ3 LYS 15 3HZ LYS 15 3.152 8.611 -20.535 148 H LYS 16 H LYS 16 6.360 15.439 -17.847 149 HA LYS 16 HA LYS 16 6.061 16.773 -20.440 150 HB2 LYS 16 2HB LYS 16 4.075 16.592 -18.956 151 HB3 LYS 16 3HB LYS 16 4.923 17.550 -17.749 152 HG2 LYS 16 2HG LYS 16 4.804 19.490 -19.020 153 HG3 LYS 16 3HG LYS 16 4.503 18.605 -20.517 154 HD2 LYS 16 2HD LYS 16 2.277 18.192 -19.969 155 HD3 LYS 16 3HD LYS 16 2.545 18.492 -18.250 156 HE2 LYS 16 2HE LYS 16 1.355 20.363 -19.084 157 HE3 LYS 16 3HE LYS 16 3.022 20.889 -18.861 158 HZ1 LYS 16 1HZ LYS 16 2.554 21.700 -20.936 159 HZ2 LYS 16 2HZ LYS 16 1.545 20.409 -21.354 160 HZ3 LYS 16 3HZ LYS 16 3.224 20.202 -21.345 161 H TYR 17 H TYR 17 7.176 17.489 -17.133 162 HA TYR 17 HA TYR 17 8.248 20.000 -17.593 163 HB2 TYR 17 2HB TYR 17 8.676 17.861 -15.595 164 HB3 TYR 17 3HB TYR 17 9.968 19.048 -15.734 165 HD1 TYR 17 HD1 TYR 17 6.347 18.647 -15.064 166 HD2 TYR 17 HD2 TYR 17 9.728 21.219 -14.827 167 HE1 TYR 17 HE1 TYR 17 5.059 20.201 -13.658 168 HE2 TYR 17 HE2 TYR 17 8.450 22.779 -13.420 169 HH TYR 17 HH TYR 17 5.676 22.007 -11.868 170 H GLY 18 H GLY 18 9.930 16.859 -17.740 171 HA2 GLY 18 2HA GLY 18 12.234 18.150 -18.986 172 HA3 GLY 18 3HA GLY 18 12.146 16.482 -18.439 Start of MODEL 3 1 H1 ARG 1 H ARG 1 -0.199 0.031 1.420 2 HA ARG 1 HA ARG 1 2.164 0.837 -0.057 3 HB2 ARG 1 2HB ARG 1 2.544 -1.537 0.065 4 HB3 ARG 1 3HB ARG 1 0.884 -1.875 -0.407 5 HG2 ARG 1 2HG ARG 1 1.291 -1.005 -2.620 6 HG3 ARG 1 3HG ARG 1 2.924 -0.521 -2.159 7 HD2 ARG 1 2HD ARG 1 2.942 -2.609 -3.424 8 HD3 ARG 1 3HD ARG 1 3.518 -2.855 -1.776 9 HE ARG 1 HE ARG 1 1.749 -4.253 -1.412 10 HH11 ARG 1 1HH1 ARG 1 1.099 -2.324 -4.236 11 HH12 ARG 1 2HH1 ARG 1 -0.343 -3.187 -4.654 12 HH21 ARG 1 1HH2 ARG 1 -0.149 -5.398 -1.952 13 HH22 ARG 1 2HH2 ARG 1 -1.053 -4.935 -3.354 14 H ALA 2 H ALA 2 1.449 2.348 -1.395 15 HA ALA 2 HA ALA 2 -0.590 1.878 -3.302 16 HB1 ALA 2 1HB ALA 2 -1.543 2.729 -0.801 17 HB2 ALA 2 2HB ALA 2 -1.648 4.125 -1.875 18 HB3 ALA 2 3HB ALA 2 -2.437 2.611 -2.317 19 H LEU 3 H LEU 3 0.719 2.694 -4.856 20 HA LEU 3 HA LEU 3 1.266 5.572 -4.734 21 HB2 LEU 3 2HB LEU 3 3.489 5.267 -5.635 22 HB3 LEU 3 3HB LEU 3 3.322 4.409 -4.104 23 HG LEU 3 HG LEU 3 2.971 2.939 -6.686 24 HD11 LEU 3 1HD1 LEU 3 5.248 2.606 -6.989 25 HD12 LEU 3 2HD1 LEU 3 5.652 3.194 -5.377 26 HD13 LEU 3 3HD1 LEU 3 5.139 4.328 -6.626 27 HD21 LEU 3 1HD2 LEU 3 2.385 1.681 -4.778 28 HD22 LEU 3 2HD2 LEU 3 3.793 2.244 -3.877 29 HD23 LEU 3 3HD2 LEU 3 3.998 1.135 -5.234 30 H ARG 4 H ARG 4 -0.711 3.835 -6.120 31 HA ARG 4 HA ARG 4 0.022 3.817 -8.895 32 HB2 ARG 4 2HB ARG 4 -2.312 3.018 -7.277 33 HB3 ARG 4 3HB ARG 4 -2.685 3.553 -8.910 34 HG2 ARG 4 2HG ARG 4 -2.380 1.128 -8.767 35 HG3 ARG 4 3HG ARG 4 -1.198 1.887 -9.835 36 HD2 ARG 4 2HD ARG 4 0.518 1.705 -8.203 37 HD3 ARG 4 3HD ARG 4 -0.635 1.255 -6.948 38 HE ARG 4 HE ARG 4 -0.621 -0.590 -9.129 39 HH11 ARG 4 1HH1 ARG 4 1.021 0.323 -6.198 40 HH12 ARG 4 2HH1 ARG 4 1.667 -1.259 -5.913 41 HH21 ARG 4 1HH2 ARG 4 0.224 -2.677 -8.765 42 HH22 ARG 4 2HH2 ARG 4 1.214 -2.965 -7.374 43 H ARG 5 H ARG 5 -1.902 5.890 -6.787 44 HA ARG 5 HA ARG 5 -2.644 7.627 -8.991 45 HB2 ARG 5 2HB ARG 5 -3.783 8.952 -7.200 46 HB3 ARG 5 3HB ARG 5 -4.324 7.283 -7.317 47 HG2 ARG 5 2HG ARG 5 -3.269 6.668 -5.340 48 HG3 ARG 5 3HG ARG 5 -2.195 8.069 -5.368 49 HD2 ARG 5 2HD ARG 5 -3.706 8.689 -3.747 50 HD3 ARG 5 3HD ARG 5 -4.420 9.419 -5.184 51 HE ARG 5 HE ARG 5 -5.515 6.884 -4.941 52 HH11 ARG 5 1HH1 ARG 5 -5.438 9.849 -3.117 53 HH12 ARG 5 2HH1 ARG 5 -6.989 9.594 -2.389 54 HH21 ARG 5 1HH2 ARG 5 -7.559 6.538 -3.990 55 HH22 ARG 5 2HH2 ARG 5 -8.195 7.710 -2.886 56 H LEU 6 H LEU 6 -0.331 7.504 -6.388 57 HA LEU 6 HA LEU 6 0.423 10.261 -6.526 58 HB2 LEU 6 2HB LEU 6 0.756 8.968 -4.498 59 HB3 LEU 6 3HB LEU 6 1.839 7.872 -5.352 60 HG LEU 6 HG LEU 6 3.484 9.634 -5.594 61 HD11 LEU 6 1HD1 LEU 6 3.015 11.778 -4.244 62 HD12 LEU 6 2HD1 LEU 6 1.318 11.333 -4.418 63 HD13 LEU 6 3HD1 LEU 6 2.306 11.618 -5.851 64 HD21 LEU 6 1HD2 LEU 6 4.279 9.101 -3.592 65 HD22 LEU 6 2HD2 LEU 6 2.697 8.439 -3.183 66 HD23 LEU 6 3HD2 LEU 6 3.078 10.117 -2.794 67 H ALA 7 H ALA 7 2.197 7.290 -7.406 68 HA ALA 7 HA ALA 7 4.283 8.523 -8.769 69 HB1 ALA 7 1HB ALA 7 4.812 6.396 -9.662 70 HB2 ALA 7 2HB ALA 7 4.118 6.105 -8.066 71 HB3 ALA 7 3HB ALA 7 3.145 5.839 -9.513 72 H ARG 8 H ARG 8 1.012 7.952 -9.749 73 HA ARG 8 HA ARG 8 1.265 7.990 -12.527 74 HB2 ARG 8 2HB ARG 8 -0.839 7.410 -11.552 75 HB3 ARG 8 3HB ARG 8 -0.950 8.956 -10.721 76 HG2 ARG 8 2HG ARG 8 -1.279 10.113 -12.799 77 HG3 ARG 8 3HG ARG 8 -0.998 8.629 -13.712 78 HD2 ARG 8 2HD ARG 8 -2.990 7.631 -12.754 79 HD3 ARG 8 3HD ARG 8 -3.249 9.057 -11.751 80 HE ARG 8 HE ARG 8 -3.222 10.044 -14.280 81 HH11 ARG 8 1HH1 ARG 8 -5.000 7.510 -12.688 82 HH12 ARG 8 2HH1 ARG 8 -6.406 7.693 -13.682 83 HH21 ARG 8 1HH2 ARG 8 -5.068 10.296 -15.596 84 HH22 ARG 8 2HH2 ARG 8 -6.444 9.277 -15.336 85 H LYS 9 H LYS 9 0.386 10.738 -10.424 86 HA LYS 9 HA LYS 9 0.637 12.700 -12.416 87 HB2 LYS 9 2HB LYS 9 0.798 14.296 -10.476 88 HB3 LYS 9 3HB LYS 9 -0.596 13.224 -10.442 89 HG2 LYS 9 2HG LYS 9 0.478 11.816 -8.801 90 HG3 LYS 9 3HG LYS 9 1.949 12.787 -8.891 91 HD2 LYS 9 2HD LYS 9 -0.670 14.055 -8.181 92 HD3 LYS 9 3HD LYS 9 0.272 13.201 -6.957 93 HE2 LYS 9 2HE LYS 9 1.627 15.226 -8.674 94 HE3 LYS 9 3HE LYS 9 0.587 15.781 -7.363 95 HZ1 LYS 9 1HZ LYS 9 3.177 14.483 -7.248 96 HZ2 LYS 9 2HZ LYS 9 2.050 13.940 -6.110 97 HZ3 LYS 9 3HZ LYS 9 2.465 15.578 -6.173 98 H ILE 10 H ILE 10 2.962 11.391 -10.111 99 HA ILE 10 HA ILE 10 5.029 13.236 -10.505 100 HB ILE 10 HB ILE 10 5.265 10.296 -9.854 101 HG12 ILE 10 2HG1 ILE 10 5.318 12.635 -7.947 102 HG13 ILE 10 3HG1 ILE 10 3.843 11.751 -8.325 103 HG21 ILE 10 1HG2 ILE 10 7.396 11.304 -8.682 104 HG22 ILE 10 2HG2 ILE 10 7.425 10.833 -10.381 105 HG23 ILE 10 3HG2 ILE 10 7.228 12.529 -9.940 106 HD11 ILE 10 1HD1 ILE 10 6.277 10.334 -7.319 107 HD12 ILE 10 2HD1 ILE 10 5.143 11.115 -6.216 108 HD13 ILE 10 3HD1 ILE 10 4.591 9.819 -7.277 109 H ALA 11 H ALA 11 4.696 9.991 -11.957 110 HA ALA 11 HA ALA 11 6.815 10.181 -13.744 111 HB1 ALA 11 1HB ALA 11 5.965 8.273 -14.792 112 HB2 ALA 11 2HB ALA 11 5.390 8.146 -13.129 113 HB3 ALA 11 3HB ALA 11 4.296 8.690 -14.402 114 H HIS 12 H HIS 12 3.374 10.910 -14.302 115 HA HIS 12 HA HIS 12 3.551 11.662 -16.971 116 HB2 HIS 12 2HB HIS 12 1.541 11.548 -15.114 117 HB3 HIS 12 3HB HIS 12 1.692 13.283 -15.371 118 HD1 HIS 12 HD1 HIS 12 1.593 13.988 -18.030 119 HD2 HIS 12 HD2 HIS 12 -0.007 10.307 -16.956 120 HE1 HIS 12 HE1 HIS 12 0.083 13.331 -19.931 121 H ALA 13 H ALA 13 3.602 13.808 -14.120 122 HA ALA 13 HA ALA 13 4.074 16.204 -15.402 123 HB1 ALA 13 1HB ALA 13 3.567 16.074 -13.035 124 HB2 ALA 13 2HB ALA 13 5.125 15.310 -12.720 125 HB3 ALA 13 3HB ALA 13 5.060 16.979 -13.287 126 H VAL 14 H VAL 14 6.411 13.741 -14.408 127 HA VAL 14 HA VAL 14 8.713 15.239 -15.161 128 HB VAL 14 HB VAL 14 8.381 12.263 -14.761 129 HG11 VAL 14 1HG1 VAL 14 10.739 13.959 -15.408 130 HG12 VAL 14 2HG1 VAL 14 10.955 12.594 -14.311 131 HG13 VAL 14 3HG1 VAL 14 10.341 12.327 -15.943 132 HG21 VAL 14 1HG2 VAL 14 8.362 12.706 -12.586 133 HG22 VAL 14 2HG2 VAL 14 9.923 13.512 -12.734 134 HG23 VAL 14 3HG2 VAL 14 8.433 14.434 -12.927 135 H LYS 15 H LYS 15 6.528 13.107 -16.836 136 HA LYS 15 HA LYS 15 8.244 12.717 -19.112 137 HB2 LYS 15 2HB LYS 15 5.319 12.135 -18.640 138 HB3 LYS 15 3HB LYS 15 6.152 11.754 -20.141 139 HG2 LYS 15 2HG LYS 15 7.388 10.068 -19.189 140 HG3 LYS 15 3HG LYS 15 7.258 10.745 -17.564 141 HD2 LYS 15 2HD LYS 15 5.278 9.730 -17.161 142 HD3 LYS 15 3HD LYS 15 4.716 9.936 -18.822 143 HE2 LYS 15 2HE LYS 15 4.998 7.591 -18.389 144 HE3 LYS 15 3HE LYS 15 6.255 8.113 -19.509 145 HZ1 LYS 15 1HZ LYS 15 7.855 8.096 -17.786 146 HZ2 LYS 15 2HZ LYS 15 7.016 6.632 -17.668 147 HZ3 LYS 15 3HZ LYS 15 6.682 7.887 -16.584 148 H LYS 16 H LYS 16 6.122 15.159 -18.045 149 HA LYS 16 HA LYS 16 5.774 16.236 -20.749 150 HB2 LYS 16 2HB LYS 16 3.786 16.074 -19.270 151 HB3 LYS 16 3HB LYS 16 4.564 17.176 -18.142 152 HG2 LYS 16 2HG LYS 16 4.364 18.991 -19.584 153 HG3 LYS 16 3HG LYS 16 4.104 17.962 -20.994 154 HD2 LYS 16 2HD LYS 16 1.899 17.531 -20.433 155 HD3 LYS 16 3HD LYS 16 2.153 17.908 -18.727 156 HE2 LYS 16 2HE LYS 16 2.231 20.240 -19.168 157 HE3 LYS 16 3HE LYS 16 2.330 19.975 -20.908 158 HZ1 LYS 16 1HZ LYS 16 0.077 20.589 -19.710 159 HZ2 LYS 16 2HZ LYS 16 -0.008 18.910 -19.521 160 HZ3 LYS 16 3HZ LYS 16 0.119 19.582 -21.069 161 H TYR 17 H TYR 17 6.811 17.314 -17.515 162 HA TYR 17 HA TYR 17 7.734 19.833 -18.186 163 HB2 TYR 17 2HB TYR 17 8.288 17.897 -16.018 164 HB3 TYR 17 3HB TYR 17 9.506 19.145 -16.260 165 HD1 TYR 17 HD1 TYR 17 5.903 18.598 -15.578 166 HD2 TYR 17 HD2 TYR 17 9.146 21.350 -15.505 167 HE1 TYR 17 HE1 TYR 17 4.520 20.183 -14.303 168 HE2 TYR 17 HE2 TYR 17 7.773 22.943 -14.229 169 HH TYR 17 HH TYR 17 5.232 22.259 -12.563 170 H GLY 18 H GLY 18 9.547 16.768 -18.170 171 HA2 GLY 18 2HA GLY 18 11.769 18.110 -19.538 172 HA3 GLY 18 3HA GLY 18 11.828 16.520 -18.790 Start of MODEL 4 1 H1 ARG 1 H ARG 1 4.313 1.080 -0.940 2 HA ARG 1 HA ARG 1 2.676 -0.450 -2.821 3 HB2 ARG 1 2HB ARG 1 2.937 -1.441 -0.628 4 HB3 ARG 1 3HB ARG 1 2.392 0.041 0.146 5 HG2 ARG 1 2HG ARG 1 0.180 -0.283 -0.515 6 HG3 ARG 1 3HG ARG 1 0.629 -1.456 -1.754 7 HD2 ARG 1 2HD ARG 1 0.861 -1.865 1.225 8 HD3 ARG 1 3HD ARG 1 -0.405 -2.530 0.193 9 HE ARG 1 HE ARG 1 1.924 -3.408 -0.928 10 HH11 ARG 1 1HH1 ARG 1 0.477 -3.616 2.232 11 HH12 ARG 1 2HH1 ARG 1 1.211 -5.139 2.611 12 HH21 ARG 1 1HH2 ARG 1 2.897 -5.413 -0.440 13 HH22 ARG 1 2HH2 ARG 1 2.588 -6.160 1.090 14 H ALA 2 H ALA 2 0.553 0.130 -3.339 15 HA ALA 2 HA ALA 2 -1.077 1.581 -3.992 16 HB1 ALA 2 1HB ALA 2 -0.729 3.208 -1.529 17 HB2 ALA 2 2HB ALA 2 -2.202 2.611 -2.293 18 HB3 ALA 2 3HB ALA 2 -1.189 1.515 -1.355 19 H LEU 3 H LEU 3 1.151 2.197 -5.274 20 HA LEU 3 HA LEU 3 1.407 5.124 -5.054 21 HB2 LEU 3 2HB LEU 3 3.573 4.731 -6.341 22 HB3 LEU 3 3HB LEU 3 3.533 4.271 -4.640 23 HG LEU 3 HG LEU 3 2.958 2.185 -6.687 24 HD11 LEU 3 1HD1 LEU 3 5.264 1.746 -7.086 25 HD12 LEU 3 2HD1 LEU 3 5.761 3.007 -5.958 26 HD13 LEU 3 3HD1 LEU 3 4.972 3.442 -7.474 27 HD21 LEU 3 1HD2 LEU 3 4.659 1.205 -4.762 28 HD22 LEU 3 2HD2 LEU 3 2.901 1.060 -4.760 29 HD23 LEU 3 3HD2 LEU 3 3.679 2.371 -3.872 30 H ARG 4 H ARG 4 -0.606 3.510 -6.529 31 HA ARG 4 HA ARG 4 -0.026 3.590 -9.300 32 HB2 ARG 4 2HB ARG 4 -2.501 3.275 -7.656 33 HB3 ARG 4 3HB ARG 4 -2.666 3.619 -9.373 34 HG2 ARG 4 2HG ARG 4 -2.774 1.241 -8.986 35 HG3 ARG 4 3HG ARG 4 -1.307 1.638 -9.884 36 HD2 ARG 4 2HD ARG 4 0.032 1.431 -7.908 37 HD3 ARG 4 3HD ARG 4 -1.401 1.259 -6.897 38 HE ARG 4 HE ARG 4 -0.115 -0.790 -8.437 39 HH11 ARG 4 1HH1 ARG 4 -3.130 0.254 -7.043 40 HH12 ARG 4 2HH1 ARG 4 -3.789 -1.346 -6.947 41 HH21 ARG 4 1HH2 ARG 4 -0.972 -2.900 -8.316 42 HH22 ARG 4 2HH2 ARG 4 -2.561 -3.139 -7.671 43 H ARG 5 H ARG 5 -2.381 5.594 -7.519 44 HA ARG 5 HA ARG 5 -2.557 7.555 -9.540 45 HB2 ARG 5 2HB ARG 5 -3.709 8.916 -7.812 46 HB3 ARG 5 3HB ARG 5 -4.348 7.284 -7.945 47 HG2 ARG 5 2HG ARG 5 -4.219 7.393 -5.696 48 HG3 ARG 5 3HG ARG 5 -2.562 6.870 -6.008 49 HD2 ARG 5 2HD ARG 5 -2.121 8.647 -4.659 50 HD3 ARG 5 3HD ARG 5 -2.184 9.490 -6.207 51 HE ARG 5 HE ARG 5 -4.729 9.363 -4.898 52 HH11 ARG 5 1HH1 ARG 5 -1.713 11.094 -5.078 53 HH12 ARG 5 2HH1 ARG 5 -2.379 12.577 -4.480 54 HH21 ARG 5 1HH2 ARG 5 -5.617 11.310 -4.109 55 HH22 ARG 5 2HH2 ARG 5 -4.599 12.699 -3.928 56 H LEU 6 H LEU 6 -0.468 7.187 -6.761 57 HA LEU 6 HA LEU 6 0.529 9.833 -6.682 58 HB2 LEU 6 2HB LEU 6 0.757 8.285 -4.814 59 HB3 LEU 6 3HB LEU 6 1.802 7.250 -5.786 60 HG LEU 6 HG LEU 6 3.540 8.916 -5.782 61 HD11 LEU 6 1HD1 LEU 6 3.246 10.998 -4.428 62 HD12 LEU 6 2HD1 LEU 6 1.522 10.636 -4.356 63 HD13 LEU 6 3HD1 LEU 6 2.294 10.942 -5.912 64 HD21 LEU 6 1HD2 LEU 6 4.261 8.554 -3.653 65 HD22 LEU 6 2HD2 LEU 6 2.930 7.397 -3.698 66 HD23 LEU 6 3HD2 LEU 6 2.706 8.971 -2.933 67 H ALA 7 H ALA 7 2.297 6.912 -7.712 68 HA ALA 7 HA ALA 7 4.361 8.214 -9.026 69 HB1 ALA 7 1HB ALA 7 4.865 6.121 -10.072 70 HB2 ALA 7 2HB ALA 7 4.290 5.794 -8.437 71 HB3 ALA 7 3HB ALA 7 3.220 5.539 -9.815 72 H ARG 8 H ARG 8 1.106 7.601 -10.070 73 HA ARG 8 HA ARG 8 1.402 7.805 -12.839 74 HB2 ARG 8 2HB ARG 8 -0.688 7.079 -11.914 75 HB3 ARG 8 3HB ARG 8 -0.886 8.588 -11.033 76 HG2 ARG 8 2HG ARG 8 -1.487 9.768 -12.919 77 HG3 ARG 8 3HG ARG 8 -0.703 8.625 -14.010 78 HD2 ARG 8 2HD ARG 8 -2.428 7.044 -13.762 79 HD3 ARG 8 3HD ARG 8 -3.079 7.860 -12.341 80 HE ARG 8 HE ARG 8 -3.343 9.714 -14.293 81 HH11 ARG 8 1HH1 ARG 8 -4.282 6.372 -14.022 82 HH12 ARG 8 2HH1 ARG 8 -5.669 6.543 -15.046 83 HH21 ARG 8 1HH2 ARG 8 -5.166 9.952 -15.643 84 HH22 ARG 8 2HH2 ARG 8 -6.170 8.580 -15.968 85 H LYS 9 H LYS 9 0.296 10.390 -10.640 86 HA LYS 9 HA LYS 9 0.505 12.470 -12.491 87 HB2 LYS 9 2HB LYS 9 0.586 13.956 -10.458 88 HB3 LYS 9 3HB LYS 9 -0.762 12.828 -10.506 89 HG2 LYS 9 2HG LYS 9 0.370 11.360 -8.948 90 HG3 LYS 9 3HG LYS 9 1.782 12.421 -8.945 91 HD2 LYS 9 2HD LYS 9 -0.935 13.445 -8.186 92 HD3 LYS 9 3HD LYS 9 0.093 12.622 -7.011 93 HE2 LYS 9 2HE LYS 9 0.931 15.026 -8.627 94 HE3 LYS 9 3HE LYS 9 0.300 15.103 -6.982 95 HZ1 LYS 9 1HZ LYS 9 2.175 13.544 -6.387 96 HZ2 LYS 9 2HZ LYS 9 2.621 15.128 -6.779 97 HZ3 LYS 9 3HZ LYS 9 2.834 13.885 -7.907 98 H ILE 10 H ILE 10 2.870 11.160 -10.224 99 HA ILE 10 HA ILE 10 4.852 13.111 -10.501 100 HB ILE 10 HB ILE 10 5.223 10.153 -10.017 101 HG12 ILE 10 2HG1 ILE 10 5.206 12.343 -7.949 102 HG13 ILE 10 3HG1 ILE 10 3.727 11.520 -8.432 103 HG21 ILE 10 1HG2 ILE 10 7.293 11.198 -8.766 104 HG22 ILE 10 2HG2 ILE 10 7.359 10.816 -10.486 105 HG23 ILE 10 3HG2 ILE 10 7.078 12.476 -9.962 106 HD11 ILE 10 1HD1 ILE 10 6.096 9.945 -7.531 107 HD12 ILE 10 2HD1 ILE 10 5.018 10.700 -6.357 108 HD13 ILE 10 3HD1 ILE 10 4.386 9.516 -7.500 109 H ALA 11 H ALA 11 4.726 9.929 -12.117 110 HA ALA 11 HA ALA 11 6.831 10.336 -13.878 111 HB1 ALA 11 1HB ALA 11 6.070 8.453 -15.062 112 HB2 ALA 11 2HB ALA 11 5.563 8.186 -13.393 113 HB3 ALA 11 3HB ALA 11 4.392 8.734 -14.593 114 H HIS 12 H HIS 12 3.361 10.923 -14.406 115 HA HIS 12 HA HIS 12 3.502 11.811 -17.038 116 HB2 HIS 12 2HB HIS 12 1.503 11.519 -15.171 117 HB3 HIS 12 3HB HIS 12 1.554 13.265 -15.398 118 HD1 HIS 12 HD1 HIS 12 -0.759 11.281 -16.359 119 HD2 HIS 12 HD2 HIS 12 2.212 12.962 -18.728 120 HE1 HIS 12 HE1 HIS 12 -1.676 11.265 -18.701 121 H ALA 13 H ALA 13 3.428 13.812 -14.084 122 HA ALA 13 HA ALA 13 3.781 16.290 -15.242 123 HB1 ALA 13 1HB ALA 13 3.274 15.977 -12.877 124 HB2 ALA 13 2HB ALA 13 4.897 15.343 -12.604 125 HB3 ALA 13 3HB ALA 13 4.677 17.024 -13.090 126 H VAL 14 H VAL 14 6.237 13.902 -14.358 127 HA VAL 14 HA VAL 14 8.463 15.553 -15.015 128 HB VAL 14 HB VAL 14 8.289 12.547 -14.776 129 HG11 VAL 14 1HG1 VAL 14 10.553 14.404 -15.298 130 HG12 VAL 14 2HG1 VAL 14 10.835 12.998 -14.270 131 HG13 VAL 14 3HG1 VAL 14 10.256 12.782 -15.922 132 HG21 VAL 14 1HG2 VAL 14 8.197 12.879 -12.583 133 HG22 VAL 14 2HG2 VAL 14 9.735 13.740 -12.658 134 HG23 VAL 14 3HG2 VAL 14 8.219 14.626 -12.827 135 H LYS 15 H LYS 15 6.431 13.347 -16.803 136 HA LYS 15 HA LYS 15 8.171 13.205 -19.089 137 HB2 LYS 15 2HB LYS 15 5.309 12.361 -18.632 138 HB3 LYS 15 3HB LYS 15 6.136 12.150 -20.170 139 HG2 LYS 15 2HG LYS 15 7.584 10.552 -19.319 140 HG3 LYS 15 3HG LYS 15 7.317 11.057 -17.649 141 HD2 LYS 15 2HD LYS 15 5.396 9.854 -17.450 142 HD3 LYS 15 3HD LYS 15 4.963 10.061 -19.149 143 HE2 LYS 15 2HE LYS 15 5.515 7.856 -19.195 144 HE3 LYS 15 3HE LYS 15 7.114 8.539 -19.480 145 HZ1 LYS 15 1HZ LYS 15 6.093 7.124 -17.168 146 HZ2 LYS 15 2HZ LYS 15 7.044 8.476 -16.813 147 HZ3 LYS 15 3HZ LYS 15 7.673 7.227 -17.765 148 H LYS 16 H LYS 16 5.937 15.458 -17.899 149 HA LYS 16 HA LYS 16 5.465 16.616 -20.553 150 HB2 LYS 16 2HB LYS 16 3.511 16.262 -19.064 151 HB3 LYS 16 3HB LYS 16 4.232 17.358 -17.893 152 HG2 LYS 16 2HG LYS 16 3.990 19.213 -19.347 153 HG3 LYS 16 3HG LYS 16 3.569 18.173 -20.709 154 HD2 LYS 16 2HD LYS 16 1.416 18.111 -20.113 155 HD3 LYS 16 3HD LYS 16 1.815 17.768 -18.428 156 HE2 LYS 16 2HE LYS 16 0.791 19.817 -18.232 157 HE3 LYS 16 3HE LYS 16 2.481 20.297 -18.382 158 HZ1 LYS 16 1HZ LYS 16 0.935 21.588 -19.796 159 HZ2 LYS 16 2HZ LYS 16 0.582 20.178 -20.660 160 HZ3 LYS 16 3HZ LYS 16 2.152 20.808 -20.675 161 H TYR 17 H TYR 17 6.680 17.464 -17.331 162 HA TYR 17 HA TYR 17 7.422 20.115 -18.001 163 HB2 TYR 17 2HB TYR 17 7.871 18.269 -15.729 164 HB3 TYR 17 3HB TYR 17 9.056 19.556 -15.924 165 HD1 TYR 17 HD1 TYR 17 5.559 18.776 -15.161 166 HD2 TYR 17 HD2 TYR 17 8.434 21.881 -15.605 167 HE1 TYR 17 HE1 TYR 17 4.027 20.345 -14.048 168 HE2 TYR 17 HE2 TYR 17 6.911 23.458 -14.492 169 HH TYR 17 HH TYR 17 4.920 23.751 -13.564 170 H GLY 18 H GLY 18 9.352 17.137 -17.643 171 HA2 GLY 18 2HA GLY 18 10.934 17.027 -19.716 172 HA3 GLY 18 3HA GLY 18 11.592 18.481 -18.981 Start of MODEL 5 1 H1 ARG 1 H ARG 1 2.781 0.245 -4.157 2 HA ARG 1 HA ARG 1 1.287 -0.869 -1.874 3 HB2 ARG 1 2HB ARG 1 3.735 0.868 -1.979 4 HB3 ARG 1 3HB ARG 1 2.695 0.869 -0.561 5 HG2 ARG 1 2HG ARG 1 4.393 -0.664 -0.077 6 HG3 ARG 1 3HG ARG 1 3.000 -1.652 -0.523 7 HD2 ARG 1 2HD ARG 1 3.908 -2.225 -2.583 8 HD3 ARG 1 3HD ARG 1 5.016 -0.853 -2.585 9 HE ARG 1 HE ARG 1 5.622 -2.606 -0.450 10 HH11 ARG 1 1HH1 ARG 1 5.870 -2.317 -3.910 11 HH12 ARG 1 2HH1 ARG 1 7.270 -3.332 -4.025 12 HH21 ARG 1 1HH2 ARG 1 7.465 -3.943 -0.588 13 HH22 ARG 1 2HH2 ARG 1 8.175 -4.257 -2.135 14 H ALA 2 H ALA 2 -0.326 0.225 -3.617 15 HA ALA 2 HA ALA 2 -1.920 1.815 -3.951 16 HB1 ALA 2 1HB ALA 2 -1.229 3.051 -1.315 17 HB2 ALA 2 2HB ALA 2 -2.807 2.850 -2.078 18 HB3 ALA 2 3HB ALA 2 -1.978 1.455 -1.387 19 H LEU 3 H LEU 3 0.377 2.391 -5.239 20 HA LEU 3 HA LEU 3 0.623 5.308 -4.909 21 HB2 LEU 3 2HB LEU 3 2.770 3.398 -5.821 22 HB3 LEU 3 3HB LEU 3 2.927 5.149 -5.698 23 HG LEU 3 HG LEU 3 2.411 3.347 -3.338 24 HD11 LEU 3 1HD1 LEU 3 4.527 2.684 -4.119 25 HD12 LEU 3 2HD1 LEU 3 4.845 3.852 -2.838 26 HD13 LEU 3 3HD1 LEU 3 4.986 4.337 -4.528 27 HD21 LEU 3 1HD2 LEU 3 3.663 5.639 -2.490 28 HD22 LEU 3 2HD2 LEU 3 1.933 5.312 -2.391 29 HD23 LEU 3 3HD2 LEU 3 2.582 6.226 -3.753 30 H ARG 4 H ARG 4 -1.170 3.669 -6.600 31 HA ARG 4 HA ARG 4 -0.252 3.792 -9.290 32 HB2 ARG 4 2HB ARG 4 -2.941 3.397 -8.008 33 HB3 ARG 4 3HB ARG 4 -2.794 3.584 -9.751 34 HG2 ARG 4 2HG ARG 4 -2.809 1.280 -9.406 35 HG3 ARG 4 3HG ARG 4 -1.106 1.676 -9.642 36 HD2 ARG 4 2HD ARG 4 -0.570 1.289 -7.449 37 HD3 ARG 4 3HD ARG 4 -2.187 1.687 -6.872 38 HE ARG 4 HE ARG 4 -1.219 -0.889 -7.543 39 HH11 ARG 4 1HH1 ARG 4 -4.063 1.112 -7.714 40 HH12 ARG 4 2HH1 ARG 4 -5.164 -0.226 -7.697 41 HH21 ARG 4 1HH2 ARG 4 -2.658 -2.658 -7.519 42 HH22 ARG 4 2HH2 ARG 4 -4.364 -2.370 -7.585 43 H ARG 5 H ARG 5 -2.689 5.735 -7.548 44 HA ARG 5 HA ARG 5 -2.938 7.661 -9.613 45 HB2 ARG 5 2HB ARG 5 -4.110 9.012 -7.860 46 HB3 ARG 5 3HB ARG 5 -4.748 7.387 -8.069 47 HG2 ARG 5 2HG ARG 5 -3.878 6.649 -6.046 48 HG3 ARG 5 3HG ARG 5 -2.713 7.971 -5.956 49 HD2 ARG 5 2HD ARG 5 -4.151 9.092 -4.688 50 HD3 ARG 5 3HD ARG 5 -5.252 9.166 -6.063 51 HE ARG 5 HE ARG 5 -5.467 7.461 -3.751 52 HH11 ARG 5 1HH1 ARG 5 -6.391 7.941 -7.073 53 HH12 ARG 5 2HH1 ARG 5 -7.817 6.964 -6.954 54 HH21 ARG 5 1HH2 ARG 5 -7.341 6.172 -3.582 55 HH22 ARG 5 2HH2 ARG 5 -8.357 5.959 -4.968 56 H LEU 6 H LEU 6 -0.819 7.331 -6.866 57 HA LEU 6 HA LEU 6 0.103 10.034 -6.852 58 HB2 LEU 6 2HB LEU 6 0.240 8.600 -4.880 59 HB3 LEU 6 3HB LEU 6 1.357 7.533 -5.728 60 HG LEU 6 HG LEU 6 3.061 9.232 -5.731 61 HD11 LEU 6 1HD1 LEU 6 2.466 11.338 -4.287 62 HD12 LEU 6 2HD1 LEU 6 0.825 10.974 -4.819 63 HD13 LEU 6 3HD1 LEU 6 2.088 11.286 -6.009 64 HD21 LEU 6 1HD2 LEU 6 3.589 8.435 -3.728 65 HD22 LEU 6 2HD2 LEU 6 1.892 8.142 -3.349 66 HD23 LEU 6 3HD2 LEU 6 2.615 9.714 -3.002 67 H ALA 7 H ALA 7 1.820 7.023 -7.708 68 HA ALA 7 HA ALA 7 4.012 8.201 -8.930 69 HB1 ALA 7 1HB ALA 7 4.488 6.078 -9.883 70 HB2 ALA 7 2HB ALA 7 3.737 5.781 -8.315 71 HB3 ALA 7 3HB ALA 7 2.797 5.586 -9.794 72 H ARG 8 H ARG 8 0.785 7.748 -10.125 73 HA ARG 8 HA ARG 8 1.217 7.890 -12.878 74 HB2 ARG 8 2HB ARG 8 -0.955 7.312 -12.057 75 HB3 ARG 8 3HB ARG 8 -1.094 8.831 -11.183 76 HG2 ARG 8 2HG ARG 8 -1.242 10.058 -13.255 77 HG3 ARG 8 3HG ARG 8 -0.976 8.579 -14.180 78 HD2 ARG 8 2HD ARG 8 -3.366 9.317 -14.028 79 HD3 ARG 8 3HD ARG 8 -3.059 7.670 -13.479 80 HE ARG 8 HE ARG 8 -3.660 8.294 -11.352 81 HH11 ARG 8 1HH1 ARG 8 -3.226 11.131 -13.322 82 HH12 ARG 8 2HH1 ARG 8 -3.894 12.211 -12.144 83 HH21 ARG 8 1HH2 ARG 8 -4.540 9.706 -9.792 84 HH22 ARG 8 2HH2 ARG 8 -4.640 11.400 -10.135 85 H LYS 9 H LYS 9 0.189 10.578 -10.765 86 HA LYS 9 HA LYS 9 0.612 12.606 -12.642 87 HB2 LYS 9 2HB LYS 9 0.686 14.122 -10.633 88 HB3 LYS 9 3HB LYS 9 -0.726 13.078 -10.727 89 HG2 LYS 9 2HG LYS 9 0.240 11.575 -9.092 90 HG3 LYS 9 3HG LYS 9 1.711 12.549 -9.037 91 HD2 LYS 9 2HD LYS 9 0.521 13.275 -7.173 92 HD3 LYS 9 3HD LYS 9 0.133 14.489 -8.395 93 HE2 LYS 9 2HE LYS 9 -1.634 12.108 -8.154 94 HE3 LYS 9 3HE LYS 9 -1.741 13.354 -6.911 95 HZ1 LYS 9 1HZ LYS 9 -2.711 14.784 -8.315 96 HZ2 LYS 9 2HZ LYS 9 -3.089 13.408 -9.223 97 HZ3 LYS 9 3HZ LYS 9 -1.739 14.344 -9.629 98 H ILE 10 H ILE 10 2.776 11.196 -10.237 99 HA ILE 10 HA ILE 10 4.889 13.017 -10.461 100 HB ILE 10 HB ILE 10 5.041 10.060 -9.865 101 HG12 ILE 10 2HG1 ILE 10 5.020 12.355 -7.905 102 HG13 ILE 10 3HG1 ILE 10 3.555 11.510 -8.390 103 HG21 ILE 10 1HG2 ILE 10 7.111 11.030 -8.541 104 HG22 ILE 10 2HG2 ILE 10 7.238 10.552 -10.233 105 HG23 ILE 10 3HG2 ILE 10 7.043 12.253 -9.810 106 HD11 ILE 10 1HD1 ILE 10 5.929 10.122 -7.184 107 HD12 ILE 10 2HD1 ILE 10 4.584 10.757 -6.236 108 HD13 ILE 10 3HD1 ILE 10 4.302 9.484 -7.424 109 H ALA 11 H ALA 11 4.642 9.795 -11.981 110 HA ALA 11 HA ALA 11 6.855 9.998 -13.637 111 HB1 ALA 11 1HB ALA 11 6.054 8.122 -14.769 112 HB2 ALA 11 2HB ALA 11 5.353 7.975 -13.157 113 HB3 ALA 11 3HB ALA 11 4.368 8.561 -14.497 114 H HIS 12 H HIS 12 3.465 10.780 -14.403 115 HA HIS 12 HA HIS 12 3.826 11.592 -17.035 116 HB2 HIS 12 2HB HIS 12 1.695 11.453 -15.327 117 HB3 HIS 12 3HB HIS 12 1.882 13.194 -15.512 118 HD1 HIS 12 HD1 HIS 12 -0.151 13.595 -16.959 119 HD2 HIS 12 HD2 HIS 12 2.392 10.694 -18.502 120 HE1 HIS 12 HE1 HIS 12 -0.997 13.125 -19.280 121 H ALA 13 H ALA 13 3.719 13.668 -14.135 122 HA ALA 13 HA ALA 13 4.293 16.090 -15.323 123 HB1 ALA 13 1HB ALA 13 3.640 15.885 -12.990 124 HB2 ALA 13 2HB ALA 13 5.187 15.128 -12.608 125 HB3 ALA 13 3HB ALA 13 5.135 16.810 -13.138 126 H VAL 14 H VAL 14 6.540 13.576 -14.248 127 HA VAL 14 HA VAL 14 8.899 15.065 -14.821 128 HB VAL 14 HB VAL 14 8.512 12.084 -14.515 129 HG11 VAL 14 1HG1 VAL 14 10.923 13.767 -14.975 130 HG12 VAL 14 2HG1 VAL 14 11.057 12.373 -13.901 131 HG13 VAL 14 3HG1 VAL 14 10.541 12.153 -15.574 132 HG21 VAL 14 1HG2 VAL 14 8.311 12.514 -12.345 133 HG22 VAL 14 2HG2 VAL 14 9.935 13.202 -12.357 134 HG23 VAL 14 3HG2 VAL 14 8.535 14.240 -12.631 135 H LYS 15 H LYS 15 6.797 13.005 -16.681 136 HA LYS 15 HA LYS 15 8.647 12.647 -18.856 137 HB2 LYS 15 2HB LYS 15 5.685 12.106 -18.611 138 HB3 LYS 15 3HB LYS 15 6.640 11.711 -20.034 139 HG2 LYS 15 2HG LYS 15 7.696 9.968 -19.016 140 HG3 LYS 15 3HG LYS 15 7.564 10.682 -17.407 141 HD2 LYS 15 2HD LYS 15 5.241 10.108 -17.274 142 HD3 LYS 15 3HD LYS 15 5.222 9.590 -18.961 143 HE2 LYS 15 2HE LYS 15 6.897 7.835 -18.351 144 HE3 LYS 15 3HE LYS 15 6.679 8.293 -16.663 145 HZ1 LYS 15 1HZ LYS 15 5.175 6.487 -18.109 146 HZ2 LYS 15 2HZ LYS 15 4.173 7.833 -17.902 147 HZ3 LYS 15 3HZ LYS 15 4.851 7.069 -16.554 148 H LYS 16 H LYS 16 6.487 15.087 -17.861 149 HA LYS 16 HA LYS 16 6.322 16.234 -20.554 150 HB2 LYS 16 2HB LYS 16 4.235 16.070 -19.242 151 HB3 LYS 16 3HB LYS 16 4.949 17.090 -17.998 152 HG2 LYS 16 2HG LYS 16 4.969 18.975 -19.417 153 HG3 LYS 16 3HG LYS 16 4.623 17.995 -20.844 154 HD2 LYS 16 2HD LYS 16 2.400 17.804 -20.341 155 HD3 LYS 16 3HD LYS 16 2.671 17.931 -18.602 156 HE2 LYS 16 2HE LYS 16 1.706 19.966 -19.014 157 HE3 LYS 16 3HE LYS 16 3.407 20.377 -19.230 158 HZ1 LYS 16 1HZ LYS 16 2.428 21.281 -21.090 159 HZ2 LYS 16 2HZ LYS 16 1.315 20.020 -21.270 160 HZ3 LYS 16 3HZ LYS 16 2.938 19.780 -21.682 161 H TYR 17 H TYR 17 7.147 17.232 -17.234 162 HA TYR 17 HA TYR 17 8.134 19.753 -17.771 163 HB2 TYR 17 2HB TYR 17 8.556 17.744 -15.640 164 HB3 TYR 17 3HB TYR 17 9.791 18.992 -15.772 165 HD1 TYR 17 HD1 TYR 17 6.140 18.465 -15.353 166 HD2 TYR 17 HD2 TYR 17 9.411 21.152 -14.924 167 HE1 TYR 17 HE1 TYR 17 4.694 20.016 -14.106 168 HE2 TYR 17 HE2 TYR 17 7.975 22.709 -13.675 169 HH TYR 17 HH TYR 17 5.975 22.830 -12.498 170 H GLY 18 H GLY 18 9.864 16.652 -17.863 171 HA2 GLY 18 2HA GLY 18 11.945 17.988 -19.475 172 HA3 GLY 18 3HA GLY 18 12.373 16.875 -18.185 Start of MODEL 6 1 H1 ARG 1 H ARG 1 0.264 -1.220 0.238 2 HA ARG 1 HA ARG 1 2.001 0.416 -1.212 3 HB2 ARG 1 2HB ARG 1 0.654 -2.123 -2.153 4 HB3 ARG 1 3HB ARG 1 2.110 -1.408 -2.833 5 HG2 ARG 1 2HG ARG 1 1.912 -2.333 0.020 6 HG3 ARG 1 3HG ARG 1 2.466 -3.363 -1.302 7 HD2 ARG 1 2HD ARG 1 3.701 -0.729 -0.507 8 HD3 ARG 1 3HD ARG 1 4.326 -2.318 -0.067 9 HE ARG 1 HE ARG 1 4.034 -2.092 -2.877 10 HH11 ARG 1 1HH1 ARG 1 6.052 -1.082 -0.226 11 HH12 ARG 1 2HH1 ARG 1 7.474 -0.914 -1.201 12 HH21 ARG 1 1HH2 ARG 1 5.900 -1.876 -4.172 13 HH22 ARG 1 2HH2 ARG 1 7.386 -1.365 -3.446 14 H ALA 2 H ALA 2 -0.074 2.046 -1.158 15 HA ALA 2 HA ALA 2 -1.438 1.837 -3.751 16 HB1 ALA 2 1HB ALA 2 -2.120 3.915 -1.721 17 HB2 ALA 2 2HB ALA 2 -3.152 3.126 -2.914 18 HB3 ALA 2 3HB ALA 2 -2.640 2.249 -1.472 19 H LEU 3 H LEU 3 0.186 2.553 -5.124 20 HA LEU 3 HA LEU 3 0.826 5.414 -4.884 21 HB2 LEU 3 2HB LEU 3 3.057 5.007 -5.724 22 HB3 LEU 3 3HB LEU 3 2.780 4.094 -4.242 23 HG LEU 3 HG LEU 3 2.375 2.721 -6.855 24 HD11 LEU 3 1HD1 LEU 3 4.479 2.880 -7.529 25 HD12 LEU 3 2HD1 LEU 3 5.059 2.334 -5.956 26 HD13 LEU 3 3HD1 LEU 3 4.780 4.051 -6.245 27 HD21 LEU 3 1HD2 LEU 3 1.822 1.525 -4.844 28 HD22 LEU 3 2HD2 LEU 3 3.392 1.903 -4.136 29 HD23 LEU 3 3HD2 LEU 3 3.289 0.830 -5.533 30 H ARG 4 H ARG 4 -1.203 3.876 -6.421 31 HA ARG 4 HA ARG 4 -0.378 3.921 -9.165 32 HB2 ARG 4 2HB ARG 4 -2.890 3.351 -7.684 33 HB3 ARG 4 3HB ARG 4 -3.047 3.836 -9.367 34 HG2 ARG 4 2HG ARG 4 -2.991 1.415 -9.138 35 HG3 ARG 4 3HG ARG 4 -1.598 2.004 -10.047 36 HD2 ARG 4 2HD ARG 4 -0.160 1.731 -8.167 37 HD3 ARG 4 3HD ARG 4 -1.524 1.420 -7.094 38 HE ARG 4 HE ARG 4 -1.646 -0.539 -9.012 39 HH11 ARG 4 1HH1 ARG 4 0.695 0.535 -6.671 40 HH12 ARG 4 2HH1 ARG 4 1.397 -1.035 -6.459 41 HH21 ARG 4 1HH2 ARG 4 -0.730 -2.611 -8.743 42 HH22 ARG 4 2HH2 ARG 4 0.586 -2.823 -7.639 43 H ARG 5 H ARG 5 -2.640 5.905 -7.252 44 HA ARG 5 HA ARG 5 -2.993 7.823 -9.338 45 HB2 ARG 5 2HB ARG 5 -4.125 9.160 -7.543 46 HB3 ARG 5 3HB ARG 5 -4.773 7.541 -7.767 47 HG2 ARG 5 2HG ARG 5 -3.938 6.780 -5.760 48 HG3 ARG 5 3HG ARG 5 -2.680 8.017 -5.696 49 HD2 ARG 5 2HD ARG 5 -4.149 8.803 -4.115 50 HD3 ARG 5 3HD ARG 5 -4.716 9.652 -5.552 51 HE ARG 5 HE ARG 5 -6.153 7.303 -5.442 52 HH11 ARG 5 1HH1 ARG 5 -5.692 10.095 -3.414 53 HH12 ARG 5 2HH1 ARG 5 -7.272 10.006 -2.709 54 HH21 ARG 5 1HH2 ARG 5 -8.236 7.175 -4.521 55 HH22 ARG 5 2HH2 ARG 5 -8.718 8.344 -3.339 56 H LEU 6 H LEU 6 -0.807 7.466 -6.653 57 HA LEU 6 HA LEU 6 0.108 10.174 -6.633 58 HB2 LEU 6 2HB LEU 6 0.310 8.804 -4.656 59 HB3 LEU 6 3HB LEU 6 1.312 7.643 -5.525 60 HG LEU 6 HG LEU 6 3.111 9.263 -5.674 61 HD11 LEU 6 1HD1 LEU 6 2.714 11.365 -4.143 62 HD12 LEU 6 2HD1 LEU 6 1.032 11.098 -4.598 63 HD13 LEU 6 3HD1 LEU 6 2.249 11.372 -5.845 64 HD21 LEU 6 1HD2 LEU 6 3.810 8.571 -3.686 65 HD22 LEU 6 2HD2 LEU 6 2.162 8.059 -3.320 66 HD23 LEU 6 3HD2 LEU 6 2.705 9.675 -2.867 67 H ALA 7 H ALA 7 1.789 7.164 -7.562 68 HA ALA 7 HA ALA 7 3.959 8.360 -8.820 69 HB1 ALA 7 1HB ALA 7 4.507 6.256 -9.640 70 HB2 ALA 7 2HB ALA 7 3.554 5.891 -8.201 71 HB3 ALA 7 3HB ALA 7 2.819 5.769 -9.800 72 H ARG 8 H ARG 8 0.705 7.936 -9.923 73 HA ARG 8 HA ARG 8 1.052 8.048 -12.689 74 HB2 ARG 8 2HB ARG 8 -1.103 7.517 -11.802 75 HB3 ARG 8 3HB ARG 8 -1.186 9.040 -10.927 76 HG2 ARG 8 2HG ARG 8 -1.490 10.277 -12.921 77 HG3 ARG 8 3HG ARG 8 -1.080 8.884 -13.925 78 HD2 ARG 8 2HD ARG 8 -3.091 7.726 -13.010 79 HD3 ARG 8 3HD ARG 8 -3.523 9.228 -12.194 80 HE ARG 8 HE ARG 8 -3.195 9.902 -14.835 81 HH11 ARG 8 1HH1 ARG 8 -5.190 7.684 -13.040 82 HH12 ARG 8 2HH1 ARG 8 -6.507 7.755 -14.164 83 HH21 ARG 8 1HH2 ARG 8 -4.922 10.004 -16.322 84 HH22 ARG 8 2HH2 ARG 8 -6.353 9.075 -16.030 85 H LYS 9 H LYS 9 0.183 10.766 -10.543 86 HA LYS 9 HA LYS 9 0.584 12.771 -12.465 87 HB2 LYS 9 2HB LYS 9 0.707 14.310 -10.482 88 HB3 LYS 9 3HB LYS 9 -0.714 13.275 -10.525 89 HG2 LYS 9 2HG LYS 9 0.278 11.792 -8.888 90 HG3 LYS 9 3HG LYS 9 1.758 12.754 -8.886 91 HD2 LYS 9 2HD LYS 9 0.825 14.435 -7.662 92 HD3 LYS 9 3HD LYS 9 -0.788 14.171 -8.329 93 HE2 LYS 9 2HE LYS 9 -0.721 11.959 -6.996 94 HE3 LYS 9 3HE LYS 9 0.604 12.714 -6.110 95 HZ1 LYS 9 1HZ LYS 9 -1.618 13.019 -5.085 96 HZ2 LYS 9 2HZ LYS 9 -2.079 13.940 -6.427 97 HZ3 LYS 9 3HZ LYS 9 -0.824 14.473 -5.427 98 H ILE 10 H ILE 10 2.762 11.331 -10.094 99 HA ILE 10 HA ILE 10 4.905 13.113 -10.361 100 HB ILE 10 HB ILE 10 5.011 10.156 -9.754 101 HG12 ILE 10 2HG1 ILE 10 5.057 12.467 -7.812 102 HG13 ILE 10 3HG1 ILE 10 3.577 11.624 -8.258 103 HG21 ILE 10 1HG2 ILE 10 7.121 11.112 -8.466 104 HG22 ILE 10 2HG2 ILE 10 7.211 10.591 -10.148 105 HG23 ILE 10 3HG2 ILE 10 7.056 12.305 -9.764 106 HD11 ILE 10 1HD1 ILE 10 5.971 10.252 -7.072 107 HD12 ILE 10 2HD1 ILE 10 4.626 10.880 -6.120 108 HD13 ILE 10 3HD1 ILE 10 4.350 9.597 -7.298 109 H ALA 11 H ALA 11 4.583 9.885 -11.855 110 HA ALA 11 HA ALA 11 6.766 10.033 -13.549 111 HB1 ALA 11 1HB ALA 11 5.903 8.175 -14.662 112 HB2 ALA 11 2HB ALA 11 5.211 8.053 -13.044 113 HB3 ALA 11 3HB ALA 11 4.232 8.662 -14.379 114 H HIS 12 H HIS 12 3.386 10.895 -14.274 115 HA HIS 12 HA HIS 12 3.738 11.701 -16.910 116 HB2 HIS 12 2HB HIS 12 1.618 11.590 -15.202 117 HB3 HIS 12 3HB HIS 12 1.843 13.330 -15.346 118 HD1 HIS 12 HD1 HIS 12 0.292 14.211 -17.043 119 HD2 HIS 12 HD2 HIS 12 1.795 10.492 -18.125 120 HE1 HIS 12 HE1 HIS 12 -0.701 13.715 -19.300 121 H ALA 13 H ALA 13 3.716 13.767 -14.001 122 HA ALA 13 HA ALA 13 4.319 16.183 -15.186 123 HB1 ALA 13 1HB ALA 13 3.703 15.970 -12.840 124 HB2 ALA 13 2HB ALA 13 5.248 15.192 -12.493 125 HB3 ALA 13 3HB ALA 13 5.207 16.877 -13.013 126 H VAL 14 H VAL 14 6.532 13.618 -14.166 127 HA VAL 14 HA VAL 14 8.911 15.063 -14.775 128 HB VAL 14 HB VAL 14 8.472 12.089 -14.474 129 HG11 VAL 14 1HG1 VAL 14 10.906 13.729 -14.967 130 HG12 VAL 14 2HG1 VAL 14 11.032 12.328 -13.901 131 HG13 VAL 14 3HG1 VAL 14 10.484 12.125 -15.566 132 HG21 VAL 14 1HG2 VAL 14 8.276 12.542 -12.307 133 HG22 VAL 14 2HG2 VAL 14 9.942 13.121 -12.327 134 HG23 VAL 14 3HG2 VAL 14 8.612 14.252 -12.582 135 H LYS 15 H LYS 15 6.742 13.037 -16.601 136 HA LYS 15 HA LYS 15 8.546 12.667 -18.812 137 HB2 LYS 15 2HB LYS 15 5.585 12.150 -18.506 138 HB3 LYS 15 3HB LYS 15 6.504 11.754 -19.952 139 HG2 LYS 15 2HG LYS 15 7.608 10.018 -18.947 140 HG3 LYS 15 3HG LYS 15 7.437 10.703 -17.329 141 HD2 LYS 15 2HD LYS 15 5.924 8.979 -17.224 142 HD3 LYS 15 3HD LYS 15 4.881 10.294 -17.772 143 HE2 LYS 15 2HE LYS 15 4.722 9.457 -19.906 144 HE3 LYS 15 3HE LYS 15 6.265 8.611 -19.805 145 HZ1 LYS 15 1HZ LYS 15 5.195 6.773 -19.249 146 HZ2 LYS 15 2HZ LYS 15 3.712 7.574 -19.390 147 HZ3 LYS 15 3HZ LYS 15 4.511 7.530 -17.899 148 H LYS 16 H LYS 16 6.449 15.132 -17.763 149 HA LYS 16 HA LYS 16 6.222 16.282 -20.450 150 HB2 LYS 16 2HB LYS 16 4.181 16.134 -19.039 151 HB3 LYS 16 3HB LYS 16 4.946 17.197 -17.866 152 HG2 LYS 16 2HG LYS 16 4.831 19.042 -19.275 153 HG3 LYS 16 3HG LYS 16 4.606 18.047 -20.715 154 HD2 LYS 16 2HD LYS 16 2.373 17.634 -20.235 155 HD3 LYS 16 3HD LYS 16 2.570 18.006 -18.521 156 HE2 LYS 16 2HE LYS 16 1.324 19.761 -19.675 157 HE3 LYS 16 3HE LYS 16 2.860 20.367 -19.058 158 HZ1 LYS 16 1HZ LYS 16 3.799 20.197 -21.255 159 HZ2 LYS 16 2HZ LYS 16 2.392 21.132 -21.320 160 HZ3 LYS 16 3HZ LYS 16 2.368 19.531 -21.865 161 H TYR 17 H TYR 17 7.185 17.241 -17.157 162 HA TYR 17 HA TYR 17 8.195 19.754 -17.742 163 HB2 TYR 17 2HB TYR 17 8.598 17.768 -15.587 164 HB3 TYR 17 3HB TYR 17 9.861 18.983 -15.754 165 HD1 TYR 17 HD1 TYR 17 6.226 18.520 -15.211 166 HD2 TYR 17 HD2 TYR 17 9.525 21.198 -15.002 167 HE1 TYR 17 HE1 TYR 17 4.836 20.125 -13.969 168 HE2 TYR 17 HE2 TYR 17 8.145 22.810 -13.759 169 HH TYR 17 HH TYR 17 4.789 22.062 -12.879 170 H GLY 18 H GLY 18 9.953 16.655 -17.643 171 HA2 GLY 18 2HA GLY 18 11.562 17.184 -19.866 172 HA3 GLY 18 3HA GLY 18 12.445 17.714 -18.441 Start of MODEL 7 1 H1 ARG 1 H ARG 1 2.129 1.052 0.096 2 HA ARG 1 HA ARG 1 2.563 -0.291 -2.405 3 HB2 ARG 1 2HB ARG 1 0.364 -0.462 -0.344 4 HB3 ARG 1 3HB ARG 1 0.386 -1.435 -1.809 5 HG2 ARG 1 2HG ARG 1 2.662 -1.442 0.147 6 HG3 ARG 1 3HG ARG 1 1.267 -2.510 0.312 7 HD2 ARG 1 2HD ARG 1 2.696 -3.854 -0.878 8 HD3 ARG 1 3HD ARG 1 1.802 -3.084 -2.188 9 HE ARG 1 HE ARG 1 3.993 -1.479 -1.718 10 HH11 ARG 1 1HH1 ARG 1 3.421 -4.783 -2.652 11 HH12 ARG 1 2HH1 ARG 1 4.881 -4.912 -3.576 12 HH21 ARG 1 1HH2 ARG 1 5.919 -1.636 -2.931 13 HH22 ARG 1 2HH2 ARG 1 6.302 -3.121 -3.732 14 H ALA 2 H ALA 2 0.158 1.984 -1.133 15 HA ALA 2 HA ALA 2 -1.333 2.087 -3.577 16 HB1 ALA 2 1HB ALA 2 -2.508 2.525 -1.552 17 HB2 ALA 2 2HB ALA 2 -1.380 3.806 -1.105 18 HB3 ALA 2 3HB ALA 2 -2.469 4.028 -2.474 19 H LEU 3 H LEU 3 0.583 2.505 -4.954 20 HA LEU 3 HA LEU 3 1.189 5.387 -5.060 21 HB2 LEU 3 2HB LEU 3 2.996 3.229 -6.107 22 HB3 LEU 3 3HB LEU 3 3.370 4.930 -5.837 23 HG LEU 3 HG LEU 3 2.941 2.824 -3.719 24 HD11 LEU 3 1HD1 LEU 3 5.080 2.411 -4.322 25 HD12 LEU 3 2HD1 LEU 3 5.392 3.799 -3.281 26 HD13 LEU 3 3HD1 LEU 3 5.309 4.010 -5.030 27 HD21 LEU 3 1HD2 LEU 3 3.961 4.934 -2.406 28 HD22 LEU 3 2HD2 LEU 3 2.233 4.608 -2.532 29 HD23 LEU 3 3HD2 LEU 3 2.992 5.772 -3.619 30 H ARG 4 H ARG 4 -0.967 3.801 -6.343 31 HA ARG 4 HA ARG 4 -0.325 3.539 -9.113 32 HB2 ARG 4 2HB ARG 4 -2.793 3.354 -7.458 33 HB3 ARG 4 3HB ARG 4 -2.986 3.622 -9.185 34 HG2 ARG 4 2HG ARG 4 -3.106 1.291 -8.841 35 HG3 ARG 4 3HG ARG 4 -1.523 1.612 -9.552 36 HD2 ARG 4 2HD ARG 4 -0.431 1.345 -7.469 37 HD3 ARG 4 3HD ARG 4 -1.956 1.386 -6.585 38 HE ARG 4 HE ARG 4 -1.751 -0.787 -8.459 39 HH11 ARG 4 1HH1 ARG 4 -1.073 0.283 -5.216 40 HH12 ARG 4 2HH1 ARG 4 -1.027 -1.319 -4.558 41 HH21 ARG 4 1HH2 ARG 4 -1.693 -2.901 -7.605 42 HH22 ARG 4 2HH2 ARG 4 -1.378 -3.129 -5.918 43 H ARG 5 H ARG 5 -2.561 5.778 -7.458 44 HA ARG 5 HA ARG 5 -2.681 7.542 -9.696 45 HB2 ARG 5 2HB ARG 5 -3.895 9.047 -8.102 46 HB3 ARG 5 3HB ARG 5 -4.580 7.434 -8.244 47 HG2 ARG 5 2HG ARG 5 -3.896 6.811 -6.128 48 HG3 ARG 5 3HG ARG 5 -2.631 8.040 -6.066 49 HD2 ARG 5 2HD ARG 5 -4.018 9.407 -5.002 50 HD3 ARG 5 3HD ARG 5 -5.107 9.374 -6.389 51 HE ARG 5 HE ARG 5 -6.511 8.063 -5.167 52 HH11 ARG 5 1HH1 ARG 5 -3.310 7.796 -3.827 53 HH12 ARG 5 2HH1 ARG 5 -3.808 6.805 -2.495 54 HH21 ARG 5 1HH2 ARG 5 -7.180 6.759 -3.419 55 HH22 ARG 5 2HH2 ARG 5 -6.010 6.215 -2.265 56 H LEU 6 H LEU 6 -0.717 7.331 -6.829 57 HA LEU 6 HA LEU 6 0.272 9.989 -6.850 58 HB2 LEU 6 2HB LEU 6 0.377 8.471 -4.903 59 HB3 LEU 6 3HB LEU 6 1.573 7.498 -5.757 60 HG LEU 6 HG LEU 6 3.176 9.291 -5.662 61 HD11 LEU 6 1HD1 LEU 6 2.473 11.326 -4.211 62 HD12 LEU 6 2HD1 LEU 6 0.836 10.872 -4.685 63 HD13 LEU 6 3HD1 LEU 6 2.030 11.278 -5.918 64 HD21 LEU 6 1HD2 LEU 6 3.692 8.434 -3.681 65 HD22 LEU 6 2HD2 LEU 6 2.000 8.075 -3.336 66 HD23 LEU 6 3HD2 LEU 6 2.666 9.660 -2.937 67 H ALA 7 H ALA 7 1.941 6.961 -7.741 68 HA ALA 7 HA ALA 7 4.150 8.132 -8.952 69 HB1 ALA 7 1HB ALA 7 4.578 6.000 -9.961 70 HB2 ALA 7 2HB ALA 7 3.924 5.730 -8.345 71 HB3 ALA 7 3HB ALA 7 2.894 5.514 -9.760 72 H ARG 8 H ARG 8 0.916 7.742 -10.127 73 HA ARG 8 HA ARG 8 1.375 7.896 -12.892 74 HB2 ARG 8 2HB ARG 8 -0.788 7.245 -12.100 75 HB3 ARG 8 3HB ARG 8 -0.977 8.747 -11.205 76 HG2 ARG 8 2HG ARG 8 -1.289 10.001 -13.172 77 HG3 ARG 8 3HG ARG 8 -0.716 8.682 -14.194 78 HD2 ARG 8 2HD ARG 8 -2.668 7.364 -13.651 79 HD3 ARG 8 3HD ARG 8 -3.217 8.592 -12.511 80 HE ARG 8 HE ARG 8 -3.479 8.639 -15.379 81 HH11 ARG 8 1HH1 ARG 8 -3.415 10.536 -12.461 82 HH12 ARG 8 2HH1 ARG 8 -4.314 11.851 -13.140 83 HH21 ARG 8 1HH2 ARG 8 -4.663 10.365 -16.286 84 HH22 ARG 8 2HH2 ARG 8 -5.024 11.753 -15.316 85 H LYS 9 H LYS 9 0.284 10.513 -10.723 86 HA LYS 9 HA LYS 9 0.641 12.593 -12.555 87 HB2 LYS 9 2HB LYS 9 0.700 14.065 -10.515 88 HB3 LYS 9 3HB LYS 9 -0.685 12.985 -10.611 89 HG2 LYS 9 2HG LYS 9 0.354 11.472 -9.025 90 HG3 LYS 9 3HG LYS 9 1.789 12.498 -8.962 91 HD2 LYS 9 2HD LYS 9 0.449 12.987 -7.042 92 HD3 LYS 9 3HD LYS 9 0.326 14.356 -8.150 93 HE2 LYS 9 2HE LYS 9 -1.861 13.937 -8.643 94 HE3 LYS 9 3HE LYS 9 -1.695 12.199 -8.401 95 HZ1 LYS 9 1HZ LYS 9 -1.673 14.180 -6.193 96 HZ2 LYS 9 2HZ LYS 9 -1.742 12.496 -6.054 97 HZ3 LYS 9 3HZ LYS 9 -3.057 13.346 -6.694 98 H ILE 10 H ILE 10 2.865 11.179 -10.207 99 HA ILE 10 HA ILE 10 4.934 13.058 -10.432 100 HB ILE 10 HB ILE 10 5.156 10.102 -9.851 101 HG12 ILE 10 2HG1 ILE 10 5.129 12.371 -7.865 102 HG13 ILE 10 3HG1 ILE 10 3.656 11.545 -8.362 103 HG21 ILE 10 1HG2 ILE 10 7.223 11.072 -8.553 104 HG22 ILE 10 2HG2 ILE 10 7.335 10.675 -10.267 105 HG23 ILE 10 3HG2 ILE 10 7.107 12.350 -9.763 106 HD11 ILE 10 1HD1 ILE 10 6.034 10.197 -7.109 107 HD12 ILE 10 2HD1 ILE 10 4.581 10.701 -6.245 108 HD13 ILE 10 3HD1 ILE 10 4.479 9.461 -7.495 109 H ALA 11 H ALA 11 4.671 9.865 -12.007 110 HA ALA 11 HA ALA 11 6.888 10.110 -13.671 111 HB1 ALA 11 1HB ALA 11 6.105 8.230 -14.812 112 HB2 ALA 11 2HB ALA 11 5.429 8.057 -13.191 113 HB3 ALA 11 3HB ALA 11 4.415 8.637 -14.512 114 H HIS 12 H HIS 12 3.478 10.856 -14.378 115 HA HIS 12 HA HIS 12 3.783 11.686 -17.011 116 HB2 HIS 12 2HB HIS 12 1.684 11.509 -15.276 117 HB3 HIS 12 3HB HIS 12 1.853 13.255 -15.433 118 HD1 HIS 12 HD1 HIS 12 0.358 10.389 -17.046 119 HD2 HIS 12 HD2 HIS 12 1.764 14.103 -18.267 120 HE1 HIS 12 HE1 HIS 12 -0.668 10.786 -19.307 121 H ALA 13 H ALA 13 3.692 13.752 -14.103 122 HA ALA 13 HA ALA 13 4.233 16.181 -15.293 123 HB1 ALA 13 1HB ALA 13 3.602 15.984 -12.960 124 HB2 ALA 13 2HB ALA 13 5.146 15.216 -12.586 125 HB3 ALA 13 3HB ALA 13 5.103 16.899 -13.111 126 H VAL 14 H VAL 14 6.511 13.685 -14.246 127 HA VAL 14 HA VAL 14 8.851 15.198 -14.840 128 HB VAL 14 HB VAL 14 8.499 12.213 -14.531 129 HG11 VAL 14 1HG1 VAL 14 10.887 13.925 -15.004 130 HG12 VAL 14 2HG1 VAL 14 11.044 12.531 -13.933 131 HG13 VAL 14 3HG1 VAL 14 10.520 12.308 -15.603 132 HG21 VAL 14 1HG2 VAL 14 8.396 12.580 -12.344 133 HG22 VAL 14 2HG2 VAL 14 9.928 13.452 -12.399 134 HG23 VAL 14 3HG2 VAL 14 8.412 14.318 -12.642 135 H LYS 15 H LYS 15 6.766 13.089 -16.672 136 HA LYS 15 HA LYS 15 8.601 12.781 -18.870 137 HB2 LYS 15 2HB LYS 15 5.660 12.142 -18.589 138 HB3 LYS 15 3HB LYS 15 6.617 11.767 -20.016 139 HG2 LYS 15 2HG LYS 15 7.734 10.066 -18.996 140 HG3 LYS 15 3HG LYS 15 7.599 10.791 -17.392 141 HD2 LYS 15 2HD LYS 15 6.190 8.895 -17.364 142 HD3 LYS 15 3HD LYS 15 5.118 10.288 -17.526 143 HE2 LYS 15 2HE LYS 15 6.108 8.838 -19.951 144 HE3 LYS 15 3HE LYS 15 4.744 8.208 -19.030 145 HZ1 LYS 15 1HZ LYS 15 3.727 9.530 -20.595 146 HZ2 LYS 15 2HZ LYS 15 4.941 10.707 -20.571 147 HZ3 LYS 15 3HZ LYS 15 3.844 10.599 -19.288 148 H LYS 16 H LYS 16 6.416 15.169 -17.841 149 HA LYS 16 HA LYS 16 6.137 16.289 -20.536 150 HB2 LYS 16 2HB LYS 16 4.109 16.072 -19.110 151 HB3 LYS 16 3HB LYS 16 4.837 17.184 -17.957 152 HG2 LYS 16 2HG LYS 16 4.635 19.001 -19.390 153 HG3 LYS 16 3HG LYS 16 4.453 17.978 -20.817 154 HD2 LYS 16 2HD LYS 16 2.241 17.459 -20.313 155 HD3 LYS 16 3HD LYS 16 2.423 17.900 -18.614 156 HE2 LYS 16 2HE LYS 16 1.163 19.639 -19.560 157 HE3 LYS 16 3HE LYS 16 2.801 20.278 -19.441 158 HZ1 LYS 16 1HZ LYS 16 1.355 20.436 -21.646 159 HZ2 LYS 16 2HZ LYS 16 2.100 18.945 -21.933 160 HZ3 LYS 16 3HZ LYS 16 3.043 20.324 -21.671 161 H TYR 17 H TYR 17 7.098 17.285 -17.256 162 HA TYR 17 HA TYR 17 8.012 19.837 -17.876 163 HB2 TYR 17 2HB TYR 17 8.458 17.904 -15.683 164 HB3 TYR 17 3HB TYR 17 9.686 19.153 -15.862 165 HD1 TYR 17 HD1 TYR 17 6.074 18.573 -15.302 166 HD2 TYR 17 HD2 TYR 17 9.264 21.386 -15.190 167 HE1 TYR 17 HE1 TYR 17 4.627 20.158 -14.100 168 HE2 TYR 17 HE2 TYR 17 7.826 22.978 -13.986 169 HH TYR 17 HH TYR 17 5.597 22.590 -12.375 170 H GLY 18 H GLY 18 9.927 16.837 -17.605 171 HA2 GLY 18 2HA GLY 18 12.074 18.172 -19.116 172 HA3 GLY 18 3HA GLY 18 12.287 16.772 -18.075 Start of MODEL 8 1 H1 ARG 1 H ARG 1 2.695 -0.940 -0.026 2 HA ARG 1 HA ARG 1 2.918 -0.239 -2.387 3 HB2 ARG 1 2HB ARG 1 1.299 -1.816 -3.384 4 HB3 ARG 1 3HB ARG 1 2.162 -2.515 -2.020 5 HG2 ARG 1 2HG ARG 1 0.263 -2.256 -0.595 6 HG3 ARG 1 3HG ARG 1 -0.596 -1.330 -1.828 7 HD2 ARG 1 2HD ARG 1 -1.100 -3.181 -3.062 8 HD3 ARG 1 3HD ARG 1 0.349 -4.047 -2.555 9 HE ARG 1 HE ARG 1 -1.245 -3.818 -0.311 10 HH11 ARG 1 1HH1 ARG 1 -1.472 -5.258 -3.472 11 HH12 ARG 1 2HH1 ARG 1 -2.527 -6.533 -2.959 12 HH21 ARG 1 1HH2 ARG 1 -2.634 -5.492 0.377 13 HH22 ARG 1 2HH2 ARG 1 -3.188 -6.665 -0.770 14 H ALA 2 H ALA 2 1.816 2.039 -1.222 15 HA ALA 2 HA ALA 2 -0.513 2.612 -2.931 16 HB1 ALA 2 1HB ALA 2 -1.280 4.144 -1.376 17 HB2 ALA 2 2HB ALA 2 -0.597 2.878 -0.354 18 HB3 ALA 2 3HB ALA 2 0.313 4.360 -0.649 19 H LEU 3 H LEU 3 1.045 2.874 -4.713 20 HA LEU 3 HA LEU 3 2.015 5.634 -4.799 21 HB2 LEU 3 2HB LEU 3 4.120 5.036 -5.728 22 HB3 LEU 3 3HB LEU 3 3.910 4.123 -4.235 23 HG LEU 3 HG LEU 3 2.975 2.526 -6.399 24 HD11 LEU 3 1HD1 LEU 3 4.555 2.586 -8.004 25 HD12 LEU 3 2HD1 LEU 3 5.842 3.007 -6.875 26 HD13 LEU 3 3HD1 LEU 3 4.742 4.254 -7.461 27 HD21 LEU 3 1HD2 LEU 3 5.579 1.943 -5.148 28 HD22 LEU 3 2HD2 LEU 3 4.143 0.931 -5.313 29 HD23 LEU 3 3HD2 LEU 3 4.221 2.152 -4.042 30 H ARG 4 H ARG 4 -0.275 4.111 -5.931 31 HA ARG 4 HA ARG 4 0.217 3.809 -8.734 32 HB2 ARG 4 2HB ARG 4 -2.166 3.669 -6.949 33 HB3 ARG 4 3HB ARG 4 -2.438 3.912 -8.669 34 HG2 ARG 4 2HG ARG 4 -2.564 1.571 -8.172 35 HG3 ARG 4 3HG ARG 4 -1.113 1.878 -9.127 36 HD2 ARG 4 2HD ARG 4 0.282 1.709 -7.206 37 HD3 ARG 4 3HD ARG 4 -1.108 1.705 -6.122 38 HE ARG 4 HE ARG 4 -1.524 -0.481 -7.653 39 HH11 ARG 4 1HH1 ARG 4 1.204 0.653 -5.810 40 HH12 ARG 4 2HH1 ARG 4 1.793 -0.938 -5.458 41 HH21 ARG 4 1HH2 ARG 4 -0.758 -2.580 -7.195 42 HH22 ARG 4 2HH2 ARG 4 0.677 -2.776 -6.247 43 H ARG 5 H ARG 5 -1.906 6.075 -6.970 44 HA ARG 5 HA ARG 5 -2.148 7.830 -9.199 45 HB2 ARG 5 2HB ARG 5 -3.207 9.371 -7.523 46 HB3 ARG 5 3HB ARG 5 -3.936 7.774 -7.616 47 HG2 ARG 5 2HG ARG 5 -3.304 7.210 -5.521 48 HG3 ARG 5 3HG ARG 5 -1.802 8.132 -5.608 49 HD2 ARG 5 2HD ARG 5 -2.767 10.033 -4.845 50 HD3 ARG 5 3HD ARG 5 -4.303 9.699 -5.642 51 HE ARG 5 HE ARG 5 -3.884 7.890 -3.509 52 HH11 ARG 5 1HH1 ARG 5 -4.712 11.207 -4.165 53 HH12 ARG 5 2HH1 ARG 5 -5.619 11.406 -2.702 54 HH21 ARG 5 1HH2 ARG 5 -5.076 8.140 -1.580 55 HH22 ARG 5 2HH2 ARG 5 -5.825 9.661 -1.232 56 H LEU 6 H LEU 6 0.030 7.602 -6.494 57 HA LEU 6 HA LEU 6 1.052 10.241 -6.588 58 HB2 LEU 6 2HB LEU 6 1.314 8.725 -4.665 59 HB3 LEU 6 3HB LEU 6 2.393 7.718 -5.627 60 HG LEU 6 HG LEU 6 4.052 9.460 -5.686 61 HD11 LEU 6 1HD1 LEU 6 3.641 11.546 -4.309 62 HD12 LEU 6 2HD1 LEU 6 1.931 11.117 -4.349 63 HD13 LEU 6 3HD1 LEU 6 2.793 11.444 -5.852 64 HD21 LEU 6 1HD2 LEU 6 4.488 8.257 -3.799 65 HD22 LEU 6 2HD2 LEU 6 2.921 8.613 -3.072 66 HD23 LEU 6 3HD2 LEU 6 4.193 9.836 -3.070 67 H ALA 7 H ALA 7 2.674 7.222 -7.585 68 HA ALA 7 HA ALA 7 4.742 8.403 -9.010 69 HB1 ALA 7 1HB ALA 7 5.050 6.246 -10.085 70 HB2 ALA 7 2HB ALA 7 4.696 6.036 -8.370 71 HB3 ALA 7 3HB ALA 7 3.440 5.741 -9.572 72 H ARG 8 H ARG 8 1.425 7.919 -9.899 73 HA ARG 8 HA ARG 8 1.654 8.055 -12.695 74 HB2 ARG 8 2HB ARG 8 -0.409 7.343 -11.655 75 HB3 ARG 8 3HB ARG 8 -0.595 8.903 -10.865 76 HG2 ARG 8 2HG ARG 8 -0.992 9.988 -12.962 77 HG3 ARG 8 3HG ARG 8 -0.608 8.512 -13.848 78 HD2 ARG 8 2HD ARG 8 -2.784 8.450 -11.814 79 HD3 ARG 8 3HD ARG 8 -3.100 9.205 -13.375 80 HE ARG 8 HE ARG 8 -1.923 6.638 -13.688 81 HH11 ARG 8 1HH1 ARG 8 -4.919 8.247 -12.942 82 HH12 ARG 8 2HH1 ARG 8 -5.911 6.949 -13.521 83 HH21 ARG 8 1HH2 ARG 8 -3.218 4.923 -14.453 84 HH22 ARG 8 2HH2 ARG 8 -4.942 5.059 -14.379 85 H LYS 9 H LYS 9 0.624 10.657 -10.479 86 HA LYS 9 HA LYS 9 0.764 12.728 -12.341 87 HB2 LYS 9 2HB LYS 9 0.948 14.222 -10.324 88 HB3 LYS 9 3HB LYS 9 -0.402 13.096 -10.294 89 HG2 LYS 9 2HG LYS 9 0.835 11.627 -8.801 90 HG3 LYS 9 3HG LYS 9 2.217 12.724 -8.853 91 HD2 LYS 9 2HD LYS 9 0.997 13.142 -6.831 92 HD3 LYS 9 3HD LYS 9 0.751 14.510 -7.920 93 HE2 LYS 9 2HE LYS 9 -1.204 12.274 -8.018 94 HE3 LYS 9 3HE LYS 9 -1.259 13.357 -6.628 95 HZ1 LYS 9 1HZ LYS 9 -2.163 14.961 -7.850 96 HZ2 LYS 9 2HZ LYS 9 -2.437 13.794 -9.043 97 HZ3 LYS 9 3HZ LYS 9 -1.053 14.764 -9.112 98 H ILE 10 H ILE 10 3.228 11.437 -10.164 99 HA ILE 10 HA ILE 10 5.201 13.379 -10.594 100 HB ILE 10 HB ILE 10 5.579 10.443 -9.993 101 HG12 ILE 10 2HG1 ILE 10 5.648 12.735 -8.037 102 HG13 ILE 10 3HG1 ILE 10 4.159 11.872 -8.406 103 HG21 ILE 10 1HG2 ILE 10 7.707 11.530 -8.881 104 HG22 ILE 10 2HG2 ILE 10 7.697 11.068 -10.582 105 HG23 ILE 10 3HG2 ILE 10 7.447 12.753 -10.125 106 HD11 ILE 10 1HD1 ILE 10 6.667 10.654 -7.274 107 HD12 ILE 10 2HD1 ILE 10 5.193 11.028 -6.380 108 HD13 ILE 10 3HD1 ILE 10 5.172 9.793 -7.638 109 H ALA 11 H ALA 11 4.945 10.145 -12.086 110 HA ALA 11 HA ALA 11 6.996 10.443 -13.938 111 HB1 ALA 11 1HB ALA 11 6.198 8.514 -14.974 112 HB2 ALA 11 2HB ALA 11 5.651 8.350 -13.305 113 HB3 ALA 11 3HB ALA 11 4.521 8.869 -14.557 114 H HIS 12 H HIS 12 3.513 11.046 -14.372 115 HA HIS 12 HA HIS 12 3.570 11.844 -17.032 116 HB2 HIS 12 2HB HIS 12 1.627 11.615 -15.129 117 HB3 HIS 12 3HB HIS 12 1.714 13.363 -15.323 118 HD1 HIS 12 HD1 HIS 12 0.320 10.360 -16.842 119 HD2 HIS 12 HD2 HIS 12 1.248 14.217 -18.078 120 HE1 HIS 12 HE1 HIS 12 -0.929 10.694 -18.999 121 H ALA 13 H ALA 13 3.640 13.951 -14.153 122 HA ALA 13 HA ALA 13 3.982 16.380 -15.413 123 HB1 ALA 13 1HB ALA 13 3.561 16.181 -13.028 124 HB2 ALA 13 2HB ALA 13 5.170 15.499 -12.785 125 HB3 ALA 13 3HB ALA 13 4.992 17.169 -13.324 126 H VAL 14 H VAL 14 6.439 13.992 -14.533 127 HA VAL 14 HA VAL 14 8.658 15.584 -15.344 128 HB VAL 14 HB VAL 14 8.451 12.594 -14.967 129 HG11 VAL 14 1HG1 VAL 14 10.721 14.387 -15.668 130 HG12 VAL 14 2HG1 VAL 14 11.024 13.017 -14.598 131 HG13 VAL 14 3HG1 VAL 14 10.367 12.747 -16.212 132 HG21 VAL 14 1HG2 VAL 14 8.485 13.013 -12.788 133 HG22 VAL 14 2HG2 VAL 14 10.011 13.877 -12.976 134 HG23 VAL 14 3HG2 VAL 14 8.483 14.747 -13.111 135 H LYS 15 H LYS 15 6.504 13.379 -16.967 136 HA LYS 15 HA LYS 15 8.157 13.096 -19.308 137 HB2 LYS 15 2HB LYS 15 5.274 12.368 -18.768 138 HB3 LYS 15 3HB LYS 15 6.114 12.007 -20.271 139 HG2 LYS 15 2HG LYS 15 7.380 10.360 -19.334 140 HG3 LYS 15 3HG LYS 15 7.346 11.093 -17.728 141 HD2 LYS 15 2HD LYS 15 5.047 10.399 -17.424 142 HD3 LYS 15 3HD LYS 15 4.992 9.761 -19.069 143 HE2 LYS 15 2HE LYS 15 6.571 8.054 -18.536 144 HE3 LYS 15 3HE LYS 15 6.913 8.779 -16.966 145 HZ1 LYS 15 1HZ LYS 15 5.479 7.073 -16.441 146 HZ2 LYS 15 2HZ LYS 15 4.534 7.274 -17.829 147 HZ3 LYS 15 3HZ LYS 15 4.414 8.383 -16.557 148 H LYS 16 H LYS 16 5.977 15.424 -18.130 149 HA LYS 16 HA LYS 16 5.448 16.498 -20.806 150 HB2 LYS 16 2HB LYS 16 3.537 16.239 -19.252 151 HB3 LYS 16 3HB LYS 16 4.317 17.348 -18.133 152 HG2 LYS 16 2HG LYS 16 4.039 19.176 -19.587 153 HG3 LYS 16 3HG LYS 16 3.630 18.130 -20.949 154 HD2 LYS 16 2HD LYS 16 1.495 17.728 -20.170 155 HD3 LYS 16 3HD LYS 16 1.929 18.075 -18.494 156 HE2 LYS 16 2HE LYS 16 0.532 19.847 -19.358 157 HE3 LYS 16 3HE LYS 16 2.161 20.459 -19.079 158 HZ1 LYS 16 1HZ LYS 16 0.715 20.649 -21.402 159 HZ2 LYS 16 2HZ LYS 16 1.867 19.454 -21.725 160 HZ3 LYS 16 3HZ LYS 16 2.362 20.987 -21.211 161 H TYR 17 H TYR 17 6.612 17.582 -17.619 162 HA TYR 17 HA TYR 17 7.382 20.152 -18.328 163 HB2 TYR 17 2HB TYR 17 8.092 18.252 -16.174 164 HB3 TYR 17 3HB TYR 17 9.246 19.549 -16.461 165 HD1 TYR 17 HD1 TYR 17 5.708 18.841 -15.626 166 HD2 TYR 17 HD2 TYR 17 8.807 21.753 -15.729 167 HE1 TYR 17 HE1 TYR 17 4.304 20.373 -14.309 168 HE2 TYR 17 HE2 TYR 17 7.413 23.293 -14.412 169 HH TYR 17 HH TYR 17 5.522 23.530 -13.252 170 H GLY 18 H GLY 18 9.381 17.199 -18.278 171 HA2 GLY 18 2HA GLY 18 10.742 17.651 -20.640 172 HA3 GLY 18 3HA GLY 18 11.667 18.481 -19.397 Start of MODEL 9 1 H1 ARG 1 H ARG 1 0.031 -1.324 0.054 2 HA ARG 1 HA ARG 1 1.706 0.967 -0.467 3 HB2 ARG 1 2HB ARG 1 1.337 -1.525 -2.136 4 HB3 ARG 1 3HB ARG 1 2.651 -0.362 -2.258 5 HG2 ARG 1 2HG ARG 1 3.019 -1.017 0.264 6 HG3 ARG 1 3HG ARG 1 2.172 -2.483 -0.235 7 HD2 ARG 1 2HD ARG 1 4.130 -1.815 -2.203 8 HD3 ARG 1 3HD ARG 1 4.891 -1.815 -0.613 9 HE ARG 1 HE ARG 1 4.617 -4.089 -0.515 10 HH11 ARG 1 1HH1 ARG 1 2.671 -2.802 -3.099 11 HH12 ARG 1 2HH1 ARG 1 2.255 -4.359 -3.736 12 HH21 ARG 1 1HH2 ARG 1 4.077 -6.144 -1.344 13 HH22 ARG 1 2HH2 ARG 1 3.055 -6.259 -2.736 14 H ALA 2 H ALA 2 -0.001 2.517 -0.841 15 HA ALA 2 HA ALA 2 -1.413 2.198 -3.397 16 HB1 ALA 2 1HB ALA 2 -2.664 4.276 -2.528 17 HB2 ALA 2 2HB ALA 2 -2.993 2.716 -1.773 18 HB3 ALA 2 3HB ALA 2 -1.934 3.876 -0.972 19 H LEU 3 H LEU 3 0.176 2.763 -4.860 20 HA LEU 3 HA LEU 3 0.985 5.590 -4.793 21 HB2 LEU 3 2HB LEU 3 3.163 5.026 -5.650 22 HB3 LEU 3 3HB LEU 3 2.874 4.163 -4.141 23 HG LEU 3 HG LEU 3 2.327 2.758 -6.710 24 HD11 LEU 3 1HD1 LEU 3 4.870 2.012 -6.275 25 HD12 LEU 3 2HD1 LEU 3 4.966 3.709 -5.806 26 HD13 LEU 3 3HD1 LEU 3 4.404 3.271 -7.419 27 HD21 LEU 3 1HD2 LEU 3 1.759 1.635 -4.666 28 HD22 LEU 3 2HD2 LEU 3 3.360 1.948 -3.996 29 HD23 LEU 3 3HD2 LEU 3 3.175 0.850 -5.365 30 H ARG 4 H ARG 4 -1.180 4.101 -6.182 31 HA ARG 4 HA ARG 4 -0.448 3.948 -8.947 32 HB2 ARG 4 2HB ARG 4 -2.941 3.619 -7.363 33 HB3 ARG 4 3HB ARG 4 -3.120 4.015 -9.067 34 HG2 ARG 4 2HG ARG 4 -3.210 1.629 -8.766 35 HG3 ARG 4 3HG ARG 4 -1.740 2.061 -9.642 36 HD2 ARG 4 2HD ARG 4 -0.401 1.768 -7.692 37 HD3 ARG 4 3HD ARG 4 -1.827 1.614 -6.666 38 HE ARG 4 HE ARG 4 -1.869 -0.398 -8.632 39 HH11 ARG 4 1HH1 ARG 4 -0.139 0.527 -5.756 40 HH12 ARG 4 2HH1 ARG 4 0.286 -1.098 -5.332 41 HH21 ARG 4 1HH2 ARG 4 -1.316 -2.542 -8.084 42 HH22 ARG 4 2HH2 ARG 4 -0.383 -2.843 -6.657 43 H ARG 5 H ARG 5 -2.382 6.217 -7.005 44 HA ARG 5 HA ARG 5 -2.702 8.034 -9.216 45 HB2 ARG 5 2HB ARG 5 -3.760 9.508 -7.494 46 HB3 ARG 5 3HB ARG 5 -4.491 7.914 -7.625 47 HG2 ARG 5 2HG ARG 5 -3.510 7.187 -5.610 48 HG3 ARG 5 3HG ARG 5 -2.412 8.568 -5.560 49 HD2 ARG 5 2HD ARG 5 -4.126 8.995 -3.976 50 HD3 ARG 5 3HD ARG 5 -4.440 10.038 -5.362 51 HE ARG 5 HE ARG 5 -5.863 7.612 -5.626 52 HH11 ARG 5 1HH1 ARG 5 -5.856 10.590 -3.824 53 HH12 ARG 5 2HH1 ARG 5 -7.567 10.579 -3.547 54 HH21 ARG 5 1HH2 ARG 5 -8.115 7.585 -5.269 55 HH22 ARG 5 2HH2 ARG 5 -8.851 8.869 -4.369 56 H LEU 6 H LEU 6 -0.550 7.668 -6.500 57 HA LEU 6 HA LEU 6 0.527 10.306 -6.570 58 HB2 LEU 6 2HB LEU 6 0.654 8.893 -4.583 59 HB3 LEU 6 3HB LEU 6 1.681 7.755 -5.452 60 HG LEU 6 HG LEU 6 3.475 9.355 -5.535 61 HD11 LEU 6 1HD1 LEU 6 3.122 11.528 -4.197 62 HD12 LEU 6 2HD1 LEU 6 1.405 11.238 -4.472 63 HD13 LEU 6 3HD1 LEU 6 2.496 11.437 -5.843 64 HD21 LEU 6 1HD2 LEU 6 4.116 8.800 -3.480 65 HD22 LEU 6 2HD2 LEU 6 2.482 8.191 -3.209 66 HD23 LEU 6 3HD2 LEU 6 2.896 9.844 -2.750 67 H ALA 7 H ALA 7 2.045 7.195 -7.444 68 HA ALA 7 HA ALA 7 4.253 8.247 -8.759 69 HB1 ALA 7 1HB ALA 7 4.648 6.094 -9.599 70 HB2 ALA 7 2HB ALA 7 3.793 5.832 -8.078 71 HB3 ALA 7 3HB ALA 7 2.932 5.688 -9.610 72 H ARG 8 H ARG 8 0.966 7.946 -9.822 73 HA ARG 8 HA ARG 8 1.363 8.052 -12.605 74 HB2 ARG 8 2HB ARG 8 -0.787 7.428 -11.767 75 HB3 ARG 8 3HB ARG 8 -0.940 8.931 -10.867 76 HG2 ARG 8 2HG ARG 8 -2.344 8.981 -12.830 77 HG3 ARG 8 3HG ARG 8 -1.050 10.172 -12.979 78 HD2 ARG 8 2HD ARG 8 -1.427 8.930 -15.069 79 HD3 ARG 8 3HD ARG 8 0.196 8.685 -14.425 80 HE ARG 8 HE ARG 8 -0.277 6.464 -14.240 81 HH11 ARG 8 1HH1 ARG 8 -3.275 8.228 -14.386 82 HH12 ARG 8 2HH1 ARG 8 -4.261 6.805 -14.432 83 HH21 ARG 8 1HH2 ARG 8 -1.565 4.583 -14.300 84 HH22 ARG 8 2HH2 ARG 8 -3.287 4.731 -14.382 85 H LYS 9 H LYS 9 0.298 10.703 -10.465 86 HA LYS 9 HA LYS 9 0.624 12.764 -12.300 87 HB2 LYS 9 2HB LYS 9 0.776 14.253 -10.287 88 HB3 LYS 9 3HB LYS 9 -0.602 13.159 -10.282 89 HG2 LYS 9 2HG LYS 9 0.527 11.688 -8.731 90 HG3 LYS 9 3HG LYS 9 1.972 12.699 -8.788 91 HD2 LYS 9 2HD LYS 9 -0.702 13.778 -7.938 92 HD3 LYS 9 3HD LYS 9 0.405 13.011 -6.797 93 HE2 LYS 9 2HE LYS 9 2.139 14.682 -7.812 94 HE3 LYS 9 3HE LYS 9 0.701 15.573 -8.305 95 HZ1 LYS 9 1HZ LYS 9 1.026 16.475 -6.266 96 HZ2 LYS 9 2HZ LYS 9 1.762 15.093 -5.627 97 HZ3 LYS 9 3HZ LYS 9 0.080 15.154 -5.793 98 H ILE 10 H ILE 10 2.951 11.308 -10.090 99 HA ILE 10 HA ILE 10 5.024 13.179 -10.419 100 HB ILE 10 HB ILE 10 5.242 10.227 -9.818 101 HG12 ILE 10 2HG1 ILE 10 5.381 12.488 -7.836 102 HG13 ILE 10 3HG1 ILE 10 3.844 11.757 -8.281 103 HG21 ILE 10 1HG2 ILE 10 7.382 11.196 -8.634 104 HG22 ILE 10 2HG2 ILE 10 7.405 10.760 -10.342 105 HG23 ILE 10 3HG2 ILE 10 7.221 12.448 -9.865 106 HD11 ILE 10 1HD1 ILE 10 6.153 10.148 -7.244 107 HD12 ILE 10 2HD1 ILE 10 4.947 10.886 -6.189 108 HD13 ILE 10 3HD1 ILE 10 4.459 9.677 -7.376 109 H ALA 11 H ALA 11 4.728 9.944 -11.903 110 HA ALA 11 HA ALA 11 6.834 10.175 -13.694 111 HB1 ALA 11 1HB ALA 11 5.999 8.272 -14.764 112 HB2 ALA 11 2HB ALA 11 5.422 8.123 -13.103 113 HB3 ALA 11 3HB ALA 11 4.327 8.674 -14.371 114 H HIS 12 H HIS 12 3.388 10.886 -14.244 115 HA HIS 12 HA HIS 12 3.560 11.671 -16.903 116 HB2 HIS 12 2HB HIS 12 1.548 11.509 -15.062 117 HB3 HIS 12 3HB HIS 12 1.690 13.252 -15.269 118 HD1 HIS 12 HD1 HIS 12 -0.841 11.839 -16.209 119 HD2 HIS 12 HD2 HIS 12 2.453 12.517 -18.648 120 HE1 HIS 12 HE1 HIS 12 -1.725 11.786 -18.562 121 H ALA 13 H ALA 13 3.587 13.786 -14.029 122 HA ALA 13 HA ALA 13 4.045 16.199 -15.283 123 HB1 ALA 13 1HB ALA 13 3.530 16.034 -12.919 124 HB2 ALA 13 2HB ALA 13 5.098 15.288 -12.608 125 HB3 ALA 13 3HB ALA 13 5.011 16.962 -13.157 126 H VAL 14 H VAL 14 6.394 13.739 -14.312 127 HA VAL 14 HA VAL 14 8.690 15.263 -15.035 128 HB VAL 14 HB VAL 14 8.375 12.280 -14.672 129 HG11 VAL 14 1HG1 VAL 14 10.727 13.998 -15.287 130 HG12 VAL 14 2HG1 VAL 14 10.945 12.615 -14.213 131 HG13 VAL 14 3HG1 VAL 14 10.337 12.374 -15.852 132 HG21 VAL 14 1HG2 VAL 14 8.330 12.709 -12.495 133 HG22 VAL 14 2HG2 VAL 14 9.904 13.493 -12.623 134 HG23 VAL 14 3HG2 VAL 14 8.429 14.440 -12.815 135 H LYS 15 H LYS 15 6.523 13.145 -16.748 136 HA LYS 15 HA LYS 15 8.255 12.807 -19.025 137 HB2 LYS 15 2HB LYS 15 5.338 12.164 -18.577 138 HB3 LYS 15 3HB LYS 15 6.197 11.802 -20.068 139 HG2 LYS 15 2HG LYS 15 7.433 10.125 -19.114 140 HG3 LYS 15 3HG LYS 15 7.310 10.809 -17.491 141 HD2 LYS 15 2HD LYS 15 5.931 8.926 -17.412 142 HD3 LYS 15 3HD LYS 15 4.805 10.261 -17.671 143 HE2 LYS 15 2HE LYS 15 5.206 9.687 -20.200 144 HE3 LYS 15 3HE LYS 15 5.688 8.121 -19.552 145 HZ1 LYS 15 1HZ LYS 15 3.517 8.066 -18.379 146 HZ2 LYS 15 2HZ LYS 15 3.382 8.035 -20.065 147 HZ3 LYS 15 3HZ LYS 15 3.064 9.464 -19.217 148 H LYS 16 H LYS 16 6.102 15.199 -17.922 149 HA LYS 16 HA LYS 16 5.715 16.297 -20.613 150 HB2 LYS 16 2HB LYS 16 3.732 16.099 -19.152 151 HB3 LYS 16 3HB LYS 16 4.503 17.159 -17.979 152 HG2 LYS 16 2HG LYS 16 4.381 19.017 -19.439 153 HG3 LYS 16 3HG LYS 16 3.935 17.997 -20.809 154 HD2 LYS 16 2HD LYS 16 1.771 17.708 -20.059 155 HD3 LYS 16 3HD LYS 16 2.200 18.032 -18.377 156 HE2 LYS 16 2HE LYS 16 0.894 19.863 -19.324 157 HE3 LYS 16 3HE LYS 16 2.523 20.392 -18.909 158 HZ1 LYS 16 1HZ LYS 16 1.560 21.096 -21.152 159 HZ2 LYS 16 2HZ LYS 16 1.866 19.508 -21.647 160 HZ3 LYS 16 3HZ LYS 16 3.141 20.492 -21.129 161 H TYR 17 H TYR 17 6.781 17.338 -17.378 162 HA TYR 17 HA TYR 17 7.655 19.885 -18.034 163 HB2 TYR 17 2HB TYR 17 8.242 17.943 -15.881 164 HB3 TYR 17 3HB TYR 17 9.442 19.209 -16.118 165 HD1 TYR 17 HD1 TYR 17 5.847 18.610 -15.433 166 HD2 TYR 17 HD2 TYR 17 9.056 21.402 -15.342 167 HE1 TYR 17 HE1 TYR 17 4.447 20.167 -14.143 168 HE2 TYR 17 HE2 TYR 17 7.666 22.967 -14.051 169 HH TYR 17 HH TYR 17 4.642 22.042 -12.684 170 H GLY 18 H GLY 18 9.659 16.936 -17.817 171 HA2 GLY 18 2HA GLY 18 11.210 16.387 -19.591 172 HA3 GLY 18 3HA GLY 18 11.411 18.109 -19.879 Start of MODEL 10 1 H1 ARG 1 H ARG 1 0.564 0.100 0.602 2 HA ARG 1 HA ARG 1 1.719 -0.206 -1.948 3 HB2 ARG 1 2HB ARG 1 -0.677 -1.637 -0.783 4 HB3 ARG 1 3HB ARG 1 0.272 -2.173 -2.163 5 HG2 ARG 1 2HG ARG 1 1.469 -1.772 0.562 6 HG3 ARG 1 3HG ARG 1 0.746 -3.298 0.049 7 HD2 ARG 1 2HD ARG 1 2.370 -3.665 -1.573 8 HD3 ARG 1 3HD ARG 1 2.837 -1.966 -1.628 9 HE ARG 1 HE ARG 1 3.514 -2.683 0.879 10 HH11 ARG 1 1HH1 ARG 1 4.166 -4.089 -2.239 11 HH12 ARG 1 2HH1 ARG 1 5.690 -4.761 -1.762 12 HH21 ARG 1 1HH2 ARG 1 5.519 -3.563 1.518 13 HH22 ARG 1 2HH2 ARG 1 6.458 -4.462 0.375 14 H ALA 2 H ALA 2 0.298 2.278 -1.760 15 HA ALA 2 HA ALA 2 -1.529 1.920 -4.031 16 HB1 ALA 2 1HB ALA 2 -2.778 3.950 -2.851 17 HB2 ALA 2 2HB ALA 2 -3.181 2.267 -2.510 18 HB3 ALA 2 3HB ALA 2 -2.134 3.163 -1.410 19 H LEU 3 H LEU 3 0.409 2.597 -5.198 20 HA LEU 3 HA LEU 3 0.774 5.519 -5.099 21 HB2 LEU 3 2HB LEU 3 3.067 5.141 -5.942 22 HB3 LEU 3 3HB LEU 3 2.789 4.485 -4.330 23 HG LEU 3 HG LEU 3 2.544 2.683 -6.697 24 HD11 LEU 3 1HD1 LEU 3 4.751 2.519 -7.110 25 HD12 LEU 3 2HD1 LEU 3 5.199 2.835 -5.434 26 HD13 LEU 3 3HD1 LEU 3 4.780 4.175 -6.502 27 HD21 LEU 3 1HD2 LEU 3 3.897 1.485 -4.573 28 HD22 LEU 3 2HD2 LEU 3 2.209 1.253 -5.030 29 HD23 LEU 3 3HD2 LEU 3 2.638 2.468 -3.824 30 H ARG 4 H ARG 4 -1.084 3.813 -6.674 31 HA ARG 4 HA ARG 4 -0.150 3.760 -9.369 32 HB2 ARG 4 2HB ARG 4 -2.776 3.332 -8.011 33 HB3 ARG 4 3HB ARG 4 -2.761 3.601 -9.749 34 HG2 ARG 4 2HG ARG 4 -2.711 1.285 -9.520 35 HG3 ARG 4 3HG ARG 4 -1.033 1.724 -9.847 36 HD2 ARG 4 2HD ARG 4 -0.349 1.242 -7.715 37 HD3 ARG 4 3HD ARG 4 -1.930 1.585 -7.015 38 HE ARG 4 HE ARG 4 -2.369 -0.636 -8.502 39 HH11 ARG 4 1HH1 ARG 4 -0.052 0.191 -6.039 40 HH12 ARG 4 2HH1 ARG 4 0.103 -1.432 -5.456 41 HH21 ARG 4 1HH2 ARG 4 -2.173 -2.778 -7.743 42 HH22 ARG 4 2HH2 ARG 4 -1.103 -3.121 -6.426 43 H ARG 5 H ARG 5 -2.668 5.753 -7.806 44 HA ARG 5 HA ARG 5 -2.836 7.581 -9.971 45 HB2 ARG 5 2HB ARG 5 -4.166 8.964 -8.395 46 HB3 ARG 5 3HB ARG 5 -4.717 7.297 -8.484 47 HG2 ARG 5 2HG ARG 5 -4.748 7.529 -6.239 48 HG3 ARG 5 3HG ARG 5 -3.054 7.066 -6.415 49 HD2 ARG 5 2HD ARG 5 -2.786 9.695 -6.734 50 HD3 ARG 5 3HD ARG 5 -4.253 9.698 -5.757 51 HE ARG 5 HE ARG 5 -2.229 8.030 -4.638 52 HH11 ARG 5 1HH1 ARG 5 -3.270 11.336 -4.967 53 HH12 ARG 5 2HH1 ARG 5 -2.495 11.862 -3.510 54 HH21 ARG 5 1HH2 ARG 5 -1.203 8.711 -2.718 55 HH22 ARG 5 2HH2 ARG 5 -1.318 10.369 -2.232 56 H LEU 6 H LEU 6 -0.917 7.444 -7.055 57 HA LEU 6 HA LEU 6 -0.044 10.148 -7.087 58 HB2 LEU 6 2HB LEU 6 0.072 8.827 -5.069 59 HB3 LEU 6 3HB LEU 6 1.165 7.682 -5.845 60 HG LEU 6 HG LEU 6 2.927 9.326 -5.894 61 HD11 LEU 6 1HD1 LEU 6 2.482 11.521 -4.646 62 HD12 LEU 6 2HD1 LEU 6 0.776 11.183 -4.942 63 HD13 LEU 6 3HD1 LEU 6 1.886 11.371 -6.299 64 HD21 LEU 6 1HD2 LEU 6 3.351 8.501 -3.871 65 HD22 LEU 6 2HD2 LEU 6 1.638 8.446 -3.454 66 HD23 LEU 6 3HD2 LEU 6 2.557 9.933 -3.215 67 H ALA 7 H ALA 7 1.832 7.190 -7.776 68 HA ALA 7 HA ALA 7 4.009 8.441 -8.961 69 HB1 ALA 7 1HB ALA 7 4.708 6.331 -9.662 70 HB2 ALA 7 2HB ALA 7 3.712 5.992 -8.245 71 HB3 ALA 7 3HB ALA 7 3.056 5.746 -9.864 72 H ARG 8 H ARG 8 0.860 7.773 -10.245 73 HA ARG 8 HA ARG 8 1.406 7.809 -12.989 74 HB2 ARG 8 2HB ARG 8 -0.756 7.116 -12.237 75 HB3 ARG 8 3HB ARG 8 -1.036 8.653 -11.430 76 HG2 ARG 8 2HG ARG 8 -1.062 9.771 -13.624 77 HG3 ARG 8 3HG ARG 8 -0.863 8.199 -14.401 78 HD2 ARG 8 2HD ARG 8 -3.133 8.374 -14.497 79 HD3 ARG 8 3HD ARG 8 -2.972 7.608 -12.917 80 HE ARG 8 HE ARG 8 -2.911 10.305 -12.422 81 HH11 ARG 8 1HH1 ARG 8 -5.128 8.087 -13.933 82 HH12 ARG 8 2HH1 ARG 8 -6.538 9.000 -13.505 83 HH21 ARG 8 1HH2 ARG 8 -4.759 11.516 -11.852 84 HH22 ARG 8 2HH2 ARG 8 -6.326 10.950 -12.322 85 H LYS 9 H LYS 9 0.116 10.503 -11.032 86 HA LYS 9 HA LYS 9 0.475 12.479 -12.976 87 HB2 LYS 9 2HB LYS 9 0.387 14.072 -11.016 88 HB3 LYS 9 3HB LYS 9 -0.964 12.954 -11.146 89 HG2 LYS 9 2HG LYS 9 -0.048 11.566 -9.407 90 HG3 LYS 9 3HG LYS 9 1.412 12.557 -9.338 91 HD2 LYS 9 2HD LYS 9 0.369 14.258 -8.227 92 HD3 LYS 9 3HD LYS 9 -1.203 13.916 -8.955 93 HE2 LYS 9 2HE LYS 9 -1.160 11.768 -7.552 94 HE3 LYS 9 3HE LYS 9 0.146 12.539 -6.654 95 HZ1 LYS 9 1HZ LYS 9 -1.578 14.490 -6.555 96 HZ2 LYS 9 2HZ LYS 9 -1.643 13.215 -5.445 97 HZ3 LYS 9 3HZ LYS 9 -2.695 13.237 -6.770 98 H ILE 10 H ILE 10 2.637 11.303 -10.451 99 HA ILE 10 HA ILE 10 4.630 13.257 -10.665 100 HB ILE 10 HB ILE 10 4.958 10.338 -9.960 101 HG12 ILE 10 2HG1 ILE 10 4.750 12.663 -8.054 102 HG13 ILE 10 3HG1 ILE 10 3.327 11.784 -8.602 103 HG21 ILE 10 1HG2 ILE 10 6.905 11.502 -8.596 104 HG22 ILE 10 2HG2 ILE 10 7.129 10.962 -10.259 105 HG23 ILE 10 3HG2 ILE 10 6.805 12.662 -9.920 106 HD11 ILE 10 1HD1 ILE 10 5.646 10.369 -7.346 107 HD12 ILE 10 2HD1 ILE 10 4.372 11.111 -6.377 108 HD13 ILE 10 3HD1 ILE 10 3.977 9.828 -7.521 109 H ALA 11 H ALA 11 4.695 9.966 -12.051 110 HA ALA 11 HA ALA 11 6.935 10.272 -13.644 111 HB1 ALA 11 1HB ALA 11 6.309 8.305 -14.735 112 HB2 ALA 11 2HB ALA 11 5.565 8.164 -13.141 113 HB3 ALA 11 3HB ALA 11 4.587 8.631 -14.533 114 H HIS 12 H HIS 12 3.530 10.776 -14.563 115 HA HIS 12 HA HIS 12 3.942 11.525 -17.207 116 HB2 HIS 12 2HB HIS 12 1.755 11.271 -15.585 117 HB3 HIS 12 3HB HIS 12 1.814 13.015 -15.825 118 HD1 HIS 12 HD1 HIS 12 0.448 13.736 -17.740 119 HD2 HIS 12 HD2 HIS 12 2.020 9.936 -18.327 120 HE1 HIS 12 HE1 HIS 12 -0.415 12.990 -19.981 121 H ALA 13 H ALA 13 3.558 13.671 -14.383 122 HA ALA 13 HA ALA 13 3.984 16.096 -15.627 123 HB1 ALA 13 1HB ALA 13 3.265 15.886 -13.305 124 HB2 ALA 13 2HB ALA 13 4.867 15.301 -12.854 125 HB3 ALA 13 3HB ALA 13 4.664 16.951 -13.443 126 H VAL 14 H VAL 14 6.377 13.796 -14.405 127 HA VAL 14 HA VAL 14 8.633 15.452 -14.938 128 HB VAL 14 HB VAL 14 8.470 12.460 -14.554 129 HG11 VAL 14 1HG1 VAL 14 10.757 14.317 -14.978 130 HG12 VAL 14 2HG1 VAL 14 10.960 12.966 -13.860 131 HG13 VAL 14 3HG1 VAL 14 10.526 12.662 -15.543 132 HG21 VAL 14 1HG2 VAL 14 8.120 12.952 -12.416 133 HG22 VAL 14 2HG2 VAL 14 9.714 13.706 -12.375 134 HG23 VAL 14 3HG2 VAL 14 8.288 14.679 -12.736 135 H LYS 15 H LYS 15 6.775 13.171 -16.802 136 HA LYS 15 HA LYS 15 8.727 12.916 -18.903 137 HB2 LYS 15 2HB LYS 15 5.819 12.111 -18.735 138 HB3 LYS 15 3HB LYS 15 6.855 11.764 -20.113 139 HG2 LYS 15 2HG LYS 15 8.052 10.172 -18.993 140 HG3 LYS 15 3HG LYS 15 7.752 10.900 -17.413 141 HD2 LYS 15 2HD LYS 15 5.370 10.187 -17.617 142 HD3 LYS 15 3HD LYS 15 5.804 9.328 -19.097 143 HE2 LYS 15 2HE LYS 15 7.186 8.830 -16.473 144 HE3 LYS 15 3HE LYS 15 5.727 7.964 -16.951 145 HZ1 LYS 15 1HZ LYS 15 6.816 6.853 -18.607 146 HZ2 LYS 15 2HZ LYS 15 8.070 6.998 -17.481 147 HZ3 LYS 15 3HZ LYS 15 7.999 8.046 -18.807 148 H LYS 16 H LYS 16 6.355 15.194 -18.047 149 HA LYS 16 HA LYS 16 6.157 16.232 -20.782 150 HB2 LYS 16 2HB LYS 16 4.046 15.953 -19.576 151 HB3 LYS 16 3HB LYS 16 4.636 16.984 -18.279 152 HG2 LYS 16 2HG LYS 16 4.745 18.871 -19.828 153 HG3 LYS 16 3HG LYS 16 4.146 17.836 -21.126 154 HD2 LYS 16 2HD LYS 16 2.169 18.755 -20.470 155 HD3 LYS 16 3HD LYS 16 2.217 17.393 -19.348 156 HE2 LYS 16 2HE LYS 16 2.977 18.765 -17.574 157 HE3 LYS 16 3HE LYS 16 3.330 20.104 -18.666 158 HZ1 LYS 16 1HZ LYS 16 1.328 20.858 -18.113 159 HZ2 LYS 16 2HZ LYS 16 0.867 19.399 -17.392 160 HZ3 LYS 16 3HZ LYS 16 0.681 19.614 -19.060 161 H TYR 17 H TYR 17 6.844 17.371 -17.479 162 HA TYR 17 HA TYR 17 7.632 19.959 -18.108 163 HB2 TYR 17 2HB TYR 17 8.095 18.099 -15.851 164 HB3 TYR 17 3HB TYR 17 9.230 19.437 -15.992 165 HD1 TYR 17 HD1 TYR 17 5.631 18.611 -15.671 166 HD2 TYR 17 HD2 TYR 17 8.620 21.619 -15.334 167 HE1 TYR 17 HE1 TYR 17 4.002 20.098 -14.582 168 HE2 TYR 17 HE2 TYR 17 7.001 23.115 -14.243 169 HH TYR 17 HH TYR 17 4.416 23.342 -14.245 170 H GLY 18 H GLY 18 9.695 17.074 -17.719 171 HA2 GLY 18 2HA GLY 18 11.447 16.636 -19.336 172 HA3 GLY 18 3HA GLY 18 11.652 18.373 -19.504 Start of MODEL 11 1 H1 ARG 1 H ARG 1 0.484 0.790 0.649 2 HA ARG 1 HA ARG 1 2.821 0.740 -1.144 3 HB2 ARG 1 2HB ARG 1 2.251 -1.455 -1.893 4 HB3 ARG 1 3HB ARG 1 2.282 -1.497 -0.136 5 HG2 ARG 1 2HG ARG 1 -0.283 -1.035 -0.383 6 HG3 ARG 1 3HG ARG 1 -0.030 -1.702 -1.997 7 HD2 ARG 1 2HD ARG 1 -0.654 -3.518 -0.614 8 HD3 ARG 1 3HD ARG 1 1.082 -3.669 -0.882 9 HE ARG 1 HE ARG 1 0.719 -2.226 1.469 10 HH11 ARG 1 1HH1 ARG 1 0.086 -5.421 0.240 11 HH12 ARG 1 2HH1 ARG 1 0.218 -6.185 1.789 12 HH21 ARG 1 1HH2 ARG 1 0.895 -3.220 3.515 13 HH22 ARG 1 2HH2 ARG 1 0.677 -4.932 3.652 14 H ALA 2 H ALA 2 0.619 2.654 -0.974 15 HA ALA 2 HA ALA 2 -0.828 2.115 -3.473 16 HB1 ALA 2 1HB ALA 2 -2.044 4.309 -2.606 17 HB2 ALA 2 2HB ALA 2 -2.476 2.702 -2.018 18 HB3 ALA 2 3HB ALA 2 -1.417 3.736 -1.060 19 H LEU 3 H LEU 3 0.856 2.624 -4.911 20 HA LEU 3 HA LEU 3 1.576 5.481 -4.994 21 HB2 LEU 3 2HB LEU 3 3.671 4.924 -5.945 22 HB3 LEU 3 3HB LEU 3 3.454 3.897 -4.529 23 HG LEU 3 HG LEU 3 2.503 2.498 -6.828 24 HD11 LEU 3 1HD1 LEU 3 3.811 3.535 -8.378 25 HD12 LEU 3 2HD1 LEU 3 4.967 2.348 -7.773 26 HD13 LEU 3 3HD1 LEU 3 5.030 4.014 -7.197 27 HD21 LEU 3 1HD2 LEU 3 5.079 1.760 -5.602 28 HD22 LEU 3 2HD2 LEU 3 3.625 0.796 -5.864 29 HD23 LEU 3 3HD2 LEU 3 3.714 1.905 -4.495 30 H ARG 4 H ARG 4 -0.738 4.036 -6.181 31 HA ARG 4 HA ARG 4 -0.275 3.873 -9.000 32 HB2 ARG 4 2HB ARG 4 -2.612 3.615 -7.186 33 HB3 ARG 4 3HB ARG 4 -2.948 4.036 -8.860 34 HG2 ARG 4 2HG ARG 4 -3.089 1.655 -8.587 35 HG3 ARG 4 3HG ARG 4 -1.684 2.046 -9.581 36 HD2 ARG 4 2HD ARG 4 -0.210 1.735 -7.699 37 HD3 ARG 4 3HD ARG 4 -1.583 1.496 -6.619 38 HE ARG 4 HE ARG 4 -1.761 -0.667 -7.367 39 HH11 ARG 4 1HH1 ARG 4 0.370 1.118 -9.462 40 HH12 ARG 4 2HH1 ARG 4 0.907 -0.284 -10.327 41 HH21 ARG 4 1HH2 ARG 4 -1.062 -2.521 -8.498 42 HH22 ARG 4 2HH2 ARG 4 0.091 -2.353 -9.778 43 H ARG 5 H ARG 5 -2.142 6.144 -6.977 44 HA ARG 5 HA ARG 5 -2.479 7.993 -9.147 45 HB2 ARG 5 2HB ARG 5 -3.461 9.466 -7.375 46 HB3 ARG 5 3HB ARG 5 -4.219 7.884 -7.504 47 HG2 ARG 5 2HG ARG 5 -3.661 7.321 -5.419 48 HG3 ARG 5 3HG ARG 5 -2.025 7.964 -5.585 49 HD2 ARG 5 2HD ARG 5 -2.594 9.993 -4.751 50 HD3 ARG 5 3HD ARG 5 -4.210 9.948 -5.455 51 HE ARG 5 HE ARG 5 -3.435 9.066 -2.832 52 HH11 ARG 5 1HH1 ARG 5 -5.764 8.718 -5.396 53 HH12 ARG 5 2HH1 ARG 5 -7.024 8.148 -4.351 54 HH21 ARG 5 1HH2 ARG 5 -5.085 8.318 -1.446 55 HH22 ARG 5 2HH2 ARG 5 -6.637 7.922 -2.105 56 H LEU 6 H LEU 6 -0.241 7.578 -6.512 57 HA LEU 6 HA LEU 6 0.855 10.201 -6.554 58 HB2 LEU 6 2HB LEU 6 1.082 8.700 -4.637 59 HB3 LEU 6 3HB LEU 6 2.066 7.606 -5.608 60 HG LEU 6 HG LEU 6 3.848 9.219 -5.713 61 HD11 LEU 6 1HD1 LEU 6 3.632 11.347 -4.379 62 HD12 LEU 6 2HD1 LEU 6 1.896 11.044 -4.334 63 HD13 LEU 6 3HD1 LEU 6 2.709 11.284 -5.880 64 HD21 LEU 6 1HD2 LEU 6 4.630 8.808 -3.639 65 HD22 LEU 6 2HD2 LEU 6 3.170 7.828 -3.510 66 HD23 LEU 6 3HD2 LEU 6 3.196 9.464 -2.850 67 H ALA 7 H ALA 7 2.299 7.123 -7.647 68 HA ALA 7 HA ALA 7 4.441 8.226 -9.032 69 HB1 ALA 7 1HB ALA 7 4.678 6.098 -10.116 70 HB2 ALA 7 2HB ALA 7 4.175 5.826 -8.447 71 HB3 ALA 7 3HB ALA 7 3.003 5.678 -9.757 72 H ARG 8 H ARG 8 1.100 7.969 -9.926 73 HA ARG 8 HA ARG 8 1.342 8.188 -12.719 74 HB2 ARG 8 2HB ARG 8 -0.752 7.547 -11.648 75 HB3 ARG 8 3HB ARG 8 -0.874 9.129 -10.891 76 HG2 ARG 8 2HG ARG 8 -2.342 9.201 -12.710 77 HG3 ARG 8 3HG ARG 8 -0.910 10.085 -13.242 78 HD2 ARG 8 2HD ARG 8 -1.485 8.699 -15.050 79 HD3 ARG 8 3HD ARG 8 -0.126 7.896 -14.264 80 HE ARG 8 HE ARG 8 -2.250 6.729 -13.093 81 HH11 ARG 8 1HH1 ARG 8 -1.419 7.309 -16.424 82 HH12 ARG 8 2HH1 ARG 8 -2.250 5.907 -17.011 83 HH21 ARG 8 1HH2 ARG 8 -3.348 4.880 -13.854 84 HH22 ARG 8 2HH2 ARG 8 -3.348 4.527 -15.549 85 H LYS 9 H LYS 9 0.418 10.758 -10.420 86 HA LYS 9 HA LYS 9 0.659 12.888 -12.190 87 HB2 LYS 9 2HB LYS 9 0.947 14.290 -10.120 88 HB3 LYS 9 3HB LYS 9 -0.458 13.232 -10.111 89 HG2 LYS 9 2HG LYS 9 0.705 11.654 -8.686 90 HG3 LYS 9 3HG LYS 9 2.160 12.651 -8.740 91 HD2 LYS 9 2HD LYS 9 -0.477 13.688 -7.728 92 HD3 LYS 9 3HD LYS 9 0.694 12.886 -6.678 93 HE2 LYS 9 2HE LYS 9 1.299 15.308 -8.370 94 HE3 LYS 9 3HE LYS 9 0.845 15.374 -6.668 95 HZ1 LYS 9 1HZ LYS 9 3.381 14.891 -7.798 96 HZ2 LYS 9 2HZ LYS 9 2.922 13.544 -6.884 97 HZ3 LYS 9 3HZ LYS 9 2.967 15.076 -6.168 98 H ILE 10 H ILE 10 3.088 11.343 -10.157 99 HA ILE 10 HA ILE 10 5.152 13.216 -10.540 100 HB ILE 10 HB ILE 10 5.383 10.250 -10.020 101 HG12 ILE 10 2HG1 ILE 10 5.624 12.467 -7.997 102 HG13 ILE 10 3HG1 ILE 10 4.069 11.737 -8.378 103 HG21 ILE 10 1HG2 ILE 10 7.585 11.171 -8.924 104 HG22 ILE 10 2HG2 ILE 10 7.519 10.796 -10.645 105 HG23 ILE 10 3HG2 ILE 10 7.369 12.466 -10.101 106 HD11 ILE 10 1HD1 ILE 10 6.467 10.205 -7.408 107 HD12 ILE 10 2HD1 ILE 10 5.164 10.791 -6.374 108 HD13 ILE 10 3HD1 ILE 10 4.827 9.596 -7.626 109 H ALA 11 H ALA 11 4.705 10.040 -12.108 110 HA ALA 11 HA ALA 11 6.740 10.287 -13.989 111 HB1 ALA 11 1HB ALA 11 5.829 8.424 -15.061 112 HB2 ALA 11 2HB ALA 11 5.324 8.239 -13.381 113 HB3 ALA 11 3HB ALA 11 4.182 8.839 -14.585 114 H HIS 12 H HIS 12 3.284 11.073 -14.330 115 HA HIS 12 HA HIS 12 3.326 11.923 -16.977 116 HB2 HIS 12 2HB HIS 12 1.409 11.736 -15.047 117 HB3 HIS 12 3HB HIS 12 1.578 13.484 -15.188 118 HD1 HIS 12 HD1 HIS 12 1.007 10.501 -17.480 119 HD2 HIS 12 HD2 HIS 12 0.103 14.546 -17.193 120 HE1 HIS 12 HE1 HIS 12 -0.518 10.989 -19.420 121 H ALA 13 H ALA 13 3.541 13.962 -14.056 122 HA ALA 13 HA ALA 13 3.978 16.398 -15.273 123 HB1 ALA 13 1HB ALA 13 3.583 16.178 -12.888 124 HB2 ALA 13 2HB ALA 13 5.154 15.404 -12.680 125 HB3 ALA 13 3HB ALA 13 5.063 17.092 -13.183 126 H VAL 14 H VAL 14 6.328 13.874 -14.489 127 HA VAL 14 HA VAL 14 8.610 15.378 -15.297 128 HB VAL 14 HB VAL 14 8.268 12.392 -14.986 129 HG11 VAL 14 1HG1 VAL 14 10.610 14.096 -15.673 130 HG12 VAL 14 2HG1 VAL 14 10.862 12.688 -14.639 131 HG13 VAL 14 3HG1 VAL 14 10.174 12.488 -16.251 132 HG21 VAL 14 1HG2 VAL 14 8.378 12.736 -12.796 133 HG22 VAL 14 2HG2 VAL 14 9.909 13.591 -12.991 134 HG23 VAL 14 3HG2 VAL 14 8.387 14.478 -13.075 135 H LYS 15 H LYS 15 6.343 13.288 -16.929 136 HA LYS 15 HA LYS 15 7.947 13.015 -19.307 137 HB2 LYS 15 2HB LYS 15 5.059 12.338 -18.726 138 HB3 LYS 15 3HB LYS 15 5.862 11.992 -20.253 139 HG2 LYS 15 2HG LYS 15 7.101 10.292 -19.379 140 HG3 LYS 15 3HG LYS 15 7.129 10.996 -17.760 141 HD2 LYS 15 2HD LYS 15 5.713 9.202 -17.456 142 HD3 LYS 15 3HD LYS 15 4.565 10.496 -17.811 143 HE2 LYS 15 2HE LYS 15 4.042 9.652 -19.865 144 HE3 LYS 15 3HE LYS 15 5.637 8.939 -20.099 145 HZ1 LYS 15 1HZ LYS 15 4.245 7.126 -19.791 146 HZ2 LYS 15 2HZ LYS 15 3.351 7.874 -18.565 147 HZ3 LYS 15 3HZ LYS 15 4.927 7.339 -18.257 148 H LYS 16 H LYS 16 5.892 15.385 -18.027 149 HA LYS 16 HA LYS 16 5.299 16.518 -20.666 150 HB2 LYS 16 2HB LYS 16 3.435 16.297 -19.052 151 HB3 LYS 16 3HB LYS 16 4.293 17.356 -17.940 152 HG2 LYS 16 2HG LYS 16 4.069 19.213 -19.403 153 HG3 LYS 16 3HG LYS 16 3.475 18.188 -20.712 154 HD2 LYS 16 2HD LYS 16 1.385 18.014 -19.810 155 HD3 LYS 16 3HD LYS 16 1.971 18.161 -18.151 156 HE2 LYS 16 2HE LYS 16 2.457 20.576 -18.647 157 HE3 LYS 16 3HE LYS 16 1.613 20.360 -20.180 158 HZ1 LYS 16 1HZ LYS 16 -0.203 20.906 -19.041 159 HZ2 LYS 16 2HZ LYS 16 0.543 20.686 -17.540 160 HZ3 LYS 16 3HZ LYS 16 -0.128 19.363 -18.352 161 H TYR 17 H TYR 17 6.672 17.457 -17.522 162 HA TYR 17 HA TYR 17 7.500 20.028 -18.255 163 HB2 TYR 17 2HB TYR 17 8.137 18.124 -16.081 164 HB3 TYR 17 3HB TYR 17 9.345 19.366 -16.390 165 HD1 TYR 17 HD1 TYR 17 5.828 18.780 -15.433 166 HD2 TYR 17 HD2 TYR 17 8.961 21.637 -15.778 167 HE1 TYR 17 HE1 TYR 17 4.499 20.386 -14.127 168 HE2 TYR 17 HE2 TYR 17 7.642 23.251 -14.473 169 HH TYR 17 HH TYR 17 5.592 22.861 -12.596 170 H GLY 18 H GLY 18 9.438 17.033 -18.077 171 HA2 GLY 18 2HA GLY 18 10.746 17.004 -20.399 172 HA3 GLY 18 3HA GLY 18 11.579 18.315 -19.577 Start of MODEL 12 1 H1 ARG 1 H ARG 1 -0.650 -1.887 -1.258 2 HA ARG 1 HA ARG 1 0.550 0.515 -0.098 3 HB2 ARG 1 2HB ARG 1 1.712 -1.166 -2.282 4 HB3 ARG 1 3HB ARG 1 1.937 0.577 -2.333 5 HG2 ARG 1 2HG ARG 1 3.835 -0.151 -1.244 6 HG3 ARG 1 3HG ARG 1 2.778 0.306 0.093 7 HD2 ARG 1 2HD ARG 1 3.710 -1.781 0.685 8 HD3 ARG 1 3HD ARG 1 2.054 -2.114 0.177 9 HE ARG 1 HE ARG 1 4.014 -2.387 -1.917 10 HH11 ARG 1 1HH1 ARG 1 2.336 -3.977 0.686 11 HH12 ARG 1 2HH1 ARG 1 2.571 -5.567 0.039 12 HH21 ARG 1 1HH2 ARG 1 4.329 -4.475 -2.779 13 HH22 ARG 1 2HH2 ARG 1 3.705 -5.850 -1.931 14 H ALA 2 H ALA 2 0.360 2.407 -1.515 15 HA ALA 2 HA ALA 2 -1.630 2.181 -3.644 16 HB1 ALA 2 1HB ALA 2 -2.917 2.606 -1.606 17 HB2 ALA 2 2HB ALA 2 -1.961 4.057 -1.306 18 HB3 ALA 2 3HB ALA 2 -3.004 3.966 -2.725 19 H LEU 3 H LEU 3 -0.012 2.747 -5.107 20 HA LEU 3 HA LEU 3 0.764 5.579 -5.013 21 HB2 LEU 3 2HB LEU 3 2.977 5.086 -5.775 22 HB3 LEU 3 3HB LEU 3 2.660 4.158 -4.310 23 HG LEU 3 HG LEU 3 2.018 2.576 -6.617 24 HD11 LEU 3 1HD1 LEU 3 4.529 2.392 -7.268 25 HD12 LEU 3 2HD1 LEU 3 4.615 4.048 -6.671 26 HD13 LEU 3 3HD1 LEU 3 3.524 3.645 -7.996 27 HD21 LEU 3 1HD2 LEU 3 4.398 1.971 -4.989 28 HD22 LEU 3 2HD2 LEU 3 3.010 0.962 -5.395 29 HD23 LEU 3 3HD2 LEU 3 2.885 2.156 -4.102 30 H ARG 4 H ARG 4 -1.335 4.046 -6.444 31 HA ARG 4 HA ARG 4 -0.536 3.884 -9.190 32 HB2 ARG 4 2HB ARG 4 -3.065 3.541 -7.664 33 HB3 ARG 4 3HB ARG 4 -3.203 3.911 -9.377 34 HG2 ARG 4 2HG ARG 4 -3.265 1.509 -8.959 35 HG3 ARG 4 3HG ARG 4 -1.863 1.964 -9.929 36 HD2 ARG 4 2HD ARG 4 -0.463 1.899 -7.916 37 HD3 ARG 4 3HD ARG 4 -1.867 1.428 -6.960 38 HE ARG 4 HE ARG 4 -1.593 -0.407 -9.043 39 HH11 ARG 4 1HH1 ARG 4 0.123 0.610 -6.190 40 HH12 ARG 4 2HH1 ARG 4 0.854 -0.937 -5.920 41 HH21 ARG 4 1HH2 ARG 4 -0.636 -2.448 -8.698 42 HH22 ARG 4 2HH2 ARG 4 0.423 -2.676 -7.348 43 H ARG 5 H ARG 5 -2.613 6.118 -7.350 44 HA ARG 5 HA ARG 5 -2.869 7.920 -9.575 45 HB2 ARG 5 2HB ARG 5 -4.065 9.363 -7.965 46 HB3 ARG 5 3HB ARG 5 -4.693 7.721 -7.987 47 HG2 ARG 5 2HG ARG 5 -4.583 7.940 -5.756 48 HG3 ARG 5 3HG ARG 5 -2.892 7.503 -6.003 49 HD2 ARG 5 2HD ARG 5 -2.582 10.078 -6.330 50 HD3 ARG 5 3HD ARG 5 -4.104 10.174 -5.445 51 HE ARG 5 HE ARG 5 -1.541 9.602 -4.362 52 HH11 ARG 5 1HH1 ARG 5 -4.923 8.842 -4.034 53 HH12 ARG 5 2HH1 ARG 5 -4.806 8.450 -2.350 54 HH21 ARG 5 1HH2 ARG 5 -1.374 9.089 -2.145 55 HH22 ARG 5 2HH2 ARG 5 -2.787 8.592 -1.277 56 H LEU 6 H LEU 6 -0.865 7.668 -6.717 57 HA LEU 6 HA LEU 6 0.175 10.304 -6.775 58 HB2 LEU 6 2HB LEU 6 0.283 8.877 -4.795 59 HB3 LEU 6 3HB LEU 6 1.367 7.776 -5.643 60 HG LEU 6 HG LEU 6 3.115 9.430 -5.662 61 HD11 LEU 6 1HD1 LEU 6 2.683 11.580 -4.336 62 HD12 LEU 6 2HD1 LEU 6 0.973 11.240 -4.601 63 HD13 LEU 6 3HD1 LEU 6 2.048 11.479 -5.978 64 HD21 LEU 6 1HD2 LEU 6 3.728 9.195 -3.485 65 HD22 LEU 6 2HD2 LEU 6 2.377 8.061 -3.508 66 HD23 LEU 6 3HD2 LEU 6 2.152 9.690 -2.869 67 H ALA 7 H ALA 7 1.782 7.236 -7.644 68 HA ALA 7 HA ALA 7 4.007 8.352 -8.879 69 HB1 ALA 7 1HB ALA 7 4.396 6.205 -9.857 70 HB2 ALA 7 2HB ALA 7 3.723 5.957 -8.246 71 HB3 ALA 7 3HB ALA 7 2.701 5.755 -9.668 72 H ARG 8 H ARG 8 0.759 8.009 -10.034 73 HA ARG 8 HA ARG 8 1.194 8.120 -12.800 74 HB2 ARG 8 2HB ARG 8 -0.981 7.556 -11.903 75 HB3 ARG 8 3HB ARG 8 -1.118 9.135 -11.142 76 HG2 ARG 8 2HG ARG 8 -1.435 10.223 -13.189 77 HG3 ARG 8 3HG ARG 8 -0.845 8.839 -14.112 78 HD2 ARG 8 2HD ARG 8 -3.288 8.616 -12.392 79 HD3 ARG 8 3HD ARG 8 -3.388 9.291 -14.018 80 HE ARG 8 HE ARG 8 -2.084 6.958 -14.406 81 HH11 ARG 8 1HH1 ARG 8 -5.048 7.792 -12.781 82 HH12 ARG 8 2HH1 ARG 8 -5.807 6.269 -13.106 83 HH21 ARG 8 1HH2 ARG 8 -3.073 4.949 -14.840 84 HH22 ARG 8 2HH2 ARG 8 -4.683 4.652 -14.277 85 H LYS 9 H LYS 9 0.182 10.809 -10.681 86 HA LYS 9 HA LYS 9 0.601 12.843 -12.545 87 HB2 LYS 9 2HB LYS 9 0.752 14.338 -10.505 88 HB3 LYS 9 3HB LYS 9 -0.696 13.346 -10.624 89 HG2 LYS 9 2HG LYS 9 0.118 11.825 -8.981 90 HG3 LYS 9 3HG LYS 9 1.710 12.588 -8.985 91 HD2 LYS 9 2HD LYS 9 0.538 13.342 -7.042 92 HD3 LYS 9 3HD LYS 9 0.616 14.688 -8.181 93 HE2 LYS 9 2HE LYS 9 -1.587 14.745 -7.449 94 HE3 LYS 9 3HE LYS 9 -1.696 13.861 -8.970 95 HZ1 LYS 9 1HZ LYS 9 -1.989 11.852 -7.869 96 HZ2 LYS 9 2HZ LYS 9 -2.919 12.929 -6.954 97 HZ3 LYS 9 3HZ LYS 9 -1.398 12.441 -6.398 98 H ILE 10 H ILE 10 2.803 11.357 -10.233 99 HA ILE 10 HA ILE 10 4.927 13.179 -10.478 100 HB ILE 10 HB ILE 10 5.060 10.221 -9.879 101 HG12 ILE 10 2HG1 ILE 10 5.140 12.491 -7.898 102 HG13 ILE 10 3HG1 ILE 10 3.624 11.742 -8.389 103 HG21 ILE 10 1HG2 ILE 10 7.164 11.181 -8.594 104 HG22 ILE 10 2HG2 ILE 10 7.254 10.686 -10.284 105 HG23 ILE 10 3HG2 ILE 10 7.085 12.393 -9.873 106 HD11 ILE 10 1HD1 ILE 10 5.895 10.124 -7.297 107 HD12 ILE 10 2HD1 ILE 10 4.717 10.914 -6.248 108 HD13 ILE 10 3HD1 ILE 10 4.187 9.700 -7.412 109 H ALA 11 H ALA 11 4.649 9.945 -11.967 110 HA ALA 11 HA ALA 11 6.820 10.130 -13.672 111 HB1 ALA 11 1HB ALA 11 5.999 8.246 -14.763 112 HB2 ALA 11 2HB ALA 11 5.294 8.125 -13.150 113 HB3 ALA 11 3HB ALA 11 4.317 8.707 -14.498 114 H HIS 12 H HIS 12 3.421 10.928 -14.378 115 HA HIS 12 HA HIS 12 3.736 11.726 -17.019 116 HB2 HIS 12 2HB HIS 12 1.634 11.595 -15.288 117 HB3 HIS 12 3HB HIS 12 1.832 13.337 -15.449 118 HD1 HIS 12 HD1 HIS 12 -0.592 11.620 -16.582 119 HD2 HIS 12 HD2 HIS 12 2.644 13.049 -18.760 120 HE1 HIS 12 HE1 HIS 12 -1.387 11.742 -18.965 121 H ALA 13 H ALA 13 3.696 13.816 -14.128 122 HA ALA 13 HA ALA 13 4.262 16.229 -15.338 123 HB1 ALA 13 1HB ALA 13 3.651 16.062 -13.000 124 HB2 ALA 13 2HB ALA 13 5.180 15.263 -12.633 125 HB3 ALA 13 3HB ALA 13 5.170 16.943 -13.167 126 H VAL 14 H VAL 14 6.512 13.704 -14.299 127 HA VAL 14 HA VAL 14 8.868 15.180 -14.927 128 HB VAL 14 HB VAL 14 8.478 12.203 -14.587 129 HG11 VAL 14 1HG1 VAL 14 10.884 13.879 -15.096 130 HG12 VAL 14 2HG1 VAL 14 11.032 12.492 -14.015 131 HG13 VAL 14 3HG1 VAL 14 10.491 12.262 -15.678 132 HG21 VAL 14 1HG2 VAL 14 8.287 12.667 -12.423 133 HG22 VAL 14 2HG2 VAL 14 9.930 13.307 -12.455 134 HG23 VAL 14 3HG2 VAL 14 8.559 14.383 -12.721 135 H LYS 15 H LYS 15 6.742 13.069 -16.714 136 HA LYS 15 HA LYS 15 8.550 12.730 -18.931 137 HB2 LYS 15 2HB LYS 15 5.616 12.093 -18.593 138 HB3 LYS 15 3HB LYS 15 6.538 11.717 -20.042 139 HG2 LYS 15 2HG LYS 15 7.748 10.058 -19.009 140 HG3 LYS 15 3HG LYS 15 7.511 10.741 -17.398 141 HD2 LYS 15 2HD LYS 15 6.156 8.826 -17.437 142 HD3 LYS 15 3HD LYS 15 5.040 10.166 -17.712 143 HE2 LYS 15 2HE LYS 15 6.281 8.754 -20.036 144 HE3 LYS 15 3HE LYS 15 4.909 8.029 -19.200 145 HZ1 LYS 15 1HZ LYS 15 3.889 10.382 -19.536 146 HZ2 LYS 15 2HZ LYS 15 3.867 9.262 -20.802 147 HZ3 LYS 15 3HZ LYS 15 5.023 10.497 -20.786 148 H LYS 16 H LYS 16 6.417 15.150 -17.893 149 HA LYS 16 HA LYS 16 6.087 16.233 -20.598 150 HB2 LYS 16 2HB LYS 16 4.063 16.080 -19.218 151 HB3 LYS 16 3HB LYS 16 4.821 17.080 -17.985 152 HG2 LYS 16 2HG LYS 16 4.916 18.950 -19.546 153 HG3 LYS 16 3HG LYS 16 4.176 17.948 -20.797 154 HD2 LYS 16 2HD LYS 16 2.118 17.895 -19.708 155 HD3 LYS 16 3HD LYS 16 2.822 18.342 -18.152 156 HE2 LYS 16 2HE LYS 16 3.461 20.537 -19.477 157 HE3 LYS 16 3HE LYS 16 2.096 20.049 -20.479 158 HZ1 LYS 16 1HZ LYS 16 0.878 19.833 -18.244 159 HZ2 LYS 16 2HZ LYS 16 1.129 21.381 -18.879 160 HZ3 LYS 16 3HZ LYS 16 2.118 20.808 -17.632 161 H TYR 17 H TYR 17 7.157 17.228 -17.355 162 HA TYR 17 HA TYR 17 8.082 19.774 -18.058 163 HB2 TYR 17 2HB TYR 17 8.486 17.913 -15.792 164 HB3 TYR 17 3HB TYR 17 9.725 19.145 -16.006 165 HD1 TYR 17 HD1 TYR 17 6.122 18.594 -15.402 166 HD2 TYR 17 HD2 TYR 17 9.298 21.424 -15.468 167 HE1 TYR 17 HE1 TYR 17 4.679 20.231 -14.269 168 HE2 TYR 17 HE2 TYR 17 7.864 23.069 -14.333 169 HH TYR 17 HH TYR 17 4.810 23.092 -14.244 170 H GLY 18 H GLY 18 9.952 16.761 -17.636 171 HA2 GLY 18 2HA GLY 18 11.500 16.843 -19.871 172 HA3 GLY 18 3HA GLY 18 12.317 17.948 -18.776 Start of MODEL 13 1 H1 ARG 1 H ARG 1 0.789 -2.300 -1.899 2 HA ARG 1 HA ARG 1 0.678 0.290 -0.502 3 HB2 ARG 1 2HB ARG 1 2.697 -0.770 -2.486 4 HB3 ARG 1 3HB ARG 1 2.690 0.874 -1.861 5 HG2 ARG 1 2HG ARG 1 2.790 -1.456 0.009 6 HG3 ARG 1 3HG ARG 1 4.252 -0.878 -0.793 7 HD2 ARG 1 2HD ARG 1 4.154 1.199 0.262 8 HD3 ARG 1 3HD ARG 1 2.449 1.013 0.672 9 HE ARG 1 HE ARG 1 3.058 -0.128 2.566 10 HH11 ARG 1 1HH1 ARG 1 5.802 0.133 0.439 11 HH12 ARG 1 2HH1 ARG 1 6.930 -0.472 1.607 12 HH21 ARG 1 1HH2 ARG 1 4.533 -0.926 4.112 13 HH22 ARG 1 2HH2 ARG 1 6.207 -1.075 3.695 14 H ALA 2 H ALA 2 -0.296 1.971 -1.454 15 HA ALA 2 HA ALA 2 -1.400 1.564 -4.139 16 HB1 ALA 2 1HB ALA 2 -2.945 3.382 -3.579 17 HB2 ALA 2 2HB ALA 2 -3.013 2.077 -2.393 18 HB3 ALA 2 3HB ALA 2 -2.151 3.569 -2.015 19 H LEU 3 H LEU 3 0.031 2.242 -5.630 20 HA LEU 3 HA LEU 3 1.013 5.006 -5.391 21 HB2 LEU 3 2HB LEU 3 3.106 4.368 -6.412 22 HB3 LEU 3 3HB LEU 3 2.834 3.430 -4.945 23 HG LEU 3 HG LEU 3 2.151 2.288 -7.630 24 HD11 LEU 3 1HD1 LEU 3 4.341 1.420 -7.898 25 HD12 LEU 3 2HD1 LEU 3 4.851 2.035 -6.326 26 HD13 LEU 3 3HD1 LEU 3 4.508 3.158 -7.642 27 HD21 LEU 3 1HD2 LEU 3 2.607 1.292 -4.861 28 HD22 LEU 3 2HD2 LEU 3 2.990 0.234 -6.219 29 HD23 LEU 3 3HD2 LEU 3 1.353 0.863 -6.024 30 H ARG 4 H ARG 4 -1.278 3.659 -6.813 31 HA ARG 4 HA ARG 4 -0.662 3.771 -9.607 32 HB2 ARG 4 2HB ARG 4 -3.052 3.252 -7.947 33 HB3 ARG 4 3HB ARG 4 -3.365 3.928 -9.540 34 HG2 ARG 4 2HG ARG 4 -3.469 1.508 -9.591 35 HG3 ARG 4 3HG ARG 4 -2.118 2.094 -10.565 36 HD2 ARG 4 2HD ARG 4 -0.539 1.474 -8.917 37 HD3 ARG 4 3HD ARG 4 -1.796 1.217 -7.708 38 HE ARG 4 HE ARG 4 -2.125 -0.504 -9.953 39 HH11 ARG 4 1HH1 ARG 4 -0.298 -0.054 -7.023 40 HH12 ARG 4 2HH1 ARG 4 0.034 -1.742 -6.816 41 HH21 ARG 4 1HH2 ARG 4 -1.694 -2.729 -9.691 42 HH22 ARG 4 2HH2 ARG 4 -0.760 -3.263 -8.335 43 H ARG 5 H ARG 5 -2.503 5.861 -7.391 44 HA ARG 5 HA ARG 5 -2.871 7.888 -9.398 45 HB2 ARG 5 2HB ARG 5 -3.829 9.205 -7.498 46 HB3 ARG 5 3HB ARG 5 -4.595 7.642 -7.752 47 HG2 ARG 5 2HG ARG 5 -3.623 6.720 -5.844 48 HG3 ARG 5 3HG ARG 5 -2.400 7.989 -5.745 49 HD2 ARG 5 2HD ARG 5 -3.851 8.629 -4.078 50 HD3 ARG 5 3HD ARG 5 -4.462 9.558 -5.446 51 HE ARG 5 HE ARG 5 -5.784 7.071 -5.316 52 HH11 ARG 5 1HH1 ARG 5 -5.592 10.131 -3.666 53 HH12 ARG 5 2HH1 ARG 5 -7.217 10.059 -3.069 54 HH21 ARG 5 1HH2 ARG 5 -7.924 6.965 -4.536 55 HH22 ARG 5 2HH2 ARG 5 -8.542 8.257 -3.564 56 H LEU 6 H LEU 6 -0.615 7.237 -6.824 57 HA LEU 6 HA LEU 6 0.503 9.856 -6.691 58 HB2 LEU 6 2HB LEU 6 0.680 8.239 -4.858 59 HB3 LEU 6 3HB LEU 6 1.678 7.202 -5.875 60 HG LEU 6 HG LEU 6 3.466 8.813 -5.854 61 HD11 LEU 6 1HD1 LEU 6 3.168 10.834 -4.298 62 HD12 LEU 6 2HD1 LEU 6 1.439 10.561 -4.509 63 HD13 LEU 6 3HD1 LEU 6 2.453 10.907 -5.909 64 HD21 LEU 6 1HD2 LEU 6 4.044 7.747 -3.990 65 HD22 LEU 6 2HD2 LEU 6 2.368 7.631 -3.454 66 HD23 LEU 6 3HD2 LEU 6 3.311 9.078 -3.093 67 H ALA 7 H ALA 7 1.937 6.823 -7.911 68 HA ALA 7 HA ALA 7 4.105 7.962 -9.214 69 HB1 ALA 7 1HB ALA 7 4.340 5.894 -10.392 70 HB2 ALA 7 2HB ALA 7 3.771 5.533 -8.761 71 HB3 ALA 7 3HB ALA 7 2.645 5.486 -10.118 72 H ARG 8 H ARG 8 0.774 7.804 -10.168 73 HA ARG 8 HA ARG 8 0.996 8.122 -12.931 74 HB2 ARG 8 2HB ARG 8 -1.140 7.627 -11.977 75 HB3 ARG 8 3HB ARG 8 -1.101 9.078 -10.985 76 HG2 ARG 8 2HG ARG 8 -1.408 10.481 -12.879 77 HG3 ARG 8 3HG ARG 8 -1.166 9.130 -13.990 78 HD2 ARG 8 2HD ARG 8 -3.429 9.349 -12.008 79 HD3 ARG 8 3HD ARG 8 -3.545 9.770 -13.717 80 HE ARG 8 HE ARG 8 -3.515 7.125 -12.576 81 HH11 ARG 8 1HH1 ARG 8 -2.967 9.038 -15.432 82 HH12 ARG 8 2HH1 ARG 8 -3.212 7.715 -16.524 83 HH21 ARG 8 1HH2 ARG 8 -3.840 5.375 -14.002 84 HH22 ARG 8 2HH2 ARG 8 -3.709 5.632 -15.709 85 H LYS 9 H LYS 9 0.347 10.702 -10.549 86 HA LYS 9 HA LYS 9 0.759 12.835 -12.314 87 HB2 LYS 9 2HB LYS 9 1.095 14.189 -10.218 88 HB3 LYS 9 3HB LYS 9 -0.390 13.248 -10.266 89 HG2 LYS 9 2HG LYS 9 0.587 11.571 -8.821 90 HG3 LYS 9 3HG LYS 9 2.128 12.432 -8.828 91 HD2 LYS 9 2HD LYS 9 1.048 13.008 -6.799 92 HD3 LYS 9 3HD LYS 9 0.890 14.409 -7.861 93 HE2 LYS 9 2HE LYS 9 -1.380 13.636 -8.471 94 HE3 LYS 9 3HE LYS 9 -1.213 12.316 -7.315 95 HZ1 LYS 9 1HZ LYS 9 -0.870 14.032 -5.576 96 HZ2 LYS 9 2HZ LYS 9 -2.410 14.069 -6.275 97 HZ3 LYS 9 3HZ LYS 9 -1.253 15.221 -6.717 98 H ILE 10 H ILE 10 2.997 11.103 -10.208 99 HA ILE 10 HA ILE 10 5.211 12.791 -10.461 100 HB ILE 10 HB ILE 10 5.199 9.787 -10.136 101 HG12 ILE 10 2HG1 ILE 10 5.511 11.872 -7.980 102 HG13 ILE 10 3HG1 ILE 10 3.941 11.214 -8.427 103 HG21 ILE 10 1HG2 ILE 10 7.429 10.491 -8.913 104 HG22 ILE 10 2HG2 ILE 10 7.390 10.181 -10.648 105 HG23 ILE 10 3HG2 ILE 10 7.348 11.838 -10.047 106 HD11 ILE 10 1HD1 ILE 10 6.192 9.403 -7.666 107 HD12 ILE 10 2HD1 ILE 10 5.201 10.190 -6.438 108 HD13 ILE 10 3HD1 ILE 10 4.454 9.109 -7.614 109 H ALA 11 H ALA 11 4.612 9.745 -12.226 110 HA ALA 11 HA ALA 11 6.698 9.961 -14.042 111 HB1 ALA 11 1HB ALA 11 5.678 8.249 -15.263 112 HB2 ALA 11 2HB ALA 11 5.125 7.991 -13.608 113 HB3 ALA 11 3HB ALA 11 4.056 8.751 -14.786 114 H HIS 12 H HIS 12 3.318 11.010 -14.438 115 HA HIS 12 HA HIS 12 3.514 12.027 -17.016 116 HB2 HIS 12 2HB HIS 12 1.532 11.877 -15.124 117 HB3 HIS 12 3HB HIS 12 1.810 13.613 -15.226 118 HD1 HIS 12 HD1 HIS 12 0.399 10.742 -17.103 119 HD2 HIS 12 HD2 HIS 12 1.188 14.771 -17.740 120 HE1 HIS 12 HE1 HIS 12 -0.854 11.349 -19.197 121 H ALA 13 H ALA 13 3.778 13.843 -13.956 122 HA ALA 13 HA ALA 13 4.415 16.321 -14.985 123 HB1 ALA 13 1HB ALA 13 3.936 15.949 -12.629 124 HB2 ALA 13 2HB ALA 13 5.459 15.078 -12.444 125 HB3 ALA 13 3HB ALA 13 5.469 16.799 -12.828 126 H VAL 14 H VAL 14 6.567 13.594 -14.317 127 HA VAL 14 HA VAL 14 8.968 14.986 -14.963 128 HB VAL 14 HB VAL 14 8.412 12.017 -14.874 129 HG11 VAL 14 1HG1 VAL 14 10.882 13.593 -15.390 130 HG12 VAL 14 2HG1 VAL 14 11.012 12.108 -14.445 131 HG13 VAL 14 3HG1 VAL 14 10.355 12.059 -16.082 132 HG21 VAL 14 1HG2 VAL 14 8.431 12.241 -12.666 133 HG22 VAL 14 2HG2 VAL 14 10.069 12.889 -12.756 134 HG23 VAL 14 3HG2 VAL 14 8.685 13.979 -12.822 135 H LYS 15 H LYS 15 6.603 13.200 -16.798 136 HA LYS 15 HA LYS 15 8.244 12.932 -19.144 137 HB2 LYS 15 2HB LYS 15 5.291 12.524 -18.662 138 HB3 LYS 15 3HB LYS 15 6.065 12.247 -20.217 139 HG2 LYS 15 2HG LYS 15 7.197 10.385 -19.477 140 HG3 LYS 15 3HG LYS 15 7.125 10.884 -17.785 141 HD2 LYS 15 2HD LYS 15 5.635 9.023 -18.111 142 HD3 LYS 15 3HD LYS 15 4.675 10.477 -17.825 143 HE2 LYS 15 2HE LYS 15 3.941 10.582 -20.005 144 HE3 LYS 15 3HE LYS 15 5.329 9.691 -20.627 145 HZ1 LYS 15 1HZ LYS 15 2.956 8.597 -20.393 146 HZ2 LYS 15 2HZ LYS 15 3.517 8.271 -18.831 147 HZ3 LYS 15 3HZ LYS 15 4.375 7.702 -20.174 148 H LYS 16 H LYS 16 6.347 15.404 -17.774 149 HA LYS 16 HA LYS 16 6.034 16.783 -20.342 150 HB2 LYS 16 2HB LYS 16 4.065 16.618 -18.837 151 HB3 LYS 16 3HB LYS 16 4.947 17.532 -17.621 152 HG2 LYS 16 2HG LYS 16 4.878 19.498 -18.875 153 HG3 LYS 16 3HG LYS 16 4.484 18.639 -20.366 154 HD2 LYS 16 2HD LYS 16 2.270 18.403 -19.804 155 HD3 LYS 16 3HD LYS 16 2.594 18.456 -18.070 156 HE2 LYS 16 2HE LYS 16 2.822 20.793 -18.076 157 HE3 LYS 16 3HE LYS 16 2.998 20.857 -19.829 158 HZ1 LYS 16 1HZ LYS 16 0.595 19.814 -19.694 159 HZ2 LYS 16 2HZ LYS 16 0.843 21.487 -19.643 160 HZ3 LYS 16 3HZ LYS 16 0.577 20.628 -18.210 161 H TYR 17 H TYR 17 7.217 17.420 -17.042 162 HA TYR 17 HA TYR 17 8.329 19.921 -17.487 163 HB2 TYR 17 2HB TYR 17 8.733 17.753 -15.515 164 HB3 TYR 17 3HB TYR 17 10.046 18.916 -15.655 165 HD1 TYR 17 HD1 TYR 17 6.430 18.572 -14.939 166 HD2 TYR 17 HD2 TYR 17 9.854 21.090 -14.737 167 HE1 TYR 17 HE1 TYR 17 5.187 20.137 -13.506 168 HE2 TYR 17 HE2 TYR 17 8.621 22.661 -13.302 169 HH TYR 17 HH TYR 17 5.269 22.010 -12.320 170 H GLY 18 H GLY 18 10.060 16.795 -17.515 171 HA2 GLY 18 2HA GLY 18 11.436 16.577 -19.670 172 HA3 GLY 18 3HA GLY 18 12.161 18.084 -19.130 Start of MODEL 14 1 H1 ARG 1 H ARG 1 -0.646 -0.202 0.251 2 HA ARG 1 HA ARG 1 1.597 0.132 -1.612 3 HB2 ARG 1 2HB ARG 1 -0.352 -2.168 -1.397 4 HB3 ARG 1 3HB ARG 1 1.097 -2.112 -2.392 5 HG2 ARG 1 2HG ARG 1 1.206 -1.851 0.595 6 HG3 ARG 1 3HG ARG 1 1.224 -3.417 -0.218 7 HD2 ARG 1 2HD ARG 1 3.232 -2.826 -1.412 8 HD3 ARG 1 3HD ARG 1 3.176 -1.187 -0.765 9 HE ARG 1 HE ARG 1 3.280 -3.154 1.298 10 HH11 ARG 1 1HH1 ARG 1 5.209 -1.404 -1.011 11 HH12 ARG 1 2HH1 ARG 1 6.669 -1.536 -0.088 12 HH21 ARG 1 1HH2 ARG 1 5.196 -3.335 2.523 13 HH22 ARG 1 2HH2 ARG 1 6.661 -2.636 1.922 14 H ALA 2 H ALA 2 0.030 2.138 -2.061 15 HA ALA 2 HA ALA 2 -1.416 1.416 -4.508 16 HB1 ALA 2 1HB ALA 2 -2.962 1.750 -2.487 17 HB2 ALA 2 2HB ALA 2 -2.561 3.462 -2.639 18 HB3 ALA 2 3HB ALA 2 -3.343 2.617 -3.975 19 H LEU 3 H LEU 3 0.585 2.219 -5.456 20 HA LEU 3 HA LEU 3 0.846 5.146 -5.359 21 HB2 LEU 3 2HB LEU 3 2.856 3.282 -6.570 22 HB3 LEU 3 3HB LEU 3 3.088 4.929 -5.986 23 HG LEU 3 HG LEU 3 2.624 2.499 -4.257 24 HD11 LEU 3 1HD1 LEU 3 4.796 2.310 -5.140 25 HD12 LEU 3 2HD1 LEU 3 4.999 3.037 -3.546 26 HD13 LEU 3 3HD1 LEU 3 5.096 4.042 -4.992 27 HD21 LEU 3 1HD2 LEU 3 3.461 4.226 -2.507 28 HD22 LEU 3 2HD2 LEU 3 1.769 4.245 -3.006 29 HD23 LEU 3 3HD2 LEU 3 2.901 5.420 -3.679 30 H ARG 4 H ARG 4 -1.125 3.566 -6.927 31 HA ARG 4 HA ARG 4 -0.345 3.618 -9.663 32 HB2 ARG 4 2HB ARG 4 -2.877 3.192 -8.162 33 HB3 ARG 4 3HB ARG 4 -3.011 3.650 -9.854 34 HG2 ARG 4 2HG ARG 4 -3.076 1.252 -9.644 35 HG3 ARG 4 3HG ARG 4 -1.590 1.738 -10.464 36 HD2 ARG 4 2HD ARG 4 -0.274 1.306 -8.572 37 HD3 ARG 4 3HD ARG 4 -1.674 1.271 -7.501 38 HE ARG 4 HE ARG 4 -2.126 -0.792 -9.198 39 HH11 ARG 4 1HH1 ARG 4 0.564 0.127 -7.189 40 HH12 ARG 4 2HH1 ARG 4 1.090 -1.503 -6.923 41 HH21 ARG 4 1HH2 ARG 4 -1.444 -2.942 -8.855 42 HH22 ARG 4 2HH2 ARG 4 -0.053 -3.247 -7.871 43 H ARG 5 H ARG 5 -2.486 5.729 -7.747 44 HA ARG 5 HA ARG 5 -2.721 7.650 -9.864 45 HB2 ARG 5 2HB ARG 5 -3.931 9.003 -8.190 46 HB3 ARG 5 3HB ARG 5 -4.548 7.360 -8.295 47 HG2 ARG 5 2HG ARG 5 -4.456 7.503 -6.050 48 HG3 ARG 5 3HG ARG 5 -2.777 7.030 -6.318 49 HD2 ARG 5 2HD ARG 5 -2.433 8.848 -4.991 50 HD3 ARG 5 3HD ARG 5 -2.471 9.650 -6.561 51 HE ARG 5 HE ARG 5 -4.406 10.695 -5.936 52 HH11 ARG 5 1HH1 ARG 5 -3.831 8.002 -3.805 53 HH12 ARG 5 2HH1 ARG 5 -5.125 8.411 -2.728 54 HH21 ARG 5 1HH2 ARG 5 -6.113 11.243 -4.525 55 HH22 ARG 5 2HH2 ARG 5 -6.423 10.254 -3.139 56 H LEU 6 H LEU 6 -0.728 7.264 -7.013 57 HA LEU 6 HA LEU 6 0.300 9.904 -6.936 58 HB2 LEU 6 2HB LEU 6 0.421 8.438 -5.013 59 HB3 LEU 6 3HB LEU 6 1.442 7.312 -5.905 60 HG LEU 6 HG LEU 6 3.265 8.883 -5.904 61 HD11 LEU 6 1HD1 LEU 6 2.998 11.025 -4.584 62 HD12 LEU 6 2HD1 LEU 6 1.258 10.764 -4.694 63 HD13 LEU 6 3HD1 LEU 6 2.211 10.975 -6.162 64 HD21 LEU 6 1HD2 LEU 6 3.700 7.899 -3.952 65 HD22 LEU 6 2HD2 LEU 6 2.004 7.930 -3.468 66 HD23 LEU 6 3HD2 LEU 6 3.027 9.341 -3.191 67 H ALA 7 H ALA 7 1.947 6.894 -7.923 68 HA ALA 7 HA ALA 7 4.161 8.088 -9.102 69 HB1 ALA 7 1HB ALA 7 4.606 5.989 -10.131 70 HB2 ALA 7 2HB ALA 7 3.874 5.657 -8.560 71 HB3 ALA 7 3HB ALA 7 2.911 5.511 -10.031 72 H ARG 8 H ARG 8 0.924 7.744 -10.287 73 HA ARG 8 HA ARG 8 1.375 7.971 -13.045 74 HB2 ARG 8 2HB ARG 8 -0.794 7.330 -12.261 75 HB3 ARG 8 3HB ARG 8 -0.960 8.811 -11.329 76 HG2 ARG 8 2HG ARG 8 -1.020 10.103 -13.413 77 HG3 ARG 8 3HG ARG 8 -0.896 8.601 -14.331 78 HD2 ARG 8 2HD ARG 8 -3.199 9.247 -14.262 79 HD3 ARG 8 3HD ARG 8 -2.992 7.832 -13.231 80 HE ARG 8 HE ARG 8 -2.726 10.000 -11.564 81 HH11 ARG 8 1HH1 ARG 8 -5.172 8.765 -13.711 82 HH12 ARG 8 2HH1 ARG 8 -6.491 9.409 -12.789 83 HH21 ARG 8 1HH2 ARG 8 -4.453 10.853 -10.342 84 HH22 ARG 8 2HH2 ARG 8 -6.080 10.597 -10.874 85 H LYS 9 H LYS 9 0.302 10.551 -10.822 86 HA LYS 9 HA LYS 9 0.684 12.670 -12.595 87 HB2 LYS 9 2HB LYS 9 0.763 14.094 -10.531 88 HB3 LYS 9 3HB LYS 9 -0.620 13.012 -10.619 89 HG2 LYS 9 2HG LYS 9 0.399 11.497 -9.056 90 HG3 LYS 9 3HG LYS 9 1.886 12.447 -9.050 91 HD2 LYS 9 2HD LYS 9 0.910 13.275 -7.160 92 HD3 LYS 9 3HD LYS 9 0.209 14.377 -8.347 93 HE2 LYS 9 2HE LYS 9 -1.155 11.821 -7.557 94 HE3 LYS 9 3HE LYS 9 -1.363 13.307 -6.632 95 HZ1 LYS 9 1HZ LYS 9 -1.832 14.185 -9.099 96 HZ2 LYS 9 2HZ LYS 9 -3.045 13.617 -8.067 97 HZ3 LYS 9 3HZ LYS 9 -2.394 12.596 -9.249 98 H ILE 10 H ILE 10 2.921 11.110 -10.371 99 HA ILE 10 HA ILE 10 5.010 12.982 -10.524 100 HB ILE 10 HB ILE 10 5.200 9.999 -10.086 101 HG12 ILE 10 2HG1 ILE 10 5.262 12.146 -7.975 102 HG13 ILE 10 3HG1 ILE 10 3.745 11.433 -8.515 103 HG21 ILE 10 1HG2 ILE 10 7.293 10.906 -8.764 104 HG22 ILE 10 2HG2 ILE 10 7.382 10.544 -10.487 105 HG23 ILE 10 3HG2 ILE 10 7.183 12.210 -9.945 106 HD11 ILE 10 1HD1 ILE 10 5.964 9.661 -7.614 107 HD12 ILE 10 2HD1 ILE 10 4.961 10.494 -6.426 108 HD13 ILE 10 3HD1 ILE 10 4.222 9.389 -7.585 109 H ALA 11 H ALA 11 4.786 9.828 -12.183 110 HA ALA 11 HA ALA 11 6.945 10.154 -13.887 111 HB1 ALA 11 1HB ALA 11 6.155 8.313 -15.081 112 HB2 ALA 11 2HB ALA 11 5.498 8.080 -13.460 113 HB3 ALA 11 3HB ALA 11 4.467 8.703 -14.748 114 H HIS 12 H HIS 12 3.522 10.900 -14.526 115 HA HIS 12 HA HIS 12 3.789 11.832 -17.128 116 HB2 HIS 12 2HB HIS 12 1.714 11.584 -15.363 117 HB3 HIS 12 3HB HIS 12 1.867 13.335 -15.483 118 HD1 HIS 12 HD1 HIS 12 -0.628 11.947 -16.575 119 HD2 HIS 12 HD2 HIS 12 2.739 12.783 -18.862 120 HE1 HIS 12 HE1 HIS 12 -1.432 12.014 -18.957 121 H ALA 13 H ALA 13 3.724 13.786 -14.143 122 HA ALA 13 HA ALA 13 4.231 16.262 -15.247 123 HB1 ALA 13 1HB ALA 13 3.637 15.953 -12.908 124 HB2 ALA 13 2HB ALA 13 5.207 15.211 -12.594 125 HB3 ALA 13 3HB ALA 13 5.111 16.911 -13.055 126 H VAL 14 H VAL 14 6.543 13.748 -14.322 127 HA VAL 14 HA VAL 14 8.864 15.298 -14.892 128 HB VAL 14 HB VAL 14 8.537 12.301 -14.698 129 HG11 VAL 14 1HG1 VAL 14 10.906 14.050 -15.130 130 HG12 VAL 14 2HG1 VAL 14 11.087 12.615 -14.119 131 HG13 VAL 14 3HG1 VAL 14 10.544 12.456 -15.790 132 HG21 VAL 14 1HG2 VAL 14 8.370 12.635 -12.509 133 HG22 VAL 14 2HG2 VAL 14 9.978 13.359 -12.521 134 HG23 VAL 14 3HG2 VAL 14 8.551 14.376 -12.726 135 H LYS 15 H LYS 15 6.776 13.231 -16.773 136 HA LYS 15 HA LYS 15 8.581 13.044 -19.010 137 HB2 LYS 15 2HB LYS 15 5.683 12.288 -18.638 138 HB3 LYS 15 3HB LYS 15 6.538 12.077 -20.160 139 HG2 LYS 15 2HG LYS 15 7.979 10.463 -19.253 140 HG3 LYS 15 3HG LYS 15 7.539 10.883 -17.596 141 HD2 LYS 15 2HD LYS 15 6.410 8.867 -18.047 142 HD3 LYS 15 3HD LYS 15 5.184 10.128 -18.194 143 HE2 LYS 15 2HE LYS 15 5.036 9.906 -20.471 144 HE3 LYS 15 3HE LYS 15 6.690 9.317 -20.631 145 HZ1 LYS 15 1HZ LYS 15 6.074 7.193 -20.206 146 HZ2 LYS 15 2HZ LYS 15 4.613 7.732 -20.866 147 HZ3 LYS 15 3HZ LYS 15 4.796 7.627 -19.187 148 H LYS 16 H LYS 16 6.405 15.361 -17.845 149 HA LYS 16 HA LYS 16 6.034 16.566 -20.494 150 HB2 LYS 16 2HB LYS 16 4.008 16.315 -19.163 151 HB3 LYS 16 3HB LYS 16 4.744 17.202 -17.834 152 HG2 LYS 16 2HG LYS 16 4.946 19.154 -19.441 153 HG3 LYS 16 3HG LYS 16 3.876 18.245 -20.511 154 HD2 LYS 16 2HD LYS 16 3.251 19.063 -17.674 155 HD3 LYS 16 3HD LYS 16 2.633 19.846 -19.131 156 HE2 LYS 16 2HE LYS 16 1.846 17.391 -19.692 157 HE3 LYS 16 3HE LYS 16 1.938 17.206 -17.941 158 HZ1 LYS 16 1HZ LYS 16 -0.150 17.991 -18.045 159 HZ2 LYS 16 2HZ LYS 16 0.070 18.740 -19.545 160 HZ3 LYS 16 3HZ LYS 16 0.606 19.502 -18.134 161 H TYR 17 H TYR 17 7.254 17.292 -17.250 162 HA TYR 17 HA TYR 17 8.100 19.935 -17.876 163 HB2 TYR 17 2HB TYR 17 8.406 18.063 -15.599 164 HB3 TYR 17 3HB TYR 17 9.638 19.310 -15.750 165 HD1 TYR 17 HD1 TYR 17 6.068 18.664 -15.172 166 HD2 TYR 17 HD2 TYR 17 9.110 21.632 -15.371 167 HE1 TYR 17 HE1 TYR 17 4.554 20.278 -14.100 168 HE2 TYR 17 HE2 TYR 17 7.604 23.255 -14.299 169 HH TYR 17 HH TYR 17 5.536 23.646 -13.572 170 H GLY 18 H GLY 18 9.992 16.963 -17.278 171 HA2 GLY 18 2HA GLY 18 12.285 18.185 -18.617 172 HA3 GLY 18 3HA GLY 18 12.295 16.686 -17.699 Start of MODEL 15 1 H1 ARG 1 H ARG 1 0.416 0.477 0.701 2 HA ARG 1 HA ARG 1 2.449 0.257 -1.420 3 HB2 ARG 1 2HB ARG 1 0.208 -1.581 -0.606 4 HB3 ARG 1 3HB ARG 1 0.965 -1.694 -2.189 5 HG2 ARG 1 2HG ARG 1 3.174 -1.811 -0.797 6 HG3 ARG 1 3HG ARG 1 2.086 -2.314 0.498 7 HD2 ARG 1 2HD ARG 1 1.965 -3.609 -2.200 8 HD3 ARG 1 3HD ARG 1 3.162 -4.118 -1.009 9 HE ARG 1 HE ARG 1 0.671 -4.109 0.240 10 HH11 ARG 1 1HH1 ARG 1 2.316 -5.802 -2.320 11 HH12 ARG 1 2HH1 ARG 1 1.424 -7.271 -2.097 12 HH21 ARG 1 1HH2 ARG 1 -0.509 -6.037 0.542 13 HH22 ARG 1 2HH2 ARG 1 -0.183 -7.403 -0.470 14 H ALA 2 H ALA 2 0.665 2.516 -1.008 15 HA ALA 2 HA ALA 2 -1.024 2.301 -3.413 16 HB1 ALA 2 1HB ALA 2 -2.400 4.070 -2.499 17 HB2 ALA 2 2HB ALA 2 -2.261 2.753 -1.333 18 HB3 ALA 2 3HB ALA 2 -1.319 4.228 -1.113 19 H LEU 3 H LEU 3 0.519 2.870 -4.934 20 HA LEU 3 HA LEU 3 1.341 5.688 -4.853 21 HB2 LEU 3 2HB LEU 3 3.514 5.134 -5.756 22 HB3 LEU 3 3HB LEU 3 3.258 4.310 -4.219 23 HG LEU 3 HG LEU 3 2.698 2.840 -6.753 24 HD11 LEU 3 1HD1 LEU 3 4.990 2.178 -6.987 25 HD12 LEU 3 2HD1 LEU 3 5.458 3.136 -5.583 26 HD13 LEU 3 3HD1 LEU 3 4.905 3.939 -7.052 27 HD21 LEU 3 1HD2 LEU 3 2.124 1.765 -4.683 28 HD22 LEU 3 2HD2 LEU 3 3.727 2.088 -4.021 29 HD23 LEU 3 3HD2 LEU 3 3.538 0.961 -5.365 30 H ARG 4 H ARG 4 -0.818 4.168 -6.221 31 HA ARG 4 HA ARG 4 -0.105 4.039 -8.996 32 HB2 ARG 4 2HB ARG 4 -2.569 3.629 -7.387 33 HB3 ARG 4 3HB ARG 4 -2.784 4.045 -9.082 34 HG2 ARG 4 2HG ARG 4 -2.805 1.644 -8.780 35 HG3 ARG 4 3HG ARG 4 -1.398 2.135 -9.725 36 HD2 ARG 4 2HD ARG 4 0.076 1.596 -8.067 37 HD3 ARG 4 3HD ARG 4 -1.084 1.924 -6.781 38 HE ARG 4 HE ARG 4 -1.941 -0.323 -8.224 39 HH11 ARG 4 1HH1 ARG 4 0.599 0.651 -6.052 40 HH12 ARG 4 2HH1 ARG 4 0.834 -0.939 -5.406 41 HH21 ARG 4 1HH2 ARG 4 -1.642 -2.421 -7.381 42 HH22 ARG 4 2HH2 ARG 4 -0.440 -2.686 -6.163 43 H ARG 5 H ARG 5 -2.242 6.185 -7.111 44 HA ARG 5 HA ARG 5 -2.582 8.017 -9.279 45 HB2 ARG 5 2HB ARG 5 -3.647 9.463 -7.529 46 HB3 ARG 5 3HB ARG 5 -4.343 7.854 -7.668 47 HG2 ARG 5 2HG ARG 5 -3.741 7.273 -5.588 48 HG3 ARG 5 3HG ARG 5 -2.183 8.093 -5.699 49 HD2 ARG 5 2HD ARG 5 -2.992 10.031 -4.855 50 HD3 ARG 5 3HD ARG 5 -4.566 9.831 -5.624 51 HE ARG 5 HE ARG 5 -4.293 7.923 -3.582 52 HH11 ARG 5 1HH1 ARG 5 -4.669 11.357 -4.012 53 HH12 ARG 5 2HH1 ARG 5 -5.474 11.590 -2.496 54 HH21 ARG 5 1HH2 ARG 5 -5.351 8.217 -1.584 55 HH22 ARG 5 2HH2 ARG 5 -5.861 9.803 -1.115 56 H LEU 6 H LEU 6 -0.365 7.714 -6.611 57 HA LEU 6 HA LEU 6 0.623 10.389 -6.697 58 HB2 LEU 6 2HB LEU 6 0.848 9.042 -4.699 59 HB3 LEU 6 3HB LEU 6 1.819 7.860 -5.574 60 HG LEU 6 HG LEU 6 3.620 9.479 -5.803 61 HD11 LEU 6 1HD1 LEU 6 3.417 11.615 -4.448 62 HD12 LEU 6 2HD1 LEU 6 1.679 11.322 -4.440 63 HD13 LEU 6 3HD1 LEU 6 2.526 11.552 -5.969 64 HD21 LEU 6 1HD2 LEU 6 4.169 8.416 -3.905 65 HD22 LEU 6 2HD2 LEU 6 2.558 8.604 -3.213 66 HD23 LEU 6 3HD2 LEU 6 3.718 9.931 -3.123 67 H ALA 7 H ALA 7 2.214 7.323 -7.600 68 HA ALA 7 HA ALA 7 4.368 8.441 -8.952 69 HB1 ALA 7 1HB ALA 7 4.803 6.298 -9.817 70 HB2 ALA 7 2HB ALA 7 4.020 6.021 -8.261 71 HB3 ALA 7 3HB ALA 7 3.101 5.838 -9.755 72 H ARG 8 H ARG 8 1.074 8.054 -9.950 73 HA ARG 8 HA ARG 8 1.408 8.152 -12.741 74 HB2 ARG 8 2HB ARG 8 -0.712 7.496 -11.845 75 HB3 ARG 8 3HB ARG 8 -0.873 9.008 -10.961 76 HG2 ARG 8 2HG ARG 8 -2.320 9.024 -12.885 77 HG3 ARG 8 3HG ARG 8 -1.035 10.216 -13.097 78 HD2 ARG 8 2HD ARG 8 -1.253 9.098 -15.170 79 HD3 ARG 8 3HD ARG 8 0.209 8.463 -14.416 80 HE ARG 8 HE ARG 8 -0.786 6.403 -14.304 81 HH11 ARG 8 1HH1 ARG 8 -3.214 8.814 -14.945 82 HH12 ARG 8 2HH1 ARG 8 -4.470 7.657 -15.241 83 HH21 ARG 8 1HH2 ARG 8 -2.431 4.871 -14.691 84 HH22 ARG 8 2HH2 ARG 8 -4.023 5.415 -15.095 85 H LYS 9 H LYS 9 0.358 10.798 -10.585 86 HA LYS 9 HA LYS 9 0.605 12.853 -12.445 87 HB2 LYS 9 2HB LYS 9 0.760 14.359 -10.453 88 HB3 LYS 9 3HB LYS 9 -0.587 13.230 -10.399 89 HG2 LYS 9 2HG LYS 9 0.589 11.820 -8.846 90 HG3 LYS 9 3HG LYS 9 2.037 12.822 -8.980 91 HD2 LYS 9 2HD LYS 9 0.987 13.483 -6.973 92 HD3 LYS 9 3HD LYS 9 0.608 14.746 -8.146 93 HE2 LYS 9 2HE LYS 9 -1.599 13.988 -8.409 94 HE3 LYS 9 3HE LYS 9 -1.245 12.434 -7.656 95 HZ1 LYS 9 1HZ LYS 9 -2.022 14.907 -6.443 96 HZ2 LYS 9 2HZ LYS 9 -0.634 14.258 -5.728 97 HZ3 LYS 9 3HZ LYS 9 -2.052 13.339 -5.807 98 H ILE 10 H ILE 10 3.004 11.413 -10.314 99 HA ILE 10 HA ILE 10 5.038 13.328 -10.679 100 HB ILE 10 HB ILE 10 5.317 10.382 -10.075 101 HG12 ILE 10 2HG1 ILE 10 5.455 12.653 -8.103 102 HG13 ILE 10 3HG1 ILE 10 3.924 11.887 -8.512 103 HG21 ILE 10 1HG2 ILE 10 7.465 11.379 -8.941 104 HG22 ILE 10 2HG2 ILE 10 7.458 10.959 -10.653 105 HG23 ILE 10 3HG2 ILE 10 7.257 12.639 -10.156 106 HD11 ILE 10 1HD1 ILE 10 6.262 10.273 -7.575 107 HD12 ILE 10 2HD1 ILE 10 5.175 11.073 -6.439 108 HD13 ILE 10 3HD1 ILE 10 4.547 9.863 -7.557 109 H ALA 11 H ALA 11 4.761 10.084 -12.145 110 HA ALA 11 HA ALA 11 6.823 10.342 -13.983 111 HB1 ALA 11 1HB ALA 11 6.006 8.417 -15.017 112 HB2 ALA 11 2HB ALA 11 5.448 8.272 -13.349 113 HB3 ALA 11 3HB ALA 11 4.332 8.796 -14.610 114 H HIS 12 H HIS 12 3.354 10.992 -14.457 115 HA HIS 12 HA HIS 12 3.451 11.767 -17.123 116 HB2 HIS 12 2HB HIS 12 1.483 11.575 -15.244 117 HB3 HIS 12 3HB HIS 12 1.594 13.321 -15.443 118 HD1 HIS 12 HD1 HIS 12 1.147 10.226 -17.605 119 HD2 HIS 12 HD2 HIS 12 0.200 14.271 -17.566 120 HE1 HIS 12 HE1 HIS 12 -0.319 10.592 -19.615 121 H ALA 13 H ALA 13 3.508 13.897 -14.260 122 HA ALA 13 HA ALA 13 3.898 16.311 -15.537 123 HB1 ALA 13 1HB ALA 13 3.439 16.133 -13.155 124 HB2 ALA 13 2HB ALA 13 5.039 15.442 -12.884 125 HB3 ALA 13 3HB ALA 13 4.881 17.108 -13.440 126 H VAL 14 H VAL 14 6.308 13.895 -14.608 127 HA VAL 14 HA VAL 14 8.561 15.454 -15.393 128 HB VAL 14 HB VAL 14 8.311 12.469 -15.000 129 HG11 VAL 14 1HG1 VAL 14 10.614 14.230 -15.673 130 HG12 VAL 14 2HG1 VAL 14 10.882 12.861 -14.591 131 HG13 VAL 14 3HG1 VAL 14 10.248 12.592 -16.215 132 HG21 VAL 14 1HG2 VAL 14 8.303 12.908 -12.824 133 HG22 VAL 14 2HG2 VAL 14 9.853 13.735 -12.989 134 HG23 VAL 14 3HG2 VAL 14 8.348 14.639 -13.158 135 H LYS 15 H LYS 15 6.411 13.249 -17.029 136 HA LYS 15 HA LYS 15 8.095 12.952 -19.348 137 HB2 LYS 15 2HB LYS 15 5.210 12.210 -18.839 138 HB3 LYS 15 3HB LYS 15 6.074 11.839 -20.325 139 HG2 LYS 15 2HG LYS 15 7.347 10.216 -19.347 140 HG3 LYS 15 3HG LYS 15 7.263 10.958 -17.748 141 HD2 LYS 15 2HD LYS 15 4.936 10.260 -17.534 142 HD3 LYS 15 3HD LYS 15 4.989 9.552 -19.150 143 HE2 LYS 15 2HE LYS 15 6.754 8.708 -16.855 144 HE3 LYS 15 3HE LYS 15 5.254 7.899 -17.306 145 HZ1 LYS 15 1HZ LYS 15 6.714 6.652 -18.480 146 HZ2 LYS 15 2HZ LYS 15 7.842 7.900 -18.655 147 HZ3 LYS 15 3HZ LYS 15 6.464 7.863 -19.635 148 H LYS 16 H LYS 16 5.927 15.294 -18.205 149 HA LYS 16 HA LYS 16 5.394 16.333 -20.895 150 HB2 LYS 16 2HB LYS 16 3.460 16.120 -19.405 151 HB3 LYS 16 3HB LYS 16 4.251 17.146 -18.215 152 HG2 LYS 16 2HG LYS 16 4.201 19.012 -19.797 153 HG3 LYS 16 3HG LYS 16 3.393 17.981 -20.980 154 HD2 LYS 16 2HD LYS 16 1.566 18.994 -20.060 155 HD3 LYS 16 3HD LYS 16 1.711 17.618 -18.963 156 HE2 LYS 16 2HE LYS 16 1.421 19.494 -17.574 157 HE3 LYS 16 3HE LYS 16 3.144 19.127 -17.505 158 HZ1 LYS 16 1HZ LYS 16 2.464 21.542 -17.819 159 HZ2 LYS 16 2HZ LYS 16 2.068 21.116 -19.407 160 HZ3 LYS 16 3HZ LYS 16 3.657 20.936 -18.855 161 H TYR 17 H TYR 17 6.602 17.417 -17.729 162 HA TYR 17 HA TYR 17 7.376 19.989 -18.493 163 HB2 TYR 17 2HB TYR 17 8.023 18.149 -16.267 164 HB3 TYR 17 3HB TYR 17 9.190 19.433 -16.568 165 HD1 TYR 17 HD1 TYR 17 5.644 18.749 -15.758 166 HD2 TYR 17 HD2 TYR 17 8.730 21.672 -15.944 167 HE1 TYR 17 HE1 TYR 17 4.218 20.325 -14.519 168 HE2 TYR 17 HE2 TYR 17 7.313 23.255 -14.704 169 HH TYR 17 HH TYR 17 3.961 22.550 -13.989 170 H GLY 18 H GLY 18 9.492 17.137 -18.090 171 HA2 GLY 18 2HA GLY 18 11.168 18.213 -20.267 172 HA3 GLY 18 3HA GLY 18 11.894 17.654 -18.767 Start of MODEL 16 1 H1 ARG 1 H ARG 1 2.286 1.442 -1.093 2 HA ARG 1 HA ARG 1 1.460 -1.363 -1.463 3 HB2 ARG 1 2HB ARG 1 0.685 0.650 0.563 4 HB3 ARG 1 3HB ARG 1 -0.626 -0.316 -0.100 5 HG2 ARG 1 2HG ARG 1 -0.016 -1.585 1.701 6 HG3 ARG 1 3HG ARG 1 0.974 -2.314 0.434 7 HD2 ARG 1 2HD ARG 1 2.298 -1.954 2.434 8 HD3 ARG 1 3HD ARG 1 2.867 -0.915 1.128 9 HE ARG 1 HE ARG 1 0.975 0.441 2.747 10 HH11 ARG 1 1HH1 ARG 1 4.285 -0.637 2.687 11 HH12 ARG 1 2HH1 ARG 1 4.844 0.600 3.763 12 HH21 ARG 1 1HH2 ARG 1 1.699 2.074 4.166 13 HH22 ARG 1 2HH2 ARG 1 3.372 2.141 4.605 14 H ALA 2 H ALA 2 0.713 2.025 -2.047 15 HA ALA 2 HA ALA 2 -0.859 1.230 -4.380 16 HB1 ALA 2 1HB ALA 2 -1.885 2.802 -2.058 17 HB2 ALA 2 2HB ALA 2 -2.492 3.139 -3.680 18 HB3 ALA 2 3HB ALA 2 -2.671 1.527 -2.989 19 H LEU 3 H LEU 3 0.970 1.986 -5.551 20 HA LEU 3 HA LEU 3 1.448 4.881 -5.429 21 HB2 LEU 3 2HB LEU 3 3.519 4.489 -6.532 22 HB3 LEU 3 3HB LEU 3 3.382 3.335 -5.207 23 HG LEU 3 HG LEU 3 2.386 2.159 -7.630 24 HD11 LEU 3 1HD1 LEU 3 3.715 3.241 -9.098 25 HD12 LEU 3 2HD1 LEU 3 4.925 2.109 -8.496 26 HD13 LEU 3 3HD1 LEU 3 4.860 3.751 -7.857 27 HD21 LEU 3 1HD2 LEU 3 4.943 1.256 -6.499 28 HD22 LEU 3 2HD2 LEU 3 3.456 0.360 -6.809 29 HD23 LEU 3 3HD2 LEU 3 3.606 1.344 -5.352 30 H ARG 4 H ARG 4 -0.869 3.533 -6.721 31 HA ARG 4 HA ARG 4 -0.505 3.692 -9.546 32 HB2 ARG 4 2HB ARG 4 -2.819 3.321 -7.704 33 HB3 ARG 4 3HB ARG 4 -3.151 3.827 -9.355 34 HG2 ARG 4 2HG ARG 4 -3.317 1.467 -9.299 35 HG3 ARG 4 3HG ARG 4 -1.809 1.857 -10.129 36 HD2 ARG 4 2HD ARG 4 -0.500 1.188 -8.330 37 HD3 ARG 4 3HD ARG 4 -1.829 1.344 -7.181 38 HE ARG 4 HE ARG 4 -2.494 -0.790 -7.704 39 HH11 ARG 4 1HH1 ARG 4 -0.182 0.315 -10.060 40 HH12 ARG 4 2HH1 ARG 4 -0.008 -1.237 -10.809 41 HH21 ARG 4 1HH2 ARG 4 -2.274 -2.839 -8.681 42 HH22 ARG 4 2HH2 ARG 4 -1.199 -3.030 -10.025 43 H ARG 5 H ARG 5 -2.120 5.795 -7.172 44 HA ARG 5 HA ARG 5 -2.589 7.849 -9.138 45 HB2 ARG 5 2HB ARG 5 -3.423 9.154 -7.172 46 HB3 ARG 5 3HB ARG 5 -4.223 7.604 -7.401 47 HG2 ARG 5 2HG ARG 5 -3.052 6.628 -5.590 48 HG3 ARG 5 3HG ARG 5 -1.946 8.000 -5.481 49 HD2 ARG 5 2HD ARG 5 -3.484 8.276 -3.716 50 HD3 ARG 5 3HD ARG 5 -3.977 9.420 -4.964 51 HE ARG 5 HE ARG 5 -5.942 8.269 -5.189 52 HH11 ARG 5 1HH1 ARG 5 -3.652 6.288 -3.471 53 HH12 ARG 5 2HH1 ARG 5 -4.810 5.057 -3.084 54 HH21 ARG 5 1HH2 ARG 5 -7.475 6.657 -4.686 55 HH22 ARG 5 2HH2 ARG 5 -6.983 5.268 -3.777 56 H LEU 6 H LEU 6 -0.204 7.132 -6.701 57 HA LEU 6 HA LEU 6 0.956 9.732 -6.589 58 HB2 LEU 6 2HB LEU 6 1.217 8.062 -4.807 59 HB3 LEU 6 3HB LEU 6 2.157 7.052 -5.903 60 HG LEU 6 HG LEU 6 3.946 8.662 -5.936 61 HD11 LEU 6 1HD1 LEU 6 3.734 10.641 -4.311 62 HD12 LEU 6 2HD1 LEU 6 1.996 10.374 -4.440 63 HD13 LEU 6 3HD1 LEU 6 2.938 10.757 -5.881 64 HD21 LEU 6 1HD2 LEU 6 4.801 8.072 -3.934 65 HD22 LEU 6 2HD2 LEU 6 3.341 7.087 -3.838 66 HD23 LEU 6 3HD2 LEU 6 3.399 8.660 -3.040 67 H ALA 7 H ALA 7 2.235 6.704 -7.985 68 HA ALA 7 HA ALA 7 4.358 7.826 -9.375 69 HB1 ALA 7 1HB ALA 7 4.427 5.795 -10.667 70 HB2 ALA 7 2HB ALA 7 4.017 5.402 -8.996 71 HB3 ALA 7 3HB ALA 7 2.759 5.418 -10.232 72 H ARG 8 H ARG 8 0.972 7.792 -10.135 73 HA ARG 8 HA ARG 8 1.076 8.232 -12.899 74 HB2 ARG 8 2HB ARG 8 -0.999 7.668 -11.754 75 HB3 ARG 8 3HB ARG 8 -0.953 9.190 -10.874 76 HG2 ARG 8 2HG ARG 8 -2.515 9.501 -12.594 77 HG3 ARG 8 3HG ARG 8 -1.056 10.337 -13.129 78 HD2 ARG 8 2HD ARG 8 -0.457 8.378 -14.491 79 HD3 ARG 8 3HD ARG 8 -1.945 7.583 -13.980 80 HE ARG 8 HE ARG 8 -1.672 9.594 -15.994 81 HH11 ARG 8 1HH1 ARG 8 -3.835 8.252 -13.620 82 HH12 ARG 8 2HH1 ARG 8 -5.269 8.763 -14.447 83 HH21 ARG 8 1HH2 ARG 8 -3.552 10.272 -17.093 84 HH22 ARG 8 2HH2 ARG 8 -5.107 9.912 -16.423 85 H LYS 9 H LYS 9 0.476 10.687 -10.378 86 HA LYS 9 HA LYS 9 0.799 12.915 -12.016 87 HB2 LYS 9 2HB LYS 9 1.266 14.147 -9.876 88 HB3 LYS 9 3HB LYS 9 -0.206 13.185 -9.866 89 HG2 LYS 9 2HG LYS 9 0.893 11.449 -8.593 90 HG3 LYS 9 3HG LYS 9 2.422 12.328 -8.671 91 HD2 LYS 9 2HD LYS 9 1.658 12.943 -6.588 92 HD3 LYS 9 3HD LYS 9 1.028 14.257 -7.584 93 HE2 LYS 9 2HE LYS 9 -0.632 11.817 -7.117 94 HE3 LYS 9 3HE LYS 9 -0.522 13.052 -5.864 95 HZ1 LYS 9 1HZ LYS 9 -1.015 14.502 -8.086 96 HZ2 LYS 9 2HZ LYS 9 -2.188 14.012 -6.970 97 HZ3 LYS 9 3HZ LYS 9 -1.928 13.107 -8.375 98 H ILE 10 H ILE 10 3.181 11.051 -10.208 99 HA ILE 10 HA ILE 10 5.366 12.789 -10.541 100 HB ILE 10 HB ILE 10 5.391 9.781 -10.271 101 HG12 ILE 10 2HG1 ILE 10 5.851 11.822 -8.100 102 HG13 ILE 10 3HG1 ILE 10 4.250 11.182 -8.454 103 HG21 ILE 10 1HG2 ILE 10 7.696 10.437 -9.208 104 HG22 ILE 10 2HG2 ILE 10 7.535 10.229 -10.951 105 HG23 ILE 10 3HG2 ILE 10 7.535 11.848 -10.253 106 HD11 ILE 10 1HD1 ILE 10 6.602 9.445 -7.770 107 HD12 ILE 10 2HD1 ILE 10 5.469 10.073 -6.572 108 HD13 ILE 10 3HD1 ILE 10 4.900 8.990 -7.843 109 H ALA 11 H ALA 11 4.586 9.809 -12.345 110 HA ALA 11 HA ALA 11 6.566 10.058 -14.290 111 HB1 ALA 11 1HB ALA 11 5.458 8.370 -15.477 112 HB2 ALA 11 2HB ALA 11 5.050 8.066 -13.788 113 HB3 ALA 11 3HB ALA 11 3.879 8.844 -14.852 114 H HIS 12 H HIS 12 3.175 11.133 -14.383 115 HA HIS 12 HA HIS 12 3.153 12.182 -16.958 116 HB2 HIS 12 2HB HIS 12 1.336 12.009 -14.920 117 HB3 HIS 12 3HB HIS 12 1.629 13.744 -14.985 118 HD1 HIS 12 HD1 HIS 12 1.371 11.298 -17.880 119 HD2 HIS 12 HD2 HIS 12 -0.536 14.654 -16.345 120 HE1 HIS 12 HE1 HIS 12 -0.386 11.906 -19.574 121 H ALA 13 H ALA 13 3.669 13.970 -13.912 122 HA ALA 13 HA ALA 13 4.255 16.447 -14.974 123 HB1 ALA 13 1HB ALA 13 3.945 16.068 -12.592 124 HB2 ALA 13 2HB ALA 13 5.467 15.180 -12.521 125 HB3 ALA 13 3HB ALA 13 5.468 16.903 -12.896 126 H VAL 14 H VAL 14 6.421 13.695 -14.481 127 HA VAL 14 HA VAL 14 8.784 15.064 -15.286 128 HB VAL 14 HB VAL 14 8.202 12.101 -15.189 129 HG11 VAL 14 1HG1 VAL 14 10.651 13.658 -15.853 130 HG12 VAL 14 2HG1 VAL 14 10.824 12.155 -14.944 131 HG13 VAL 14 3HG1 VAL 14 10.056 12.143 -16.532 132 HG21 VAL 14 1HG2 VAL 14 8.465 12.236 -12.988 133 HG22 VAL 14 2HG2 VAL 14 10.022 13.038 -13.191 134 HG23 VAL 14 3HG2 VAL 14 8.541 13.993 -13.127 135 H LYS 15 H LYS 15 6.282 13.304 -16.962 136 HA LYS 15 HA LYS 15 7.758 13.094 -19.429 137 HB2 LYS 15 2HB LYS 15 4.862 12.585 -18.737 138 HB3 LYS 15 3HB LYS 15 5.534 12.340 -20.344 139 HG2 LYS 15 2HG LYS 15 6.723 10.490 -19.719 140 HG3 LYS 15 3HG LYS 15 6.850 11.005 -18.035 141 HD2 LYS 15 2HD LYS 15 4.580 10.410 -17.605 142 HD3 LYS 15 3HD LYS 15 4.264 10.143 -19.321 143 HE2 LYS 15 2HE LYS 15 6.121 8.529 -17.575 144 HE3 LYS 15 3HE LYS 15 4.530 8.026 -18.145 145 HZ1 LYS 15 1HZ LYS 15 5.500 8.405 -20.459 146 HZ2 LYS 15 2HZ LYS 15 6.003 7.029 -19.615 147 HZ3 LYS 15 3HZ LYS 15 7.013 8.383 -19.702 148 H LYS 16 H LYS 16 5.968 15.511 -17.873 149 HA LYS 16 HA LYS 16 5.360 16.895 -20.387 150 HB2 LYS 16 2HB LYS 16 3.508 16.758 -18.828 151 HB3 LYS 16 3HB LYS 16 4.492 17.451 -17.545 152 HG2 LYS 16 2HG LYS 16 4.408 19.575 -18.443 153 HG3 LYS 16 3HG LYS 16 4.035 18.986 -20.065 154 HD2 LYS 16 2HD LYS 16 1.806 18.744 -19.611 155 HD3 LYS 16 3HD LYS 16 2.078 18.435 -17.895 156 HE2 LYS 16 2HE LYS 16 2.961 21.073 -18.478 157 HE3 LYS 16 3HE LYS 16 1.352 20.867 -19.169 158 HZ1 LYS 16 1HZ LYS 16 2.189 20.623 -16.349 159 HZ2 LYS 16 2HZ LYS 16 0.763 19.897 -16.897 160 HZ3 LYS 16 3HZ LYS 16 0.955 21.574 -17.010 161 H TYR 17 H TYR 17 7.068 17.327 -17.316 162 HA TYR 17 HA TYR 17 8.057 19.921 -17.925 163 HB2 TYR 17 2HB TYR 17 8.503 17.893 -15.813 164 HB3 TYR 17 3HB TYR 17 9.816 19.034 -16.079 165 HD1 TYR 17 HD1 TYR 17 6.310 18.674 -15.034 166 HD2 TYR 17 HD2 TYR 17 9.576 21.360 -15.501 167 HE1 TYR 17 HE1 TYR 17 5.122 20.345 -13.676 168 HE2 TYR 17 HE2 TYR 17 8.398 23.038 -14.143 169 HH TYR 17 HH TYR 17 5.250 23.036 -13.543 170 H GLY 18 H GLY 18 9.607 16.709 -17.929 171 HA2 GLY 18 2HA GLY 18 11.757 17.848 -19.595 172 HA3 GLY 18 3HA GLY 18 11.915 16.415 -18.592 Start of MODEL 17 1 H1 ARG 1 H ARG 1 3.786 1.020 -1.326 2 HA ARG 1 HA ARG 1 1.906 -0.484 -2.997 3 HB2 ARG 1 2HB ARG 1 1.601 -0.159 -0.007 4 HB3 ARG 1 3HB ARG 1 0.472 -0.966 -1.087 5 HG2 ARG 1 2HG ARG 1 2.255 -2.613 -1.623 6 HG3 ARG 1 3HG ARG 1 3.264 -1.847 -0.394 7 HD2 ARG 1 2HD ARG 1 1.069 -2.248 1.066 8 HD3 ARG 1 3HD ARG 1 0.863 -3.559 -0.096 9 HE ARG 1 HE ARG 1 3.489 -3.630 0.873 10 HH11 ARG 1 1HH1 ARG 1 0.230 -4.147 1.982 11 HH12 ARG 1 2HH1 ARG 1 0.686 -5.301 3.191 12 HH21 ARG 1 1HH2 ARG 1 4.102 -5.147 2.462 13 HH22 ARG 1 2HH2 ARG 1 2.888 -5.868 3.464 14 H ALA 2 H ALA 2 -0.243 0.476 -3.078 15 HA ALA 2 HA ALA 2 -1.586 2.264 -3.522 16 HB1 ALA 2 1HB ALA 2 -1.708 3.968 -1.670 17 HB2 ALA 2 2HB ALA 2 -1.967 2.293 -1.184 18 HB3 ALA 2 3HB ALA 2 -0.416 3.072 -0.871 19 H LEU 3 H LEU 3 0.392 2.466 -5.184 20 HA LEU 3 HA LEU 3 1.165 5.301 -5.105 21 HB2 LEU 3 2HB LEU 3 3.317 4.773 -6.069 22 HB3 LEU 3 3HB LEU 3 3.106 3.924 -4.539 23 HG LEU 3 HG LEU 3 2.280 2.244 -6.720 24 HD11 LEU 3 1HD1 LEU 3 3.708 3.100 -8.270 25 HD12 LEU 3 2HD1 LEU 3 4.822 2.021 -7.431 26 HD13 LEU 3 3HD1 LEU 3 4.817 3.744 -7.059 27 HD21 LEU 3 1HD2 LEU 3 4.748 1.643 -5.245 28 HD22 LEU 3 2HD2 LEU 3 3.289 0.676 -5.465 29 HD23 LEU 3 3HD2 LEU 3 3.330 1.947 -4.241 30 H ARG 4 H ARG 4 -1.036 3.840 -6.427 31 HA ARG 4 HA ARG 4 -0.422 3.666 -9.213 32 HB2 ARG 4 2HB ARG 4 -2.907 3.517 -7.562 33 HB3 ARG 4 3HB ARG 4 -3.059 3.774 -9.295 34 HG2 ARG 4 2HG ARG 4 -3.236 1.451 -8.946 35 HG3 ARG 4 3HG ARG 4 -1.624 1.728 -9.608 36 HD2 ARG 4 2HD ARG 4 -0.610 1.464 -7.480 37 HD3 ARG 4 3HD ARG 4 -2.168 1.523 -6.657 38 HE ARG 4 HE ARG 4 -2.044 -0.646 -8.491 39 HH11 ARG 4 1HH1 ARG 4 -0.998 0.391 -5.336 40 HH12 ARG 4 2HH1 ARG 4 -0.880 -1.217 -4.703 41 HH21 ARG 4 1HH2 ARG 4 -1.893 -2.768 -7.669 42 HH22 ARG 4 2HH2 ARG 4 -1.389 -3.014 -6.031 43 H ARG 5 H ARG 5 -2.474 5.929 -7.366 44 HA ARG 5 HA ARG 5 -2.669 7.766 -9.546 45 HB2 ARG 5 2HB ARG 5 -3.767 9.247 -7.891 46 HB3 ARG 5 3HB ARG 5 -4.461 7.632 -7.926 47 HG2 ARG 5 2HG ARG 5 -4.296 7.797 -5.695 48 HG3 ARG 5 3HG ARG 5 -2.622 7.319 -5.982 49 HD2 ARG 5 2HD ARG 5 -2.246 9.173 -4.720 50 HD3 ARG 5 3HD ARG 5 -2.333 9.937 -6.307 51 HE ARG 5 HE ARG 5 -4.197 11.037 -5.601 52 HH11 ARG 5 1HH1 ARG 5 -3.767 8.210 -3.615 53 HH12 ARG 5 2HH1 ARG 5 -5.085 8.592 -2.557 54 HH21 ARG 5 1HH2 ARG 5 -5.934 11.552 -4.215 55 HH22 ARG 5 2HH2 ARG 5 -6.317 10.493 -2.900 56 H LEU 6 H LEU 6 -0.610 7.449 -6.732 57 HA LEU 6 HA LEU 6 0.507 10.042 -6.775 58 HB2 LEU 6 2HB LEU 6 0.652 8.491 -4.864 59 HB3 LEU 6 3HB LEU 6 1.744 7.471 -5.798 60 HG LEU 6 HG LEU 6 3.444 9.174 -5.766 61 HD11 LEU 6 1HD1 LEU 6 3.014 11.245 -4.355 62 HD12 LEU 6 2HD1 LEU 6 1.300 10.862 -4.513 63 HD13 LEU 6 3HD1 LEU 6 2.266 11.195 -5.951 64 HD21 LEU 6 1HD2 LEU 6 4.014 8.244 -3.831 65 HD22 LEU 6 2HD2 LEU 6 2.325 7.995 -3.388 66 HD23 LEU 6 3HD2 LEU 6 3.120 9.526 -3.016 67 H ALA 7 H ALA 7 2.032 6.976 -7.788 68 HA ALA 7 HA ALA 7 4.208 8.098 -9.101 69 HB1 ALA 7 1HB ALA 7 4.559 5.971 -10.102 70 HB2 ALA 7 2HB ALA 7 3.891 5.683 -8.495 71 HB3 ALA 7 3HB ALA 7 2.861 5.533 -9.918 72 H ARG 8 H ARG 8 0.908 7.802 -10.114 73 HA ARG 8 HA ARG 8 1.271 8.009 -12.902 74 HB2 ARG 8 2HB ARG 8 -0.849 7.294 -11.959 75 HB3 ARG 8 3HB ARG 8 -1.052 8.847 -11.160 76 HG2 ARG 8 2HG ARG 8 -2.452 8.818 -13.083 77 HG3 ARG 8 3HG ARG 8 -1.111 9.917 -13.409 78 HD2 ARG 8 2HD ARG 8 0.029 7.950 -14.541 79 HD3 ARG 8 3HD ARG 8 -1.527 7.126 -14.446 80 HE ARG 8 HE ARG 8 -2.123 9.494 -15.632 81 HH11 ARG 8 1HH1 ARG 8 0.177 6.965 -16.292 82 HH12 ARG 8 2HH1 ARG 8 0.173 7.229 -18.004 83 HH21 ARG 8 1HH2 ARG 8 -2.138 9.850 -17.885 84 HH22 ARG 8 2HH2 ARG 8 -1.144 8.871 -18.909 85 H LYS 9 H LYS 9 0.177 10.540 -10.635 86 HA LYS 9 HA LYS 9 0.414 12.684 -12.390 87 HB2 LYS 9 2HB LYS 9 0.568 14.090 -10.316 88 HB3 LYS 9 3HB LYS 9 -0.787 12.970 -10.344 89 HG2 LYS 9 2HG LYS 9 0.409 11.447 -8.883 90 HG3 LYS 9 3HG LYS 9 1.813 12.517 -8.893 91 HD2 LYS 9 2HD LYS 9 -0.857 13.559 -8.038 92 HD3 LYS 9 3HD LYS 9 0.121 12.614 -6.913 93 HE2 LYS 9 2HE LYS 9 1.401 14.865 -8.384 94 HE3 LYS 9 3HE LYS 9 0.324 15.239 -7.039 95 HZ1 LYS 9 1HZ LYS 9 1.680 14.052 -5.551 96 HZ2 LYS 9 2HZ LYS 9 2.746 14.981 -6.480 97 HZ3 LYS 9 3HZ LYS 9 2.573 13.328 -6.793 98 H ILE 10 H ILE 10 2.812 11.224 -10.254 99 HA ILE 10 HA ILE 10 4.829 13.157 -10.562 100 HB ILE 10 HB ILE 10 5.136 10.197 -10.043 101 HG12 ILE 10 2HG1 ILE 10 5.233 12.411 -8.004 102 HG13 ILE 10 3HG1 ILE 10 3.714 11.640 -8.448 103 HG21 ILE 10 1HG2 ILE 10 7.260 11.216 -8.852 104 HG22 ILE 10 2HG2 ILE 10 7.279 10.791 -10.563 105 HG23 ILE 10 3HG2 ILE 10 7.052 12.470 -10.075 106 HD11 ILE 10 1HD1 ILE 10 6.123 10.216 -7.343 107 HD12 ILE 10 2HD1 ILE 10 4.695 10.686 -6.420 108 HD13 ILE 10 3HD1 ILE 10 4.556 9.496 -7.715 109 H ALA 11 H ALA 11 4.593 9.958 -12.131 110 HA ALA 11 HA ALA 11 6.671 10.280 -13.937 111 HB1 ALA 11 1HB ALA 11 5.874 8.389 -15.035 112 HB2 ALA 11 2HB ALA 11 5.268 8.194 -13.390 113 HB3 ALA 11 3HB ALA 11 4.191 8.764 -14.665 114 H HIS 12 H HIS 12 3.208 10.943 -14.438 115 HA HIS 12 HA HIS 12 3.342 11.817 -17.071 116 HB2 HIS 12 2HB HIS 12 1.344 11.544 -15.246 117 HB3 HIS 12 3HB HIS 12 1.465 13.299 -15.341 118 HD1 HIS 12 HD1 HIS 12 -0.608 13.801 -16.663 119 HD2 HIS 12 HD2 HIS 12 1.766 10.901 -18.456 120 HE1 HIS 12 HE1 HIS 12 -1.620 13.412 -18.932 121 H ALA 13 H ALA 13 3.372 13.836 -14.129 122 HA ALA 13 HA ALA 13 3.771 16.298 -15.307 123 HB1 ALA 13 1HB ALA 13 3.296 16.034 -12.939 124 HB2 ALA 13 2HB ALA 13 4.889 15.321 -12.681 125 HB3 ALA 13 3HB ALA 13 4.747 17.009 -13.172 126 H VAL 14 H VAL 14 6.178 13.850 -14.450 127 HA VAL 14 HA VAL 14 8.433 15.439 -15.166 128 HB VAL 14 HB VAL 14 8.186 12.442 -14.878 129 HG11 VAL 14 1HG1 VAL 14 10.490 14.230 -15.471 130 HG12 VAL 14 2HG1 VAL 14 10.753 12.824 -14.437 131 HG13 VAL 14 3HG1 VAL 14 10.132 12.612 -16.074 132 HG21 VAL 14 1HG2 VAL 14 8.121 12.830 -12.693 133 HG22 VAL 14 2HG2 VAL 14 9.708 13.592 -12.805 134 HG23 VAL 14 3HG2 VAL 14 8.247 14.568 -12.965 135 H LYS 15 H LYS 15 6.302 13.281 -16.890 136 HA LYS 15 HA LYS 15 8.003 13.078 -19.208 137 HB2 LYS 15 2HB LYS 15 5.130 12.281 -18.718 138 HB3 LYS 15 3HB LYS 15 5.977 11.995 -20.233 139 HG2 LYS 15 2HG LYS 15 7.353 10.388 -19.317 140 HG3 LYS 15 3HG LYS 15 7.141 10.994 -17.673 141 HD2 LYS 15 2HD LYS 15 5.904 9.004 -17.729 142 HD3 LYS 15 3HD LYS 15 4.696 10.278 -17.920 143 HE2 LYS 15 2HE LYS 15 4.091 8.743 -19.550 144 HE3 LYS 15 3HE LYS 15 5.053 9.913 -20.452 145 HZ1 LYS 15 1HZ LYS 15 6.836 8.462 -20.590 146 HZ2 LYS 15 2HZ LYS 15 5.510 7.433 -20.800 147 HZ3 LYS 15 3HZ LYS 15 6.302 7.498 -19.306 148 H LYS 16 H LYS 16 5.821 15.365 -17.994 149 HA LYS 16 HA LYS 16 5.280 16.488 -20.649 150 HB2 LYS 16 2HB LYS 16 3.348 16.215 -19.169 151 HB3 LYS 16 3HB LYS 16 4.131 17.204 -17.945 152 HG2 LYS 16 2HG LYS 16 4.084 19.118 -19.483 153 HG3 LYS 16 3HG LYS 16 3.249 18.119 -20.675 154 HD2 LYS 16 2HD LYS 16 1.526 19.293 -19.620 155 HD3 LYS 16 3HD LYS 16 1.512 17.717 -18.825 156 HE2 LYS 16 2HE LYS 16 2.568 18.567 -16.900 157 HE3 LYS 16 3HE LYS 16 3.049 20.051 -17.720 158 HZ1 LYS 16 1HZ LYS 16 1.232 20.588 -16.340 159 HZ2 LYS 16 2HZ LYS 16 0.326 19.259 -16.862 160 HZ3 LYS 16 3HZ LYS 16 0.615 20.550 -17.915 161 H TYR 17 H TYR 17 6.508 17.455 -17.455 162 HA TYR 17 HA TYR 17 7.265 20.061 -18.149 163 HB2 TYR 17 2HB TYR 17 7.887 18.175 -15.955 164 HB3 TYR 17 3HB TYR 17 9.054 19.467 -16.212 165 HD1 TYR 17 HD1 TYR 17 5.518 18.742 -15.423 166 HD2 TYR 17 HD2 TYR 17 8.563 21.708 -15.587 167 HE1 TYR 17 HE1 TYR 17 4.072 20.286 -14.169 168 HE2 TYR 17 HE2 TYR 17 7.126 23.261 -14.332 169 HH TYR 17 HH TYR 17 4.195 22.243 -12.826 170 H GLY 18 H GLY 18 9.231 17.090 -18.003 171 HA2 GLY 18 2HA GLY 18 10.846 16.536 -19.667 172 HA3 GLY 18 3HA GLY 18 10.973 18.242 -20.068 Start of MODEL 18 1 H1 ARG 1 H ARG 1 1.911 -0.200 0.957 2 HA ARG 1 HA ARG 1 2.606 -0.300 -1.683 3 HB2 ARG 1 2HB ARG 1 0.221 -1.732 -0.501 4 HB3 ARG 1 3HB ARG 1 1.159 -2.228 -1.903 5 HG2 ARG 1 2HG ARG 1 3.150 -2.321 -0.284 6 HG3 ARG 1 3HG ARG 1 1.927 -2.290 0.988 7 HD2 ARG 1 2HD ARG 1 1.200 -4.197 -1.029 8 HD3 ARG 1 3HD ARG 1 2.844 -4.509 -0.473 9 HE ARG 1 HE ARG 1 2.004 -5.149 1.564 10 HH11 ARG 1 1HH1 ARG 1 -0.483 -3.538 -0.263 11 HH12 ARG 1 2HH1 ARG 1 -1.748 -3.952 0.846 12 HH21 ARG 1 1HH2 ARG 1 0.347 -5.701 3.032 13 HH22 ARG 1 2HH2 ARG 1 -1.275 -5.182 2.720 14 H ALA 2 H ALA 2 1.701 2.153 -1.787 15 HA ALA 2 HA ALA 2 -0.497 1.990 -3.679 16 HB1 ALA 2 1HB ALA 2 -1.165 4.237 -2.144 17 HB2 ALA 2 2HB ALA 2 -2.062 2.724 -2.287 18 HB3 ALA 2 3HB ALA 2 -0.881 2.930 -0.993 19 H LEU 3 H LEU 3 0.891 2.656 -5.288 20 HA LEU 3 HA LEU 3 1.685 5.474 -5.161 21 HB2 LEU 3 2HB LEU 3 3.831 4.982 -6.192 22 HB3 LEU 3 3HB LEU 3 3.672 4.180 -4.630 23 HG LEU 3 HG LEU 3 3.078 2.680 -7.150 24 HD11 LEU 3 1HD1 LEU 3 5.517 1.908 -6.953 25 HD12 LEU 3 2HD1 LEU 3 5.773 3.408 -6.062 26 HD13 LEU 3 3HD1 LEU 3 5.195 3.460 -7.727 27 HD21 LEU 3 1HD2 LEU 3 2.479 1.513 -5.196 28 HD22 LEU 3 2HD2 LEU 3 3.955 1.994 -4.358 29 HD23 LEU 3 3HD2 LEU 3 4.032 0.837 -5.688 30 H ARG 4 H ARG 4 -0.473 3.891 -6.481 31 HA ARG 4 HA ARG 4 0.133 3.848 -9.281 32 HB2 ARG 4 2HB ARG 4 -2.238 3.308 -7.583 33 HB3 ARG 4 3HB ARG 4 -2.557 3.786 -9.245 34 HG2 ARG 4 2HG ARG 4 -2.494 1.387 -9.085 35 HG3 ARG 4 3HG ARG 4 -1.109 1.952 -10.022 36 HD2 ARG 4 2HD ARG 4 0.397 1.459 -8.337 37 HD3 ARG 4 3HD ARG 4 -0.837 1.517 -7.079 38 HE ARG 4 HE ARG 4 -0.040 -0.762 -8.574 39 HH11 ARG 4 1HH1 ARG 4 -2.802 0.754 -7.094 40 HH12 ARG 4 2HH1 ARG 4 -3.652 -0.736 -6.847 41 HH21 ARG 4 1HH2 ARG 4 -1.148 -2.730 -8.254 42 HH22 ARG 4 2HH2 ARG 4 -2.709 -2.717 -7.507 43 H ARG 5 H ARG 5 -1.964 5.902 -7.257 44 HA ARG 5 HA ARG 5 -2.432 7.766 -9.384 45 HB2 ARG 5 2HB ARG 5 -3.517 9.127 -7.582 46 HB3 ARG 5 3HB ARG 5 -4.156 7.497 -7.745 47 HG2 ARG 5 2HG ARG 5 -3.530 6.917 -5.679 48 HG3 ARG 5 3HG ARG 5 -1.970 7.728 -5.819 49 HD2 ARG 5 2HD ARG 5 -2.741 9.655 -4.920 50 HD3 ARG 5 3HD ARG 5 -4.333 9.485 -5.658 51 HE ARG 5 HE ARG 5 -3.825 7.606 -3.541 52 HH11 ARG 5 1HH1 ARG 5 -4.961 10.801 -4.330 53 HH12 ARG 5 2HH1 ARG 5 -5.918 10.957 -2.895 54 HH21 ARG 5 1HH2 ARG 5 -5.081 7.800 -1.647 55 HH22 ARG 5 2HH2 ARG 5 -5.984 9.250 -1.368 56 H LEU 6 H LEU 6 -0.162 7.472 -6.759 57 HA LEU 6 HA LEU 6 0.732 10.174 -6.768 58 HB2 LEU 6 2HB LEU 6 1.080 8.766 -4.840 59 HB3 LEU 6 3HB LEU 6 2.043 7.641 -5.795 60 HG LEU 6 HG LEU 6 3.821 9.252 -5.993 61 HD11 LEU 6 1HD1 LEU 6 3.584 11.407 -4.631 62 HD12 LEU 6 2HD1 LEU 6 1.848 11.110 -4.711 63 HD13 LEU 6 3HD1 LEU 6 2.774 11.327 -6.196 64 HD21 LEU 6 1HD2 LEU 6 4.651 8.954 -3.907 65 HD22 LEU 6 2HD2 LEU 6 3.239 7.907 -3.758 66 HD23 LEU 6 3HD2 LEU 6 3.190 9.550 -3.119 67 H ALA 7 H ALA 7 2.460 7.232 -7.818 68 HA ALA 7 HA ALA 7 4.498 8.507 -9.203 69 HB1 ALA 7 1HB ALA 7 4.949 6.405 -10.250 70 HB2 ALA 7 2HB ALA 7 4.416 6.089 -8.598 71 HB3 ALA 7 3HB ALA 7 3.306 5.842 -9.945 72 H ARG 8 H ARG 8 1.202 7.942 -10.127 73 HA ARG 8 HA ARG 8 1.385 8.102 -12.903 74 HB2 ARG 8 2HB ARG 8 -0.692 7.472 -11.901 75 HB3 ARG 8 3HB ARG 8 -0.788 8.981 -11.005 76 HG2 ARG 8 2HG ARG 8 -1.077 10.206 -13.104 77 HG3 ARG 8 3HG ARG 8 -0.998 8.683 -13.994 78 HD2 ARG 8 2HD ARG 8 -3.007 9.129 -11.809 79 HD3 ARG 8 3HD ARG 8 -3.313 9.657 -13.463 80 HE ARG 8 HE ARG 8 -3.418 6.983 -12.468 81 HH11 ARG 8 1HH1 ARG 8 -2.743 8.912 -15.286 82 HH12 ARG 8 2HH1 ARG 8 -3.129 7.646 -16.405 83 HH21 ARG 8 1HH2 ARG 8 -3.929 5.309 -13.931 84 HH22 ARG 8 2HH2 ARG 8 -3.804 5.598 -15.633 85 H LYS 9 H LYS 9 0.482 10.765 -10.704 86 HA LYS 9 HA LYS 9 0.700 12.799 -12.615 87 HB2 LYS 9 2HB LYS 9 0.882 14.324 -10.622 88 HB3 LYS 9 3HB LYS 9 -0.502 13.238 -10.602 89 HG2 LYS 9 2HG LYS 9 0.629 11.774 -9.042 90 HG3 LYS 9 3HG LYS 9 2.073 12.787 -9.107 91 HD2 LYS 9 2HD LYS 9 1.152 14.419 -7.812 92 HD3 LYS 9 3HD LYS 9 -0.486 14.107 -8.393 93 HE2 LYS 9 2HE LYS 9 -0.506 12.016 -7.063 94 HE3 LYS 9 3HE LYS 9 1.080 12.444 -6.422 95 HZ1 LYS 9 1HZ LYS 9 -0.364 14.666 -5.938 96 HZ2 LYS 9 2HZ LYS 9 -0.088 13.433 -4.815 97 HZ3 LYS 9 3HZ LYS 9 -1.522 13.455 -5.711 98 H ILE 10 H ILE 10 3.076 11.446 -10.386 99 HA ILE 10 HA ILE 10 5.119 13.319 -10.756 100 HB ILE 10 HB ILE 10 5.393 10.361 -10.208 101 HG12 ILE 10 2HG1 ILE 10 5.475 12.627 -8.218 102 HG13 ILE 10 3HG1 ILE 10 3.988 11.772 -8.610 103 HG21 ILE 10 1HG2 ILE 10 7.536 11.346 -9.043 104 HG22 ILE 10 2HG2 ILE 10 7.537 10.938 -10.758 105 HG23 ILE 10 3HG2 ILE 10 7.334 12.615 -10.251 106 HD11 ILE 10 1HD1 ILE 10 6.436 10.326 -7.668 107 HD12 ILE 10 2HD1 ILE 10 5.269 11.028 -6.547 108 HD13 ILE 10 3HD1 ILE 10 4.760 9.775 -7.679 109 H ALA 11 H ALA 11 4.861 10.099 -12.278 110 HA ALA 11 HA ALA 11 6.925 10.382 -14.101 111 HB1 ALA 11 1HB ALA 11 6.091 8.493 -15.190 112 HB2 ALA 11 2HB ALA 11 5.527 8.312 -13.528 113 HB3 ALA 11 3HB ALA 11 4.420 8.879 -14.778 114 H HIS 12 H HIS 12 3.465 11.068 -14.598 115 HA HIS 12 HA HIS 12 3.608 11.917 -17.242 116 HB2 HIS 12 2HB HIS 12 1.612 11.685 -15.382 117 HB3 HIS 12 3HB HIS 12 1.719 13.433 -15.573 118 HD1 HIS 12 HD1 HIS 12 0.303 10.460 -17.107 119 HD2 HIS 12 HD2 HIS 12 1.375 14.272 -18.363 120 HE1 HIS 12 HE1 HIS 12 -0.875 10.800 -19.303 121 H ALA 13 H ALA 13 3.644 13.948 -14.308 122 HA ALA 13 HA ALA 13 4.037 16.406 -15.495 123 HB1 ALA 13 1HB ALA 13 3.573 16.148 -13.124 124 HB2 ALA 13 2HB ALA 13 5.167 15.438 -12.872 125 HB3 ALA 13 3HB ALA 13 5.022 17.124 -13.367 126 H VAL 14 H VAL 14 6.444 13.956 -14.652 127 HA VAL 14 HA VAL 14 8.699 15.543 -15.375 128 HB VAL 14 HB VAL 14 8.450 12.546 -15.089 129 HG11 VAL 14 1HG1 VAL 14 10.752 14.332 -15.693 130 HG12 VAL 14 2HG1 VAL 14 11.019 12.929 -14.657 131 HG13 VAL 14 3HG1 VAL 14 10.391 12.713 -16.291 132 HG21 VAL 14 1HG2 VAL 14 8.382 12.941 -12.904 133 HG22 VAL 14 2HG2 VAL 14 9.980 13.679 -13.019 134 HG23 VAL 14 3HG2 VAL 14 8.535 14.677 -13.175 135 H LYS 15 H LYS 15 6.557 13.391 -17.091 136 HA LYS 15 HA LYS 15 8.244 13.172 -19.414 137 HB2 LYS 15 2HB LYS 15 5.349 12.436 -18.955 138 HB3 LYS 15 3HB LYS 15 6.233 12.095 -20.436 139 HG2 LYS 15 2HG LYS 15 7.465 10.430 -19.485 140 HG3 LYS 15 3HG LYS 15 7.386 11.141 -17.871 141 HD2 LYS 15 2HD LYS 15 5.083 10.446 -17.635 142 HD3 LYS 15 3HD LYS 15 5.062 9.844 -19.295 143 HE2 LYS 15 2HE LYS 15 6.628 8.120 -18.762 144 HE3 LYS 15 3HE LYS 15 6.922 8.805 -17.164 145 HZ1 LYS 15 1HZ LYS 15 5.452 7.167 -16.643 146 HZ2 LYS 15 2HZ LYS 15 4.642 7.241 -18.126 147 HZ3 LYS 15 3HZ LYS 15 4.351 8.416 -16.945 148 H LYS 16 H LYS 16 6.098 15.491 -18.196 149 HA LYS 16 HA LYS 16 5.582 16.627 -20.852 150 HB2 LYS 16 2HB LYS 16 3.613 16.403 -19.462 151 HB3 LYS 16 3HB LYS 16 4.400 17.260 -18.143 152 HG2 LYS 16 2HG LYS 16 4.521 19.266 -19.631 153 HG3 LYS 16 3HG LYS 16 3.527 18.385 -20.793 154 HD2 LYS 16 2HD LYS 16 1.881 18.064 -18.857 155 HD3 LYS 16 3HD LYS 16 2.804 19.321 -18.030 156 HE2 LYS 16 2HE LYS 16 2.144 20.959 -19.500 157 HE3 LYS 16 3HE LYS 16 1.870 19.819 -20.816 158 HZ1 LYS 16 1HZ LYS 16 0.159 19.852 -18.403 159 HZ2 LYS 16 2HZ LYS 16 -0.168 19.166 -19.914 160 HZ3 LYS 16 3HZ LYS 16 -0.160 20.848 -19.734 161 H TYR 17 H TYR 17 6.769 17.586 -17.637 162 HA TYR 17 HA TYR 17 7.565 20.181 -18.320 163 HB2 TYR 17 2HB TYR 17 8.156 18.282 -16.124 164 HB3 TYR 17 3HB TYR 17 9.322 19.578 -16.362 165 HD1 TYR 17 HD1 TYR 17 5.766 18.852 -15.647 166 HD2 TYR 17 HD2 TYR 17 8.830 21.804 -15.704 167 HE1 TYR 17 HE1 TYR 17 4.302 20.388 -14.403 168 HE2 TYR 17 HE2 TYR 17 7.375 23.347 -14.460 169 HH TYR 17 HH TYR 17 5.288 23.713 -13.716 170 H GLY 18 H GLY 18 9.681 17.334 -17.881 171 HA2 GLY 18 2HA GLY 18 11.589 16.701 -19.001 172 HA3 GLY 18 3HA GLY 18 11.140 17.826 -20.274 Start of MODEL 19 1 H1 ARG 1 H ARG 1 1.024 -1.891 -3.441 2 HA ARG 1 HA ARG 1 1.051 -0.808 -1.390 3 HB2 ARG 1 2HB ARG 1 3.411 0.257 -2.939 4 HB3 ARG 1 3HB ARG 1 3.190 0.552 -1.219 5 HG2 ARG 1 2HG ARG 1 3.008 -2.021 -1.044 6 HG3 ARG 1 3HG ARG 1 3.775 -2.012 -2.633 7 HD2 ARG 1 2HD ARG 1 5.600 -2.145 -1.229 8 HD3 ARG 1 3HD ARG 1 5.480 -0.407 -1.502 9 HE ARG 1 HE ARG 1 5.063 -0.145 0.723 10 HH11 ARG 1 1HH1 ARG 1 4.363 -3.440 -0.158 11 HH12 ARG 1 2HH1 ARG 1 4.048 -3.945 1.469 12 HH21 ARG 1 1HH2 ARG 1 4.650 -0.798 2.869 13 HH22 ARG 1 2HH2 ARG 1 4.211 -2.441 3.190 14 H ALA 2 H ALA 2 -0.697 0.535 -3.287 15 HA ALA 2 HA ALA 2 -1.914 2.453 -3.440 16 HB1 ALA 2 1HB ALA 2 -2.067 3.868 -1.538 17 HB2 ALA 2 2HB ALA 2 -1.820 2.227 -0.939 18 HB3 ALA 2 3HB ALA 2 -0.477 3.370 -0.959 19 H LEU 3 H LEU 3 0.010 2.494 -5.202 20 HA LEU 3 HA LEU 3 1.043 5.243 -5.093 21 HB2 LEU 3 2HB LEU 3 3.122 4.560 -6.105 22 HB3 LEU 3 3HB LEU 3 2.870 3.686 -4.595 23 HG LEU 3 HG LEU 3 1.851 2.113 -6.748 24 HD11 LEU 3 1HD1 LEU 3 3.466 2.040 -8.321 25 HD12 LEU 3 2HD1 LEU 3 4.752 2.421 -7.177 26 HD13 LEU 3 3HD1 LEU 3 3.729 3.708 -7.812 27 HD21 LEU 3 1HD2 LEU 3 4.391 1.373 -5.458 28 HD22 LEU 3 2HD2 LEU 3 2.885 0.467 -5.611 29 HD23 LEU 3 3HD2 LEU 3 3.048 1.704 -4.363 30 H ARG 4 H ARG 4 -1.294 3.938 -6.388 31 HA ARG 4 HA ARG 4 -0.769 3.769 -9.185 32 HB2 ARG 4 2HB ARG 4 -3.225 3.834 -7.481 33 HB3 ARG 4 3HB ARG 4 -3.382 4.094 -9.212 34 HG2 ARG 4 2HG ARG 4 -3.732 1.817 -8.970 35 HG3 ARG 4 3HG ARG 4 -2.038 1.920 -9.455 36 HD2 ARG 4 2HD ARG 4 -1.268 1.427 -7.317 37 HD3 ARG 4 3HD ARG 4 -2.793 1.884 -6.559 38 HE ARG 4 HE ARG 4 -2.976 -0.394 -8.314 39 HH11 ARG 4 1HH1 ARG 4 -2.342 0.706 -5.072 40 HH12 ARG 4 2HH1 ARG 4 -2.742 -0.813 -4.339 41 HH21 ARG 4 1HH2 ARG 4 -3.504 -2.398 -7.361 42 HH22 ARG 4 2HH2 ARG 4 -3.402 -2.578 -5.642 43 H ARG 5 H ARG 5 -2.793 6.119 -7.420 44 HA ARG 5 HA ARG 5 -2.761 8.004 -9.538 45 HB2 ARG 5 2HB ARG 5 -3.725 9.557 -7.812 46 HB3 ARG 5 3HB ARG 5 -4.602 8.048 -8.020 47 HG2 ARG 5 2HG ARG 5 -4.104 7.308 -5.943 48 HG3 ARG 5 3HG ARG 5 -2.520 8.088 -5.926 49 HD2 ARG 5 2HD ARG 5 -3.335 10.029 -5.089 50 HD3 ARG 5 3HD ARG 5 -4.866 9.881 -5.951 51 HE ARG 5 HE ARG 5 -4.339 9.085 -3.279 52 HH11 ARG 5 1HH1 ARG 5 -6.139 8.199 -6.124 53 HH12 ARG 5 2HH1 ARG 5 -7.386 7.382 -5.240 54 HH21 ARG 5 1HH2 ARG 5 -5.974 8.012 -2.104 55 HH22 ARG 5 2HH2 ARG 5 -7.291 7.277 -2.954 56 H LEU 6 H LEU 6 -0.721 7.455 -6.768 57 HA LEU 6 HA LEU 6 0.546 9.982 -6.696 58 HB2 LEU 6 2HB LEU 6 0.620 8.377 -4.846 59 HB3 LEU 6 3HB LEU 6 1.592 7.288 -5.834 60 HG LEU 6 HG LEU 6 3.446 8.822 -5.793 61 HD11 LEU 6 1HD1 LEU 6 3.260 10.885 -4.342 62 HD12 LEU 6 2HD1 LEU 6 1.512 10.664 -4.415 63 HD13 LEU 6 3HD1 LEU 6 2.427 10.945 -5.896 64 HD21 LEU 6 1HD2 LEU 6 4.002 7.844 -3.882 65 HD22 LEU 6 2HD2 LEU 6 2.303 7.627 -3.460 66 HD23 LEU 6 3HD2 LEU 6 3.141 9.112 -3.009 67 H ALA 7 H ALA 7 1.908 6.883 -7.829 68 HA ALA 7 HA ALA 7 4.128 7.930 -9.118 69 HB1 ALA 7 1HB ALA 7 4.267 5.827 -10.312 70 HB2 ALA 7 2HB ALA 7 3.798 5.539 -8.636 71 HB3 ALA 7 3HB ALA 7 2.587 5.464 -9.916 72 H ARG 8 H ARG 8 0.811 7.834 -10.138 73 HA ARG 8 HA ARG 8 1.167 8.145 -12.909 74 HB2 ARG 8 2HB ARG 8 -0.991 7.538 -12.039 75 HB3 ARG 8 3HB ARG 8 -1.075 9.012 -11.083 76 HG2 ARG 8 2HG ARG 8 -2.501 9.214 -13.005 77 HG3 ARG 8 3HG ARG 8 -1.140 10.326 -13.166 78 HD2 ARG 8 2HD ARG 8 -0.019 8.753 -14.654 79 HD3 ARG 8 3HD ARG 8 -1.354 7.616 -14.472 80 HE ARG 8 HE ARG 8 -2.470 9.970 -15.380 81 HH11 ARG 8 1HH1 ARG 8 -0.103 7.676 -16.500 82 HH12 ARG 8 2HH1 ARG 8 -0.434 7.956 -18.177 83 HH21 ARG 8 1HH2 ARG 8 -2.915 10.347 -17.585 84 HH22 ARG 8 2HH2 ARG 8 -2.033 9.476 -18.794 85 H LYS 9 H LYS 9 0.223 10.665 -10.564 86 HA LYS 9 HA LYS 9 0.611 12.845 -12.239 87 HB2 LYS 9 2HB LYS 9 0.856 14.165 -10.115 88 HB3 LYS 9 3HB LYS 9 -0.574 13.143 -10.186 89 HG2 LYS 9 2HG LYS 9 0.515 11.487 -8.782 90 HG3 LYS 9 3HG LYS 9 1.983 12.466 -8.744 91 HD2 LYS 9 2HD LYS 9 0.886 12.953 -6.727 92 HD3 LYS 9 3HD LYS 9 0.515 14.320 -7.780 93 HE2 LYS 9 2HE LYS 9 -1.598 12.939 -8.390 94 HE3 LYS 9 3HE LYS 9 -1.252 12.072 -6.895 95 HZ1 LYS 9 1HZ LYS 9 -2.393 13.686 -5.905 96 HZ2 LYS 9 2HZ LYS 9 -2.358 14.688 -7.268 97 HZ3 LYS 9 3HZ LYS 9 -1.059 14.689 -6.185 98 H ILE 10 H ILE 10 2.905 11.168 -10.148 99 HA ILE 10 HA ILE 10 5.042 12.975 -10.394 100 HB ILE 10 HB ILE 10 5.158 9.986 -9.971 101 HG12 ILE 10 2HG1 ILE 10 5.377 12.134 -7.869 102 HG13 ILE 10 3HG1 ILE 10 3.824 11.445 -8.328 103 HG21 ILE 10 1HG2 ILE 10 7.341 10.807 -8.754 104 HG22 ILE 10 2HG2 ILE 10 7.334 10.474 -10.485 105 HG23 ILE 10 3HG2 ILE 10 7.215 12.135 -9.907 106 HD11 ILE 10 1HD1 ILE 10 6.172 9.923 -7.222 107 HD12 ILE 10 2HD1 ILE 10 4.712 10.375 -6.341 108 HD13 ILE 10 3HD1 ILE 10 4.616 9.232 -7.681 109 H ALA 11 H ALA 11 4.543 9.877 -12.097 110 HA ALA 11 HA ALA 11 6.663 10.117 -13.885 111 HB1 ALA 11 1HB ALA 11 5.706 8.342 -15.089 112 HB2 ALA 11 2HB ALA 11 5.201 8.086 -13.418 113 HB3 ALA 11 3HB ALA 11 4.071 8.770 -14.586 114 H HIS 12 H HIS 12 3.257 11.057 -14.308 115 HA HIS 12 HA HIS 12 3.417 11.982 -16.926 116 HB2 HIS 12 2HB HIS 12 1.439 11.829 -15.045 117 HB3 HIS 12 3HB HIS 12 1.678 13.570 -15.159 118 HD1 HIS 12 HD1 HIS 12 0.035 14.536 -16.716 119 HD2 HIS 12 HD2 HIS 12 1.335 10.799 -17.985 120 HE1 HIS 12 HE1 HIS 12 -1.152 14.115 -18.892 121 H ALA 13 H ALA 13 3.614 13.926 -13.939 122 HA ALA 13 HA ALA 13 4.197 16.374 -15.067 123 HB1 ALA 13 1HB ALA 13 3.706 16.093 -12.702 124 HB2 ALA 13 2HB ALA 13 5.245 15.264 -12.466 125 HB3 ALA 13 3HB ALA 13 5.222 16.967 -12.922 126 H VAL 14 H VAL 14 6.412 13.734 -14.268 127 HA VAL 14 HA VAL 14 8.783 15.159 -14.948 128 HB VAL 14 HB VAL 14 8.303 12.182 -14.753 129 HG11 VAL 14 1HG1 VAL 14 10.739 13.805 -15.291 130 HG12 VAL 14 2HG1 VAL 14 10.891 12.353 -14.299 131 HG13 VAL 14 3HG1 VAL 14 10.259 12.238 -15.942 132 HG21 VAL 14 1HG2 VAL 14 8.345 12.446 -12.550 133 HG22 VAL 14 2HG2 VAL 14 9.913 13.246 -12.657 134 HG23 VAL 14 3HG2 VAL 14 8.431 14.194 -12.767 135 H LYS 15 H LYS 15 6.497 13.211 -16.729 136 HA LYS 15 HA LYS 15 8.176 12.959 -19.058 137 HB2 LYS 15 2HB LYS 15 5.248 12.364 -18.606 138 HB3 LYS 15 3HB LYS 15 6.100 12.033 -20.109 139 HG2 LYS 15 2HG LYS 15 7.259 10.275 -19.230 140 HG3 LYS 15 3HG LYS 15 7.216 10.924 -17.589 141 HD2 LYS 15 2HD LYS 15 5.732 9.176 -17.409 142 HD3 LYS 15 3HD LYS 15 4.640 10.502 -17.816 143 HE2 LYS 15 2HE LYS 15 4.049 8.628 -19.171 144 HE3 LYS 15 3HE LYS 15 4.830 9.819 -20.211 145 HZ1 LYS 15 1HZ LYS 15 6.180 8.198 -20.845 146 HZ2 LYS 15 2HZ LYS 15 5.599 7.140 -19.660 147 HZ3 LYS 15 3HZ LYS 15 6.859 8.208 -19.295 148 H LYS 16 H LYS 16 6.179 15.364 -17.767 149 HA LYS 16 HA LYS 16 5.709 16.598 -20.386 150 HB2 LYS 16 2HB LYS 16 3.758 16.431 -18.930 151 HB3 LYS 16 3HB LYS 16 4.611 17.289 -17.654 152 HG2 LYS 16 2HG LYS 16 4.803 19.218 -19.304 153 HG3 LYS 16 3HG LYS 16 3.604 18.355 -20.270 154 HD2 LYS 16 2HD LYS 16 3.257 19.236 -17.404 155 HD3 LYS 16 3HD LYS 16 2.561 20.032 -18.817 156 HE2 LYS 16 2HE LYS 16 1.495 17.755 -19.326 157 HE3 LYS 16 3HE LYS 16 1.913 17.337 -17.665 158 HZ1 LYS 16 1HZ LYS 16 0.515 18.997 -16.828 159 HZ2 LYS 16 2HZ LYS 16 -0.385 18.274 -18.063 160 HZ3 LYS 16 3HZ LYS 16 0.362 19.768 -18.326 161 H TYR 17 H TYR 17 7.158 17.245 -17.222 162 HA TYR 17 HA TYR 17 8.087 19.851 -17.894 163 HB2 TYR 17 2HB TYR 17 8.434 17.960 -15.638 164 HB3 TYR 17 3HB TYR 17 9.713 19.148 -15.860 165 HD1 TYR 17 HD1 TYR 17 6.144 18.678 -15.104 166 HD2 TYR 17 HD2 TYR 17 9.328 21.482 -15.424 167 HE1 TYR 17 HE1 TYR 17 4.772 20.359 -13.947 168 HE2 TYR 17 HE2 TYR 17 7.965 23.171 -14.267 169 HH TYR 17 HH TYR 17 4.606 22.519 -13.368 170 H GLY 18 H GLY 18 9.620 16.649 -17.800 171 HA2 GLY 18 2HA GLY 18 11.173 16.534 -19.890 172 HA3 GLY 18 3HA GLY 18 12.034 17.793 -19.017 Start of MODEL 20 1 H1 ARG 1 H ARG 1 4.324 1.160 -1.058 2 HA ARG 1 HA ARG 1 1.945 -0.052 -1.937 3 HB2 ARG 1 2HB ARG 1 3.041 -0.134 0.385 4 HB3 ARG 1 3HB ARG 1 2.224 1.393 0.689 5 HG2 ARG 1 2HG ARG 1 0.692 -0.053 1.547 6 HG3 ARG 1 3HG ARG 1 0.116 0.038 -0.118 7 HD2 ARG 1 2HD ARG 1 2.121 -2.038 0.656 8 HD3 ARG 1 3HD ARG 1 0.417 -2.280 1.037 9 HE ARG 1 HE ARG 1 0.394 -1.627 -1.595 10 HH11 ARG 1 1HH1 ARG 1 2.097 -4.010 0.287 11 HH12 ARG 1 2HH1 ARG 1 2.195 -5.155 -1.011 12 HH21 ARG 1 1HH2 ARG 1 0.516 -3.125 -3.311 13 HH22 ARG 1 2HH2 ARG 1 1.296 -4.650 -3.057 14 H ALA 2 H ALA 2 0.119 0.767 -2.722 15 HA ALA 2 HA ALA 2 -1.467 2.248 -3.408 16 HB1 ALA 2 1HB ALA 2 -0.728 3.962 -1.054 17 HB2 ALA 2 2HB ALA 2 -2.300 3.777 -1.832 18 HB3 ALA 2 3HB ALA 2 -1.630 2.457 -0.875 19 H LEU 3 H LEU 3 0.838 2.510 -4.784 20 HA LEU 3 HA LEU 3 1.321 5.408 -4.953 21 HB2 LEU 3 2HB LEU 3 3.390 4.880 -6.083 22 HB3 LEU 3 3HB LEU 3 3.306 4.042 -4.535 23 HG LEU 3 HG LEU 3 2.313 2.341 -6.628 24 HD11 LEU 3 1HD1 LEU 3 3.609 3.316 -8.267 25 HD12 LEU 3 2HD1 LEU 3 4.697 2.084 -7.630 26 HD13 LEU 3 3HD1 LEU 3 4.887 3.767 -7.140 27 HD21 LEU 3 1HD2 LEU 3 4.901 1.772 -5.353 28 HD22 LEU 3 2HD2 LEU 3 3.441 0.787 -5.456 29 HD23 LEU 3 3HD2 LEU 3 3.560 2.063 -4.244 30 H ARG 4 H ARG 4 -0.982 3.962 -6.078 31 HA ARG 4 HA ARG 4 -0.618 3.708 -8.892 32 HB2 ARG 4 2HB ARG 4 -2.948 3.709 -7.029 33 HB3 ARG 4 3HB ARG 4 -3.255 3.969 -8.741 34 HG2 ARG 4 2HG ARG 4 -3.501 1.629 -8.160 35 HG3 ARG 4 3HG ARG 4 -2.145 1.859 -9.265 36 HD2 ARG 4 2HD ARG 4 -0.578 1.712 -7.429 37 HD3 ARG 4 3HD ARG 4 -1.903 1.609 -6.270 38 HE ARG 4 HE ARG 4 -2.118 -0.615 -6.767 39 HH11 ARG 4 1HH1 ARG 4 -0.202 0.925 -9.232 40 HH12 ARG 4 2HH1 ARG 4 0.231 -0.562 -10.008 41 HH21 ARG 4 1HH2 ARG 4 -1.554 -2.580 -7.779 42 HH22 ARG 4 2HH2 ARG 4 -0.539 -2.555 -9.181 43 H ARG 5 H ARG 5 -2.526 6.087 -7.033 44 HA ARG 5 HA ARG 5 -2.705 7.880 -9.248 45 HB2 ARG 5 2HB ARG 5 -3.673 9.449 -7.547 46 HB3 ARG 5 3HB ARG 5 -4.485 7.893 -7.652 47 HG2 ARG 5 2HG ARG 5 -3.961 7.335 -5.548 48 HG3 ARG 5 3HG ARG 5 -2.332 8.004 -5.670 49 HD2 ARG 5 2HD ARG 5 -2.983 10.078 -4.969 50 HD3 ARG 5 3HD ARG 5 -4.612 9.905 -5.621 51 HE ARG 5 HE ARG 5 -3.765 9.299 -2.977 52 HH11 ARG 5 1HH1 ARG 5 -5.946 8.284 -5.494 53 HH12 ARG 5 2HH1 ARG 5 -7.094 7.588 -4.398 54 HH21 ARG 5 1HH2 ARG 5 -5.268 8.385 -1.525 55 HH22 ARG 5 2HH2 ARG 5 -6.707 7.647 -2.141 56 H LEU 6 H LEU 6 -0.536 7.493 -6.552 57 HA LEU 6 HA LEU 6 0.633 10.073 -6.621 58 HB2 LEU 6 2HB LEU 6 0.802 8.509 -4.716 59 HB3 LEU 6 3HB LEU 6 1.846 7.475 -5.688 60 HG LEU 6 HG LEU 6 3.575 9.148 -5.707 61 HD11 LEU 6 1HD1 LEU 6 3.174 11.204 -4.200 62 HD12 LEU 6 2HD1 LEU 6 1.464 10.868 -4.465 63 HD13 LEU 6 3HD1 LEU 6 2.518 11.208 -5.838 64 HD21 LEU 6 1HD2 LEU 6 4.167 8.158 -3.805 65 HD22 LEU 6 2HD2 LEU 6 2.491 8.018 -3.272 66 HD23 LEU 6 3HD2 LEU 6 3.396 9.501 -2.962 67 H ALA 7 H ALA 7 1.978 6.956 -7.730 68 HA ALA 7 HA ALA 7 4.168 7.983 -9.092 69 HB1 ALA 7 1HB ALA 7 4.295 5.863 -10.233 70 HB2 ALA 7 2HB ALA 7 3.820 5.594 -8.555 71 HB3 ALA 7 3HB ALA 7 2.612 5.510 -9.837 72 H ARG 8 H ARG 8 0.824 7.904 -9.999 73 HA ARG 8 HA ARG 8 1.113 8.174 -12.792 74 HB2 ARG 8 2HB ARG 8 -1.016 7.540 -11.875 75 HB3 ARG 8 3HB ARG 8 -1.101 9.014 -10.919 76 HG2 ARG 8 2HG ARG 8 -2.573 9.160 -12.829 77 HG3 ARG 8 3HG ARG 8 -1.261 10.331 -12.980 78 HD2 ARG 8 2HD ARG 8 -1.707 9.200 -15.103 79 HD3 ARG 8 3HD ARG 8 -0.087 8.841 -14.505 80 HE ARG 8 HE ARG 8 -2.024 6.883 -13.722 81 HH11 ARG 8 1HH1 ARG 8 0.094 7.908 -16.287 82 HH12 ARG 8 2HH1 ARG 8 0.226 6.329 -16.986 83 HH21 ARG 8 1HH2 ARG 8 -1.858 4.798 -14.633 84 HH22 ARG 8 2HH2 ARG 8 -0.886 4.560 -16.045 85 H LYS 9 H LYS 9 0.199 10.691 -10.431 86 HA LYS 9 HA LYS 9 0.493 12.873 -12.118 87 HB2 LYS 9 2HB LYS 9 0.783 14.207 -10.023 88 HB3 LYS 9 3HB LYS 9 -0.606 13.128 -10.000 89 HG2 LYS 9 2HG LYS 9 0.586 11.553 -8.619 90 HG3 LYS 9 3HG LYS 9 2.054 12.527 -8.722 91 HD2 LYS 9 2HD LYS 9 -0.476 13.727 -7.668 92 HD3 LYS 9 3HD LYS 9 0.527 12.717 -6.624 93 HE2 LYS 9 2HE LYS 9 1.632 15.046 -8.173 94 HE3 LYS 9 3HE LYS 9 0.953 15.223 -6.555 95 HZ1 LYS 9 1HZ LYS 9 3.497 14.778 -6.926 96 HZ2 LYS 9 2HZ LYS 9 2.992 13.164 -6.977 97 HZ3 LYS 9 3HZ LYS 9 2.677 14.106 -5.608 98 H ILE 10 H ILE 10 2.900 11.174 -10.195 99 HA ILE 10 HA ILE 10 5.002 13.033 -10.526 100 HB ILE 10 HB ILE 10 5.173 10.052 -10.063 101 HG12 ILE 10 2HG1 ILE 10 5.469 12.226 -8.000 102 HG13 ILE 10 3HG1 ILE 10 3.897 11.535 -8.387 103 HG21 ILE 10 1HG2 ILE 10 7.397 10.912 -8.959 104 HG22 ILE 10 2HG2 ILE 10 7.317 10.562 -10.685 105 HG23 ILE 10 3HG2 ILE 10 7.204 12.228 -10.118 106 HD11 ILE 10 1HD1 ILE 10 6.278 9.975 -7.415 107 HD12 ILE 10 2HD1 ILE 10 4.926 10.509 -6.415 108 HD13 ILE 10 3HD1 ILE 10 4.657 9.346 -7.714 109 H ALA 11 H ALA 11 4.493 9.890 -12.143 110 HA ALA 11 HA ALA 11 6.517 10.136 -14.034 111 HB1 ALA 11 1HB ALA 11 5.569 8.306 -15.132 112 HB2 ALA 11 2HB ALA 11 5.075 8.100 -13.451 113 HB3 ALA 11 3HB ALA 11 3.933 8.737 -14.634 114 H HIS 12 H HIS 12 3.072 10.979 -14.342 115 HA HIS 12 HA HIS 12 3.110 11.871 -16.973 116 HB2 HIS 12 2HB HIS 12 1.198 11.673 -15.053 117 HB3 HIS 12 3HB HIS 12 1.402 13.420 -15.128 118 HD1 HIS 12 HD1 HIS 12 -0.894 11.239 -16.311 119 HD2 HIS 12 HD2 HIS 12 1.606 13.887 -18.310 120 HE1 HIS 12 HE1 HIS 12 -1.994 11.654 -18.534 121 H ALA 13 H ALA 13 3.373 13.863 -14.023 122 HA ALA 13 HA ALA 13 3.844 16.309 -15.206 123 HB1 ALA 13 1HB ALA 13 3.457 16.055 -12.822 124 HB2 ALA 13 2HB ALA 13 5.021 15.260 -12.635 125 HB3 ALA 13 3HB ALA 13 4.945 16.957 -13.112 126 H VAL 14 H VAL 14 6.157 13.736 -14.472 127 HA VAL 14 HA VAL 14 8.459 15.215 -15.267 128 HB VAL 14 HB VAL 14 8.068 12.231 -15.000 129 HG11 VAL 14 1HG1 VAL 14 10.437 13.905 -15.672 130 HG12 VAL 14 2HG1 VAL 14 10.668 12.472 -14.667 131 HG13 VAL 14 3HG1 VAL 14 9.967 12.317 -16.279 132 HG21 VAL 14 1HG2 VAL 14 8.195 12.543 -12.806 133 HG22 VAL 14 2HG2 VAL 14 9.742 13.368 -12.997 134 HG23 VAL 14 3HG2 VAL 14 8.238 14.287 -13.060 135 H LYS 15 H LYS 15 6.147 13.196 -16.922 136 HA LYS 15 HA LYS 15 7.738 12.941 -19.314 137 HB2 LYS 15 2HB LYS 15 4.848 12.276 -18.729 138 HB3 LYS 15 3HB LYS 15 5.644 11.944 -20.262 139 HG2 LYS 15 2HG LYS 15 6.902 10.240 -19.403 140 HG3 LYS 15 3HG LYS 15 6.882 10.903 -17.767 141 HD2 LYS 15 2HD LYS 15 4.625 10.196 -17.431 142 HD3 LYS 15 3HD LYS 15 4.453 9.752 -19.130 143 HE2 LYS 15 2HE LYS 15 6.250 8.436 -17.097 144 HE3 LYS 15 3HE LYS 15 4.767 7.767 -17.776 145 HZ1 LYS 15 1HZ LYS 15 7.394 8.124 -19.049 146 HZ2 LYS 15 2HZ LYS 15 6.002 8.110 -20.009 147 HZ3 LYS 15 3HZ LYS 15 6.379 6.770 -19.049 148 H LYS 16 H LYS 16 5.714 15.306 -17.980 149 HA LYS 16 HA LYS 16 5.104 16.484 -20.595 150 HB2 LYS 16 2HB LYS 16 3.235 16.281 -19.021 151 HB3 LYS 16 3HB LYS 16 4.122 17.227 -17.832 152 HG2 LYS 16 2HG LYS 16 4.075 19.155 -19.340 153 HG3 LYS 16 3HG LYS 16 3.164 18.204 -20.516 154 HD2 LYS 16 2HD LYS 16 1.435 19.260 -19.461 155 HD3 LYS 16 3HD LYS 16 1.571 17.831 -18.434 156 HE2 LYS 16 2HE LYS 16 1.477 19.566 -16.897 157 HE3 LYS 16 3HE LYS 16 3.209 19.272 -17.049 158 HZ1 LYS 16 1HZ LYS 16 1.634 21.567 -17.901 159 HZ2 LYS 16 2HZ LYS 16 2.887 21.096 -18.935 160 HZ3 LYS 16 3HZ LYS 16 3.224 21.497 -17.326 161 H TYR 17 H TYR 17 6.525 17.358 -17.454 162 HA TYR 17 HA TYR 17 7.364 19.936 -18.147 163 HB2 TYR 17 2HB TYR 17 8.024 17.980 -16.027 164 HB3 TYR 17 3HB TYR 17 9.235 19.221 -16.330 165 HD1 TYR 17 HD1 TYR 17 5.700 18.667 -15.386 166 HD2 TYR 17 HD2 TYR 17 8.910 21.452 -15.600 167 HE1 TYR 17 HE1 TYR 17 4.406 20.253 -14.024 168 HE2 TYR 17 HE2 TYR 17 7.625 23.046 -14.237 169 HH TYR 17 HH TYR 17 5.798 23.330 -12.968 170 H GLY 18 H GLY 18 9.089 16.833 -18.325 171 HA2 GLY 18 2HA GLY 18 10.665 17.797 -20.542 172 HA3 GLY 18 3HA GLY 18 11.592 17.570 -19.066
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