NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614442 | 5ua8 | 30219 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -11.390 -7.632 -13.749 2 H2 GLY 1 2HT GLY 1 -12.839 -7.775 -12.873 3 H3 GLY 1 3HT GLY 1 -11.416 -7.273 -12.091 4 HA2 GLY 1 2HA GLY 1 -11.735 -5.497 -14.166 5 HA3 GLY 1 1HA GLY 1 -13.351 -5.721 -13.478 6 H VAL 2 H VAL 2 -13.581 -3.848 -12.336 7 HA VAL 2 HA VAL 2 -11.535 -2.605 -10.817 8 HB VAL 2 HB VAL 2 -14.509 -2.340 -10.355 9 HG11 VAL 2 1HG1 VAL 2 -13.936 -0.141 -9.555 10 HG12 VAL 2 2HG1 VAL 2 -12.271 -0.312 -10.111 11 HG13 VAL 2 3HG1 VAL 2 -12.852 -1.280 -8.755 12 HG21 VAL 2 1HG2 VAL 2 -14.100 -2.094 -12.745 13 HG22 VAL 2 2HG2 VAL 2 -12.729 -1.029 -12.434 14 HG23 VAL 2 3HG2 VAL 2 -14.365 -0.496 -12.048 15 H VAL 3 H VAL 3 -14.011 -4.989 -10.037 16 HA VAL 3 HA VAL 3 -13.884 -4.932 -7.250 17 HB VAL 3 HB VAL 3 -14.309 -7.294 -9.095 18 HG11 VAL 3 1HG1 VAL 3 -13.760 -8.160 -6.929 19 HG12 VAL 3 2HG1 VAL 3 -15.520 -8.200 -7.044 20 HG13 VAL 3 3HG1 VAL 3 -14.725 -6.926 -6.120 21 HG21 VAL 3 1HG2 VAL 3 -15.919 -5.437 -9.383 22 HG22 VAL 3 2HG2 VAL 3 -16.249 -5.458 -7.651 23 HG23 VAL 3 3HG2 VAL 3 -16.695 -6.841 -8.651 24 H ASP 4 H ASP 4 -12.033 -7.006 -9.492 25 HA ASP 4 HA ASP 4 -10.423 -8.223 -7.535 26 HB2 ASP 4 2HB ASP 4 -9.300 -9.189 -9.299 27 HB3 ASP 4 1HB ASP 4 -10.761 -8.672 -10.133 28 H ILE 5 H ILE 5 -9.764 -5.427 -9.632 29 HA ILE 5 HA ILE 5 -7.212 -4.793 -8.761 30 HB ILE 5 HB ILE 5 -9.413 -2.873 -9.511 31 HG12 ILE 5 2HG1 ILE 5 -8.417 -4.965 -11.016 32 HG13 ILE 5 1HG1 ILE 5 -9.157 -3.501 -11.669 33 HG21 ILE 5 1HG2 ILE 5 -6.405 -2.616 -9.417 34 HG22 ILE 5 2HG2 ILE 5 -7.591 -1.675 -8.514 35 HG23 ILE 5 3HG2 ILE 5 -7.454 -1.474 -10.260 36 HD11 ILE 5 1HD1 ILE 5 -7.014 -2.450 -11.935 37 HD12 ILE 5 2HD1 ILE 5 -6.901 -4.064 -12.635 38 HD13 ILE 5 3HD1 ILE 5 -6.209 -3.744 -11.046 39 H LEU 6 H LEU 6 -10.289 -4.261 -7.163 40 HA LEU 6 HA LEU 6 -9.515 -2.305 -5.313 41 HB2 LEU 6 2HB LEU 6 -11.595 -2.605 -4.448 42 HB3 LEU 6 1HB LEU 6 -11.835 -3.635 -5.860 43 HG LEU 6 HG LEU 6 -10.933 -5.561 -4.405 44 HD11 LEU 6 1HD1 LEU 6 -10.684 -3.376 -2.539 45 HD12 LEU 6 2HD1 LEU 6 -10.234 -5.065 -2.319 46 HD13 LEU 6 3HD1 LEU 6 -11.862 -4.529 -1.912 47 HD21 LEU 6 1HD2 LEU 6 -13.158 -5.900 -3.367 48 HD22 LEU 6 2HD2 LEU 6 -13.304 -5.313 -5.023 49 HD23 LEU 6 3HD2 LEU 6 -13.549 -4.208 -3.672 50 H LYS 7 H LYS 7 -8.898 -5.738 -5.431 51 HA LYS 7 HA LYS 7 -8.138 -6.107 -2.724 52 HB2 LYS 7 2HB LYS 7 -7.490 -8.235 -3.388 53 HB3 LYS 7 1HB LYS 7 -8.631 -7.806 -4.658 54 HG2 LYS 7 2HG LYS 7 -6.541 -6.881 -5.909 55 HG3 LYS 7 1HG LYS 7 -5.629 -7.894 -4.790 56 HD2 LYS 7 2HD LYS 7 -6.921 -9.859 -5.506 57 HD3 LYS 7 1HD LYS 7 -7.871 -8.843 -6.594 58 HE2 LYS 7 2HE LYS 7 -5.909 -10.127 -7.646 59 HE3 LYS 7 1HE LYS 7 -5.996 -8.400 -7.988 60 HZ1 LYS 7 1HZ LYS 7 -4.280 -7.937 -6.539 61 HZ2 LYS 7 2HZ LYS 7 -3.774 -9.406 -7.226 62 HZ3 LYS 7 3HZ LYS 7 -4.463 -9.383 -5.673 63 H GLY 8 H GLY 8 -6.362 -5.235 -5.633 64 HA2 GLY 8 2HA GLY 8 -3.763 -5.257 -4.521 65 HA3 GLY 8 1HA GLY 8 -4.254 -4.367 -5.966 66 H ALA 9 H ALA 9 -6.363 -2.939 -4.398 67 HA ALA 9 HA ALA 9 -4.918 -0.609 -3.768 68 HB1 ALA 9 1HB ALA 9 -6.981 0.299 -3.030 69 HB2 ALA 9 2HB ALA 9 -7.627 -1.293 -2.632 70 HB3 ALA 9 3HB ALA 9 -7.405 -0.829 -4.319 71 H ALA 10 H ALA 10 -6.466 -2.986 -1.598 72 HA ALA 10 HA ALA 10 -5.677 -1.873 0.832 73 HB1 ALA 10 1HB ALA 10 -7.269 -3.751 0.630 74 HB2 ALA 10 2HB ALA 10 -5.979 -4.115 1.776 75 HB3 ALA 10 3HB ALA 10 -5.944 -4.813 0.157 76 H LYS 11 H LYS 11 -3.905 -3.900 -1.428 77 HA LYS 11 HA LYS 11 -1.678 -4.367 0.318 78 HB2 LYS 11 2HB LYS 11 -2.482 -5.645 -1.860 79 HB3 LYS 11 1HB LYS 11 -1.415 -4.494 -2.663 80 HG2 LYS 11 2HG LYS 11 0.100 -6.192 -2.206 81 HG3 LYS 11 1HG LYS 11 0.271 -5.223 -0.735 82 HD2 LYS 11 2HD LYS 11 -1.604 -6.705 0.239 83 HD3 LYS 11 1HD LYS 11 -1.292 -7.782 -1.123 84 HE2 LYS 11 2HE LYS 11 0.098 -8.625 0.592 85 HE3 LYS 11 1HE LYS 11 1.190 -7.655 -0.397 86 HZ1 LYS 11 1HZ LYS 11 1.354 -7.265 2.046 87 HZ2 LYS 11 2HZ LYS 11 -0.212 -6.607 1.997 88 HZ3 LYS 11 3HZ LYS 11 1.050 -5.870 1.130 89 H ASP 12 H ASP 12 -2.473 -2.011 -2.184 90 HA ASP 12 HA ASP 12 0.118 -0.807 -2.280 91 HB2 ASP 12 2HB ASP 12 -1.456 -0.589 -4.140 92 HB3 ASP 12 1HB ASP 12 -2.589 0.280 -3.096 93 H ILE 13 H ILE 13 -2.971 0.268 -0.830 94 HA ILE 13 HA ILE 13 -1.949 2.543 0.458 95 HB ILE 13 HB ILE 13 -4.322 0.767 1.006 96 HG12 ILE 13 2HG1 ILE 13 -5.381 3.122 0.473 97 HG13 ILE 13 1HG1 ILE 13 -3.803 3.465 -0.242 98 HG21 ILE 13 1HG2 ILE 13 -5.004 2.702 2.577 99 HG22 ILE 13 2HG2 ILE 13 -3.290 3.117 2.600 100 HG23 ILE 13 3HG2 ILE 13 -3.824 1.544 3.190 101 HD11 ILE 13 1HD1 ILE 13 -4.013 1.502 -1.696 102 HD12 ILE 13 2HD1 ILE 13 -5.406 2.560 -1.911 103 HD13 ILE 13 3HD1 ILE 13 -5.556 1.090 -0.949 104 H ALA 14 H ALA 14 -2.391 -0.777 1.668 105 HA ALA 14 HA ALA 14 -1.314 -0.270 4.250 106 HB1 ALA 14 1HB ALA 14 -1.234 -2.689 4.484 107 HB2 ALA 14 2HB ALA 14 -1.411 -2.894 2.742 108 HB3 ALA 14 3HB ALA 14 -2.742 -2.233 3.692 109 H GLY 15 H GLY 15 0.086 -1.622 1.273 110 HA2 GLY 15 2HA GLY 15 2.665 -2.131 2.277 111 HA3 GLY 15 1HA GLY 15 2.268 -1.849 0.578 112 H HIS 16 H HIS 16 1.094 0.816 1.291 113 HA HIS 16 HA HIS 16 3.331 2.424 0.754 114 HB2 HIS 16 2HB HIS 16 0.802 2.917 0.455 115 HB3 HIS 16 1HB HIS 16 0.897 3.487 2.115 116 HD2 HIS 16 2HD HIS 16 0.709 5.457 -0.765 117 HE1 HIS 16 1HE HIS 16 4.359 6.891 0.796 118 HE2 HIS 16 2HE HIS 16 2.480 7.374 -0.842 119 H LEU 17 H LEU 17 1.738 1.562 3.778 120 HA LEU 17 HA LEU 17 2.942 3.347 5.527 121 HB2 LEU 17 2HB LEU 17 1.184 1.781 6.218 122 HB3 LEU 17 1HB LEU 17 2.292 0.424 5.999 123 HG LEU 17 HG LEU 17 3.779 1.352 7.739 124 HD11 LEU 17 1HD1 LEU 17 2.595 3.232 9.158 125 HD12 LEU 17 2HD1 LEU 17 1.764 3.581 7.642 126 HD13 LEU 17 3HD1 LEU 17 3.524 3.672 7.725 127 HD21 LEU 17 1HD2 LEU 17 0.863 1.053 8.517 128 HD22 LEU 17 2HD2 LEU 17 2.195 1.060 9.673 129 HD23 LEU 17 3HD2 LEU 17 2.083 -0.220 8.465 130 H ALA 18 H ALA 18 4.166 0.257 4.289 131 HA ALA 18 HA ALA 18 6.545 0.173 5.800 132 HB1 ALA 18 1HB ALA 18 7.287 -1.497 4.253 133 HB2 ALA 18 2HB ALA 18 6.190 -0.912 3.002 134 HB3 ALA 18 3HB ALA 18 5.546 -1.711 4.436 135 H SER 19 H SER 19 5.835 1.534 2.598 136 HA SER 19 HA SER 19 8.446 2.333 1.938 137 HB2 SER 19 2HB SER 19 6.629 2.306 0.297 138 HB3 SER 19 1HB SER 19 5.804 3.596 1.167 139 HG SER 19 HG SER 19 7.942 3.693 -0.549 140 H LYS 20 H LYS 20 5.922 3.907 3.837 141 HA LYS 20 HA LYS 20 7.051 6.454 4.068 142 HB2 LYS 20 2HB LYS 20 4.792 5.262 5.016 143 HB3 LYS 20 1HB LYS 20 5.751 5.405 6.491 144 HG2 LYS 20 2HG LYS 20 4.618 7.459 6.426 145 HG3 LYS 20 1HG LYS 20 6.176 7.856 5.703 146 HD2 LYS 20 2HD LYS 20 4.763 8.780 4.115 147 HD3 LYS 20 1HD LYS 20 4.923 7.152 3.456 148 HE2 LYS 20 2HE LYS 20 2.854 6.527 4.793 149 HE3 LYS 20 1HE LYS 20 2.651 8.245 5.133 150 HZ1 LYS 20 1HZ LYS 20 1.470 8.166 3.236 151 HZ2 LYS 20 2HZ LYS 20 2.267 6.785 2.651 152 HZ3 LYS 20 3HZ LYS 20 2.994 8.314 2.507 153 H VAL 21 H VAL 21 7.683 3.481 5.848 154 HA VAL 21 HA VAL 21 9.370 4.651 7.823 155 HB VAL 21 HB VAL 21 9.270 1.801 6.803 156 HG11 VAL 21 1HG1 VAL 21 10.238 1.321 9.078 157 HG12 VAL 21 2HG1 VAL 21 10.470 3.057 9.287 158 HG13 VAL 21 3HG1 VAL 21 11.333 2.199 8.011 159 HG21 VAL 21 1HG2 VAL 21 7.108 2.400 7.653 160 HG22 VAL 21 2HG2 VAL 21 7.814 3.275 9.011 161 HG23 VAL 21 3HG2 VAL 21 7.917 1.516 8.946 162 H MET 22 H MET 22 9.907 3.317 4.610 163 HA MET 22 HA MET 22 12.712 3.129 4.694 164 HB2 MET 22 2HB MET 22 10.839 2.470 2.863 165 HB3 MET 22 1HB MET 22 11.448 3.952 2.131 166 HG2 MET 22 2HG MET 22 12.796 2.170 1.261 167 HG3 MET 22 1HG MET 22 13.793 3.008 2.458 168 HE1 MET 22 1HE MET 22 14.119 0.239 1.165 169 HE2 MET 22 2HE MET 22 14.458 -0.942 2.427 170 HE3 MET 22 3HE MET 22 15.325 0.591 2.410 171 H ASN 23 H ASN 23 10.595 5.790 3.628 172 HA ASN 23 HA ASN 23 12.631 7.571 2.877 173 HB2 ASN 23 2HB ASN 23 10.928 9.048 2.515 174 HB3 ASN 23 1HB ASN 23 9.952 7.588 2.665 175 HD21 ASN 23 1HD2 ASN 23 11.329 10.192 4.762 176 HD22 ASN 23 2HD2 ASN 23 9.998 10.239 5.814 177 H LYS 24 H LYS 24 11.243 6.774 5.989 178 HA LYS 24 HA LYS 24 12.374 9.008 7.389 179 HB2 LYS 24 2HB LYS 24 10.346 7.588 8.070 180 HB3 LYS 24 1HB LYS 24 11.534 6.428 8.644 181 HG2 LYS 24 2HG LYS 24 11.528 7.612 10.582 182 HG3 LYS 24 1HG LYS 24 12.488 8.799 9.703 183 HD2 LYS 24 2HD LYS 24 9.456 8.800 9.808 184 HD3 LYS 24 1HD LYS 24 10.487 9.790 10.839 185 HE2 LYS 24 2HE LYS 24 11.528 10.727 8.725 186 HE3 LYS 24 1HE LYS 24 10.255 9.905 7.823 187 HZ1 LYS 24 1HZ LYS 24 10.095 12.380 8.997 188 HZ2 LYS 24 2HZ LYS 24 9.194 11.366 10.020 189 HZ3 LYS 24 3HZ LYS 24 8.807 11.473 8.369 190 H LEU 25 H LEU 25 13.109 5.519 7.405 191 HA LEU 25 HA LEU 25 15.957 6.091 7.598 192 HB2 LEU 25 2HB LEU 25 16.250 4.737 9.644 193 HB3 LEU 25 1HB LEU 25 15.274 6.181 9.944 194 HG LEU 25 HG LEU 25 13.342 4.346 9.232 195 HD11 LEU 25 1HD1 LEU 25 13.829 2.298 10.534 196 HD12 LEU 25 2HD1 LEU 25 15.455 2.897 10.860 197 HD13 LEU 25 3HD1 LEU 25 14.975 2.502 9.210 198 HD21 LEU 25 1HD2 LEU 25 13.104 5.811 11.122 199 HD22 LEU 25 2HD2 LEU 25 14.475 5.070 11.948 200 HD23 LEU 25 3HD2 LEU 25 12.975 4.166 11.744 201 HN1 NH2 26 HN1 NH2 26 13.317 3.970 6.867 202 HN2 NH2 26 HN2 NH2 26 14.262 2.670 6.272 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -11.596 -9.248 -13.133 2 H2 GLY 1 2HT GLY 1 -10.973 -8.730 -14.627 3 H3 GLY 1 3HT GLY 1 -12.277 -7.906 -13.915 4 HA2 GLY 1 2HA GLY 1 -9.482 -8.023 -12.916 5 HA3 GLY 1 1HA GLY 1 -10.311 -6.609 -13.585 6 H VAL 2 H VAL 2 -12.645 -8.243 -11.999 7 HA VAL 2 HA VAL 2 -13.052 -6.386 -9.977 8 HB VAL 2 HB VAL 2 -13.837 -9.294 -9.761 9 HG11 VAL 2 1HG1 VAL 2 -15.709 -8.435 -8.523 10 HG12 VAL 2 2HG1 VAL 2 -15.315 -6.774 -8.967 11 HG13 VAL 2 3HG1 VAL 2 -14.267 -7.663 -7.863 12 HG21 VAL 2 1HG2 VAL 2 -14.958 -7.075 -11.486 13 HG22 VAL 2 2HG2 VAL 2 -15.911 -8.486 -11.029 14 HG23 VAL 2 3HG2 VAL 2 -14.447 -8.685 -11.991 15 H VAL 3 H VAL 3 -11.207 -9.400 -9.916 16 HA VAL 3 HA VAL 3 -10.658 -9.314 -7.107 17 HB VAL 3 HB VAL 3 -9.237 -10.788 -9.338 18 HG11 VAL 3 1HG1 VAL 3 -7.798 -10.661 -7.404 19 HG12 VAL 3 2HG1 VAL 3 -8.522 -12.269 -7.418 20 HG13 VAL 3 3HG1 VAL 3 -9.137 -11.034 -6.320 21 HG21 VAL 3 1HG2 VAL 3 -11.471 -11.570 -7.440 22 HG22 VAL 3 2HG2 VAL 3 -10.596 -12.714 -8.457 23 HG23 VAL 3 3HG2 VAL 3 -11.572 -11.445 -9.196 24 H ASP 4 H ASP 4 -8.890 -8.339 -10.022 25 HA ASP 4 HA ASP 4 -6.495 -7.587 -8.726 26 HB2 ASP 4 2HB ASP 4 -5.808 -6.870 -10.799 27 HB3 ASP 4 1HB ASP 4 -7.160 -7.883 -11.290 28 H ILE 5 H ILE 5 -9.304 -5.678 -9.770 29 HA ILE 5 HA ILE 5 -8.477 -3.151 -8.999 30 HB ILE 5 HB ILE 5 -11.257 -4.296 -8.785 31 HG12 ILE 5 2HG1 ILE 5 -9.649 -4.202 -11.028 32 HG13 ILE 5 1HG1 ILE 5 -11.413 -4.220 -11.040 33 HG21 ILE 5 1HG2 ILE 5 -11.897 -1.896 -9.208 34 HG22 ILE 5 2HG2 ILE 5 -10.204 -1.470 -8.942 35 HG23 ILE 5 3HG2 ILE 5 -11.147 -2.193 -7.640 36 HD11 ILE 5 1HD1 ILE 5 -11.507 -1.823 -11.158 37 HD12 ILE 5 2HD1 ILE 5 -10.367 -2.367 -12.387 38 HD13 ILE 5 3HD1 ILE 5 -9.772 -1.687 -10.874 39 H LEU 6 H LEU 6 -9.587 -5.803 -6.993 40 HA LEU 6 HA LEU 6 -10.224 -4.343 -4.675 41 HB2 LEU 6 2HB LEU 6 -10.591 -6.385 -3.742 42 HB3 LEU 6 1HB LEU 6 -10.407 -6.951 -5.402 43 HG LEU 6 HG LEU 6 -7.886 -7.150 -4.866 44 HD11 LEU 6 1HD1 LEU 6 -8.227 -7.747 -2.094 45 HD12 LEU 6 2HD1 LEU 6 -8.853 -6.121 -2.354 46 HD13 LEU 6 3HD1 LEU 6 -7.199 -6.512 -2.816 47 HD21 LEU 6 1HD2 LEU 6 -8.202 -9.386 -3.947 48 HD22 LEU 6 2HD2 LEU 6 -9.490 -9.058 -5.105 49 HD23 LEU 6 3HD2 LEU 6 -9.814 -8.958 -3.376 50 H LYS 7 H LYS 7 -7.161 -5.354 -6.023 51 HA LYS 7 HA LYS 7 -5.573 -5.073 -3.696 52 HB2 LYS 7 2HB LYS 7 -3.759 -5.376 -5.112 53 HB3 LYS 7 1HB LYS 7 -5.064 -6.092 -6.051 54 HG2 LYS 7 2HG LYS 7 -5.334 -3.706 -7.067 55 HG3 LYS 7 1HG LYS 7 -3.700 -3.445 -6.458 56 HD2 LYS 7 2HD LYS 7 -2.936 -5.448 -7.695 57 HD3 LYS 7 1HD LYS 7 -4.575 -5.676 -8.311 58 HE2 LYS 7 2HE LYS 7 -4.486 -3.507 -9.441 59 HE3 LYS 7 1HE LYS 7 -2.884 -3.200 -8.770 60 HZ1 LYS 7 1HZ LYS 7 -2.172 -4.126 -10.660 61 HZ2 LYS 7 2HZ LYS 7 -3.665 -4.866 -10.992 62 HZ3 LYS 7 3HZ LYS 7 -2.565 -5.604 -9.927 63 H GLY 8 H GLY 8 -6.493 -2.828 -6.244 64 HA2 GLY 8 2HA GLY 8 -4.920 -0.631 -5.634 65 HA3 GLY 8 1HA GLY 8 -6.555 -0.520 -6.295 66 H ALA 9 H ALA 9 -7.717 -1.881 -3.936 67 HA ALA 9 HA ALA 9 -8.186 0.456 -2.345 68 HB1 ALA 9 1HB ALA 9 -8.969 -2.368 -1.624 69 HB2 ALA 9 2HB ALA 9 -9.840 -1.428 -2.837 70 HB3 ALA 9 3HB ALA 9 -9.769 -0.864 -1.167 71 H ALA 10 H ALA 10 -6.694 -2.710 -1.637 72 HA ALA 10 HA ALA 10 -5.856 -2.012 0.979 73 HB1 ALA 10 1HB ALA 10 -6.105 -4.354 -0.026 74 HB2 ALA 10 2HB ALA 10 -4.690 -4.073 0.989 75 HB3 ALA 10 3HB ALA 10 -4.528 -4.081 -0.767 76 H LYS 11 H LYS 11 -4.251 -1.933 -2.177 77 HA LYS 11 HA LYS 11 -1.653 -1.370 -1.433 78 HB2 LYS 11 2HB LYS 11 -2.859 -1.574 -3.802 79 HB3 LYS 11 1HB LYS 11 -2.814 0.185 -3.706 80 HG2 LYS 11 2HG LYS 11 -0.756 -0.234 -4.704 81 HG3 LYS 11 1HG LYS 11 -0.290 -0.236 -2.998 82 HD2 LYS 11 2HD LYS 11 -0.753 -2.769 -3.054 83 HD3 LYS 11 1HD LYS 11 -0.766 -2.611 -4.810 84 HE2 LYS 11 2HE LYS 11 1.477 -3.177 -4.270 85 HE3 LYS 11 1HE LYS 11 1.507 -1.437 -4.556 86 HZ1 LYS 11 1HZ LYS 11 1.984 -1.018 -2.429 87 HZ2 LYS 11 2HZ LYS 11 2.448 -2.650 -2.346 88 HZ3 LYS 11 3HZ LYS 11 0.897 -2.177 -1.838 89 H ASP 12 H ASP 12 -4.431 0.800 -1.553 90 HA ASP 12 HA ASP 12 -3.118 3.251 -1.247 91 HB2 ASP 12 2HB ASP 12 -5.519 3.053 -1.745 92 HB3 ASP 12 1HB ASP 12 -5.802 2.416 -0.120 93 H ILE 13 H ILE 13 -4.239 0.941 1.213 94 HA ILE 13 HA ILE 13 -3.326 2.555 3.412 95 HB ILE 13 HB ILE 13 -4.177 -0.344 3.256 96 HG12 ILE 13 2HG1 ILE 13 -6.056 0.911 4.734 97 HG13 ILE 13 1HG1 ILE 13 -5.546 2.276 3.736 98 HG21 ILE 13 1HG2 ILE 13 -2.753 -0.187 5.158 99 HG22 ILE 13 2HG2 ILE 13 -4.389 -0.011 5.792 100 HG23 ILE 13 3HG2 ILE 13 -3.367 1.410 5.582 101 HD11 ILE 13 1HD1 ILE 13 -5.960 0.954 1.701 102 HD12 ILE 13 2HD1 ILE 13 -7.416 1.038 2.690 103 HD13 ILE 13 3HD1 ILE 13 -6.439 -0.428 2.684 104 H ALA 14 H ALA 14 -2.180 -0.462 1.895 105 HA ALA 14 HA ALA 14 0.083 -0.882 3.459 106 HB1 ALA 14 1HB ALA 14 -0.217 -1.429 0.495 107 HB2 ALA 14 2HB ALA 14 -0.768 -2.494 1.789 108 HB3 ALA 14 3HB ALA 14 0.956 -2.181 1.578 109 H GLY 15 H GLY 15 -0.268 1.062 0.503 110 HA2 GLY 15 2HA GLY 15 2.383 1.820 0.126 111 HA3 GLY 15 1HA GLY 15 0.987 2.810 -0.320 112 H HIS 16 H HIS 16 -0.058 3.152 2.316 113 HA HIS 16 HA HIS 16 1.417 5.416 3.153 114 HB2 HIS 16 2HB HIS 16 -1.083 4.862 3.502 115 HB3 HIS 16 1HB HIS 16 -0.520 3.977 4.912 116 HD2 HIS 16 2HD HIS 16 -2.096 7.127 4.808 117 HE1 HIS 16 1HE HIS 16 1.432 8.153 6.887 118 HE2 HIS 16 2HE HIS 16 -0.923 8.908 6.316 119 H LEU 17 H LEU 17 1.040 2.184 4.592 120 HA LEU 17 HA LEU 17 2.701 2.605 6.822 121 HB2 LEU 17 2HB LEU 17 1.116 0.654 6.402 122 HB3 LEU 17 1HB LEU 17 2.380 -0.027 5.373 123 HG LEU 17 HG LEU 17 3.919 0.428 7.477 124 HD11 LEU 17 1HD1 LEU 17 2.232 1.594 8.812 125 HD12 LEU 17 2HD1 LEU 17 2.642 0.067 9.590 126 HD13 LEU 17 3HD1 LEU 17 1.140 0.216 8.681 127 HD21 LEU 17 1HD2 LEU 17 3.432 -1.793 6.519 128 HD22 LEU 17 2HD2 LEU 17 1.889 -1.829 7.373 129 HD23 LEU 17 3HD2 LEU 17 3.401 -1.856 8.282 130 H ALA 18 H ALA 18 3.422 1.492 3.539 131 HA ALA 18 HA ALA 18 6.073 0.712 3.871 132 HB1 ALA 18 1HB ALA 18 6.343 1.262 1.467 133 HB2 ALA 18 2HB ALA 18 4.785 2.086 1.501 134 HB3 ALA 18 3HB ALA 18 4.869 0.348 1.784 135 H SER 19 H SER 19 4.662 3.885 3.864 136 HA SER 19 HA SER 19 6.818 5.498 3.175 137 HB2 SER 19 2HB SER 19 4.457 6.240 3.705 138 HB3 SER 19 1HB SER 19 4.876 6.106 5.410 139 HG SER 19 HG SER 19 5.183 8.227 4.396 140 H LYS 20 H LYS 20 5.989 4.124 6.350 141 HA LYS 20 HA LYS 20 8.066 5.293 7.822 142 HB2 LYS 20 2HB LYS 20 6.019 3.395 8.277 143 HB3 LYS 20 1HB LYS 20 7.532 2.633 8.777 144 HG2 LYS 20 2HG LYS 20 6.752 3.792 10.705 145 HG3 LYS 20 1HG LYS 20 8.033 4.805 10.044 146 HD2 LYS 20 2HD LYS 20 6.388 6.410 10.338 147 HD3 LYS 20 1HD LYS 20 6.000 5.892 8.699 148 HE2 LYS 20 2HE LYS 20 3.924 5.845 9.850 149 HE3 LYS 20 1HE LYS 20 4.441 4.160 9.798 150 HZ1 LYS 20 1HZ LYS 20 4.782 4.104 12.002 151 HZ2 LYS 20 2HZ LYS 20 3.711 5.422 12.029 152 HZ3 LYS 20 3HZ LYS 20 5.388 5.687 12.071 153 H VAL 21 H VAL 21 7.946 2.201 6.078 154 HA VAL 21 HA VAL 21 10.616 1.441 6.751 155 HB VAL 21 HB VAL 21 8.872 0.510 4.458 156 HG11 VAL 21 1HG1 VAL 21 10.321 -1.540 4.665 157 HG12 VAL 21 2HG1 VAL 21 11.350 -0.637 5.776 158 HG13 VAL 21 3HG1 VAL 21 11.186 -0.111 4.101 159 HG21 VAL 21 1HG2 VAL 21 9.253 -0.591 7.263 160 HG22 VAL 21 2HG2 VAL 21 8.289 -1.343 5.991 161 HG23 VAL 21 3HG2 VAL 21 7.801 0.212 6.666 162 H MET 22 H MET 22 9.147 3.231 4.104 163 HA MET 22 HA MET 22 11.276 3.210 2.284 164 HB2 MET 22 2HB MET 22 8.807 4.233 2.208 165 HB3 MET 22 1HB MET 22 9.679 5.713 2.597 166 HG2 MET 22 2HG MET 22 10.272 3.867 0.261 167 HG3 MET 22 1HG MET 22 9.493 5.453 0.159 168 HE1 MET 22 1HE MET 22 11.548 4.837 -1.601 169 HE2 MET 22 2HE MET 22 13.008 5.812 -1.447 170 HE3 MET 22 3HE MET 22 11.435 6.601 -1.525 171 H ASN 23 H ASN 23 10.535 5.497 4.905 172 HA ASN 23 HA ASN 23 12.750 7.193 4.486 173 HB2 ASN 23 2HB ASN 23 11.890 8.350 6.230 174 HB3 ASN 23 1HB ASN 23 10.546 7.210 6.128 175 HD21 ASN 23 1HD2 ASN 23 13.397 8.107 7.999 176 HD22 ASN 23 2HD2 ASN 23 13.116 7.030 9.280 177 H LYS 24 H LYS 24 12.394 4.142 6.143 178 HA LYS 24 HA LYS 24 14.906 4.308 7.541 179 HB2 LYS 24 2HB LYS 24 12.840 2.927 8.199 180 HB3 LYS 24 1HB LYS 24 13.401 1.788 6.984 181 HG2 LYS 24 2HG LYS 24 14.370 1.035 9.020 182 HG3 LYS 24 1HG LYS 24 15.668 1.847 8.155 183 HD2 LYS 24 2HD LYS 24 14.286 3.822 9.712 184 HD3 LYS 24 1HD LYS 24 14.642 2.449 10.754 185 HE2 LYS 24 2HE LYS 24 17.013 2.520 9.990 186 HE3 LYS 24 1HE LYS 24 16.637 3.961 9.046 187 HZ1 LYS 24 1HZ LYS 24 17.300 3.808 11.747 188 HZ2 LYS 24 2HZ LYS 24 15.677 4.302 11.662 189 HZ3 LYS 24 3HZ LYS 24 16.881 5.187 10.854 190 H LEU 25 H LEU 25 13.716 2.315 4.834 191 HA LEU 25 HA LEU 25 16.305 2.490 3.525 192 HB2 LEU 25 2HB LEU 25 16.616 0.049 3.403 193 HB3 LEU 25 1HB LEU 25 16.660 0.625 5.075 194 HG LEU 25 HG LEU 25 13.972 0.113 4.742 195 HD11 LEU 25 1HD1 LEU 25 13.826 -2.126 3.691 196 HD12 LEU 25 2HD1 LEU 25 15.522 -2.010 3.224 197 HD13 LEU 25 3HD1 LEU 25 14.339 -0.903 2.530 198 HD21 LEU 25 1HD2 LEU 25 15.249 -0.581 6.678 199 HD22 LEU 25 2HD2 LEU 25 16.189 -1.717 5.710 200 HD23 LEU 25 3HD2 LEU 25 14.475 -2.015 6.001 201 HN1 NH2 26 HN1 NH2 26 12.956 2.291 3.381 202 HN2 NH2 26 HN2 NH2 26 12.799 1.836 1.737 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -11.595 -9.315 -12.766 2 H2 GLY 1 2HT GLY 1 -11.103 -9.408 -14.390 3 H3 GLY 1 3HT GLY 1 -12.595 -8.701 -13.991 4 HA2 GLY 1 2HA GLY 1 -9.872 -7.630 -13.639 5 HA3 GLY 1 1HA GLY 1 -11.294 -6.851 -14.352 6 H VAL 2 H VAL 2 -13.231 -7.292 -12.483 7 HA VAL 2 HA VAL 2 -12.866 -5.268 -10.617 8 HB VAL 2 HB VAL 2 -14.662 -7.657 -10.179 9 HG11 VAL 2 1HG1 VAL 2 -14.380 -5.844 -8.408 10 HG12 VAL 2 2HG1 VAL 2 -16.030 -6.107 -8.973 11 HG13 VAL 2 3HG1 VAL 2 -15.104 -4.727 -9.565 12 HG21 VAL 2 1HG2 VAL 2 -14.954 -5.285 -12.039 13 HG22 VAL 2 2HG2 VAL 2 -16.332 -6.239 -11.490 14 HG23 VAL 2 3HG2 VAL 2 -15.061 -6.998 -12.448 15 H VAL 3 H VAL 3 -12.124 -8.697 -10.385 16 HA VAL 3 HA VAL 3 -11.682 -8.836 -7.602 17 HB VAL 3 HB VAL 3 -10.327 -10.430 -9.791 18 HG11 VAL 3 1HG1 VAL 3 -9.244 -10.683 -7.610 19 HG12 VAL 3 2HG1 VAL 3 -10.155 -12.144 -7.990 20 HG13 VAL 3 3HG1 VAL 3 -10.807 -10.973 -6.844 21 HG21 VAL 3 1HG2 VAL 3 -12.930 -10.864 -8.290 22 HG22 VAL 3 2HG2 VAL 3 -12.170 -12.061 -9.339 23 HG23 VAL 3 3HG2 VAL 3 -12.757 -10.542 -10.015 24 H ASP 4 H ASP 4 -9.350 -8.407 -10.272 25 HA ASP 4 HA ASP 4 -7.054 -8.088 -8.720 26 HB2 ASP 4 2HB ASP 4 -6.015 -7.496 -10.682 27 HB3 ASP 4 1HB ASP 4 -7.493 -8.179 -11.352 28 H ILE 5 H ILE 5 -9.292 -5.617 -9.946 29 HA ILE 5 HA ILE 5 -8.050 -3.338 -8.983 30 HB ILE 5 HB ILE 5 -11.013 -3.889 -9.082 31 HG12 ILE 5 2HG1 ILE 5 -9.199 -4.057 -11.160 32 HG13 ILE 5 1HG1 ILE 5 -10.921 -3.713 -11.335 33 HG21 ILE 5 1HG2 ILE 5 -11.107 -1.396 -9.436 34 HG22 ILE 5 2HG2 ILE 5 -9.398 -1.337 -8.999 35 HG23 ILE 5 3HG2 ILE 5 -10.590 -1.890 -7.824 36 HD11 ILE 5 1HD1 ILE 5 -8.828 -1.577 -10.892 37 HD12 ILE 5 2HD1 ILE 5 -10.520 -1.344 -11.336 38 HD13 ILE 5 3HD1 ILE 5 -9.399 -2.071 -12.485 39 H LEU 6 H LEU 6 -9.841 -5.777 -7.228 40 HA LEU 6 HA LEU 6 -10.430 -4.320 -4.900 41 HB2 LEU 6 2HB LEU 6 -11.203 -6.306 -4.097 42 HB3 LEU 6 1HB LEU 6 -10.989 -6.823 -5.769 43 HG LEU 6 HG LEU 6 -8.585 -7.475 -5.067 44 HD11 LEU 6 1HD1 LEU 6 -7.971 -7.081 -2.935 45 HD12 LEU 6 2HD1 LEU 6 -9.260 -8.140 -2.370 46 HD13 LEU 6 3HD1 LEU 6 -9.562 -6.416 -2.577 47 HD21 LEU 6 1HD2 LEU 6 -9.340 -9.668 -4.342 48 HD22 LEU 6 2HD2 LEU 6 -10.481 -9.056 -5.539 49 HD23 LEU 6 3HD2 LEU 6 -10.890 -9.006 -3.825 50 H LYS 7 H LYS 7 -7.469 -5.787 -6.033 51 HA LYS 7 HA LYS 7 -6.055 -5.922 -3.604 52 HB2 LYS 7 2HB LYS 7 -4.161 -6.293 -4.921 53 HB3 LYS 7 1HB LYS 7 -5.477 -6.809 -5.972 54 HG2 LYS 7 2HG LYS 7 -5.451 -4.368 -6.853 55 HG3 LYS 7 1HG LYS 7 -3.848 -4.284 -6.123 56 HD2 LYS 7 2HD LYS 7 -3.162 -6.265 -7.429 57 HD3 LYS 7 1HD LYS 7 -4.770 -6.331 -8.156 58 HE2 LYS 7 2HE LYS 7 -4.450 -4.161 -9.195 59 HE3 LYS 7 1HE LYS 7 -2.915 -3.941 -8.355 60 HZ1 LYS 7 1HZ LYS 7 -3.544 -5.991 -10.407 61 HZ2 LYS 7 2HZ LYS 7 -2.100 -5.947 -9.511 62 HZ3 LYS 7 3HZ LYS 7 -2.485 -4.677 -10.572 63 H GLY 8 H GLY 8 -6.338 -3.346 -5.997 64 HA2 GLY 8 2HA GLY 8 -4.560 -1.470 -5.086 65 HA3 GLY 8 1HA GLY 8 -6.138 -1.049 -5.762 66 H ALA 9 H ALA 9 -7.263 -2.714 -3.390 67 HA ALA 9 HA ALA 9 -7.874 -0.504 -1.721 68 HB1 ALA 9 1HB ALA 9 -8.136 -3.440 -1.042 69 HB2 ALA 9 2HB ALA 9 -9.304 -2.543 -2.014 70 HB3 ALA 9 3HB ALA 9 -9.031 -2.098 -0.328 71 H ALA 10 H ALA 10 -5.835 -3.379 -1.144 72 HA ALA 10 HA ALA 10 -4.900 -2.561 1.392 73 HB1 ALA 10 1HB ALA 10 -3.659 -4.413 -0.654 74 HB2 ALA 10 2HB ALA 10 -4.715 -4.876 0.679 75 HB3 ALA 10 3HB ALA 10 -3.102 -4.243 1.011 76 H LYS 11 H LYS 11 -3.748 -1.963 -1.881 77 HA LYS 11 HA LYS 11 -1.211 -0.929 -1.290 78 HB2 LYS 11 2HB LYS 11 -2.196 -1.469 -3.580 79 HB3 LYS 11 1HB LYS 11 -2.994 0.102 -3.496 80 HG2 LYS 11 2HG LYS 11 -0.773 1.175 -3.121 81 HG3 LYS 11 1HG LYS 11 -0.007 -0.405 -3.332 82 HD2 LYS 11 2HD LYS 11 -1.861 0.699 -5.441 83 HD3 LYS 11 1HD LYS 11 -0.165 1.177 -5.396 84 HE2 LYS 11 2HE LYS 11 0.444 -1.271 -5.409 85 HE3 LYS 11 1HE LYS 11 -1.260 -1.634 -5.680 86 HZ1 LYS 11 1HZ LYS 11 -1.153 -0.187 -7.662 87 HZ2 LYS 11 2HZ LYS 11 -0.150 -1.554 -7.774 88 HZ3 LYS 11 3HZ LYS 11 0.520 -0.032 -7.431 89 H ASP 12 H ASP 12 -4.398 0.586 -1.246 90 HA ASP 12 HA ASP 12 -3.627 3.266 -1.018 91 HB2 ASP 12 2HB ASP 12 -5.944 2.663 -1.381 92 HB3 ASP 12 1HB ASP 12 -6.006 1.821 0.174 93 H ILE 13 H ILE 13 -4.199 0.848 1.539 94 HA ILE 13 HA ILE 13 -3.392 2.654 3.635 95 HB ILE 13 HB ILE 13 -3.885 -0.331 3.624 96 HG12 ILE 13 2HG1 ILE 13 -5.828 0.757 5.164 97 HG13 ILE 13 1HG1 ILE 13 -5.550 2.113 4.067 98 HG21 ILE 13 1HG2 ILE 13 -2.396 0.087 5.437 99 HG22 ILE 13 2HG2 ILE 13 -4.008 0.073 6.153 100 HG23 ILE 13 3HG2 ILE 13 -3.195 1.607 5.841 101 HD11 ILE 13 1HD1 ILE 13 -7.290 0.644 3.161 102 HD12 ILE 13 2HD1 ILE 13 -6.198 -0.737 3.252 103 HD13 ILE 13 3HD1 ILE 13 -5.858 0.584 2.135 104 H ALA 14 H ALA 14 -1.977 -0.272 2.164 105 HA ALA 14 HA ALA 14 0.418 -0.298 3.608 106 HB1 ALA 14 1HB ALA 14 -0.284 -1.266 0.838 107 HB2 ALA 14 2HB ALA 14 -0.092 -2.215 2.311 108 HB3 ALA 14 3HB ALA 14 1.320 -1.498 1.534 109 H GLY 15 H GLY 15 -0.582 1.629 0.864 110 HA2 GLY 15 2HA GLY 15 1.818 2.518 -0.176 111 HA3 GLY 15 1HA GLY 15 0.362 3.515 -0.074 112 H HIS 16 H HIS 16 0.117 3.672 2.721 113 HA HIS 16 HA HIS 16 2.051 5.724 3.277 114 HB2 HIS 16 2HB HIS 16 0.224 6.416 4.399 115 HB3 HIS 16 1HB HIS 16 -0.479 4.806 4.378 116 HD2 HIS 16 2HD HIS 16 -0.099 3.315 6.743 117 HE1 HIS 16 1HE HIS 16 2.169 6.228 8.792 118 HE2 HIS 16 2HE HIS 16 0.979 3.996 9.022 119 H LEU 17 H LEU 17 1.295 2.542 4.680 120 HA LEU 17 HA LEU 17 3.253 2.497 6.669 121 HB2 LEU 17 2HB LEU 17 1.429 0.820 6.423 122 HB3 LEU 17 1HB LEU 17 2.275 0.148 5.026 123 HG LEU 17 HG LEU 17 4.262 -0.276 6.485 124 HD11 LEU 17 1HD1 LEU 17 3.529 -0.288 9.035 125 HD12 LEU 17 2HD1 LEU 17 2.429 0.983 8.502 126 HD13 LEU 17 3HD1 LEU 17 4.170 1.178 8.296 127 HD21 LEU 17 1HD2 LEU 17 2.804 -2.134 6.121 128 HD22 LEU 17 2HD2 LEU 17 1.588 -1.486 7.222 129 HD23 LEU 17 3HD2 LEU 17 3.112 -2.105 7.857 130 H ALA 18 H ALA 18 3.458 1.676 3.237 131 HA ALA 18 HA ALA 18 6.044 0.566 3.240 132 HB1 ALA 18 1HB ALA 18 4.885 2.197 0.982 133 HB2 ALA 18 2HB ALA 18 4.328 0.564 1.348 134 HB3 ALA 18 3HB ALA 18 6.007 0.840 0.883 135 H SER 19 H SER 19 4.971 3.908 2.616 136 HA SER 19 HA SER 19 7.443 5.073 2.122 137 HB2 SER 19 2HB SER 19 5.286 6.249 1.865 138 HB3 SER 19 1HB SER 19 5.111 6.297 3.617 139 HG SER 19 HG SER 19 7.523 7.201 3.023 140 H LYS 20 H LYS 20 5.876 4.335 5.203 141 HA LYS 20 HA LYS 20 7.650 5.665 6.916 142 HB2 LYS 20 2HB LYS 20 5.521 3.747 7.145 143 HB3 LYS 20 1HB LYS 20 6.852 3.279 8.208 144 HG2 LYS 20 2HG LYS 20 5.693 6.079 8.107 145 HG3 LYS 20 1HG LYS 20 5.167 4.852 9.256 146 HD2 LYS 20 2HD LYS 20 8.086 5.097 9.177 147 HD3 LYS 20 1HD LYS 20 7.305 6.617 9.611 148 HE2 LYS 20 2HE LYS 20 7.837 5.060 11.556 149 HE3 LYS 20 1HE LYS 20 6.166 5.614 11.457 150 HZ1 LYS 20 1HZ LYS 20 6.270 3.350 9.910 151 HZ2 LYS 20 2HZ LYS 20 5.588 3.488 11.460 152 HZ3 LYS 20 3HZ LYS 20 7.196 2.968 11.279 153 H VAL 21 H VAL 21 7.715 2.313 5.723 154 HA VAL 21 HA VAL 21 10.177 1.655 7.010 155 HB VAL 21 HB VAL 21 8.755 0.365 4.668 156 HG11 VAL 21 1HG1 VAL 21 11.045 -0.330 4.591 157 HG12 VAL 21 2HG1 VAL 21 10.167 -1.628 5.398 158 HG13 VAL 21 3HG1 VAL 21 11.124 -0.489 6.346 159 HG21 VAL 21 1HG2 VAL 21 8.805 -0.202 7.648 160 HG22 VAL 21 2HG2 VAL 21 8.104 -1.288 6.449 161 HG23 VAL 21 3HG2 VAL 21 7.415 0.317 6.694 162 H MET 22 H MET 22 9.303 2.959 3.863 163 HA MET 22 HA MET 22 11.766 2.599 2.551 164 HB2 MET 22 2HB MET 22 9.368 3.527 1.772 165 HB3 MET 22 1HB MET 22 10.196 5.068 1.985 166 HG2 MET 22 2HG MET 22 12.025 4.289 0.512 167 HG3 MET 22 1HG MET 22 11.179 2.750 0.287 168 HE1 MET 22 1HE MET 22 9.978 2.383 -1.891 169 HE2 MET 22 2HE MET 22 11.527 3.172 -2.182 170 HE3 MET 22 3HE MET 22 10.106 3.676 -3.092 171 H ASN 23 H ASN 23 10.520 5.346 4.442 172 HA ASN 23 HA ASN 23 12.759 7.013 4.152 173 HB2 ASN 23 2HB ASN 23 11.649 8.408 5.575 174 HB3 ASN 23 1HB ASN 23 10.308 7.318 5.224 175 HD21 ASN 23 1HD2 ASN 23 9.300 6.476 7.048 176 HD22 ASN 23 2HD2 ASN 23 10.018 6.333 8.579 177 H LYS 24 H LYS 24 12.026 4.445 6.460 178 HA LYS 24 HA LYS 24 14.218 4.932 8.198 179 HB2 LYS 24 2HB LYS 24 12.071 3.472 8.522 180 HB3 LYS 24 1HB LYS 24 13.068 2.213 7.807 181 HG2 LYS 24 2HG LYS 24 13.539 1.942 10.079 182 HG3 LYS 24 1HG LYS 24 14.857 2.987 9.559 183 HD2 LYS 24 2HD LYS 24 14.174 4.267 11.334 184 HD3 LYS 24 1HD LYS 24 12.998 4.872 10.168 185 HE2 LYS 24 2HE LYS 24 11.349 3.232 10.942 186 HE3 LYS 24 1HE LYS 24 12.530 2.551 12.061 187 HZ1 LYS 24 1HZ LYS 24 11.816 5.414 12.150 188 HZ2 LYS 24 2HZ LYS 24 12.513 4.454 13.365 189 HZ3 LYS 24 3HZ LYS 24 10.876 4.256 12.957 190 H LEU 25 H LEU 25 13.739 2.508 5.630 191 HA LEU 25 HA LEU 25 16.545 2.659 4.909 192 HB2 LEU 25 2HB LEU 25 16.984 0.266 5.260 193 HB3 LEU 25 1HB LEU 25 16.603 1.075 6.787 194 HG LEU 25 HG LEU 25 14.098 0.306 5.937 195 HD11 LEU 25 1HD1 LEU 25 15.878 -2.066 5.358 196 HD12 LEU 25 2HD1 LEU 25 15.349 -0.977 4.075 197 HD13 LEU 25 3HD1 LEU 25 14.158 -1.875 5.014 198 HD21 LEU 25 1HD2 LEU 25 14.381 -1.571 7.596 199 HD22 LEU 25 2HD2 LEU 25 14.919 -0.003 8.197 200 HD23 LEU 25 3HD2 LEU 25 16.103 -1.191 7.652 201 HN1 NH2 26 HN1 NH2 26 13.289 1.430 4.344 202 HN2 NH2 26 HN2 NH2 26 13.531 1.051 2.691 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -12.428 -9.699 -11.752 2 H2 GLY 1 2HT GLY 1 -13.691 -9.876 -12.875 3 H3 GLY 1 3HT GLY 1 -13.927 -8.960 -11.463 4 HA2 GLY 1 2HA GLY 1 -11.821 -8.206 -13.382 5 HA3 GLY 1 1HA GLY 1 -13.502 -7.730 -13.665 6 H VAL 2 H VAL 2 -14.552 -6.369 -12.139 7 HA VAL 2 HA VAL 2 -12.916 -4.332 -11.045 8 HB VAL 2 HB VAL 2 -15.801 -4.931 -10.352 9 HG11 VAL 2 1HG1 VAL 2 -14.813 -3.260 -8.903 10 HG12 VAL 2 2HG1 VAL 2 -15.841 -2.428 -10.070 11 HG13 VAL 2 3HG1 VAL 2 -14.090 -2.428 -10.279 12 HG21 VAL 2 1HG2 VAL 2 -15.536 -4.847 -12.785 13 HG22 VAL 2 2HG2 VAL 2 -14.602 -3.358 -12.655 14 HG23 VAL 2 3HG2 VAL 2 -16.314 -3.365 -12.229 15 H VAL 3 H VAL 3 -14.346 -7.236 -9.699 16 HA VAL 3 HA VAL 3 -14.116 -6.659 -6.964 17 HB VAL 3 HB VAL 3 -13.762 -9.346 -8.311 18 HG11 VAL 3 1HG1 VAL 3 -13.124 -9.514 -6.015 19 HG12 VAL 3 2HG1 VAL 3 -14.789 -10.091 -6.089 20 HG13 VAL 3 3HG1 VAL 3 -14.444 -8.466 -5.499 21 HG21 VAL 3 1HG2 VAL 3 -15.846 -8.141 -8.985 22 HG22 VAL 3 2HG2 VAL 3 -16.277 -7.992 -7.281 23 HG23 VAL 3 3HG2 VAL 3 -16.180 -9.587 -8.031 24 H ASP 4 H ASP 4 -11.829 -8.397 -9.088 25 HA ASP 4 HA ASP 4 -9.798 -8.714 -7.178 26 HB2 ASP 4 2HB ASP 4 -10.069 -9.758 -9.538 27 HB3 ASP 4 1HB ASP 4 -9.203 -8.327 -10.075 28 H ILE 5 H ILE 5 -10.279 -6.183 -9.629 29 HA ILE 5 HA ILE 5 -7.989 -4.684 -9.205 30 HB ILE 5 HB ILE 5 -10.759 -3.652 -9.798 31 HG12 ILE 5 2HG1 ILE 5 -9.322 -5.524 -11.233 32 HG13 ILE 5 1HG1 ILE 5 -10.561 -4.460 -11.901 33 HG21 ILE 5 1HG2 ILE 5 -9.318 -1.830 -9.203 34 HG22 ILE 5 2HG2 ILE 5 -9.451 -1.838 -10.960 35 HG23 ILE 5 3HG2 ILE 5 -8.003 -2.479 -10.182 36 HD11 ILE 5 1HD1 ILE 5 -8.914 -2.853 -12.586 37 HD12 ILE 5 2HD1 ILE 5 -8.365 -4.436 -13.136 38 HD13 ILE 5 3HD1 ILE 5 -7.641 -3.702 -11.706 39 H LEU 6 H LEU 6 -10.903 -4.878 -7.257 40 HA LEU 6 HA LEU 6 -10.597 -2.559 -5.725 41 HB2 LEU 6 2HB LEU 6 -12.357 -3.362 -4.523 42 HB3 LEU 6 1HB LEU 6 -12.438 -4.545 -5.828 43 HG LEU 6 HG LEU 6 -10.814 -5.962 -4.397 44 HD11 LEU 6 1HD1 LEU 6 -11.073 -3.646 -2.711 45 HD12 LEU 6 2HD1 LEU 6 -10.114 -5.097 -2.437 46 HD13 LEU 6 3HD1 LEU 6 -11.782 -5.026 -1.876 47 HD21 LEU 6 1HD2 LEU 6 -12.662 -6.976 -3.212 48 HD22 LEU 6 2HD2 LEU 6 -13.281 -6.380 -4.751 49 HD23 LEU 6 3HD2 LEU 6 -13.585 -5.475 -3.269 50 H LYS 7 H LYS 7 -8.930 -5.629 -5.581 51 HA LYS 7 HA LYS 7 -7.858 -5.431 -2.978 52 HB2 LYS 7 2HB LYS 7 -6.528 -7.244 -3.576 53 HB3 LYS 7 1HB LYS 7 -7.870 -7.379 -4.707 54 HG2 LYS 7 2HG LYS 7 -6.407 -5.931 -6.289 55 HG3 LYS 7 1HG LYS 7 -5.074 -6.406 -5.236 56 HD2 LYS 7 2HD LYS 7 -5.627 -8.779 -5.615 57 HD3 LYS 7 1HD LYS 7 -6.967 -8.296 -6.658 58 HE2 LYS 7 2HE LYS 7 -4.085 -7.512 -7.168 59 HE3 LYS 7 1HE LYS 7 -4.859 -8.915 -7.906 60 HZ1 LYS 7 1HZ LYS 7 -5.140 -7.214 -9.448 61 HZ2 LYS 7 2HZ LYS 7 -5.507 -6.055 -8.262 62 HZ3 LYS 7 3HZ LYS 7 -6.632 -7.270 -8.644 63 H GLY 8 H GLY 8 -6.700 -4.302 -6.103 64 HA2 GLY 8 2HA GLY 8 -4.163 -3.454 -5.640 65 HA3 GLY 8 1HA GLY 8 -5.304 -2.506 -6.601 66 H ALA 9 H ALA 9 -7.098 -2.018 -4.342 67 HA ALA 9 HA ALA 9 -6.023 0.412 -3.408 68 HB1 ALA 9 1HB ALA 9 -8.477 -0.270 -3.526 69 HB2 ALA 9 2HB ALA 9 -7.981 0.595 -2.071 70 HB3 ALA 9 3HB ALA 9 -8.201 -1.154 -2.024 71 H ALA 10 H ALA 10 -6.372 -2.747 -1.806 72 HA ALA 10 HA ALA 10 -5.328 -2.024 0.693 73 HB1 ALA 10 1HB ALA 10 -5.078 -4.698 -0.704 74 HB2 ALA 10 2HB ALA 10 -6.481 -4.170 0.223 75 HB3 ALA 10 3HB ALA 10 -4.931 -4.406 1.030 76 H LYS 11 H LYS 11 -3.747 -2.816 -2.331 77 HA LYS 11 HA LYS 11 -1.127 -3.160 -1.232 78 HB2 LYS 11 2HB LYS 11 -1.982 -3.996 -3.495 79 HB3 LYS 11 1HB LYS 11 -1.753 -2.344 -4.067 80 HG2 LYS 11 2HG LYS 11 0.637 -2.537 -3.098 81 HG3 LYS 11 1HG LYS 11 0.328 -4.279 -3.040 82 HD2 LYS 11 2HD LYS 11 1.253 -4.105 -5.162 83 HD3 LYS 11 1HD LYS 11 -0.452 -3.883 -5.553 84 HE2 LYS 11 2HE LYS 11 0.636 -2.104 -6.676 85 HE3 LYS 11 1HE LYS 11 -0.006 -1.359 -5.212 86 HZ1 LYS 11 1HZ LYS 11 2.123 -0.640 -5.084 87 HZ2 LYS 11 2HZ LYS 11 2.757 -1.966 -5.936 88 HZ3 LYS 11 3HZ LYS 11 2.331 -2.129 -4.299 89 H ASP 12 H ASP 12 -2.931 -0.444 -2.585 90 HA ASP 12 HA ASP 12 -0.805 1.394 -2.774 91 HB2 ASP 12 2HB ASP 12 -2.908 1.872 -3.849 92 HB3 ASP 12 1HB ASP 12 -3.764 1.822 -2.303 93 H ILE 13 H ILE 13 -3.228 0.988 -0.177 94 HA ILE 13 HA ILE 13 -2.084 2.861 1.591 95 HB ILE 13 HB ILE 13 -3.863 0.465 2.047 96 HG12 ILE 13 2HG1 ILE 13 -5.360 2.548 2.717 97 HG13 ILE 13 1HG1 ILE 13 -4.214 3.439 1.713 98 HG21 ILE 13 1HG2 ILE 13 -2.706 2.448 4.010 99 HG22 ILE 13 2HG2 ILE 13 -2.741 0.689 4.126 100 HG23 ILE 13 3HG2 ILE 13 -4.228 1.614 4.326 101 HD11 ILE 13 1HD1 ILE 13 -5.717 0.968 0.793 102 HD12 ILE 13 2HD1 ILE 13 -4.701 2.017 -0.194 103 HD13 ILE 13 3HD1 ILE 13 -6.224 2.621 0.452 104 H ALA 14 H ALA 14 -1.668 -0.661 1.318 105 HA ALA 14 HA ALA 14 0.063 -0.989 3.512 106 HB1 ALA 14 1HB ALA 14 0.076 -2.593 0.948 107 HB2 ALA 14 2HB ALA 14 -1.077 -2.836 2.259 108 HB3 ALA 14 3HB ALA 14 0.641 -3.117 2.534 109 H GLY 15 H GLY 15 0.864 -0.713 0.041 110 HA2 GLY 15 2HA GLY 15 3.653 -0.622 0.348 111 HA3 GLY 15 1HA GLY 15 2.760 0.031 -1.029 112 H HIS 16 H HIS 16 1.341 1.610 1.350 113 HA HIS 16 HA HIS 16 2.875 4.013 0.937 114 HB2 HIS 16 2HB HIS 16 0.287 3.709 1.242 115 HB3 HIS 16 1HB HIS 16 0.691 3.808 2.950 116 HD2 HIS 16 2HD HIS 16 -0.873 6.362 1.430 117 HE1 HIS 16 1HE HIS 16 2.837 8.319 1.917 118 HE2 HIS 16 2HE HIS 16 0.365 8.662 1.451 119 H LEU 17 H LEU 17 2.315 1.752 3.582 120 HA LEU 17 HA LEU 17 3.622 3.249 5.605 121 HB2 LEU 17 2HB LEU 17 2.072 1.255 5.921 122 HB3 LEU 17 1HB LEU 17 3.443 0.237 5.470 123 HG LEU 17 HG LEU 17 4.709 1.651 7.316 124 HD11 LEU 17 1HD1 LEU 17 3.170 2.219 9.192 125 HD12 LEU 17 2HD1 LEU 17 1.796 1.874 8.141 126 HD13 LEU 17 3HD1 LEU 17 2.880 3.215 7.766 127 HD21 LEU 17 1HD2 LEU 17 2.724 -0.581 7.816 128 HD22 LEU 17 2HD2 LEU 17 3.871 -0.030 9.037 129 HD23 LEU 17 3HD2 LEU 17 4.457 -0.727 7.527 130 H ALA 18 H ALA 18 4.751 0.756 3.349 131 HA ALA 18 HA ALA 18 7.305 0.310 4.303 132 HB1 ALA 18 1HB ALA 18 7.920 -0.144 1.916 133 HB2 ALA 18 2HB ALA 18 6.343 0.486 1.440 134 HB3 ALA 18 3HB ALA 18 6.449 -0.963 2.440 135 H SER 19 H SER 19 6.258 2.860 2.043 136 HA SER 19 HA SER 19 8.714 4.078 1.589 137 HB2 SER 19 2HB SER 19 6.944 4.879 0.280 138 HB3 SER 19 1HB SER 19 5.897 5.124 1.676 139 HG SER 19 HG SER 19 6.775 7.015 1.981 140 H LYS 20 H LYS 20 6.442 4.540 4.268 141 HA LYS 20 HA LYS 20 7.770 6.690 5.508 142 HB2 LYS 20 2HB LYS 20 5.464 5.217 5.985 143 HB3 LYS 20 1HB LYS 20 6.487 4.859 7.378 144 HG2 LYS 20 2HG LYS 20 5.325 6.804 8.032 145 HG3 LYS 20 1HG LYS 20 6.887 7.415 7.494 146 HD2 LYS 20 2HD LYS 20 5.469 8.850 6.343 147 HD3 LYS 20 1HD LYS 20 5.654 7.569 5.146 148 HE2 LYS 20 2HE LYS 20 3.565 6.526 5.908 149 HE3 LYS 20 1HE LYS 20 3.387 7.761 7.154 150 HZ1 LYS 20 1HZ LYS 20 2.115 8.633 5.490 151 HZ2 LYS 20 2HZ LYS 20 3.078 7.992 4.246 152 HZ3 LYS 20 3HZ LYS 20 3.606 9.351 5.118 153 H VAL 21 H VAL 21 7.889 3.205 6.266 154 HA VAL 21 HA VAL 21 9.874 3.365 8.244 155 HB VAL 21 HB VAL 21 9.447 1.050 6.344 156 HG11 VAL 21 1HG1 VAL 21 10.223 -0.277 8.251 157 HG12 VAL 21 2HG1 VAL 21 10.359 1.180 9.236 158 HG13 VAL 21 3HG1 VAL 21 11.426 0.949 7.851 159 HG21 VAL 21 1HG2 VAL 21 7.793 0.271 8.040 160 HG22 VAL 21 2HG2 VAL 21 7.287 1.768 7.256 161 HG23 VAL 21 3HG2 VAL 21 7.966 1.810 8.883 162 H MET 22 H MET 22 10.117 3.010 4.730 163 HA MET 22 HA MET 22 12.884 2.521 4.581 164 HB2 MET 22 2HB MET 22 10.919 2.550 2.758 165 HB3 MET 22 1HB MET 22 11.590 4.148 2.444 166 HG2 MET 22 2HG MET 22 13.837 3.154 2.166 167 HG3 MET 22 1HG MET 22 13.157 1.547 2.468 168 HE1 MET 22 1HE MET 22 14.752 1.622 0.057 169 HE2 MET 22 2HE MET 22 13.696 0.992 -1.205 170 HE3 MET 22 3HE MET 22 13.639 0.292 0.411 171 H ASN 23 H ASN 23 11.039 5.552 4.426 172 HA ASN 23 HA ASN 23 13.379 7.199 4.234 173 HB2 ASN 23 2HB ASN 23 10.925 7.688 3.486 174 HB3 ASN 23 1HB ASN 23 10.737 8.222 5.158 175 HD21 ASN 23 1HD2 ASN 23 11.185 10.404 5.452 176 HD22 ASN 23 2HD2 ASN 23 12.251 11.315 4.497 177 H LYS 24 H LYS 24 11.349 6.012 6.827 178 HA LYS 24 HA LYS 24 12.644 7.709 8.810 179 HB2 LYS 24 2HB LYS 24 10.143 6.920 8.733 180 HB3 LYS 24 1HB LYS 24 10.797 5.484 9.508 181 HG2 LYS 24 2HG LYS 24 10.279 6.816 11.357 182 HG3 LYS 24 1HG LYS 24 11.980 7.190 11.105 183 HD2 LYS 24 2HD LYS 24 11.231 9.355 11.154 184 HD3 LYS 24 1HD LYS 24 10.859 9.040 9.460 185 HE2 LYS 24 2HE LYS 24 8.565 8.418 10.050 186 HE3 LYS 24 1HE LYS 24 8.928 8.639 11.761 187 HZ1 LYS 24 1HZ LYS 24 7.829 10.578 10.828 188 HZ2 LYS 24 2HZ LYS 24 9.068 10.752 9.679 189 HZ3 LYS 24 3HZ LYS 24 9.402 10.962 11.332 190 H LEU 25 H LEU 25 13.294 4.798 7.301 191 HA LEU 25 HA LEU 25 14.334 2.809 8.058 192 HB2 LEU 25 2HB LEU 25 16.767 3.428 8.475 193 HB3 LEU 25 1HB LEU 25 16.066 4.000 6.955 194 HG LEU 25 HG LEU 25 15.846 5.809 9.327 195 HD11 LEU 25 1HD1 LEU 25 18.418 5.201 7.858 196 HD12 LEU 25 2HD1 LEU 25 18.138 5.208 9.600 197 HD13 LEU 25 3HD1 LEU 25 18.147 6.726 8.701 198 HD21 LEU 25 1HD2 LEU 25 16.751 6.567 6.563 199 HD22 LEU 25 2HD2 LEU 25 15.755 7.476 7.701 200 HD23 LEU 25 3HD2 LEU 25 15.064 6.119 6.813 201 HN1 NH2 26 HN1 NH2 26 12.865 2.702 10.127 202 HN2 NH2 26 HN2 NH2 26 13.696 2.787 11.623 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -15.102 -8.874 -10.038 2 H2 GLY 1 2HT GLY 1 -14.075 -10.136 -10.529 3 H3 GLY 1 3HT GLY 1 -15.250 -9.528 -11.596 4 HA2 GLY 1 2HA GLY 1 -12.678 -8.789 -11.618 5 HA3 GLY 1 1HA GLY 1 -14.007 -7.791 -12.225 6 H VAL 2 H VAL 2 -15.272 -6.852 -10.093 7 HA VAL 2 HA VAL 2 -13.641 -4.794 -9.115 8 HB VAL 2 HB VAL 2 -16.133 -5.832 -7.757 9 HG11 VAL 2 1HG1 VAL 2 -14.690 -4.003 -6.704 10 HG12 VAL 2 2HG1 VAL 2 -16.378 -3.579 -6.991 11 HG13 VAL 2 3HG1 VAL 2 -15.124 -2.998 -8.086 12 HG21 VAL 2 1HG2 VAL 2 -17.301 -4.194 -9.301 13 HG22 VAL 2 2HG2 VAL 2 -16.672 -5.635 -10.101 14 HG23 VAL 2 3HG2 VAL 2 -15.803 -4.106 -10.227 15 H VAL 3 H VAL 3 -14.382 -7.974 -7.816 16 HA VAL 3 HA VAL 3 -13.434 -7.601 -5.191 17 HB VAL 3 HB VAL 3 -13.253 -10.153 -6.804 18 HG11 VAL 3 1HG1 VAL 3 -12.147 -10.036 -4.538 19 HG12 VAL 3 2HG1 VAL 3 -13.437 -11.234 -4.648 20 HG13 VAL 3 3HG1 VAL 3 -13.733 -9.691 -3.847 21 HG21 VAL 3 1HG2 VAL 3 -15.589 -8.840 -5.392 22 HG22 VAL 3 2HG2 VAL 3 -15.555 -10.560 -5.775 23 HG23 VAL 3 3HG2 VAL 3 -15.503 -9.366 -7.072 24 H ASP 4 H ASP 4 -11.761 -8.946 -8.044 25 HA ASP 4 HA ASP 4 -9.246 -9.216 -6.794 26 HB2 ASP 4 2HB ASP 4 -8.503 -9.928 -8.845 27 HB3 ASP 4 1HB ASP 4 -10.235 -10.064 -9.129 28 H ILE 5 H ILE 5 -10.548 -6.660 -8.895 29 HA ILE 5 HA ILE 5 -8.343 -4.995 -9.035 30 HB ILE 5 HB ILE 5 -11.241 -4.192 -8.817 31 HG12 ILE 5 2HG1 ILE 5 -10.062 -5.852 -10.688 32 HG13 ILE 5 1HG1 ILE 5 -11.528 -4.904 -10.943 33 HG21 ILE 5 1HG2 ILE 5 -10.439 -2.213 -10.158 34 HG22 ILE 5 2HG2 ILE 5 -8.789 -2.738 -9.813 35 HG23 ILE 5 3HG2 ILE 5 -9.857 -2.261 -8.495 36 HD11 ILE 5 1HD1 ILE 5 -10.276 -3.102 -11.923 37 HD12 ILE 5 2HD1 ILE 5 -9.755 -4.595 -12.703 38 HD13 ILE 5 3HD1 ILE 5 -8.743 -3.849 -11.466 39 H LEU 6 H LEU 6 -10.525 -5.519 -6.347 40 HA LEU 6 HA LEU 6 -9.964 -3.195 -4.870 41 HB2 LEU 6 2HB LEU 6 -11.277 -4.141 -3.269 42 HB3 LEU 6 1HB LEU 6 -11.646 -5.297 -4.548 43 HG LEU 6 HG LEU 6 -9.620 -6.642 -3.677 44 HD11 LEU 6 1HD1 LEU 6 -8.435 -5.764 -1.973 45 HD12 LEU 6 2HD1 LEU 6 -9.869 -5.829 -0.953 46 HD13 LEU 6 3HD1 LEU 6 -9.522 -4.380 -1.893 47 HD21 LEU 6 1HD2 LEU 6 -11.004 -7.779 -2.046 48 HD22 LEU 6 2HD2 LEU 6 -12.056 -7.204 -3.338 49 HD23 LEU 6 3HD2 LEU 6 -11.986 -6.336 -1.806 50 H LYS 7 H LYS 7 -8.163 -6.154 -5.329 51 HA LYS 7 HA LYS 7 -6.398 -5.859 -3.117 52 HB2 LYS 7 2HB LYS 7 -5.315 -7.720 -3.969 53 HB3 LYS 7 1HB LYS 7 -6.900 -7.882 -4.719 54 HG2 LYS 7 2HG LYS 7 -5.867 -6.491 -6.667 55 HG3 LYS 7 1HG LYS 7 -4.321 -6.978 -5.971 56 HD2 LYS 7 2HD LYS 7 -5.043 -9.351 -6.108 57 HD3 LYS 7 1HD LYS 7 -6.552 -8.825 -6.858 58 HE2 LYS 7 2HE LYS 7 -5.111 -7.677 -8.629 59 HE3 LYS 7 1HE LYS 7 -3.747 -8.575 -7.963 60 HZ1 LYS 7 1HZ LYS 7 -5.655 -9.471 -9.778 61 HZ2 LYS 7 2HZ LYS 7 -5.916 -10.324 -8.332 62 HZ3 LYS 7 3HZ LYS 7 -4.390 -10.356 -9.078 63 H GLY 8 H GLY 8 -6.269 -4.859 -6.490 64 HA2 GLY 8 2HA GLY 8 -3.634 -3.862 -6.526 65 HA3 GLY 8 1HA GLY 8 -4.935 -3.350 -7.607 66 H ALA 9 H ALA 9 -6.710 -2.347 -5.640 67 HA ALA 9 HA ALA 9 -5.737 0.293 -5.351 68 HB1 ALA 9 1HB ALA 9 -8.154 -0.368 -5.488 69 HB2 ALA 9 2HB ALA 9 -7.788 0.736 -4.162 70 HB3 ALA 9 3HB ALA 9 -8.026 -0.982 -3.839 71 H ALA 10 H ALA 10 -6.199 -2.329 -2.987 72 HA ALA 10 HA ALA 10 -5.407 -0.979 -0.685 73 HB1 ALA 10 1HB ALA 10 -4.830 -3.205 0.214 74 HB2 ALA 10 2HB ALA 10 -4.931 -3.879 -1.413 75 HB3 ALA 10 3HB ALA 10 -6.375 -3.228 -0.636 76 H LYS 11 H LYS 11 -3.497 -2.267 -3.310 77 HA LYS 11 HA LYS 11 -0.979 -2.153 -1.947 78 HB2 LYS 11 2HB LYS 11 -1.671 -3.467 -4.111 79 HB3 LYS 11 1HB LYS 11 -1.229 -1.972 -4.934 80 HG2 LYS 11 2HG LYS 11 0.980 -2.063 -3.676 81 HG3 LYS 11 1HG LYS 11 0.529 -3.698 -3.172 82 HD2 LYS 11 2HD LYS 11 0.178 -4.213 -5.651 83 HD3 LYS 11 1HD LYS 11 0.994 -2.685 -5.984 84 HE2 LYS 11 2HE LYS 11 2.892 -3.535 -4.495 85 HE3 LYS 11 1HE LYS 11 2.113 -5.115 -4.577 86 HZ1 LYS 11 1HZ LYS 11 3.832 -3.999 -6.430 87 HZ2 LYS 11 2HZ LYS 11 2.297 -3.970 -7.158 88 HZ3 LYS 11 3HZ LYS 11 2.944 -5.435 -6.590 89 H ASP 12 H ASP 12 -2.826 0.048 -3.990 90 HA ASP 12 HA ASP 12 -0.860 1.972 -4.499 91 HB2 ASP 12 2HB ASP 12 -3.200 1.861 -5.473 92 HB3 ASP 12 1HB ASP 12 -3.770 2.587 -3.966 93 H ILE 13 H ILE 13 -3.228 1.856 -1.824 94 HA ILE 13 HA ILE 13 -2.075 4.121 -0.490 95 HB ILE 13 HB ILE 13 -4.029 2.010 0.454 96 HG12 ILE 13 2HG1 ILE 13 -5.385 4.371 0.363 97 HG13 ILE 13 1HG1 ILE 13 -4.232 4.636 -0.950 98 HG21 ILE 13 1HG2 ILE 13 -2.998 2.853 2.423 99 HG22 ILE 13 2HG2 ILE 13 -4.479 3.796 2.247 100 HG23 ILE 13 3HG2 ILE 13 -2.928 4.494 1.780 101 HD11 ILE 13 1HD1 ILE 13 -6.124 2.280 -0.670 102 HD12 ILE 13 2HD1 ILE 13 -4.917 2.456 -1.942 103 HD13 ILE 13 3HD1 ILE 13 -6.258 3.596 -1.836 104 H ALA 14 H ALA 14 -2.126 0.624 0.220 105 HA ALA 14 HA ALA 14 -0.529 0.605 2.479 106 HB1 ALA 14 1HB ALA 14 0.033 -1.706 1.896 107 HB2 ALA 14 2HB ALA 14 -0.520 -1.436 0.243 108 HB3 ALA 14 3HB ALA 14 -1.673 -1.391 1.577 109 H GLY 15 H GLY 15 0.421 0.781 -0.913 110 HA2 GLY 15 2HA GLY 15 3.144 0.318 -0.758 111 HA3 GLY 15 1HA GLY 15 2.399 1.451 -1.891 112 H HIS 16 H HIS 16 1.324 3.135 0.279 113 HA HIS 16 HA HIS 16 3.523 4.915 0.541 114 HB2 HIS 16 2HB HIS 16 1.928 6.395 1.156 115 HB3 HIS 16 1HB HIS 16 0.773 5.115 0.796 116 HD2 HIS 16 2HD HIS 16 0.247 3.429 3.240 117 HE1 HIS 16 1HE HIS 16 1.047 6.676 5.816 118 HE2 HIS 16 2HE HIS 16 0.029 4.355 5.672 119 H LEU 17 H LEU 17 1.997 2.600 2.731 120 HA LEU 17 HA LEU 17 3.167 3.245 5.139 121 HB2 LEU 17 2HB LEU 17 1.520 1.359 4.623 122 HB3 LEU 17 1HB LEU 17 2.930 0.398 4.164 123 HG LEU 17 HG LEU 17 3.845 1.234 6.520 124 HD11 LEU 17 1HD1 LEU 17 0.877 1.104 7.079 125 HD12 LEU 17 2HD1 LEU 17 1.700 2.636 6.790 126 HD13 LEU 17 3HD1 LEU 17 2.169 1.628 8.158 127 HD21 LEU 17 1HD2 LEU 17 2.672 -0.811 7.541 128 HD22 LEU 17 2HD2 LEU 17 3.615 -1.099 6.079 129 HD23 LEU 17 3HD2 LEU 17 1.859 -0.985 5.985 130 H ALA 18 H ALA 18 4.612 1.643 2.364 131 HA ALA 18 HA ALA 18 6.959 0.679 3.570 132 HB1 ALA 18 1HB ALA 18 6.350 0.013 1.321 133 HB2 ALA 18 2HB ALA 18 7.925 0.805 1.272 134 HB3 ALA 18 3HB ALA 18 6.483 1.677 0.753 135 H SER 19 H SER 19 6.095 3.875 2.373 136 HA SER 19 HA SER 19 8.646 5.052 2.380 137 HB2 SER 19 2HB SER 19 6.550 6.060 1.423 138 HB3 SER 19 1HB SER 19 6.041 6.425 3.069 139 HG SER 19 HG SER 19 7.924 7.670 3.302 140 H LYS 20 H LYS 20 6.199 4.795 4.946 141 HA LYS 20 HA LYS 20 7.550 6.291 6.897 142 HB2 LYS 20 2HB LYS 20 5.189 4.742 6.742 143 HB3 LYS 20 1HB LYS 20 6.114 4.115 8.110 144 HG2 LYS 20 2HG LYS 20 4.770 5.879 8.995 145 HG3 LYS 20 1HG LYS 20 6.396 6.544 8.854 146 HD2 LYS 20 2HD LYS 20 5.214 8.252 7.836 147 HD3 LYS 20 1HD LYS 20 5.508 7.236 6.426 148 HE2 LYS 20 2HE LYS 20 3.171 7.785 6.402 149 HE3 LYS 20 1HE LYS 20 3.287 6.102 6.918 150 HZ1 LYS 20 1HZ LYS 20 2.554 6.592 8.962 151 HZ2 LYS 20 2HZ LYS 20 1.932 7.998 8.237 152 HZ3 LYS 20 3HZ LYS 20 3.421 8.047 9.053 153 H VAL 21 H VAL 21 7.665 2.824 6.148 154 HA VAL 21 HA VAL 21 9.399 2.082 8.252 155 HB VAL 21 HB VAL 21 9.139 0.795 5.525 156 HG11 VAL 21 1HG1 VAL 21 9.804 -1.245 6.789 157 HG12 VAL 21 2HG1 VAL 21 10.038 -0.252 8.227 158 HG13 VAL 21 3HG1 VAL 21 11.061 -0.009 6.811 159 HG21 VAL 21 1HG2 VAL 21 7.575 0.358 8.090 160 HG22 VAL 21 2HG2 VAL 21 7.436 -0.631 6.636 161 HG23 VAL 21 3HG2 VAL 21 6.943 1.062 6.603 162 H MET 22 H MET 22 10.014 3.162 4.933 163 HA MET 22 HA MET 22 12.791 2.720 4.888 164 HB2 MET 22 2HB MET 22 11.031 3.527 3.040 165 HB3 MET 22 1HB MET 22 11.683 5.103 3.475 166 HG2 MET 22 2HG MET 22 13.983 4.237 3.079 167 HG3 MET 22 1HG MET 22 13.289 2.691 2.568 168 HE1 MET 22 1HE MET 22 14.216 2.501 0.427 169 HE2 MET 22 2HE MET 22 15.190 3.968 0.498 170 HE3 MET 22 3HE MET 22 14.178 3.659 -0.910 171 H ASN 23 H ASN 23 10.917 5.609 5.773 172 HA ASN 23 HA ASN 23 13.128 7.246 6.392 173 HB2 ASN 23 2HB ASN 23 11.553 8.801 6.922 174 HB3 ASN 23 1HB ASN 23 10.465 7.656 6.137 175 HD21 ASN 23 1HD2 ASN 23 11.797 8.449 9.395 176 HD22 ASN 23 2HD2 ASN 23 10.415 7.941 10.238 177 H LYS 24 H LYS 24 11.207 4.996 8.326 178 HA LYS 24 HA LYS 24 12.388 5.674 10.827 179 HB2 LYS 24 2HB LYS 24 10.184 4.370 10.275 180 HB3 LYS 24 1HB LYS 24 11.256 2.976 10.274 181 HG2 LYS 24 2HG LYS 24 10.586 3.060 12.515 182 HG3 LYS 24 1HG LYS 24 12.108 3.938 12.551 183 HD2 LYS 24 2HD LYS 24 10.382 5.969 11.966 184 HD3 LYS 24 1HD LYS 24 9.362 4.930 12.954 185 HE2 LYS 24 2HE LYS 24 10.439 6.400 14.489 186 HE3 LYS 24 1HE LYS 24 11.287 4.860 14.634 187 HZ1 LYS 24 1HZ LYS 24 13.017 6.323 14.407 188 HZ2 LYS 24 2HZ LYS 24 12.169 7.357 13.359 189 HZ3 LYS 24 3HZ LYS 24 12.776 5.877 12.788 190 H LEU 25 H LEU 25 13.052 3.188 8.397 191 HA LEU 25 HA LEU 25 15.789 2.976 9.317 192 HB2 LEU 25 2HB LEU 25 15.710 0.565 9.748 193 HB3 LEU 25 1HB LEU 25 14.634 1.435 10.851 194 HG LEU 25 HG LEU 25 12.956 0.925 8.721 195 HD11 LEU 25 1HD1 LEU 25 13.270 -1.469 8.167 196 HD12 LEU 25 2HD1 LEU 25 14.779 -1.475 9.079 197 HD13 LEU 25 3HD1 LEU 25 14.636 -0.498 7.619 198 HD21 LEU 25 1HD2 LEU 25 13.500 -0.739 11.197 199 HD22 LEU 25 2HD2 LEU 25 12.069 -0.922 10.183 200 HD23 LEU 25 3HD2 LEU 25 12.351 0.590 11.046 201 HN1 NH2 26 HN1 NH2 26 13.237 1.747 7.130 202 HN2 NH2 26 HN2 NH2 26 14.293 1.474 5.809 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -11.028 -7.200 -13.773 2 H2 GLY 1 2HT GLY 1 -11.573 -8.533 -14.674 3 H3 GLY 1 3HT GLY 1 -10.541 -8.767 -13.345 4 HA2 GLY 1 2HA GLY 1 -13.413 -8.190 -13.405 5 HA3 GLY 1 1HA GLY 1 -12.507 -9.295 -12.359 6 H VAL 2 H VAL 2 -14.418 -7.359 -11.461 7 HA VAL 2 HA VAL 2 -13.207 -4.989 -10.494 8 HB VAL 2 HB VAL 2 -15.505 -6.456 -9.194 9 HG11 VAL 2 1HG1 VAL 2 -16.164 -4.280 -8.450 10 HG12 VAL 2 2HG1 VAL 2 -15.009 -3.489 -9.522 11 HG13 VAL 2 3HG1 VAL 2 -14.436 -4.398 -8.124 12 HG21 VAL 2 1HG2 VAL 2 -16.942 -5.143 -10.768 13 HG22 VAL 2 2HG2 VAL 2 -15.950 -6.346 -11.592 14 HG23 VAL 2 3HG2 VAL 2 -15.486 -4.645 -11.629 15 H VAL 3 H VAL 3 -13.519 -8.243 -9.163 16 HA VAL 3 HA VAL 3 -12.667 -7.731 -6.541 17 HB VAL 3 HB VAL 3 -12.099 -10.220 -8.163 18 HG11 VAL 3 1HG1 VAL 3 -10.945 -10.069 -5.980 19 HG12 VAL 3 2HG1 VAL 3 -12.194 -11.316 -5.957 20 HG13 VAL 3 3HG1 VAL 3 -12.491 -9.756 -5.190 21 HG21 VAL 3 1HG2 VAL 3 -14.463 -9.679 -8.350 22 HG22 VAL 3 2HG2 VAL 3 -14.566 -9.358 -6.620 23 HG23 VAL 3 3HG2 VAL 3 -14.285 -11.000 -7.197 24 H ASP 4 H ASP 4 -10.832 -8.319 -9.503 25 HA ASP 4 HA ASP 4 -8.285 -8.548 -8.312 26 HB2 ASP 4 2HB ASP 4 -9.059 -9.066 -10.736 27 HB3 ASP 4 1HB ASP 4 -8.688 -7.372 -11.022 28 H ILE 5 H ILE 5 -9.942 -5.754 -9.765 29 HA ILE 5 HA ILE 5 -7.964 -3.842 -9.460 30 HB ILE 5 HB ILE 5 -10.934 -3.463 -9.107 31 HG12 ILE 5 2HG1 ILE 5 -9.621 -4.530 -11.292 32 HG13 ILE 5 1HG1 ILE 5 -11.183 -3.709 -11.342 33 HG21 ILE 5 1HG2 ILE 5 -9.765 -1.508 -8.358 34 HG22 ILE 5 2HG2 ILE 5 -10.388 -1.161 -9.970 35 HG23 ILE 5 3HG2 ILE 5 -8.682 -1.556 -9.749 36 HD11 ILE 5 1HD1 ILE 5 -10.143 -1.614 -11.890 37 HD12 ILE 5 2HD1 ILE 5 -9.479 -2.834 -12.976 38 HD13 ILE 5 3HD1 ILE 5 -8.534 -2.275 -11.598 39 H LEU 6 H LEU 6 -10.037 -5.267 -7.030 40 HA LEU 6 HA LEU 6 -9.767 -3.307 -5.029 41 HB2 LEU 6 2HB LEU 6 -10.982 -4.742 -3.752 42 HB3 LEU 6 1HB LEU 6 -11.188 -5.608 -5.274 43 HG LEU 6 HG LEU 6 -9.024 -6.871 -4.646 44 HD11 LEU 6 1HD1 LEU 6 -7.983 -6.278 -2.737 45 HD12 LEU 6 2HD1 LEU 6 -9.416 -6.740 -1.821 46 HD13 LEU 6 3HD1 LEU 6 -9.232 -5.084 -2.394 47 HD21 LEU 6 1HD2 LEU 6 -10.285 -8.495 -3.340 48 HD22 LEU 6 2HD2 LEU 6 -11.349 -7.804 -4.562 49 HD23 LEU 6 3HD2 LEU 6 -11.464 -7.266 -2.887 50 H LYS 7 H LYS 7 -7.619 -5.851 -6.107 51 HA LYS 7 HA LYS 7 -5.943 -6.046 -3.865 52 HB2 LYS 7 2HB LYS 7 -4.448 -7.170 -5.274 53 HB3 LYS 7 1HB LYS 7 -6.008 -7.424 -6.050 54 HG2 LYS 7 2HG LYS 7 -5.445 -5.277 -7.401 55 HG3 LYS 7 1HG LYS 7 -3.785 -5.577 -6.883 56 HD2 LYS 7 2HD LYS 7 -3.912 -7.852 -7.835 57 HD3 LYS 7 1HD LYS 7 -5.570 -7.537 -8.350 58 HE2 LYS 7 2HE LYS 7 -3.204 -5.858 -9.223 59 HE3 LYS 7 1HE LYS 7 -3.838 -7.208 -10.163 60 HZ1 LYS 7 1HZ LYS 7 -6.075 -5.969 -9.840 61 HZ2 LYS 7 2HZ LYS 7 -4.988 -5.446 -11.037 62 HZ3 LYS 7 3HZ LYS 7 -5.090 -4.619 -9.556 63 H GLY 8 H GLY 8 -5.766 -3.922 -6.682 64 HA2 GLY 8 2HA GLY 8 -3.395 -2.565 -5.956 65 HA3 GLY 8 1HA GLY 8 -4.625 -1.958 -7.070 66 H ALA 9 H ALA 9 -6.665 -2.290 -4.841 67 HA ALA 9 HA ALA 9 -6.485 0.389 -3.843 68 HB1 ALA 9 1HB ALA 9 -8.624 -0.865 -4.361 69 HB2 ALA 9 2HB ALA 9 -8.594 -0.042 -2.802 70 HB3 ALA 9 3HB ALA 9 -8.349 -1.786 -2.882 71 H ALA 10 H ALA 10 -6.383 -2.810 -2.261 72 HA ALA 10 HA ALA 10 -5.876 -1.924 0.340 73 HB1 ALA 10 1HB ALA 10 -5.047 -4.469 -1.068 74 HB2 ALA 10 2HB ALA 10 -6.464 -4.223 -0.045 75 HB3 ALA 10 3HB ALA 10 -4.849 -4.201 0.664 76 H LYS 11 H LYS 11 -3.744 -2.258 -2.411 77 HA LYS 11 HA LYS 11 -1.276 -2.190 -1.040 78 HB2 LYS 11 2HB LYS 11 -2.129 -1.480 -3.841 79 HB3 LYS 11 1HB LYS 11 -0.462 -1.328 -3.309 80 HG2 LYS 11 2HG LYS 11 -1.968 -3.902 -2.872 81 HG3 LYS 11 1HG LYS 11 -1.211 -3.560 -4.434 82 HD2 LYS 11 2HD LYS 11 0.935 -3.069 -3.093 83 HD3 LYS 11 1HD LYS 11 0.123 -3.846 -1.734 84 HE2 LYS 11 2HE LYS 11 -0.324 -5.801 -3.362 85 HE3 LYS 11 1HE LYS 11 0.900 -5.052 -4.388 86 HZ1 LYS 11 1HZ LYS 11 1.664 -5.282 -1.620 87 HZ2 LYS 11 2HZ LYS 11 2.534 -5.675 -3.024 88 HZ3 LYS 11 3HZ LYS 11 1.411 -6.775 -2.381 89 H ASP 12 H ASP 12 -3.444 0.324 -2.235 90 HA ASP 12 HA ASP 12 -1.761 2.544 -1.989 91 HB2 ASP 12 2HB ASP 12 -3.982 2.610 -3.064 92 HB3 ASP 12 1HB ASP 12 -4.743 2.411 -1.479 93 H ILE 13 H ILE 13 -3.985 1.129 0.415 94 HA ILE 13 HA ILE 13 -3.240 2.964 2.481 95 HB ILE 13 HB ILE 13 -4.640 0.283 2.614 96 HG12 ILE 13 2HG1 ILE 13 -6.485 2.212 3.234 97 HG13 ILE 13 1HG1 ILE 13 -5.487 3.082 2.064 98 HG21 ILE 13 1HG2 ILE 13 -3.726 0.697 4.778 99 HG22 ILE 13 2HG2 ILE 13 -5.403 1.233 4.863 100 HG23 ILE 13 3HG2 ILE 13 -4.108 2.416 4.691 101 HD11 ILE 13 1HD1 ILE 13 -5.716 0.938 0.609 102 HD12 ILE 13 2HD1 ILE 13 -7.104 2.020 0.719 103 HD13 ILE 13 3HD1 ILE 13 -7.063 0.540 1.677 104 H ALA 14 H ALA 14 -2.453 -0.453 1.837 105 HA ALA 14 HA ALA 14 -0.756 -0.845 4.038 106 HB1 ALA 14 1HB ALA 14 -1.580 -2.712 2.709 107 HB2 ALA 14 2HB ALA 14 0.184 -2.722 2.712 108 HB3 ALA 14 3HB ALA 14 -0.692 -2.131 1.298 109 H GLY 15 H GLY 15 0.116 -0.093 0.656 110 HA2 GLY 15 2HA GLY 15 2.871 0.227 1.081 111 HA3 GLY 15 1HA GLY 15 1.956 0.948 -0.248 112 H HIS 16 H HIS 16 0.376 2.054 2.340 113 HA HIS 16 HA HIS 16 1.603 4.655 2.196 114 HB2 HIS 16 2HB HIS 16 -0.915 4.016 2.521 115 HB3 HIS 16 1HB HIS 16 -0.463 3.938 4.218 116 HD2 HIS 16 2HD HIS 16 -1.210 6.612 1.529 117 HE1 HIS 16 1HE HIS 16 0.262 8.656 4.917 118 HE2 HIS 16 2HE HIS 16 -0.844 8.942 2.648 119 H LEU 17 H LEU 17 1.204 2.182 4.717 120 HA LEU 17 HA LEU 17 2.560 3.588 6.756 121 HB2 LEU 17 2HB LEU 17 1.141 1.698 7.295 122 HB3 LEU 17 1HB LEU 17 2.152 0.617 6.330 123 HG LEU 17 HG LEU 17 4.034 0.954 7.846 124 HD11 LEU 17 1HD1 LEU 17 2.199 3.030 9.030 125 HD12 LEU 17 2HD1 LEU 17 3.901 3.177 8.589 126 HD13 LEU 17 3HD1 LEU 17 3.439 2.271 10.028 127 HD21 LEU 17 1HD2 LEU 17 1.386 0.305 9.160 128 HD22 LEU 17 2HD2 LEU 17 2.926 0.109 9.996 129 HD23 LEU 17 3HD2 LEU 17 2.591 -0.821 8.535 130 H ALA 18 H ALA 18 3.677 1.157 4.413 131 HA ALA 18 HA ALA 18 6.294 0.833 5.257 132 HB1 ALA 18 1HB ALA 18 5.294 -0.474 3.434 133 HB2 ALA 18 2HB ALA 18 6.817 0.252 2.922 134 HB3 ALA 18 3HB ALA 18 5.286 0.958 2.405 135 H SER 19 H SER 19 4.809 3.574 3.725 136 HA SER 19 HA SER 19 6.981 4.874 2.584 137 HB2 SER 19 2HB SER 19 4.544 5.596 2.558 138 HB3 SER 19 1HB SER 19 4.817 6.274 4.161 139 HG SER 19 HG SER 19 6.598 6.877 2.079 140 H LYS 20 H LYS 20 5.957 4.762 5.967 141 HA LYS 20 HA LYS 20 7.777 6.671 6.961 142 HB2 LYS 20 2HB LYS 20 5.881 4.777 8.026 143 HB3 LYS 20 1HB LYS 20 7.363 4.753 8.988 144 HG2 LYS 20 2HG LYS 20 5.932 6.442 9.936 145 HG3 LYS 20 1HG LYS 20 7.222 7.283 9.080 146 HD2 LYS 20 2HD LYS 20 5.385 8.438 8.260 147 HD3 LYS 20 1HD LYS 20 5.496 7.159 7.053 148 HE2 LYS 20 2HE LYS 20 3.217 7.149 7.676 149 HE3 LYS 20 1HE LYS 20 3.912 5.827 8.614 150 HZ1 LYS 20 1HZ LYS 20 2.532 7.983 9.597 151 HZ2 LYS 20 2HZ LYS 20 4.155 8.313 9.976 152 HZ3 LYS 20 3HZ LYS 20 3.435 6.865 10.498 153 H VAL 21 H VAL 21 7.974 3.115 6.849 154 HA VAL 21 HA VAL 21 10.605 2.958 7.902 155 HB VAL 21 HB VAL 21 9.320 0.941 6.059 156 HG11 VAL 21 1HG1 VAL 21 11.209 0.665 8.417 157 HG12 VAL 21 2HG1 VAL 21 11.699 0.612 6.724 158 HG13 VAL 21 3HG1 VAL 21 10.644 -0.640 7.376 159 HG21 VAL 21 1HG2 VAL 21 7.651 1.481 7.721 160 HG22 VAL 21 2HG2 VAL 21 8.856 1.468 9.009 161 HG23 VAL 21 3HG2 VAL 21 8.407 -0.036 8.207 162 H MET 22 H MET 22 9.325 3.313 4.644 163 HA MET 22 HA MET 22 11.559 2.667 3.127 164 HB2 MET 22 2HB MET 22 9.091 3.618 2.545 165 HB3 MET 22 1HB MET 22 10.041 5.077 2.274 166 HG2 MET 22 2HG MET 22 11.519 3.852 0.737 167 HG3 MET 22 1HG MET 22 10.611 2.363 1.034 168 HE1 MET 22 1HE MET 22 10.317 6.091 -0.079 169 HE2 MET 22 2HE MET 22 9.657 5.842 -1.692 170 HE3 MET 22 3HE MET 22 11.201 5.114 -1.259 171 H ASN 23 H ASN 23 10.712 5.760 4.651 172 HA ASN 23 HA ASN 23 12.967 7.195 3.731 173 HB2 ASN 23 2HB ASN 23 12.051 8.923 4.882 174 HB3 ASN 23 1HB ASN 23 10.668 7.840 5.051 175 HD21 ASN 23 1HD2 ASN 23 13.730 8.735 6.734 176 HD22 ASN 23 2HD2 ASN 23 13.128 8.433 8.292 177 H LYS 24 H LYS 24 12.455 5.017 6.416 178 HA LYS 24 HA LYS 24 14.843 5.731 7.835 179 HB2 LYS 24 2HB LYS 24 12.706 4.561 8.724 180 HB3 LYS 24 1HB LYS 24 13.458 3.102 8.101 181 HG2 LYS 24 2HG LYS 24 14.520 2.997 10.109 182 HG3 LYS 24 1HG LYS 24 15.556 4.266 9.463 183 HD2 LYS 24 2HD LYS 24 12.987 4.772 10.997 184 HD3 LYS 24 1HD LYS 24 14.599 4.825 11.708 185 HE2 LYS 24 2HE LYS 24 15.208 6.564 9.975 186 HE3 LYS 24 1HE LYS 24 13.504 6.609 9.519 187 HZ1 LYS 24 1HZ LYS 24 13.268 8.090 11.137 188 HZ2 LYS 24 2HZ LYS 24 14.810 7.773 11.777 189 HZ3 LYS 24 3HZ LYS 24 13.484 6.817 12.238 190 H LEU 25 H LEU 25 13.944 2.742 6.108 191 HA LEU 25 HA LEU 25 16.574 2.600 4.881 192 HB2 LEU 25 2HB LEU 25 17.115 0.393 5.810 193 HB3 LEU 25 1HB LEU 25 16.983 1.602 7.094 194 HG LEU 25 HG LEU 25 14.385 0.695 6.923 195 HD11 LEU 25 1HD1 LEU 25 16.233 -1.669 6.469 196 HD12 LEU 25 2HD1 LEU 25 15.005 -1.089 5.345 197 HD13 LEU 25 3HD1 LEU 25 14.526 -1.780 6.895 198 HD21 LEU 25 1HD2 LEU 25 15.611 1.013 9.002 199 HD22 LEU 25 2HD2 LEU 25 16.668 -0.348 8.627 200 HD23 LEU 25 3HD2 LEU 25 14.962 -0.628 8.975 201 HN1 NH2 26 HN1 NH2 26 13.244 1.876 4.925 202 HN2 NH2 26 HN2 NH2 26 13.219 0.828 3.570 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -11.667 -9.705 -13.904 2 H2 GLY 1 2HT GLY 1 -12.938 -8.656 -13.488 3 H3 GLY 1 3HT GLY 1 -12.199 -9.614 -12.296 4 HA2 GLY 1 2HA GLY 1 -10.126 -8.415 -12.558 5 HA3 GLY 1 1HA GLY 1 -10.883 -7.426 -13.816 6 H VAL 2 H VAL 2 -13.469 -7.295 -12.536 7 HA VAL 2 HA VAL 2 -13.204 -4.961 -11.028 8 HB VAL 2 HB VAL 2 -15.477 -6.947 -10.826 9 HG11 VAL 2 1HG1 VAL 2 -15.266 -3.948 -10.427 10 HG12 VAL 2 2HG1 VAL 2 -15.595 -5.154 -9.183 11 HG13 VAL 2 3HG1 VAL 2 -16.784 -4.843 -10.448 12 HG21 VAL 2 1HG2 VAL 2 -14.925 -6.445 -13.188 13 HG22 VAL 2 2HG2 VAL 2 -15.012 -4.719 -12.836 14 HG23 VAL 2 3HG2 VAL 2 -16.462 -5.716 -12.722 15 H VAL 3 H VAL 3 -13.232 -8.334 -10.039 16 HA VAL 3 HA VAL 3 -13.478 -7.834 -7.236 17 HB VAL 3 HB VAL 3 -12.223 -10.254 -8.540 18 HG11 VAL 3 1HG1 VAL 3 -11.979 -10.183 -6.126 19 HG12 VAL 3 2HG1 VAL 3 -13.230 -11.362 -6.523 20 HG13 VAL 3 3HG1 VAL 3 -13.681 -9.765 -5.927 21 HG21 VAL 3 1HG2 VAL 3 -14.390 -9.764 -9.613 22 HG22 VAL 3 2HG2 VAL 3 -15.154 -9.645 -8.028 23 HG23 VAL 3 3HG2 VAL 3 -14.515 -11.192 -8.584 24 H ASP 4 H ASP 4 -10.738 -8.397 -9.416 25 HA ASP 4 HA ASP 4 -8.726 -8.407 -7.431 26 HB2 ASP 4 2HB ASP 4 -7.266 -8.601 -9.184 27 HB3 ASP 4 1HB ASP 4 -8.750 -8.975 -10.055 28 H ILE 5 H ILE 5 -10.015 -5.833 -9.499 29 HA ILE 5 HA ILE 5 -8.336 -3.746 -8.795 30 HB ILE 5 HB ILE 5 -11.304 -3.600 -9.306 31 HG12 ILE 5 2HG1 ILE 5 -9.367 -4.668 -10.961 32 HG13 ILE 5 1HG1 ILE 5 -10.901 -3.979 -11.499 33 HG21 ILE 5 1HG2 ILE 5 -10.688 -1.307 -10.152 34 HG22 ILE 5 2HG2 ILE 5 -9.093 -1.549 -9.435 35 HG23 ILE 5 3HG2 ILE 5 -10.526 -1.518 -8.409 36 HD11 ILE 5 1HD1 ILE 5 -8.862 -3.057 -12.657 37 HD12 ILE 5 2HD1 ILE 5 -8.385 -2.347 -11.115 38 HD13 ILE 5 3HD1 ILE 5 -9.886 -1.841 -11.896 39 H LEU 6 H LEU 6 -11.108 -5.055 -7.032 40 HA LEU 6 HA LEU 6 -11.347 -2.997 -5.128 41 HB2 LEU 6 2HB LEU 6 -12.970 -4.307 -4.224 42 HB3 LEU 6 1HB LEU 6 -12.754 -5.253 -5.697 43 HG LEU 6 HG LEU 6 -10.942 -6.546 -4.362 44 HD11 LEU 6 1HD1 LEU 6 -11.675 -4.631 -2.395 45 HD12 LEU 6 2HD1 LEU 6 -10.600 -6.012 -2.197 46 HD13 LEU 6 3HD1 LEU 6 -12.319 -6.176 -1.845 47 HD21 LEU 6 1HD2 LEU 6 -12.792 -7.907 -3.218 48 HD22 LEU 6 2HD2 LEU 6 -12.956 -7.663 -4.957 49 HD23 LEU 6 3HD2 LEU 6 -13.914 -6.694 -3.835 50 H LYS 7 H LYS 7 -9.189 -5.757 -5.340 51 HA LYS 7 HA LYS 7 -8.212 -5.539 -2.661 52 HB2 LYS 7 2HB LYS 7 -7.816 -7.656 -3.395 53 HB3 LYS 7 1HB LYS 7 -7.606 -7.145 -5.060 54 HG2 LYS 7 2HG LYS 7 -5.512 -6.319 -3.085 55 HG3 LYS 7 1HG LYS 7 -5.547 -8.005 -3.590 56 HD2 LYS 7 2HD LYS 7 -5.012 -7.522 -5.786 57 HD3 LYS 7 1HD LYS 7 -5.744 -5.921 -5.728 58 HE2 LYS 7 2HE LYS 7 -3.338 -5.645 -5.828 59 HE3 LYS 7 1HE LYS 7 -3.868 -5.198 -4.207 60 HZ1 LYS 7 1HZ LYS 7 -2.903 -7.911 -4.909 61 HZ2 LYS 7 2HZ LYS 7 -3.170 -7.273 -3.357 62 HZ3 LYS 7 3HZ LYS 7 -1.887 -6.693 -4.308 63 H GLY 8 H GLY 8 -7.244 -4.292 -5.808 64 HA2 GLY 8 2HA GLY 8 -4.701 -3.339 -5.300 65 HA3 GLY 8 1HA GLY 8 -5.857 -2.536 -6.368 66 H ALA 9 H ALA 9 -7.652 -2.358 -3.848 67 HA ALA 9 HA ALA 9 -7.032 0.328 -3.199 68 HB1 ALA 9 1HB ALA 9 -9.301 -0.428 -2.982 69 HB2 ALA 9 2HB ALA 9 -8.731 -0.012 -1.366 70 HB3 ALA 9 3HB ALA 9 -8.828 -1.703 -1.859 71 H ALA 10 H ALA 10 -6.717 -2.666 -1.281 72 HA ALA 10 HA ALA 10 -5.506 -1.501 0.968 73 HB1 ALA 10 1HB ALA 10 -4.949 -4.292 -0.039 74 HB2 ALA 10 2HB ALA 10 -6.458 -3.850 0.758 75 HB3 ALA 10 3HB ALA 10 -4.930 -3.717 1.628 76 H LYS 11 H LYS 11 -4.205 -2.475 -2.125 77 HA LYS 11 HA LYS 11 -1.473 -2.600 -1.455 78 HB2 LYS 11 2HB LYS 11 -2.649 -3.290 -3.643 79 HB3 LYS 11 1HB LYS 11 -2.489 -1.597 -4.107 80 HG2 LYS 11 2HG LYS 11 -0.054 -1.716 -3.761 81 HG3 LYS 11 1HG LYS 11 -0.204 -3.410 -3.270 82 HD2 LYS 11 2HD LYS 11 -1.334 -3.792 -5.552 83 HD3 LYS 11 1HD LYS 11 -0.708 -2.202 -5.995 84 HE2 LYS 11 2HE LYS 11 0.979 -3.682 -6.722 85 HE3 LYS 11 1HE LYS 11 1.580 -3.102 -5.168 86 HZ1 LYS 11 1HZ LYS 11 1.759 -5.513 -5.375 87 HZ2 LYS 11 2HZ LYS 11 0.078 -5.629 -5.592 88 HZ3 LYS 11 3HZ LYS 11 0.711 -5.079 -4.115 89 H ASP 12 H ASP 12 -3.561 0.116 -2.323 90 HA ASP 12 HA ASP 12 -1.593 2.077 -2.699 91 HB2 ASP 12 2HB ASP 12 -3.903 2.502 -3.292 92 HB3 ASP 12 1HB ASP 12 -4.403 2.331 -1.605 93 H ILE 13 H ILE 13 -3.321 1.117 0.265 94 HA ILE 13 HA ILE 13 -1.873 2.952 1.931 95 HB ILE 13 HB ILE 13 -3.575 0.542 2.604 96 HG12 ILE 13 2HG1 ILE 13 -4.947 2.697 3.482 97 HG13 ILE 13 1HG1 ILE 13 -4.072 3.459 2.150 98 HG21 ILE 13 1HG2 ILE 13 -2.136 0.852 4.469 99 HG22 ILE 13 2HG2 ILE 13 -3.615 1.717 4.891 100 HG23 ILE 13 3HG2 ILE 13 -2.201 2.610 4.327 101 HD11 ILE 13 1HD1 ILE 13 -6.266 2.561 1.418 102 HD12 ILE 13 2HD1 ILE 13 -5.759 0.946 1.916 103 HD13 ILE 13 3HD1 ILE 13 -4.927 1.764 0.594 104 H ALA 14 H ALA 14 -1.704 -0.548 1.327 105 HA ALA 14 HA ALA 14 0.280 -1.241 3.139 106 HB1 ALA 14 1HB ALA 14 -1.037 -2.791 1.631 107 HB2 ALA 14 2HB ALA 14 0.679 -3.169 1.781 108 HB3 ALA 14 3HB ALA 14 0.078 -2.354 0.337 109 H GLY 15 H GLY 15 0.745 -0.314 -0.284 110 HA2 GLY 15 2HA GLY 15 3.558 -0.275 -0.219 111 HA3 GLY 15 1HA GLY 15 2.551 0.597 -1.380 112 H HIS 16 H HIS 16 1.183 2.337 0.255 113 HA HIS 16 HA HIS 16 2.953 4.466 0.568 114 HB2 HIS 16 2HB HIS 16 0.516 4.720 0.356 115 HB3 HIS 16 1HB HIS 16 0.333 4.048 1.969 116 HD2 HIS 16 2HD HIS 16 -0.090 6.189 3.658 117 HE1 HIS 16 1HE HIS 16 2.719 8.848 1.964 118 HE2 HIS 16 2HE HIS 16 1.024 8.544 3.831 119 H LEU 17 H LEU 17 2.116 1.886 2.743 120 HA LEU 17 HA LEU 17 3.030 3.107 5.148 121 HB2 LEU 17 2HB LEU 17 1.518 1.083 4.976 122 HB3 LEU 17 1HB LEU 17 2.950 0.147 4.541 123 HG LEU 17 HG LEU 17 4.033 0.935 6.670 124 HD11 LEU 17 1HD1 LEU 17 2.101 1.648 8.378 125 HD12 LEU 17 2HD1 LEU 17 1.375 2.296 6.907 126 HD13 LEU 17 3HD1 LEU 17 2.970 2.846 7.421 127 HD21 LEU 17 1HD2 LEU 17 1.424 -0.603 6.834 128 HD22 LEU 17 2HD2 LEU 17 2.603 -0.531 8.144 129 HD23 LEU 17 3HD2 LEU 17 3.040 -1.271 6.604 130 H ALA 18 H ALA 18 4.580 1.225 2.612 131 HA ALA 18 HA ALA 18 6.996 0.620 3.906 132 HB1 ALA 18 1HB ALA 18 6.432 1.170 0.985 133 HB2 ALA 18 2HB ALA 18 6.439 -0.402 1.783 134 HB3 ALA 18 3HB ALA 18 7.943 0.499 1.597 135 H SER 19 H SER 19 5.845 3.563 2.395 136 HA SER 19 HA SER 19 8.249 4.949 2.071 137 HB2 SER 19 2HB SER 19 6.075 5.766 1.236 138 HB3 SER 19 1HB SER 19 5.554 6.063 2.892 139 HG SER 19 HG SER 19 6.379 7.961 2.042 140 H LYS 20 H LYS 20 6.233 4.482 4.928 141 HA LYS 20 HA LYS 20 7.542 6.313 6.624 142 HB2 LYS 20 2HB LYS 20 5.457 4.394 6.833 143 HB3 LYS 20 1HB LYS 20 6.614 4.054 8.124 144 HG2 LYS 20 2HG LYS 20 5.099 5.643 9.044 145 HG3 LYS 20 1HG LYS 20 6.546 6.564 8.641 146 HD2 LYS 20 2HD LYS 20 4.904 7.921 7.705 147 HD3 LYS 20 1HD LYS 20 5.313 6.905 6.322 148 HE2 LYS 20 2HE LYS 20 3.411 5.463 6.742 149 HE3 LYS 20 1HE LYS 20 3.058 6.295 8.256 150 HZ1 LYS 20 1HZ LYS 20 1.635 7.045 6.435 151 HZ2 LYS 20 2HZ LYS 20 3.005 7.548 5.564 152 HZ3 LYS 20 3HZ LYS 20 2.603 8.305 7.031 153 H VAL 21 H VAL 21 7.957 2.791 6.276 154 HA VAL 21 HA VAL 21 10.114 2.546 8.071 155 HB VAL 21 HB VAL 21 9.534 0.842 5.637 156 HG11 VAL 21 1HG1 VAL 21 11.707 0.351 6.573 157 HG12 VAL 21 2HG1 VAL 21 10.601 -0.917 7.099 158 HG13 VAL 21 3HG1 VAL 21 11.059 0.371 8.213 159 HG21 VAL 21 1HG2 VAL 21 8.558 0.503 8.489 160 HG22 VAL 21 2HG2 VAL 21 8.127 -0.488 7.095 161 HG23 VAL 21 3HG2 VAL 21 7.576 1.186 7.193 162 H MET 22 H MET 22 9.968 3.373 4.655 163 HA MET 22 HA MET 22 12.719 3.096 4.072 164 HB2 MET 22 2HB MET 22 10.547 3.563 2.563 165 HB3 MET 22 1HB MET 22 11.153 5.213 2.681 166 HG2 MET 22 2HG MET 22 12.665 2.788 1.667 167 HG3 MET 22 1HG MET 22 12.153 4.194 0.725 168 HE1 MET 22 1HE MET 22 14.970 4.456 -0.061 169 HE2 MET 22 2HE MET 22 14.798 2.902 0.751 170 HE3 MET 22 3HE MET 22 16.115 3.981 1.202 171 H ASN 23 H ASN 23 10.785 5.923 5.044 172 HA ASN 23 HA ASN 23 12.838 7.820 4.983 173 HB2 ASN 23 2HB ASN 23 11.290 9.236 5.881 174 HB3 ASN 23 1HB ASN 23 10.190 7.933 5.431 175 HD21 ASN 23 1HD2 ASN 23 12.257 8.929 8.228 176 HD22 ASN 23 2HD2 ASN 23 11.167 8.379 9.406 177 H LYS 24 H LYS 24 11.804 5.627 7.571 178 HA LYS 24 HA LYS 24 13.585 6.679 9.533 179 HB2 LYS 24 2HB LYS 24 11.459 5.212 9.838 180 HB3 LYS 24 1HB LYS 24 12.570 3.875 9.578 181 HG2 LYS 24 2HG LYS 24 12.693 4.102 11.893 182 HG3 LYS 24 1HG LYS 24 14.044 5.106 11.376 183 HD2 LYS 24 2HD LYS 24 13.035 6.666 12.721 184 HD3 LYS 24 1HD LYS 24 12.049 6.949 11.287 185 HE2 LYS 24 2HE LYS 24 10.355 5.378 12.116 186 HE3 LYS 24 1HE LYS 24 11.352 5.031 13.529 187 HZ1 LYS 24 1HZ LYS 24 9.456 6.928 13.432 188 HZ2 LYS 24 2HZ LYS 24 10.847 7.836 13.075 189 HZ3 LYS 24 3HZ LYS 24 10.764 6.934 14.513 190 H LEU 25 H LEU 25 13.641 3.522 7.876 191 HA LEU 25 HA LEU 25 16.437 3.741 7.259 192 HB2 LEU 25 2HB LEU 25 17.264 1.983 8.705 193 HB3 LEU 25 1HB LEU 25 16.513 3.240 9.696 194 HG LEU 25 HG LEU 25 14.368 1.584 9.191 195 HD11 LEU 25 1HD1 LEU 25 15.129 -0.717 9.592 196 HD12 LEU 25 2HD1 LEU 25 16.807 -0.175 9.600 197 HD13 LEU 25 3HD1 LEU 25 15.859 -0.086 8.116 198 HD21 LEU 25 1HD2 LEU 25 16.368 1.458 11.470 199 HD22 LEU 25 2HD2 LEU 25 14.747 0.764 11.521 200 HD23 LEU 25 3HD2 LEU 25 14.955 2.510 11.375 201 HN1 NH2 26 HN1 NH2 26 13.584 1.606 7.573 202 HN2 NH2 26 HN2 NH2 26 13.954 0.662 6.192 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -12.392 -8.991 -13.971 2 H2 GLY 1 2HT GLY 1 -12.702 -7.353 -14.296 3 H3 GLY 1 3HT GLY 1 -13.368 -8.090 -12.917 4 HA2 GLY 1 2HA GLY 1 -10.795 -8.561 -12.467 5 HA3 GLY 1 1HA GLY 1 -10.698 -7.037 -13.361 6 H VAL 2 H VAL 2 -13.686 -7.340 -11.865 7 HA VAL 2 HA VAL 2 -13.439 -5.119 -10.219 8 HB VAL 2 HB VAL 2 -15.264 -7.472 -9.687 9 HG11 VAL 2 1HG1 VAL 2 -15.192 -5.702 -7.954 10 HG12 VAL 2 2HG1 VAL 2 -16.746 -5.725 -8.788 11 HG13 VAL 2 3HG1 VAL 2 -15.549 -4.492 -9.186 12 HG21 VAL 2 1HG2 VAL 2 -15.444 -6.878 -12.041 13 HG22 VAL 2 2HG2 VAL 2 -15.526 -5.163 -11.639 14 HG23 VAL 2 3HG2 VAL 2 -16.852 -6.238 -11.192 15 H VAL 3 H VAL 3 -12.737 -8.503 -9.542 16 HA VAL 3 HA VAL 3 -12.397 -8.196 -6.726 17 HB VAL 3 HB VAL 3 -11.087 -10.292 -8.461 18 HG11 VAL 3 1HG1 VAL 3 -12.103 -10.258 -5.602 19 HG12 VAL 3 2HG1 VAL 3 -10.412 -10.250 -6.102 20 HG13 VAL 3 3HG1 VAL 3 -11.418 -11.665 -6.415 21 HG21 VAL 3 1HG2 VAL 3 -13.922 -10.189 -7.378 22 HG22 VAL 3 2HG2 VAL 3 -13.176 -11.604 -8.121 23 HG23 VAL 3 3HG2 VAL 3 -13.458 -10.150 -9.080 24 H ASP 4 H ASP 4 -10.186 -8.124 -9.495 25 HA ASP 4 HA ASP 4 -7.769 -7.972 -8.078 26 HB2 ASP 4 2HB ASP 4 -6.822 -7.665 -10.129 27 HB3 ASP 4 1HB ASP 4 -8.433 -8.083 -10.702 28 H ILE 5 H ILE 5 -9.967 -5.424 -9.185 29 HA ILE 5 HA ILE 5 -8.499 -3.171 -8.515 30 HB ILE 5 HB ILE 5 -11.474 -3.566 -8.222 31 HG12 ILE 5 2HG1 ILE 5 -9.943 -3.924 -10.495 32 HG13 ILE 5 1HG1 ILE 5 -11.657 -3.500 -10.474 33 HG21 ILE 5 1HG2 ILE 5 -9.742 -1.104 -8.468 34 HG22 ILE 5 2HG2 ILE 5 -10.804 -1.538 -7.129 35 HG23 ILE 5 3HG2 ILE 5 -11.494 -1.091 -8.689 36 HD11 ILE 5 1HD1 ILE 5 -11.153 -1.157 -10.645 37 HD12 ILE 5 2HD1 ILE 5 -10.217 -1.992 -11.885 38 HD13 ILE 5 3HD1 ILE 5 -9.431 -1.456 -10.402 39 H LEU 6 H LEU 6 -10.602 -5.152 -6.451 40 HA LEU 6 HA LEU 6 -10.333 -3.517 -4.143 41 HB2 LEU 6 2HB LEU 6 -11.827 -4.959 -3.242 42 HB3 LEU 6 1HB LEU 6 -11.913 -5.654 -4.860 43 HG LEU 6 HG LEU 6 -9.946 -7.154 -4.148 44 HD11 LEU 6 1HD1 LEU 6 -9.060 -6.855 -2.097 45 HD12 LEU 6 2HD1 LEU 6 -10.624 -7.206 -1.364 46 HD13 LEU 6 3HD1 LEU 6 -10.198 -5.548 -1.782 47 HD21 LEU 6 1HD2 LEU 6 -11.501 -8.700 -2.918 48 HD22 LEU 6 2HD2 LEU 6 -12.189 -8.038 -4.401 49 HD23 LEU 6 3HD2 LEU 6 -12.670 -7.381 -2.836 50 H LYS 7 H LYS 7 -8.431 -6.125 -5.501 51 HA LYS 7 HA LYS 7 -6.869 -6.697 -3.218 52 HB2 LYS 7 2HB LYS 7 -7.214 -7.860 -5.613 53 HB3 LYS 7 1HB LYS 7 -5.715 -7.002 -5.915 54 HG2 LYS 7 2HG LYS 7 -5.138 -9.190 -5.076 55 HG3 LYS 7 1HG LYS 7 -4.785 -8.022 -3.803 56 HD2 LYS 7 2HD LYS 7 -6.270 -9.001 -2.404 57 HD3 LYS 7 1HD LYS 7 -7.545 -8.903 -3.618 58 HE2 LYS 7 2HE LYS 7 -6.950 -11.256 -2.863 59 HE3 LYS 7 1HE LYS 7 -6.884 -10.989 -4.605 60 HZ1 LYS 7 1HZ LYS 7 -4.506 -10.701 -2.865 61 HZ2 LYS 7 2HZ LYS 7 -4.558 -10.843 -4.558 62 HZ3 LYS 7 3HZ LYS 7 -4.932 -12.180 -3.577 63 H GLY 8 H GLY 8 -6.167 -4.749 -6.123 64 HA2 GLY 8 2HA GLY 8 -3.680 -3.762 -5.210 65 HA3 GLY 8 1HA GLY 8 -4.661 -3.049 -6.494 66 H ALA 9 H ALA 9 -6.954 -2.861 -4.521 67 HA ALA 9 HA ALA 9 -6.740 -0.186 -3.823 68 HB1 ALA 9 1HB ALA 9 -8.831 -1.626 -3.823 69 HB2 ALA 9 2HB ALA 9 -8.681 -0.504 -2.470 70 HB3 ALA 9 3HB ALA 9 -8.321 -2.216 -2.241 71 H ALA 10 H ALA 10 -5.960 -3.063 -1.903 72 HA ALA 10 HA ALA 10 -5.335 -1.755 0.507 73 HB1 ALA 10 1HB ALA 10 -3.929 -3.816 0.944 74 HB2 ALA 10 2HB ALA 10 -4.350 -4.353 -0.682 75 HB3 ALA 10 3HB ALA 10 -5.614 -4.132 0.528 76 H LYS 11 H LYS 11 -3.526 -2.206 -2.448 77 HA LYS 11 HA LYS 11 -0.929 -1.694 -1.515 78 HB2 LYS 11 2HB LYS 11 -1.721 -2.447 -3.860 79 HB3 LYS 11 1HB LYS 11 -1.934 -0.728 -4.186 80 HG2 LYS 11 2HG LYS 11 0.263 -0.987 -4.879 81 HG3 LYS 11 1HG LYS 11 0.530 -0.581 -3.178 82 HD2 LYS 11 2HD LYS 11 0.600 -3.013 -2.640 83 HD3 LYS 11 1HD LYS 11 0.422 -3.376 -4.357 84 HE2 LYS 11 2HE LYS 11 2.760 -3.471 -3.971 85 HE3 LYS 11 1HE LYS 11 2.498 -1.890 -4.707 86 HZ1 LYS 11 1HZ LYS 11 3.933 -1.841 -2.711 87 HZ2 LYS 11 2HZ LYS 11 2.613 -2.368 -1.779 88 HZ3 LYS 11 3HZ LYS 11 2.553 -0.864 -2.569 89 H ASP 12 H ASP 12 -3.553 0.485 -2.425 90 HA ASP 12 HA ASP 12 -2.114 2.898 -2.436 91 HB2 ASP 12 2HB ASP 12 -4.452 2.617 -3.258 92 HB3 ASP 12 1HB ASP 12 -4.988 2.492 -1.576 93 H ILE 13 H ILE 13 -3.801 1.211 0.200 94 HA ILE 13 HA ILE 13 -3.077 3.195 2.164 95 HB ILE 13 HB ILE 13 -4.207 0.402 2.456 96 HG12 ILE 13 2HG1 ILE 13 -6.163 2.111 3.242 97 HG13 ILE 13 1HG1 ILE 13 -5.354 3.131 2.047 98 HG21 ILE 13 1HG2 ILE 13 -3.646 2.603 4.454 99 HG22 ILE 13 2HG2 ILE 13 -3.117 0.921 4.512 100 HG23 ILE 13 3HG2 ILE 13 -4.816 1.320 4.769 101 HD11 ILE 13 1HD1 ILE 13 -7.149 1.795 1.003 102 HD12 ILE 13 2HD1 ILE 13 -6.372 0.313 1.559 103 HD13 ILE 13 3HD1 ILE 13 -5.570 1.336 0.368 104 H ALA 14 H ALA 14 -2.159 -0.220 1.656 105 HA ALA 14 HA ALA 14 -0.130 -0.308 3.593 106 HB1 ALA 14 1HB ALA 14 0.613 -2.322 2.504 107 HB2 ALA 14 2HB ALA 14 -0.182 -1.861 0.997 108 HB3 ALA 14 3HB ALA 14 -1.148 -2.283 2.412 109 H GLY 15 H GLY 15 -0.022 0.548 0.153 110 HA2 GLY 15 2HA GLY 15 2.720 0.755 -0.228 111 HA3 GLY 15 1HA GLY 15 1.522 1.757 -1.056 112 H HIS 16 H HIS 16 0.466 3.168 1.096 113 HA HIS 16 HA HIS 16 2.343 5.253 1.399 114 HB2 HIS 16 2HB HIS 16 -0.241 5.310 1.558 115 HB3 HIS 16 1HB HIS 16 0.025 4.879 3.242 116 HD2 HIS 16 2HD HIS 16 -0.383 7.366 4.450 117 HE1 HIS 16 1HE HIS 16 2.374 9.547 2.113 118 HE2 HIS 16 2HE HIS 16 0.815 9.662 4.114 119 H LEU 17 H LEU 17 1.500 2.506 3.406 120 HA LEU 17 HA LEU 17 2.849 3.387 5.758 121 HB2 LEU 17 2HB LEU 17 1.075 1.575 5.622 122 HB3 LEU 17 1HB LEU 17 2.322 0.523 4.947 123 HG LEU 17 HG LEU 17 3.720 1.225 7.038 124 HD11 LEU 17 1HD1 LEU 17 0.907 2.017 7.827 125 HD12 LEU 17 2HD1 LEU 17 2.378 2.982 7.943 126 HD13 LEU 17 3HD1 LEU 17 2.140 1.605 9.017 127 HD21 LEU 17 1HD2 LEU 17 2.675 -0.600 8.354 128 HD22 LEU 17 2HD2 LEU 17 2.852 -1.043 6.656 129 HD23 LEU 17 3HD2 LEU 17 1.275 -0.557 7.282 130 H ALA 18 H ALA 18 3.827 1.694 2.856 131 HA ALA 18 HA ALA 18 6.269 0.617 3.746 132 HB1 ALA 18 1HB ALA 18 5.753 1.695 0.972 133 HB2 ALA 18 2HB ALA 18 5.093 0.162 1.541 134 HB3 ALA 18 3HB ALA 18 6.839 0.387 1.441 135 H SER 19 H SER 19 5.492 3.782 2.330 136 HA SER 19 HA SER 19 8.086 4.808 2.147 137 HB2 SER 19 2HB SER 19 6.413 6.091 1.110 138 HB3 SER 19 1HB SER 19 5.391 6.087 2.545 139 HG SER 19 HG SER 19 6.423 8.072 2.378 140 H LYS 20 H LYS 20 5.888 4.589 4.888 141 HA LYS 20 HA LYS 20 7.239 6.282 6.670 142 HB2 LYS 20 2HB LYS 20 5.078 4.416 6.772 143 HB3 LYS 20 1HB LYS 20 6.158 4.086 8.131 144 HG2 LYS 20 2HG LYS 20 4.591 5.728 8.901 145 HG3 LYS 20 1HG LYS 20 6.105 6.586 8.621 146 HD2 LYS 20 2HD LYS 20 4.646 8.003 7.510 147 HD3 LYS 20 1HD LYS 20 5.062 6.917 6.187 148 HE2 LYS 20 2HE LYS 20 2.697 7.026 6.129 149 HE3 LYS 20 1HE LYS 20 3.040 5.505 6.954 150 HZ1 LYS 20 1HZ LYS 20 3.009 7.163 9.017 151 HZ2 LYS 20 2HZ LYS 20 1.618 6.367 8.453 152 HZ3 LYS 20 3HZ LYS 20 1.921 7.977 8.001 153 H VAL 21 H VAL 21 7.557 2.775 6.155 154 HA VAL 21 HA VAL 21 9.709 2.496 8.031 155 HB VAL 21 HB VAL 21 8.802 0.650 5.809 156 HG11 VAL 21 1HG1 VAL 21 11.008 0.009 6.461 157 HG12 VAL 21 2HG1 VAL 21 9.923 -1.058 7.350 158 HG13 VAL 21 3HG1 VAL 21 10.670 0.315 8.165 159 HG21 VAL 21 1HG2 VAL 21 8.085 0.857 8.749 160 HG22 VAL 21 2HG2 VAL 21 7.703 -0.544 7.748 161 HG23 VAL 21 3HG2 VAL 21 6.995 1.027 7.373 162 H MET 22 H MET 22 9.454 3.021 4.564 163 HA MET 22 HA MET 22 12.098 2.440 3.824 164 HB2 MET 22 2HB MET 22 9.911 3.146 2.446 165 HB3 MET 22 1HB MET 22 10.708 4.716 2.489 166 HG2 MET 22 2HG MET 22 12.789 3.633 1.613 167 HG3 MET 22 1HG MET 22 11.887 2.118 1.454 168 HE1 MET 22 1HE MET 22 13.015 5.224 -0.563 169 HE2 MET 22 2HE MET 22 12.043 5.767 0.803 170 HE3 MET 22 3HE MET 22 11.462 6.026 -0.841 171 H ASN 23 H ASN 23 10.618 5.511 4.841 172 HA ASN 23 HA ASN 23 12.834 7.165 4.574 173 HB2 ASN 23 2HB ASN 23 11.547 8.725 5.614 174 HB3 ASN 23 1HB ASN 23 10.278 7.518 5.401 175 HD21 ASN 23 1HD2 ASN 23 12.851 8.398 7.784 176 HD22 ASN 23 2HD2 ASN 23 11.926 7.980 9.144 177 H LYS 24 H LYS 24 12.043 4.840 7.074 178 HA LYS 24 HA LYS 24 14.089 5.722 8.894 179 HB2 LYS 24 2HB LYS 24 11.895 4.384 9.378 180 HB3 LYS 24 1HB LYS 24 12.893 2.996 8.975 181 HG2 LYS 24 2HG LYS 24 13.121 3.251 11.330 182 HG3 LYS 24 1HG LYS 24 14.603 3.906 10.643 183 HD2 LYS 24 2HD LYS 24 12.705 6.037 10.729 184 HD3 LYS 24 1HD LYS 24 12.687 5.238 12.299 185 HE2 LYS 24 2HE LYS 24 15.216 6.124 10.889 186 HE3 LYS 24 1HE LYS 24 14.394 7.065 12.127 187 HZ1 LYS 24 1HZ LYS 24 16.054 4.738 12.401 188 HZ2 LYS 24 2HZ LYS 24 14.592 4.622 13.259 189 HZ3 LYS 24 3HZ LYS 24 15.649 5.920 13.547 190 H LEU 25 H LEU 25 13.688 2.787 6.908 191 HA LEU 25 HA LEU 25 16.446 2.793 6.117 192 HB2 LEU 25 2HB LEU 25 17.188 0.814 7.268 193 HB3 LEU 25 1HB LEU 25 16.578 1.949 8.479 194 HG LEU 25 HG LEU 25 14.292 0.549 7.836 195 HD11 LEU 25 1HD1 LEU 25 14.759 -1.757 7.595 196 HD12 LEU 25 2HD1 LEU 25 16.454 -1.549 8.039 197 HD13 LEU 25 3HD1 LEU 25 15.876 -0.980 6.474 198 HD21 LEU 25 1HD2 LEU 25 15.110 1.098 10.103 199 HD22 LEU 25 2HD2 LEU 25 16.347 -0.152 9.959 200 HD23 LEU 25 3HD2 LEU 25 14.642 -0.600 9.996 201 HN1 NH2 26 HN1 NH2 26 13.278 1.258 6.192 202 HN2 NH2 26 HN2 NH2 26 13.496 0.338 4.763 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -9.953 -9.374 -12.961 2 H2 GLY 1 2HT GLY 1 -11.463 -9.417 -13.741 3 H3 GLY 1 3HT GLY 1 -11.345 -8.866 -12.138 4 HA2 GLY 1 2HA GLY 1 -9.604 -7.355 -13.760 5 HA3 GLY 1 1HA GLY 1 -11.229 -7.353 -14.461 6 H VAL 2 H VAL 2 -12.888 -6.309 -13.406 7 HA VAL 2 HA VAL 2 -12.324 -4.148 -11.749 8 HB VAL 2 HB VAL 2 -14.959 -5.629 -11.817 9 HG11 VAL 2 1HG1 VAL 2 -15.889 -3.410 -11.393 10 HG12 VAL 2 2HG1 VAL 2 -14.280 -2.692 -11.478 11 HG13 VAL 2 3HG1 VAL 2 -14.688 -3.784 -10.156 12 HG21 VAL 2 1HG2 VAL 2 -15.451 -4.040 -13.734 13 HG22 VAL 2 2HG2 VAL 2 -14.288 -5.311 -14.111 14 HG23 VAL 2 3HG2 VAL 2 -13.726 -3.673 -13.779 15 H VAL 3 H VAL 3 -13.099 -7.477 -10.935 16 HA VAL 3 HA VAL 3 -13.518 -7.020 -8.143 17 HB VAL 3 HB VAL 3 -12.674 -9.598 -9.479 18 HG11 VAL 3 1HG1 VAL 3 -14.282 -9.014 -6.973 19 HG12 VAL 3 2HG1 VAL 3 -12.600 -9.540 -7.001 20 HG13 VAL 3 3HG1 VAL 3 -13.870 -10.614 -7.587 21 HG21 VAL 3 1HG2 VAL 3 -15.432 -8.381 -9.124 22 HG22 VAL 3 2HG2 VAL 3 -15.128 -10.038 -9.644 23 HG23 VAL 3 3HG2 VAL 3 -14.615 -8.687 -10.657 24 H ASP 4 H ASP 4 -10.794 -8.421 -9.977 25 HA ASP 4 HA ASP 4 -9.043 -8.717 -7.812 26 HB2 ASP 4 2HB ASP 4 -8.854 -9.570 -10.249 27 HB3 ASP 4 1HB ASP 4 -8.080 -8.022 -10.550 28 H ILE 5 H ILE 5 -9.320 -6.046 -10.150 29 HA ILE 5 HA ILE 5 -7.301 -4.406 -9.202 30 HB ILE 5 HB ILE 5 -9.987 -3.557 -10.278 31 HG12 ILE 5 2HG1 ILE 5 -8.123 -5.198 -11.494 32 HG13 ILE 5 1HG1 ILE 5 -9.307 -4.196 -12.338 33 HG21 ILE 5 1HG2 ILE 5 -8.651 -1.565 -11.050 34 HG22 ILE 5 2HG2 ILE 5 -7.329 -2.143 -10.033 35 HG23 ILE 5 3HG2 ILE 5 -8.864 -1.676 -9.303 36 HD11 ILE 5 1HD1 ILE 5 -6.564 -3.219 -11.528 37 HD12 ILE 5 2HD1 ILE 5 -7.722 -2.407 -12.584 38 HD13 ILE 5 3HD1 ILE 5 -6.934 -3.893 -13.114 39 H LEU 6 H LEU 6 -10.475 -5.010 -7.847 40 HA LEU 6 HA LEU 6 -10.669 -2.762 -6.171 41 HB2 LEU 6 2HB LEU 6 -12.587 -3.738 -5.452 42 HB3 LEU 6 1HB LEU 6 -12.282 -4.889 -6.754 43 HG LEU 6 HG LEU 6 -10.919 -6.229 -5.022 44 HD11 LEU 6 1HD1 LEU 6 -10.696 -5.358 -2.955 45 HD12 LEU 6 2HD1 LEU 6 -12.444 -5.417 -2.748 46 HD13 LEU 6 3HD1 LEU 6 -11.683 -3.970 -3.405 47 HD21 LEU 6 1HD2 LEU 6 -13.101 -6.963 -5.839 48 HD22 LEU 6 2HD2 LEU 6 -13.916 -5.877 -4.714 49 HD23 LEU 6 3HD2 LEU 6 -13.001 -7.255 -4.102 50 H LYS 7 H LYS 7 -8.853 -5.736 -5.871 51 HA LYS 7 HA LYS 7 -8.315 -5.559 -3.083 52 HB2 LYS 7 2HB LYS 7 -6.946 -7.396 -3.416 53 HB3 LYS 7 1HB LYS 7 -7.998 -7.503 -4.824 54 HG2 LYS 7 2HG LYS 7 -6.182 -6.038 -5.996 55 HG3 LYS 7 1HG LYS 7 -5.138 -6.592 -4.686 56 HD2 LYS 7 2HD LYS 7 -5.677 -8.934 -5.266 57 HD3 LYS 7 1HD LYS 7 -6.706 -8.362 -6.581 58 HE2 LYS 7 2HE LYS 7 -4.799 -7.342 -7.694 59 HE3 LYS 7 1HE LYS 7 -3.746 -7.750 -6.338 60 HZ1 LYS 7 1HZ LYS 7 -3.787 -9.974 -6.856 61 HZ2 LYS 7 2HZ LYS 7 -3.817 -9.277 -8.404 62 HZ3 LYS 7 3HZ LYS 7 -5.249 -9.873 -7.711 63 H GLY 8 H GLY 8 -6.677 -4.393 -5.965 64 HA2 GLY 8 2HA GLY 8 -4.255 -3.525 -5.048 65 HA3 GLY 8 1HA GLY 8 -5.210 -2.613 -6.224 66 H ALA 9 H ALA 9 -7.348 -2.440 -4.014 67 HA ALA 9 HA ALA 9 -6.695 0.164 -3.116 68 HB1 ALA 9 1HB ALA 9 -9.017 -0.791 -3.367 69 HB2 ALA 9 2HB ALA 9 -8.730 0.061 -1.849 70 HB3 ALA 9 3HB ALA 9 -8.730 -1.702 -1.885 71 H ALA 10 H ALA 10 -6.770 -2.968 -1.414 72 HA ALA 10 HA ALA 10 -5.997 -2.090 1.112 73 HB1 ALA 10 1HB ALA 10 -5.261 -4.372 1.520 74 HB2 ALA 10 2HB ALA 10 -5.200 -4.692 -0.213 75 HB3 ALA 10 3HB ALA 10 -6.750 -4.399 0.575 76 H LYS 11 H LYS 11 -4.053 -2.767 -1.747 77 HA LYS 11 HA LYS 11 -1.508 -2.726 -0.547 78 HB2 LYS 11 2HB LYS 11 -1.935 -3.478 -2.869 79 HB3 LYS 11 1HB LYS 11 -2.270 -1.809 -3.331 80 HG2 LYS 11 2HG LYS 11 -0.040 -1.130 -2.986 81 HG3 LYS 11 1HG LYS 11 0.327 -2.539 -1.979 82 HD2 LYS 11 2HD LYS 11 0.103 -4.007 -3.951 83 HD3 LYS 11 1HD LYS 11 -0.257 -2.602 -4.957 84 HE2 LYS 11 2HE LYS 11 1.930 -1.698 -4.648 85 HE3 LYS 11 1HE LYS 11 2.284 -2.817 -3.331 86 HZ1 LYS 11 1HZ LYS 11 1.538 -4.095 -5.806 87 HZ2 LYS 11 2HZ LYS 11 2.822 -4.439 -4.748 88 HZ3 LYS 11 3HZ LYS 11 2.976 -3.201 -5.903 89 H ASP 12 H ASP 12 -3.612 -0.138 -1.690 90 HA ASP 12 HA ASP 12 -1.806 1.998 -1.610 91 HB2 ASP 12 2HB ASP 12 -4.110 2.115 -2.538 92 HB3 ASP 12 1HB ASP 12 -4.745 2.071 -0.888 93 H ILE 13 H ILE 13 -3.811 0.589 0.961 94 HA ILE 13 HA ILE 13 -2.962 2.474 2.954 95 HB ILE 13 HB ILE 13 -4.343 -0.209 3.154 96 HG12 ILE 13 2HG1 ILE 13 -6.134 1.603 4.019 97 HG13 ILE 13 1HG1 ILE 13 -5.200 2.658 2.953 98 HG21 ILE 13 1HG2 ILE 13 -4.866 0.675 5.515 99 HG22 ILE 13 2HG2 ILE 13 -3.529 1.798 5.262 100 HG23 ILE 13 3HG2 ILE 13 -3.238 0.059 5.238 101 HD11 ILE 13 1HD1 ILE 13 -5.542 1.101 1.086 102 HD12 ILE 13 2HD1 ILE 13 -7.095 1.591 1.761 103 HD13 ILE 13 3HD1 ILE 13 -6.430 0.004 2.143 104 H ALA 14 H ALA 14 -2.243 -0.976 2.381 105 HA ALA 14 HA ALA 14 -0.347 -1.320 4.394 106 HB1 ALA 14 1HB ALA 14 -0.634 -2.614 1.681 107 HB2 ALA 14 2HB ALA 14 -1.135 -3.253 3.246 108 HB3 ALA 14 3HB ALA 14 0.579 -3.124 2.854 109 H GLY 15 H GLY 15 0.091 -0.229 1.042 110 HA2 GLY 15 2HA GLY 15 2.889 -0.031 1.046 111 HA3 GLY 15 1HA GLY 15 1.805 0.911 0.017 112 H HIS 16 H HIS 16 0.401 2.356 1.923 113 HA HIS 16 HA HIS 16 2.005 4.570 2.361 114 HB2 HIS 16 2HB HIS 16 -0.064 5.338 2.778 115 HB3 HIS 16 1HB HIS 16 -0.654 3.712 3.094 116 HD2 HIS 16 2HD HIS 16 -0.918 3.063 5.819 117 HE1 HIS 16 1HE HIS 16 0.615 6.689 7.345 118 HE2 HIS 16 2HE HIS 16 -0.533 4.508 7.960 119 H LEU 17 H LEU 17 1.469 1.761 4.408 120 HA LEU 17 HA LEU 17 2.705 2.769 6.752 121 HB2 LEU 17 2HB LEU 17 1.233 0.687 6.520 122 HB3 LEU 17 1HB LEU 17 2.676 -0.130 5.912 123 HG LEU 17 HG LEU 17 3.779 0.915 8.097 124 HD11 LEU 17 1HD1 LEU 17 1.534 2.077 8.601 125 HD12 LEU 17 2HD1 LEU 17 2.292 1.197 9.928 126 HD13 LEU 17 3HD1 LEU 17 0.944 0.478 9.048 127 HD21 LEU 17 1HD2 LEU 17 1.995 -1.528 7.948 128 HD22 LEU 17 2HD2 LEU 17 3.041 -1.193 9.327 129 HD23 LEU 17 3HD2 LEU 17 3.744 -1.455 7.730 130 H ALA 18 H ALA 18 3.939 0.927 3.984 131 HA ALA 18 HA ALA 18 6.541 0.470 4.906 132 HB1 ALA 18 1HB ALA 18 7.118 0.020 2.643 133 HB2 ALA 18 2HB ALA 18 5.836 1.066 2.031 134 HB3 ALA 18 3HB ALA 18 5.430 -0.464 2.811 135 H SER 19 H SER 19 5.003 3.381 3.919 136 HA SER 19 HA SER 19 7.099 4.915 2.930 137 HB2 SER 19 2HB SER 19 4.642 5.562 3.169 138 HB3 SER 19 1HB SER 19 5.016 5.976 4.839 139 HG SER 19 HG SER 19 5.803 7.186 2.454 140 H LYS 20 H LYS 20 6.269 4.125 6.273 141 HA LYS 20 HA LYS 20 7.985 5.880 7.600 142 HB2 LYS 20 2HB LYS 20 6.307 3.754 8.313 143 HB3 LYS 20 1HB LYS 20 7.909 3.281 8.886 144 HG2 LYS 20 2HG LYS 20 6.995 4.523 10.683 145 HG3 LYS 20 1HG LYS 20 8.064 5.663 9.867 146 HD2 LYS 20 2HD LYS 20 6.163 6.976 10.031 147 HD3 LYS 20 1HD LYS 20 5.845 6.200 8.479 148 HE2 LYS 20 2HE LYS 20 3.838 5.986 9.783 149 HE3 LYS 20 1HE LYS 20 4.598 4.396 9.761 150 HZ1 LYS 20 1HZ LYS 20 4.991 6.382 11.929 151 HZ2 LYS 20 2HZ LYS 20 5.493 4.759 11.917 152 HZ3 LYS 20 3HZ LYS 20 3.839 5.139 11.990 153 H VAL 21 H VAL 21 8.613 2.628 6.325 154 HA VAL 21 HA VAL 21 11.319 2.513 7.212 155 HB VAL 21 HB VAL 21 9.998 1.010 4.939 156 HG11 VAL 21 1HG1 VAL 21 11.778 -0.675 5.499 157 HG12 VAL 21 2HG1 VAL 21 12.499 0.517 6.583 158 HG13 VAL 21 3HG1 VAL 21 12.417 0.836 4.850 159 HG21 VAL 21 1HG2 VAL 21 9.662 -0.754 6.663 160 HG22 VAL 21 2HG2 VAL 21 8.771 0.720 7.046 161 HG23 VAL 21 3HG2 VAL 21 10.276 0.354 7.890 162 H MET 22 H MET 22 9.805 3.335 4.101 163 HA MET 22 HA MET 22 12.067 3.695 2.545 164 HB2 MET 22 2HB MET 22 9.391 4.102 2.180 165 HB3 MET 22 1HB MET 22 9.977 5.763 2.195 166 HG2 MET 22 2HG MET 22 10.133 5.098 -0.077 167 HG3 MET 22 1HG MET 22 11.784 4.955 0.542 168 HE1 MET 22 1HE MET 22 12.442 3.487 -1.422 169 HE2 MET 22 2HE MET 22 10.817 3.569 -2.098 170 HE3 MET 22 3HE MET 22 11.615 2.008 -1.930 171 H ASN 23 H ASN 23 10.550 5.938 4.823 172 HA ASN 23 HA ASN 23 12.167 8.178 4.304 173 HB2 ASN 23 2HB ASN 23 10.010 7.987 5.708 174 HB3 ASN 23 1HB ASN 23 11.101 7.538 7.020 175 HD21 ASN 23 1HD2 ASN 23 10.534 9.591 8.132 176 HD22 ASN 23 2HD2 ASN 23 11.213 11.054 7.604 177 H LYS 24 H LYS 24 12.561 5.486 6.570 178 HA LYS 24 HA LYS 24 14.991 6.514 7.697 179 HB2 LYS 24 2HB LYS 24 13.261 4.810 8.683 180 HB3 LYS 24 1HB LYS 24 14.244 3.635 7.821 181 HG2 LYS 24 2HG LYS 24 15.362 3.672 9.855 182 HG3 LYS 24 1HG LYS 24 16.243 4.920 8.989 183 HD2 LYS 24 2HD LYS 24 15.750 5.985 11.016 184 HD3 LYS 24 1HD LYS 24 14.443 6.541 9.969 185 HE2 LYS 24 2HE LYS 24 13.086 5.784 11.639 186 HE3 LYS 24 1HE LYS 24 13.401 4.200 10.933 187 HZ1 LYS 24 1HZ LYS 24 14.828 3.640 12.576 188 HZ2 LYS 24 2HZ LYS 24 13.876 4.733 13.461 189 HZ3 LYS 24 3HZ LYS 24 15.369 5.228 12.821 190 H LEU 25 H LEU 25 14.300 3.703 5.613 191 HA LEU 25 HA LEU 25 16.749 4.176 4.113 192 HB2 LEU 25 2HB LEU 25 17.664 1.941 4.531 193 HB3 LEU 25 1HB LEU 25 17.533 2.853 6.040 194 HG LEU 25 HG LEU 25 15.063 1.628 5.911 195 HD11 LEU 25 1HD1 LEU 25 15.292 -0.619 5.190 196 HD12 LEU 25 2HD1 LEU 25 17.049 -0.497 5.093 197 HD13 LEU 25 3HD1 LEU 25 16.042 0.331 3.907 198 HD21 LEU 25 1HD2 LEU 25 16.034 0.044 7.602 199 HD22 LEU 25 2HD2 LEU 25 16.448 1.731 7.906 200 HD23 LEU 25 3HD2 LEU 25 17.638 0.648 7.184 201 HN1 NH2 26 HN1 NH2 26 13.742 2.368 4.583 202 HN2 NH2 26 HN2 NH2 26 13.597 1.858 2.954 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -10.031 -8.509 -12.309 2 H2 GLY 1 2HT GLY 1 -9.353 -7.395 -13.397 3 H3 GLY 1 3HT GLY 1 -10.021 -8.849 -13.971 4 HA2 GLY 1 2HA GLY 1 -11.450 -6.856 -14.325 5 HA3 GLY 1 1HA GLY 1 -12.216 -8.177 -13.428 6 H VAL 2 H VAL 2 -13.602 -6.315 -12.700 7 HA VAL 2 HA VAL 2 -12.668 -4.235 -11.067 8 HB VAL 2 HB VAL 2 -15.326 -5.672 -10.879 9 HG11 VAL 2 1HG1 VAL 2 -14.374 -2.924 -10.024 10 HG12 VAL 2 2HG1 VAL 2 -14.964 -4.216 -8.978 11 HG13 VAL 2 3HG1 VAL 2 -16.071 -3.400 -10.083 12 HG21 VAL 2 1HG2 VAL 2 -16.096 -3.906 -12.446 13 HG22 VAL 2 2HG2 VAL 2 -14.855 -4.923 -13.175 14 HG23 VAL 2 3HG2 VAL 2 -14.439 -3.317 -12.578 15 H VAL 3 H VAL 3 -13.386 -7.599 -10.354 16 HA VAL 3 HA VAL 3 -13.443 -7.434 -7.538 17 HB VAL 3 HB VAL 3 -12.457 -9.762 -9.201 18 HG11 VAL 3 1HG1 VAL 3 -13.351 -11.067 -7.278 19 HG12 VAL 3 2HG1 VAL 3 -13.721 -9.555 -6.450 20 HG13 VAL 3 3HG1 VAL 3 -12.046 -9.983 -6.796 21 HG21 VAL 3 1HG2 VAL 3 -14.815 -10.500 -9.190 22 HG22 VAL 3 2HG2 VAL 3 -14.648 -8.948 -10.008 23 HG23 VAL 3 3HG2 VAL 3 -15.278 -9.013 -8.362 24 H ASP 4 H ASP 4 -10.768 -8.315 -9.730 25 HA ASP 4 HA ASP 4 -8.781 -8.583 -7.778 26 HB2 ASP 4 2HB ASP 4 -7.317 -8.790 -9.538 27 HB3 ASP 4 1HB ASP 4 -8.830 -9.018 -10.409 28 H ILE 5 H ILE 5 -9.642 -5.751 -9.754 29 HA ILE 5 HA ILE 5 -7.765 -3.944 -8.814 30 HB ILE 5 HB ILE 5 -10.645 -3.371 -9.502 31 HG12 ILE 5 2HG1 ILE 5 -8.758 -4.609 -11.093 32 HG13 ILE 5 1HG1 ILE 5 -10.143 -3.688 -11.684 33 HG21 ILE 5 1HG2 ILE 5 -9.657 -1.464 -8.437 34 HG22 ILE 5 2HG2 ILE 5 -9.670 -1.145 -10.170 35 HG23 ILE 5 3HG2 ILE 5 -8.175 -1.639 -9.374 36 HD11 ILE 5 1HD1 ILE 5 -7.926 -2.997 -12.657 37 HD12 ILE 5 2HD1 ILE 5 -7.461 -2.446 -11.048 38 HD13 ILE 5 3HD1 ILE 5 -8.823 -1.692 -11.883 39 H LEU 6 H LEU 6 -10.661 -5.139 -7.248 40 HA LEU 6 HA LEU 6 -10.984 -3.159 -5.292 41 HB2 LEU 6 2HB LEU 6 -12.610 -4.526 -4.483 42 HB3 LEU 6 1HB LEU 6 -12.302 -5.453 -5.952 43 HG LEU 6 HG LEU 6 -10.523 -6.720 -4.577 44 HD11 LEU 6 1HD1 LEU 6 -10.170 -6.051 -2.453 45 HD12 LEU 6 2HD1 LEU 6 -11.838 -6.454 -2.058 46 HD13 LEU 6 3HD1 LEU 6 -11.430 -4.828 -2.598 47 HD21 LEU 6 1HD2 LEU 6 -13.414 -7.009 -3.706 48 HD22 LEU 6 2HD2 LEU 6 -12.185 -8.273 -3.738 49 HD23 LEU 6 3HD2 LEU 6 -12.787 -7.591 -5.249 50 H LYS 7 H LYS 7 -8.696 -5.782 -5.568 51 HA LYS 7 HA LYS 7 -7.826 -5.782 -2.851 52 HB2 LYS 7 2HB LYS 7 -6.290 -7.369 -3.539 53 HB3 LYS 7 1HB LYS 7 -7.492 -7.499 -4.819 54 HG2 LYS 7 2HG LYS 7 -6.055 -5.691 -6.032 55 HG3 LYS 7 1HG LYS 7 -4.784 -6.198 -4.918 56 HD2 LYS 7 2HD LYS 7 -5.116 -8.547 -5.667 57 HD3 LYS 7 1HD LYS 7 -6.323 -7.980 -6.825 58 HE2 LYS 7 2HE LYS 7 -4.614 -6.556 -7.904 59 HE3 LYS 7 1HE LYS 7 -3.408 -7.139 -6.756 60 HZ1 LYS 7 1HZ LYS 7 -4.577 -9.398 -7.783 61 HZ2 LYS 7 2HZ LYS 7 -3.041 -8.786 -8.174 62 HZ3 LYS 7 3HZ LYS 7 -4.389 -8.376 -9.124 63 H GLY 8 H GLY 8 -6.790 -4.140 -5.776 64 HA2 GLY 8 2HA GLY 8 -4.401 -3.003 -5.085 65 HA3 GLY 8 1HA GLY 8 -5.620 -2.154 -6.041 66 H ALA 9 H ALA 9 -7.481 -2.411 -3.637 67 HA ALA 9 HA ALA 9 -7.071 0.160 -2.564 68 HB1 ALA 9 1HB ALA 9 -9.247 -1.092 -2.601 69 HB2 ALA 9 2HB ALA 9 -8.862 -0.367 -1.040 70 HB3 ALA 9 3HB ALA 9 -8.630 -2.097 -1.291 71 H ALA 10 H ALA 10 -6.535 -3.049 -1.097 72 HA ALA 10 HA ALA 10 -5.448 -2.135 1.326 73 HB1 ALA 10 1HB ALA 10 -4.407 -4.429 1.430 74 HB2 ALA 10 2HB ALA 10 -5.026 -4.712 -0.197 75 HB3 ALA 10 3HB ALA 10 -6.147 -4.425 1.135 76 H LYS 11 H LYS 11 -4.040 -2.548 -1.844 77 HA LYS 11 HA LYS 11 -1.312 -2.559 -1.140 78 HB2 LYS 11 2HB LYS 11 -2.366 -3.030 -3.425 79 HB3 LYS 11 1HB LYS 11 -2.418 -1.280 -3.638 80 HG2 LYS 11 2HG LYS 11 0.005 -1.135 -3.296 81 HG3 LYS 11 1HG LYS 11 0.082 -2.879 -3.003 82 HD2 LYS 11 2HD LYS 11 -0.982 -3.143 -5.332 83 HD3 LYS 11 1HD LYS 11 -0.578 -1.444 -5.581 84 HE2 LYS 11 2HE LYS 11 1.265 -3.789 -5.205 85 HE3 LYS 11 1HE LYS 11 1.322 -2.516 -6.425 86 HZ1 LYS 11 1HZ LYS 11 2.995 -2.421 -4.520 87 HZ2 LYS 11 2HZ LYS 11 1.692 -1.906 -3.560 88 HZ3 LYS 11 3HZ LYS 11 2.168 -0.993 -4.912 89 H ASP 12 H ASP 12 -3.606 0.077 -1.633 90 HA ASP 12 HA ASP 12 -1.800 2.223 -1.682 91 HB2 ASP 12 2HB ASP 12 -4.303 2.263 -2.164 92 HB3 ASP 12 1HB ASP 12 -4.536 2.325 -0.412 93 H ILE 13 H ILE 13 -3.402 0.618 1.053 94 HA ILE 13 HA ILE 13 -2.263 2.348 3.030 95 HB ILE 13 HB ILE 13 -3.555 -0.380 3.241 96 HG12 ILE 13 2HG1 ILE 13 -5.236 1.332 4.465 97 HG13 ILE 13 1HG1 ILE 13 -4.492 2.467 3.335 98 HG21 ILE 13 1HG2 ILE 13 -3.749 0.330 5.700 99 HG22 ILE 13 2HG2 ILE 13 -2.508 1.529 5.339 100 HG23 ILE 13 3HG2 ILE 13 -2.153 -0.189 5.156 101 HD11 ILE 13 1HD1 ILE 13 -6.526 1.404 2.383 102 HD12 ILE 13 2HD1 ILE 13 -5.766 -0.177 2.560 103 HD13 ILE 13 3HD1 ILE 13 -5.081 1.011 1.451 104 H ALA 14 H ALA 14 -1.611 -1.045 2.129 105 HA ALA 14 HA ALA 14 0.661 -1.346 3.783 106 HB1 ALA 14 1HB ALA 14 -0.541 -3.269 2.866 107 HB2 ALA 14 2HB ALA 14 1.153 -3.320 2.375 108 HB3 ALA 14 3HB ALA 14 -0.082 -2.795 1.229 109 H GLY 15 H GLY 15 0.230 -0.080 0.544 110 HA2 GLY 15 2HA GLY 15 2.953 -0.120 -0.254 111 HA3 GLY 15 1HA GLY 15 1.683 0.890 -0.953 112 H HIS 16 H HIS 16 0.977 2.741 0.577 113 HA HIS 16 HA HIS 16 3.104 4.514 0.904 114 HB2 HIS 16 2HB HIS 16 1.518 6.024 1.599 115 HB3 HIS 16 1HB HIS 16 0.444 4.806 0.917 116 HD2 HIS 16 2HD HIS 16 1.843 5.683 4.545 117 HE1 HIS 16 1HE HIS 16 -1.894 3.752 4.918 118 HE2 HIS 16 2HE HIS 16 -0.018 4.890 6.197 119 H LEU 17 H LEU 17 1.394 2.597 3.357 120 HA LEU 17 HA LEU 17 2.702 3.419 5.641 121 HB2 LEU 17 2HB LEU 17 0.859 1.871 5.773 122 HB3 LEU 17 1HB LEU 17 1.760 0.645 4.876 123 HG LEU 17 HG LEU 17 3.164 1.649 7.279 124 HD11 LEU 17 1HD1 LEU 17 0.595 0.058 7.551 125 HD12 LEU 17 2HD1 LEU 17 0.869 1.695 8.148 126 HD13 LEU 17 3HD1 LEU 17 1.757 0.342 8.847 127 HD21 LEU 17 1HD2 LEU 17 3.782 -0.639 7.489 128 HD22 LEU 17 2HD2 LEU 17 3.728 -0.348 5.750 129 HD23 LEU 17 3HD2 LEU 17 2.395 -1.183 6.545 130 H ALA 18 H ALA 18 3.845 1.251 3.121 131 HA ALA 18 HA ALA 18 6.177 0.381 4.549 132 HB1 ALA 18 1HB ALA 18 5.057 -0.848 2.631 133 HB2 ALA 18 2HB ALA 18 6.811 -0.702 2.519 134 HB3 ALA 18 3HB ALA 18 5.776 0.352 1.556 135 H SER 19 H SER 19 5.380 3.058 2.456 136 HA SER 19 HA SER 19 7.950 3.851 1.662 137 HB2 SER 19 2HB SER 19 5.703 4.765 0.869 138 HB3 SER 19 1HB SER 19 5.710 5.762 2.321 139 HG SER 19 HG SER 19 7.154 5.992 0.007 140 H LYS 20 H LYS 20 6.198 4.336 4.667 141 HA LYS 20 HA LYS 20 7.754 6.367 5.800 142 HB2 LYS 20 2HB LYS 20 5.663 4.671 6.633 143 HB3 LYS 20 1HB LYS 20 6.972 4.432 7.794 144 HG2 LYS 20 2HG LYS 20 5.723 6.260 8.658 145 HG3 LYS 20 1HG LYS 20 7.133 6.997 7.898 146 HD2 LYS 20 2HD LYS 20 5.461 8.315 6.982 147 HD3 LYS 20 1HD LYS 20 5.530 7.041 5.767 148 HE2 LYS 20 2HE LYS 20 3.208 7.373 6.339 149 HE3 LYS 20 1HE LYS 20 3.713 5.840 7.048 150 HZ1 LYS 20 1HZ LYS 20 4.244 7.243 9.099 151 HZ2 LYS 20 2HZ LYS 20 2.612 6.910 8.765 152 HZ3 LYS 20 3HZ LYS 20 3.266 8.431 8.386 153 H VAL 21 H VAL 21 8.121 2.833 6.062 154 HA VAL 21 HA VAL 21 10.442 2.851 7.650 155 HB VAL 21 HB VAL 21 9.546 0.810 5.601 156 HG11 VAL 21 1HG1 VAL 21 10.913 -0.714 7.139 157 HG12 VAL 21 2HG1 VAL 21 11.608 0.760 7.814 158 HG13 VAL 21 3HG1 VAL 21 11.839 0.377 6.108 159 HG21 VAL 21 1HG2 VAL 21 7.870 1.252 7.356 160 HG22 VAL 21 2HG2 VAL 21 9.101 1.018 8.597 161 HG23 VAL 21 3HG2 VAL 21 8.600 -0.337 7.585 162 H MET 22 H MET 22 9.998 2.974 4.146 163 HA MET 22 HA MET 22 12.679 2.644 3.376 164 HB2 MET 22 2HB MET 22 10.368 2.903 2.020 165 HB3 MET 22 1HB MET 22 10.991 4.539 1.818 166 HG2 MET 22 2HG MET 22 13.113 3.628 0.942 167 HG3 MET 22 1HG MET 22 12.487 1.985 1.142 168 HE1 MET 22 1HE MET 22 11.671 5.056 -2.072 169 HE2 MET 22 2HE MET 22 13.231 4.402 -1.579 170 HE3 MET 22 3HE MET 22 12.278 5.346 -0.435 171 H ASN 23 H ASN 23 10.823 5.584 4.098 172 HA ASN 23 HA ASN 23 13.077 7.327 3.722 173 HB2 ASN 23 2HB ASN 23 10.505 7.815 3.536 174 HB3 ASN 23 1HB ASN 23 10.660 8.126 5.265 175 HD21 ASN 23 1HD2 ASN 23 10.756 10.372 5.488 176 HD22 ASN 23 2HD2 ASN 23 11.765 11.386 4.574 177 H LYS 24 H LYS 24 11.580 5.680 6.427 178 HA LYS 24 HA LYS 24 13.191 7.122 8.380 179 HB2 LYS 24 2HB LYS 24 10.727 6.207 8.612 180 HB3 LYS 24 1HB LYS 24 11.568 4.735 9.073 181 HG2 LYS 24 2HG LYS 24 11.287 5.840 11.130 182 HG3 LYS 24 1HG LYS 24 12.933 6.256 10.670 183 HD2 LYS 24 2HD LYS 24 11.433 8.242 9.437 184 HD3 LYS 24 1HD LYS 24 10.602 7.992 10.968 185 HE2 LYS 24 2HE LYS 24 12.287 9.662 11.352 186 HE3 LYS 24 1HE LYS 24 12.848 8.174 12.116 187 HZ1 LYS 24 1HZ LYS 24 14.668 8.982 10.915 188 HZ2 LYS 24 2HZ LYS 24 13.725 9.360 9.552 189 HZ3 LYS 24 3HZ LYS 24 14.039 7.738 9.947 190 H LEU 25 H LEU 25 13.600 4.490 6.354 191 HA LEU 25 HA LEU 25 14.799 2.464 6.600 192 HB2 LEU 25 2HB LEU 25 17.252 3.121 6.650 193 HB3 LEU 25 1HB LEU 25 16.270 3.891 5.397 194 HG LEU 25 HG LEU 25 16.474 5.296 8.029 195 HD11 LEU 25 1HD1 LEU 25 18.608 6.381 7.240 196 HD12 LEU 25 2HD1 LEU 25 18.724 5.124 6.008 197 HD13 LEU 25 3HD1 LEU 25 18.791 4.694 7.718 198 HD21 LEU 25 1HD2 LEU 25 16.052 7.190 6.740 199 HD22 LEU 25 2HD2 LEU 25 15.234 5.959 5.780 200 HD23 LEU 25 3HD2 LEU 25 16.836 6.520 5.310 201 HN1 NH2 26 HN1 NH2 26 13.603 2.634 9.099 202 HN2 NH2 26 HN2 NH2 26 14.754 2.266 10.315
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