NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647532 | 6u7w | 30670 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -7.513 -1.055 0.953 2 HA2 GLY 1 2HA GLY 1 -6.934 -2.926 2.339 3 HA3 GLY 1 1HA GLY 1 -7.875 -3.953 1.269 4 H LYS 2 H LYS 2 -6.035 -1.738 -0.421 5 HA LYS 2 HA LYS 2 -4.221 -3.855 -1.223 6 HB2 LYS 2 2HB LYS 2 -5.396 -2.602 -2.967 7 HB3 LYS 2 1HB LYS 2 -4.735 -1.101 -2.357 8 HG2 LYS 2 2HG LYS 2 -3.577 -1.756 -4.352 9 HG3 LYS 2 1HG LYS 2 -2.479 -1.867 -2.977 10 HD2 LYS 2 2HD LYS 2 -2.789 -4.275 -2.904 11 HD3 LYS 2 1HD LYS 2 -3.968 -4.175 -4.215 12 HE2 LYS 2 2HE LYS 2 -2.253 -3.276 -5.692 13 HE3 LYS 2 1HE LYS 2 -1.073 -3.381 -4.390 14 HZ1 LYS 2 1HZ LYS 2 -2.515 -5.707 -5.544 15 HZ2 LYS 2 2HZ LYS 2 -1.277 -5.768 -4.404 16 HZ3 LYS 2 3HZ LYS 2 -0.959 -5.246 -5.972 17 H ALA 3 H AZH 3 -2.480 -4.013 0.010 18 HA ALA 3 HA AZH 3 -1.105 -1.544 0.759 19 HB1 ALA 3 1HB AZH 3 -0.066 -3.265 2.540 20 HB2 ALA 3 2HB AZH 3 -1.663 -3.975 2.336 21 H LEU 4 H LEU 4 0.860 -1.216 0.204 22 HA LEU 4 HA LEU 4 2.266 -3.401 -1.124 23 HB2 LEU 4 2HB LEU 4 2.445 -0.423 -1.567 24 HB3 LEU 4 1HB LEU 4 3.479 -1.608 -2.337 25 HG LEU 4 HG LEU 4 0.505 -1.447 -2.666 26 HD11 LEU 4 1HD1 LEU 4 1.600 0.481 -3.664 27 HD12 LEU 4 2HD1 LEU 4 0.984 -0.602 -4.912 28 HD13 LEU 4 3HD1 LEU 4 2.704 -0.587 -4.530 29 HD21 LEU 4 1HD2 LEU 4 0.919 -2.989 -4.578 30 HD22 LEU 4 2HD2 LEU 4 1.267 -3.696 -3.005 31 HD23 LEU 4 3HD2 LEU 4 2.589 -3.140 -4.033 32 H PHE 5 H PHE 5 3.717 -4.156 0.158 33 HA PHE 5 HA PHE 5 4.928 -2.432 2.119 34 HB2 PHE 5 2HB PHE 5 5.171 -5.422 1.701 35 HB3 PHE 5 1HB PHE 5 5.958 -4.526 2.998 36 HD1 PHE 5 1HD PHE 5 2.756 -5.774 1.723 37 HD2 PHE 5 2HD PHE 5 4.691 -3.659 4.863 38 HE1 PHE 5 1HE PHE 5 0.734 -5.985 3.103 39 HE2 PHE 5 2HE PHE 5 2.681 -3.865 6.250 40 HZ PHE 5 HZ PHE 5 0.691 -5.031 5.376 41 H SER 6 H SER 6 5.962 -1.170 0.812 42 HA SER 6 HA SER 6 8.388 -2.158 -0.416 43 HB2 SER 6 2HB SER 6 6.560 -1.874 -2.157 44 HB3 SER 6 1HB SER 6 6.392 -0.209 -1.665 45 HG SER 6 HG SER 6 8.455 -1.464 -3.072 46 H ASN 7 H ASN 7 9.241 0.412 -1.164 47 HA ASN 7 HA ASN 7 8.883 1.923 1.308 48 HB2 ASN 7 2HB ASN 7 11.177 0.921 1.182 49 HB3 ASN 7 1HB ASN 7 11.450 1.823 -0.307 50 HD21 ASN 7 1HD2 ASN 7 11.841 4.044 -0.185 51 HD22 ASN 7 2HD2 ASN 7 12.118 4.857 1.300 52 HA PRO 8 HA PRO 8 8.168 3.577 2.023 53 HB2 PRO 8 2HB PRO 8 5.858 5.247 1.378 54 HB3 PRO 8 1HB PRO 8 7.243 5.632 2.402 55 HG2 PRO 8 2HG PRO 8 6.830 6.843 0.027 56 HG3 PRO 8 1HG PRO 8 8.456 6.520 0.655 57 HD2 PRO 8 2HD PRO 8 6.871 4.956 -1.363 58 HD3 PRO 8 1HD PRO 8 8.572 5.464 -1.428 59 HA PRO 9 HA PRO 9 4.810 0.613 1.586 60 HB2 PRO 9 2HB PRO 9 4.020 1.008 4.365 61 HB3 PRO 9 1HB PRO 9 4.817 -0.391 3.642 62 HG2 PRO 9 2HG PRO 9 6.067 1.265 5.392 63 HG3 PRO 9 1HG PRO 9 6.922 0.404 4.103 64 HD2 PRO 9 2HD PRO 9 6.013 3.258 4.191 65 HD3 PRO 9 1HD PRO 9 7.545 2.572 3.602 66 H ILE 10 H ILE 10 3.222 1.479 0.401 67 HA ILE 10 HA ILE 10 1.542 3.489 1.657 68 HB ILE 10 HB ILE 10 2.515 4.239 -0.450 69 HG12 ILE 10 2HG1 ILE 10 -0.443 3.677 -0.810 70 HG13 ILE 10 1HG1 ILE 10 0.228 5.002 0.131 71 HG21 ILE 10 1HG2 ILE 10 2.915 2.130 -1.545 72 HG22 ILE 10 2HG2 ILE 10 1.966 3.179 -2.600 73 HG23 ILE 10 3HG2 ILE 10 1.180 1.863 -1.729 74 HD11 ILE 10 1HD1 ILE 10 -0.542 5.755 -2.042 75 HD12 ILE 10 2HD1 ILE 10 0.538 4.608 -2.836 76 HD13 ILE 10 3HD1 ILE 10 1.206 5.943 -1.897 77 H ALA 11 H PRG 11 -0.562 3.133 2.031 78 HA ALA 11 HA PRG 11 -1.624 0.582 1.117 79 HB1 ALA 11 1HB PRG 11 -2.816 0.292 3.208 80 HB2 ALA 11 2HB PRG 11 -2.135 1.724 3.904 81 H PHE 12 H PHE 12 -3.690 0.513 0.604 82 HA PHE 12 HA PHE 12 -4.963 3.123 0.213 83 HB2 PHE 12 2HB PHE 12 -5.226 0.608 -1.446 84 HB3 PHE 12 1HB PHE 12 -6.030 2.134 -1.767 85 HD1 PHE 12 1HD PHE 12 -2.826 0.352 -1.858 86 HD2 PHE 12 2HD PHE 12 -4.844 3.984 -2.750 87 HE1 PHE 12 1HE PHE 12 -0.925 1.056 -3.249 88 HE2 PHE 12 2HE PHE 12 -2.953 4.696 -4.132 89 HZ PHE 12 HZ PHE 12 -0.987 3.233 -4.390 90 HA PRO 13 HA PRO 13 -8.244 1.898 2.944 91 HB2 PRO 13 2HB PRO 13 -10.019 3.104 0.874 92 HB3 PRO 13 1HB PRO 13 -9.964 3.396 2.617 93 HG2 PRO 13 2HG PRO 13 -8.914 5.163 0.965 94 HG3 PRO 13 1HG PRO 13 -8.067 4.735 2.463 95 HD2 PRO 13 2HD PRO 13 -7.488 3.895 -0.347 96 HD3 PRO 13 1HD PRO 13 -6.374 4.307 0.974 97 H ASN 14 H ASN 14 -8.389 0.914 -0.429 98 HA ASN 14 HA ASN 14 -10.657 -0.809 0.000 99 HB2 ASN 14 2HB ASN 14 -10.407 -1.600 -2.260 100 HB3 ASN 14 1HB ASN 14 -10.183 0.137 -2.270 101 HD21 ASN 14 1HD2 ASN 14 -9.330 -1.999 -4.100 102 HD22 ASN 14 2HD2 ASN 14 -7.637 -1.814 -4.304 103 H1 WMH 101 1HG AZH 3 -2.303 -2.361 3.966 104 H2 WMH 101 2HG AZH 3 -2.289 -1.429 2.531 105 H5 WMH 101 HD PRG 11 0.594 1.664 4.416 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -7.785 -0.953 1.283 2 HA2 GLY 1 2HA GLY 1 -7.257 -2.794 2.641 3 HA3 GLY 1 1HA GLY 1 -8.475 -3.734 1.798 4 H LYS 2 H LYS 2 -5.608 -1.952 0.682 5 HA LYS 2 HA LYS 2 -4.281 -4.428 -0.022 6 HB2 LYS 2 2HB LYS 2 -5.012 -2.303 -2.055 7 HB3 LYS 2 1HB LYS 2 -3.714 -3.461 -2.340 8 HG2 LYS 2 2HG LYS 2 -6.618 -4.142 -1.871 9 HG3 LYS 2 1HG LYS 2 -5.824 -4.064 -3.447 10 HD2 LYS 2 2HD LYS 2 -4.368 -5.895 -2.866 11 HD3 LYS 2 1HD LYS 2 -4.950 -5.895 -1.206 12 HE2 LYS 2 2HE LYS 2 -6.644 -6.506 -3.624 13 HE3 LYS 2 1HE LYS 2 -5.911 -7.713 -2.575 14 HZ1 LYS 2 1HZ LYS 2 -8.176 -7.379 -1.935 15 HZ2 LYS 2 2HZ LYS 2 -7.997 -5.725 -1.800 16 HZ3 LYS 2 3HZ LYS 2 -7.207 -6.742 -0.717 17 H ALA 3 H AZH 3 -1.989 -4.148 -0.190 18 HA ALA 3 HA AZH 3 -1.027 -1.524 0.575 19 HB1 ALA 3 1HB AZH 3 0.392 -2.916 2.356 20 HB2 ALA 3 2HB AZH 3 -1.066 -3.899 2.345 21 H LEU 4 H LEU 4 0.934 -1.029 -0.034 22 HA LEU 4 HA LEU 4 2.339 -2.953 -1.680 23 HB2 LEU 4 2HB LEU 4 2.597 0.037 -1.399 24 HB3 LEU 4 1HB LEU 4 3.732 -0.934 -2.299 25 HG LEU 4 HG LEU 4 2.289 0.117 -3.849 26 HD11 LEU 4 1HD1 LEU 4 1.285 -1.739 -5.025 27 HD12 LEU 4 2HD1 LEU 4 1.433 -2.744 -3.589 28 HD13 LEU 4 3HD1 LEU 4 2.883 -2.147 -4.402 29 HD21 LEU 4 1HD2 LEU 4 -0.042 -1.023 -2.317 30 HD22 LEU 4 2HD2 LEU 4 -0.146 -0.139 -3.841 31 HD23 LEU 4 3HD2 LEU 4 0.429 0.674 -2.387 32 H PHE 5 H PHE 5 3.742 -4.066 -0.652 33 HA PHE 5 HA PHE 5 5.043 -3.078 1.717 34 HB2 PHE 5 2HB PHE 5 5.541 -5.692 0.265 35 HB3 PHE 5 1HB PHE 5 5.934 -5.312 1.940 36 HD1 PHE 5 1HD PHE 5 3.520 -6.708 -0.254 37 HD2 PHE 5 2HD PHE 5 3.954 -4.756 3.503 38 HE1 PHE 5 1HE PHE 5 1.309 -7.514 0.415 39 HE2 PHE 5 2HE PHE 5 1.744 -5.571 4.180 40 HZ PHE 5 HZ PHE 5 0.414 -6.951 2.626 41 H SER 6 H SER 6 6.108 -1.376 0.799 42 HA SER 6 HA SER 6 8.661 -1.983 -0.389 43 HB2 SER 6 2HB SER 6 6.684 -0.062 -1.665 44 HB3 SER 6 1HB SER 6 8.343 -0.322 -2.194 45 HG SER 6 HG SER 6 7.049 -2.657 -2.018 46 H ASN 7 H ASN 7 9.463 0.634 -0.796 47 HA ASN 7 HA ASN 7 8.830 1.966 1.729 48 HB2 ASN 7 2HB ASN 7 11.152 1.003 1.563 49 HB3 ASN 7 1HB ASN 7 11.446 2.080 0.206 50 HD21 ASN 7 1HD2 ASN 7 12.845 1.943 2.658 51 HD22 ASN 7 2HD2 ASN 7 12.715 3.487 3.423 52 HA PRO 8 HA PRO 8 7.995 3.576 2.444 53 HB2 PRO 8 2HB PRO 8 5.886 5.181 2.421 54 HB3 PRO 8 1HB PRO 8 7.520 5.854 2.333 55 HG2 PRO 8 2HG PRO 8 5.563 5.367 0.120 56 HG3 PRO 8 1HG PRO 8 6.542 6.810 0.442 57 HD2 PRO 8 2HD PRO 8 7.246 4.890 -1.366 58 HD3 PRO 8 1HD PRO 8 8.420 5.898 -0.496 59 HA PRO 9 HA PRO 9 4.684 0.633 1.918 60 HB2 PRO 9 2HB PRO 9 3.417 0.863 4.349 61 HB3 PRO 9 1HB PRO 9 4.901 -0.061 4.108 62 HG2 PRO 9 2HG PRO 9 4.535 2.672 5.243 63 HG3 PRO 9 1HG PRO 9 5.677 1.405 5.714 64 HD2 PRO 9 2HD PRO 9 6.363 3.568 4.203 65 HD3 PRO 9 1HD PRO 9 7.189 2.002 4.097 66 H ILE 10 H ILE 10 3.391 1.449 0.422 67 HA ILE 10 HA ILE 10 1.534 3.631 0.992 68 HB ILE 10 HB ILE 10 2.075 2.083 -1.563 69 HG12 ILE 10 2HG1 ILE 10 2.928 4.885 -0.780 70 HG13 ILE 10 1HG1 ILE 10 3.978 3.476 -0.814 71 HG21 ILE 10 1HG2 ILE 10 0.379 4.538 -1.120 72 HG22 ILE 10 2HG2 ILE 10 -0.189 2.930 -1.565 73 HG23 ILE 10 3HG2 ILE 10 0.802 3.860 -2.690 74 HD11 ILE 10 1HD1 ILE 10 3.636 3.292 -3.227 75 HD12 ILE 10 2HD1 ILE 10 4.301 4.861 -2.773 76 HD13 ILE 10 3HD1 ILE 10 2.592 4.713 -3.183 77 H ALA 11 H PRG 11 -0.589 3.194 1.504 78 HA ALA 11 HA PRG 11 -1.492 0.509 0.837 79 HB1 ALA 11 1HB PRG 11 -2.711 0.287 2.919 80 HB2 ALA 11 2HB PRG 11 -2.168 1.810 3.522 81 H PHE 12 H PHE 12 -3.562 0.246 0.341 82 HA PHE 12 HA PHE 12 -4.882 2.690 -0.532 83 HB2 PHE 12 2HB PHE 12 -5.296 -0.187 -1.354 84 HB3 PHE 12 1HB PHE 12 -6.246 1.159 -1.953 85 HD1 PHE 12 1HD PHE 12 -4.609 3.164 -2.868 86 HD2 PHE 12 2HD PHE 12 -3.720 -1.001 -2.794 87 HE1 PHE 12 1HE PHE 12 -3.034 3.461 -4.719 88 HE2 PHE 12 2HE PHE 12 -2.144 -0.701 -4.639 89 HZ PHE 12 HZ PHE 12 -1.793 1.532 -5.607 90 HA PRO 13 HA PRO 13 -7.876 2.228 2.786 91 HB2 PRO 13 2HB PRO 13 -9.677 3.621 0.876 92 HB3 PRO 13 1HB PRO 13 -9.249 4.060 2.533 93 HG2 PRO 13 2HG PRO 13 -8.227 5.424 0.515 94 HG3 PRO 13 1HG PRO 13 -7.205 4.978 1.893 95 HD2 PRO 13 2HD PRO 13 -7.370 3.712 -0.819 96 HD3 PRO 13 1HD PRO 13 -5.948 4.128 0.169 97 H ASN 14 H ASN 14 -8.234 0.895 -0.303 98 HA ASN 14 HA ASN 14 -10.774 -0.401 0.286 99 HB2 ASN 14 2HB ASN 14 -10.624 -1.334 -2.008 100 HB3 ASN 14 1HB ASN 14 -10.520 0.420 -1.984 101 HD21 ASN 14 1HD2 ASN 14 -8.856 -2.539 -2.641 102 HD22 ASN 14 2HD2 ASN 14 -7.508 -1.827 -3.440 103 H1 WMH 101 1HG AZH 3 -1.957 -2.293 3.859 104 H2 WMH 101 2HG AZH 3 -2.021 -1.404 2.410 105 H5 WMH 101 HD PRG 11 0.489 2.021 4.170 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.412 -0.836 1.081 2 HA2 GLY 1 2HA GLY 1 -6.917 -2.641 2.563 3 HA3 GLY 1 1HA GLY 1 -8.032 -3.641 1.649 4 H LYS 2 H LYS 2 -6.143 -1.804 -0.451 5 HA LYS 2 HA LYS 2 -4.521 -4.150 -1.008 6 HB2 LYS 2 2HB LYS 2 -5.649 -2.901 -2.865 7 HB3 LYS 2 1HB LYS 2 -4.631 -1.520 -2.504 8 HG2 LYS 2 2HG LYS 2 -3.724 -2.697 -4.409 9 HG3 LYS 2 1HG LYS 2 -2.632 -2.886 -3.036 10 HD2 LYS 2 2HD LYS 2 -3.510 -5.119 -2.616 11 HD3 LYS 2 1HD LYS 2 -4.685 -4.924 -3.913 12 HE2 LYS 2 2HE LYS 2 -2.822 -6.277 -4.678 13 HE3 LYS 2 1HE LYS 2 -2.838 -4.741 -5.534 14 HZ1 LYS 2 1HZ LYS 2 -1.061 -5.420 -3.243 15 HZ2 LYS 2 2HZ LYS 2 -1.046 -3.960 -4.128 16 HZ3 LYS 2 3HZ LYS 2 -0.620 -5.394 -4.863 17 H ALA 3 H AZH 3 -2.565 -4.336 -0.230 18 HA ALA 3 HA AZH 3 -1.090 -1.928 0.504 19 HB1 ALA 3 1HB AZH 3 -0.151 -3.641 2.341 20 HB2 ALA 3 2HB AZH 3 -1.790 -4.254 2.180 21 H LEU 4 H LEU 4 0.871 -1.757 -0.156 22 HA LEU 4 HA LEU 4 2.334 -4.179 -0.749 23 HB2 LEU 4 2HB LEU 4 3.532 -3.080 -2.614 24 HB3 LEU 4 1HB LEU 4 1.831 -3.265 -2.946 25 HG LEU 4 HG LEU 4 2.971 -0.625 -2.023 26 HD11 LEU 4 1HD1 LEU 4 3.125 -0.013 -4.388 27 HD12 LEU 4 2HD1 LEU 4 2.673 -1.653 -4.851 28 HD13 LEU 4 3HD1 LEU 4 4.201 -1.359 -4.022 29 HD21 LEU 4 1HD2 LEU 4 0.537 -0.891 -1.939 30 HD22 LEU 4 2HD2 LEU 4 0.533 -1.405 -3.625 31 HD23 LEU 4 3HD2 LEU 4 1.004 0.242 -3.208 32 H PHE 5 H PHE 5 4.087 -4.324 0.341 33 HA PHE 5 HA PHE 5 4.746 -2.104 2.029 34 HB2 PHE 5 2HB PHE 5 5.683 -4.974 2.115 35 HB3 PHE 5 1HB PHE 5 6.158 -3.738 3.274 36 HD1 PHE 5 1HD PHE 5 3.420 -5.883 2.107 37 HD2 PHE 5 2HD PHE 5 4.589 -2.913 4.922 38 HE1 PHE 5 1HE PHE 5 1.411 -6.355 3.427 39 HE2 PHE 5 2HE PHE 5 2.582 -3.384 6.252 40 HZ PHE 5 HZ PHE 5 0.983 -5.107 5.509 41 H SER 6 H SER 6 5.426 -1.065 0.033 42 HA SER 6 HA SER 6 8.105 -1.568 -0.865 43 HB2 SER 6 2HB SER 6 7.483 0.613 -2.099 44 HB3 SER 6 1HB SER 6 6.547 -0.833 -2.495 45 HG SER 6 HG SER 6 5.792 1.413 -0.943 46 H ASN 7 H ASN 7 9.051 1.081 -0.991 47 HA ASN 7 HA ASN 7 8.790 2.103 1.725 48 HB2 ASN 7 2HB ASN 7 10.931 0.929 1.582 49 HB3 ASN 7 1HB ASN 7 11.375 1.876 0.164 50 HD21 ASN 7 1HD2 ASN 7 13.147 2.781 1.097 51 HD22 ASN 7 2HD2 ASN 7 13.066 3.955 2.358 52 HA PRO 8 HA PRO 8 7.870 3.675 2.619 53 HB2 PRO 8 2HB PRO 8 5.625 5.150 2.374 54 HB3 PRO 8 1HB PRO 8 7.183 5.897 2.744 55 HG2 PRO 8 2HG PRO 8 5.801 5.626 0.095 56 HG3 PRO 8 1HG PRO 8 6.534 7.071 0.819 57 HD2 PRO 8 2HD PRO 8 7.851 5.635 -1.006 58 HD3 PRO 8 1HD PRO 8 8.693 6.350 0.382 59 HA PRO 9 HA PRO 9 4.981 0.520 1.300 60 HB2 PRO 9 2HB PRO 9 3.551 0.216 3.627 61 HB3 PRO 9 1HB PRO 9 5.149 -0.493 3.375 62 HG2 PRO 9 2HG PRO 9 4.386 1.973 4.861 63 HG3 PRO 9 1HG PRO 9 5.620 0.761 5.248 64 HD2 PRO 9 2HD PRO 9 6.200 3.181 4.150 65 HD3 PRO 9 1HD PRO 9 7.180 1.729 3.863 66 H ILE 10 H ILE 10 3.194 0.814 0.139 67 HA ILE 10 HA ILE 10 1.586 3.183 0.749 68 HB ILE 10 HB ILE 10 1.762 1.630 -1.853 69 HG12 ILE 10 2HG1 ILE 10 3.018 4.297 -1.134 70 HG13 ILE 10 1HG1 ILE 10 3.890 2.777 -1.274 71 HG21 ILE 10 1HG2 ILE 10 0.486 4.300 -1.209 72 HG22 ILE 10 2HG2 ILE 10 -0.372 2.800 -1.565 73 HG23 ILE 10 3HG2 ILE 10 0.594 3.580 -2.817 74 HD11 ILE 10 1HD1 ILE 10 4.182 4.155 -3.252 75 HD12 ILE 10 2HD1 ILE 10 2.438 4.194 -3.499 76 HD13 ILE 10 3HD1 ILE 10 3.316 2.673 -3.649 77 H ALA 11 H PRG 11 -0.283 2.761 1.744 78 HA ALA 11 HA PRG 11 -1.594 0.310 0.917 79 HB1 ALA 11 1HB PRG 11 -2.672 0.111 3.084 80 HB2 ALA 11 2HB PRG 11 -1.862 1.508 3.712 81 H PHE 12 H PHE 12 -3.557 0.338 0.356 82 HA PHE 12 HA PHE 12 -4.701 2.977 -0.117 83 HB2 PHE 12 2HB PHE 12 -5.239 0.315 -1.451 84 HB3 PHE 12 1HB PHE 12 -6.070 1.811 -1.843 85 HD1 PHE 12 1HD PHE 12 -5.037 3.478 -3.191 86 HD2 PHE 12 2HD PHE 12 -2.867 0.017 -2.021 87 HE1 PHE 12 1HE PHE 12 -3.300 4.013 -4.842 88 HE2 PHE 12 2HE PHE 12 -1.126 0.549 -3.671 89 HZ PHE 12 HZ PHE 12 -1.339 2.549 -5.080 90 HA PRO 13 HA PRO 13 -7.833 2.410 2.962 91 HB2 PRO 13 2HB PRO 13 -9.662 3.517 0.881 92 HB3 PRO 13 1HB PRO 13 -9.430 4.023 2.558 93 HG2 PRO 13 2HG PRO 13 -8.385 5.454 0.601 94 HG3 PRO 13 1HG PRO 13 -7.459 5.157 2.082 95 HD2 PRO 13 2HD PRO 13 -7.176 3.901 -0.611 96 HD3 PRO 13 1HD PRO 13 -5.930 4.378 0.563 97 H ASN 14 H ASN 14 -8.242 1.097 -0.221 98 HA ASN 14 HA ASN 14 -10.662 -0.353 0.376 99 HB2 ASN 14 2HB ASN 14 -10.541 -1.237 -1.846 100 HB3 ASN 14 1HB ASN 14 -10.108 0.460 -1.933 101 HD21 ASN 14 1HD2 ASN 14 -9.507 -1.644 -3.813 102 HD22 ASN 14 2HD2 ASN 14 -7.787 -1.701 -3.947 103 H1 WMH 101 1HG AZH 3 -2.290 -2.553 3.777 104 H2 WMH 101 2HG AZH 3 -2.262 -1.658 2.311 105 H5 WMH 101 HD PRG 11 0.884 1.278 4.062 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -7.854 -1.058 1.216 2 HA2 GLY 1 2HA GLY 1 -7.445 -3.046 2.411 3 HA3 GLY 1 1HA GLY 1 -8.490 -3.904 1.295 4 H LYS 2 H LYS 2 -5.788 -1.776 0.484 5 HA LYS 2 HA LYS 2 -4.366 -4.145 -0.460 6 HB2 LYS 2 2HB LYS 2 -5.592 -3.234 -2.374 7 HB3 LYS 2 1HB LYS 2 -4.852 -1.663 -2.117 8 HG2 LYS 2 2HG LYS 2 -2.644 -2.672 -2.547 9 HG3 LYS 2 1HG LYS 2 -3.448 -4.202 -2.902 10 HD2 LYS 2 2HD LYS 2 -4.689 -3.117 -4.719 11 HD3 LYS 2 1HD LYS 2 -3.866 -1.598 -4.361 12 HE2 LYS 2 2HE LYS 2 -1.712 -2.649 -4.841 13 HE3 LYS 2 1HE LYS 2 -2.535 -4.161 -5.208 14 HZ1 LYS 2 1HZ LYS 2 -2.902 -1.613 -6.679 15 HZ2 LYS 2 2HZ LYS 2 -3.638 -3.080 -7.045 16 HZ3 LYS 2 3HZ LYS 2 -1.978 -2.915 -7.196 17 H ALA 3 H AZH 3 -2.570 -4.118 0.671 18 HA ALA 3 HA AZH 3 -1.106 -1.609 0.871 19 HB1 ALA 3 1HB AZH 3 0.059 -3.075 2.794 20 HB2 ALA 3 2HB AZH 3 -1.552 -3.787 2.827 21 H LEU 4 H LEU 4 0.834 -1.448 0.100 22 HA LEU 4 HA LEU 4 1.917 -3.828 -1.197 23 HB2 LEU 4 2HB LEU 4 2.381 -0.899 -1.787 24 HB3 LEU 4 1HB LEU 4 3.274 -2.191 -2.542 25 HG LEU 4 HG LEU 4 1.699 -1.461 -4.116 26 HD11 LEU 4 1HD1 LEU 4 0.287 -3.380 -4.536 27 HD12 LEU 4 2HD1 LEU 4 0.563 -3.950 -2.894 28 HD13 LEU 4 3HD1 LEU 4 1.908 -3.860 -4.030 29 HD21 LEU 4 1HD2 LEU 4 -0.463 -1.735 -2.032 30 HD22 LEU 4 2HD2 LEU 4 -0.701 -1.251 -3.717 31 HD23 LEU 4 3HD2 LEU 4 0.220 -0.223 -2.621 32 H PHE 5 H PHE 5 3.864 -4.511 -0.713 33 HA PHE 5 HA PHE 5 5.128 -3.292 1.558 34 HB2 PHE 5 2HB PHE 5 5.819 -5.853 0.097 35 HB3 PHE 5 1HB PHE 5 6.563 -5.297 1.598 36 HD1 PHE 5 1HD PHE 5 4.913 -4.810 3.562 37 HD2 PHE 5 2HD PHE 5 3.986 -7.265 0.220 38 HE1 PHE 5 1HE PHE 5 3.123 -5.882 4.843 39 HE2 PHE 5 2HE PHE 5 2.191 -8.333 1.505 40 HZ PHE 5 HZ PHE 5 1.757 -7.646 3.816 41 H SER 6 H SER 6 6.000 -1.511 0.921 42 HA SER 6 HA SER 6 8.248 -1.570 -0.877 43 HB2 SER 6 2HB SER 6 5.876 0.294 -1.200 44 HB3 SER 6 1HB SER 6 7.346 0.310 -2.168 45 HG SER 6 HG SER 6 6.422 -2.138 -2.252 46 H ASN 7 H ASN 7 9.195 0.826 -0.737 47 HA ASN 7 HA ASN 7 8.583 2.016 1.851 48 HB2 ASN 7 2HB ASN 7 10.601 0.602 2.158 49 HB3 ASN 7 1HB ASN 7 11.392 1.458 0.840 50 HD21 ASN 7 1HD2 ASN 7 10.319 1.640 4.143 51 HD22 ASN 7 2HD2 ASN 7 11.177 3.076 4.547 52 HA PRO 8 HA PRO 8 8.115 3.889 2.693 53 HB2 PRO 8 2HB PRO 8 6.130 5.683 2.211 54 HB3 PRO 8 1HB PRO 8 7.772 6.179 2.637 55 HG2 PRO 8 2HG PRO 8 6.487 6.012 -0.061 56 HG3 PRO 8 1HG PRO 8 7.498 7.303 0.614 57 HD2 PRO 8 2HD PRO 8 8.487 5.458 -1.082 58 HD3 PRO 8 1HD PRO 8 9.457 6.141 0.235 59 HA PRO 9 HA PRO 9 4.912 1.007 1.739 60 HB2 PRO 9 2HB PRO 9 3.310 1.257 3.934 61 HB3 PRO 9 1HB PRO 9 4.866 0.423 3.956 62 HG2 PRO 9 2HG PRO 9 4.204 3.205 4.819 63 HG3 PRO 9 1HG PRO 9 5.234 1.999 5.612 64 HD2 PRO 9 2HD PRO 9 6.249 4.019 4.145 65 HD3 PRO 9 1HD PRO 9 7.020 2.422 4.213 66 H ILE 10 H ILE 10 3.315 1.175 0.345 67 HA ILE 10 HA ILE 10 1.595 3.548 0.397 68 HB ILE 10 HB ILE 10 2.018 1.568 -1.869 69 HG12 ILE 10 2HG1 ILE 10 3.146 4.364 -1.550 70 HG13 ILE 10 1HG1 ILE 10 4.069 2.876 -1.379 71 HG21 ILE 10 1HG2 ILE 10 0.873 3.264 -3.244 72 HG22 ILE 10 2HG2 ILE 10 0.630 4.256 -1.807 73 HG23 ILE 10 3HG2 ILE 10 -0.158 2.683 -1.933 74 HD11 ILE 10 1HD1 ILE 10 2.714 3.846 -3.885 75 HD12 ILE 10 2HD1 ILE 10 3.621 2.342 -3.724 76 HD13 ILE 10 3HD1 ILE 10 4.446 3.891 -3.549 77 H ALA 11 H PRG 11 -0.300 3.150 1.390 78 HA ALA 11 HA PRG 11 -1.480 0.528 0.914 79 HB1 ALA 11 1HB PRG 11 -2.556 0.608 3.079 80 HB2 ALA 11 2HB PRG 11 -1.795 2.099 3.505 81 H PHE 12 H PHE 12 -3.505 0.408 0.481 82 HA PHE 12 HA PHE 12 -4.907 2.907 -0.119 83 HB2 PHE 12 2HB PHE 12 -5.102 0.180 -1.403 84 HB3 PHE 12 1HB PHE 12 -6.162 1.526 -1.780 85 HD1 PHE 12 1HD PHE 12 -5.453 3.284 -3.208 86 HD2 PHE 12 2HD PHE 12 -2.726 0.236 -2.059 87 HE1 PHE 12 1HE PHE 12 -3.887 4.036 -4.945 88 HE2 PHE 12 2HE PHE 12 -1.154 0.990 -3.801 89 HZ PHE 12 HZ PHE 12 -1.736 2.886 -5.240 90 HA PRO 13 HA PRO 13 -7.697 1.598 3.044 91 HB2 PRO 13 2HB PRO 13 -9.830 3.170 2.386 92 HB3 PRO 13 1HB PRO 13 -8.398 3.762 3.233 93 HG2 PRO 13 2HG PRO 13 -9.104 3.947 0.345 94 HG3 PRO 13 1HG PRO 13 -8.373 5.170 1.395 95 HD2 PRO 13 2HD PRO 13 -6.917 3.702 -0.349 96 HD3 PRO 13 1HD PRO 13 -6.258 4.254 1.202 97 H ASN 14 H ASN 14 -8.218 1.038 -0.262 98 HA ASN 14 HA ASN 14 -10.713 -0.364 0.072 99 HB2 ASN 14 2HB ASN 14 -10.462 -1.075 -2.293 100 HB3 ASN 14 1HB ASN 14 -10.288 0.661 -2.112 101 HD21 ASN 14 1HD2 ASN 14 -8.667 -2.329 -2.878 102 HD22 ASN 14 2HD2 ASN 14 -7.272 -1.605 -3.567 103 H1 WMH 101 1HG AZH 3 -2.083 -1.919 4.235 104 H2 WMH 101 2HG AZH 3 -2.126 -1.213 2.683 105 H5 WMH 101 HD PRG 11 0.952 2.019 3.840 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.888 -1.169 1.086 2 HA2 GLY 1 2HA GLY 1 -7.403 -3.218 2.135 3 HA3 GLY 1 1HA GLY 1 -8.519 -4.023 1.041 4 H LYS 2 H LYS 2 -5.651 -1.949 0.702 5 HA LYS 2 HA LYS 2 -4.293 -4.078 -0.707 6 HB2 LYS 2 2HB LYS 2 -5.585 -2.907 -2.449 7 HB3 LYS 2 1HB LYS 2 -4.863 -1.388 -1.964 8 HG2 LYS 2 2HG LYS 2 -2.680 -2.176 -2.679 9 HG3 LYS 2 1HG LYS 2 -3.384 -3.735 -3.127 10 HD2 LYS 2 2HD LYS 2 -4.854 -2.608 -4.712 11 HD3 LYS 2 1HD LYS 2 -4.135 -1.056 -4.287 12 HE2 LYS 2 2HE LYS 2 -1.978 -1.821 -5.104 13 HE3 LYS 2 1HE LYS 2 -2.666 -3.401 -5.477 14 HZ1 LYS 2 1HZ LYS 2 -2.530 -2.028 -7.437 15 HZ2 LYS 2 2HZ LYS 2 -3.475 -0.828 -6.737 16 HZ3 LYS 2 3HZ LYS 2 -4.135 -2.342 -7.079 17 H ALA 3 H AZH 3 -2.132 -3.963 -0.300 18 HA ALA 3 HA AZH 3 -0.983 -1.483 0.625 19 HB1 ALA 3 1HB AZH 3 0.226 -3.115 2.382 20 HB2 ALA 3 2HB AZH 3 -1.343 -3.905 2.273 21 H LEU 4 H LEU 4 0.922 -1.078 -0.043 22 HA LEU 4 HA LEU 4 2.379 -3.132 -1.498 23 HB2 LEU 4 2HB LEU 4 1.815 -1.101 -2.717 24 HB3 LEU 4 1HB LEU 4 2.566 -0.130 -1.463 25 HG LEU 4 HG LEU 4 4.761 -1.098 -2.073 26 HD11 LEU 4 1HD1 LEU 4 4.018 -3.215 -2.991 27 HD12 LEU 4 2HD1 LEU 4 4.992 -2.331 -4.166 28 HD13 LEU 4 3HD1 LEU 4 3.235 -2.378 -4.331 29 HD21 LEU 4 1HD2 LEU 4 4.998 0.120 -4.188 30 HD22 LEU 4 2HD2 LEU 4 4.064 1.031 -3.003 31 HD23 LEU 4 3HD2 LEU 4 3.243 0.204 -4.326 32 H PHE 5 H PHE 5 3.815 -4.053 -0.308 33 HA PHE 5 HA PHE 5 4.909 -2.706 2.020 34 HB2 PHE 5 2HB PHE 5 5.281 -5.575 1.110 35 HB3 PHE 5 1HB PHE 5 5.802 -4.904 2.652 36 HD1 PHE 5 1HD PHE 5 4.008 -3.989 4.213 37 HD2 PHE 5 2HD PHE 5 3.129 -6.472 0.871 38 HE1 PHE 5 1HE PHE 5 1.830 -4.540 5.193 39 HE2 PHE 5 2HE PHE 5 0.950 -7.024 1.847 40 HZ PHE 5 HZ PHE 5 0.292 -6.061 4.011 41 H SER 6 H SER 6 6.172 -1.247 1.056 42 HA SER 6 HA SER 6 8.741 -2.129 0.117 43 HB2 SER 6 2HB SER 6 6.915 -0.389 -1.584 44 HB3 SER 6 1HB SER 6 8.601 -0.746 -1.944 45 HG SER 6 HG SER 6 7.157 -2.973 -1.472 46 H ASN 7 H ASN 7 9.635 0.376 -0.686 47 HA ASN 7 HA ASN 7 8.986 2.076 1.593 48 HB2 ASN 7 2HB ASN 7 11.628 1.747 0.151 49 HB3 ASN 7 1HB ASN 7 11.310 3.021 1.318 50 HD21 ASN 7 1HD2 ASN 7 9.759 1.314 3.112 51 HD22 ASN 7 2HD2 ASN 7 10.884 0.245 3.848 52 HA PRO 8 HA PRO 8 8.063 3.667 2.078 53 HB2 PRO 8 2HB PRO 8 5.975 5.282 1.829 54 HB3 PRO 8 1HB PRO 8 7.621 5.918 1.719 55 HG2 PRO 8 2HG PRO 8 5.670 5.327 -0.462 56 HG3 PRO 8 1HG PRO 8 6.781 6.695 -0.298 57 HD2 PRO 8 2HD PRO 8 7.240 4.422 -1.832 58 HD3 PRO 8 1HD PRO 8 8.489 5.552 -1.280 59 HA PRO 9 HA PRO 9 4.748 0.688 1.810 60 HB2 PRO 9 2HB PRO 9 3.563 1.038 4.252 61 HB3 PRO 9 1HB PRO 9 5.079 0.161 4.040 62 HG2 PRO 9 2HG PRO 9 4.620 2.955 4.978 63 HG3 PRO 9 1HG PRO 9 5.816 1.770 5.527 64 HD2 PRO 9 2HD PRO 9 6.396 3.834 3.830 65 HD3 PRO 9 1HD PRO 9 7.289 2.302 3.855 66 H ILE 10 H ILE 10 3.343 1.362 0.329 67 HA ILE 10 HA ILE 10 1.554 3.598 0.940 68 HB ILE 10 HB ILE 10 2.101 2.225 -1.715 69 HG12 ILE 10 2HG1 ILE 10 2.985 4.939 -0.693 70 HG13 ILE 10 1HG1 ILE 10 4.019 3.524 -0.829 71 HG21 ILE 10 1HG2 ILE 10 -0.163 3.161 -1.599 72 HG22 ILE 10 2HG2 ILE 10 0.847 4.082 -2.710 73 HG23 ILE 10 3HG2 ILE 10 0.502 4.719 -1.102 74 HD11 ILE 10 1HD1 ILE 10 3.719 3.552 -3.256 75 HD12 ILE 10 2HD1 ILE 10 4.389 5.069 -2.658 76 HD13 ILE 10 3HD1 ILE 10 2.685 4.973 -3.104 77 H ALA 11 H PRG 11 -0.413 3.113 1.671 78 HA ALA 11 HA PRG 11 -1.529 0.544 0.857 79 HB1 ALA 11 1HB PRG 11 -2.628 0.335 2.984 80 HB2 ALA 11 2HB PRG 11 -1.990 1.820 3.592 81 H PHE 12 H PHE 12 -3.742 0.447 0.662 82 HA PHE 12 HA PHE 12 -5.042 3.023 0.151 83 HB2 PHE 12 2HB PHE 12 -5.309 0.456 -1.440 84 HB3 PHE 12 1HB PHE 12 -6.192 1.939 -1.743 85 HD1 PHE 12 1HD PHE 12 -5.163 3.787 -2.884 86 HD2 PHE 12 2HD PHE 12 -2.914 0.288 -1.974 87 HE1 PHE 12 1HE PHE 12 -3.392 4.528 -4.409 88 HE2 PHE 12 2HE PHE 12 -1.137 1.029 -3.498 89 HZ PHE 12 HZ PHE 12 -1.373 3.151 -4.719 90 HA PRO 13 HA PRO 13 -7.838 1.380 3.154 91 HB2 PRO 13 2HB PRO 13 -9.950 3.053 2.727 92 HB3 PRO 13 1HB PRO 13 -8.494 3.502 3.617 93 HG2 PRO 13 2HG PRO 13 -9.255 4.116 0.796 94 HG3 PRO 13 1HG PRO 13 -8.435 5.136 1.985 95 HD2 PRO 13 2HD PRO 13 -7.132 3.851 -0.022 96 HD3 PRO 13 1HD PRO 13 -6.383 4.220 1.542 97 H ASN 14 H ASN 14 -8.260 0.832 -0.055 98 HA ASN 14 HA ASN 14 -10.884 -0.422 0.230 99 HB2 ASN 14 2HB ASN 14 -10.738 -0.966 -2.167 100 HB3 ASN 14 1HB ASN 14 -10.471 0.749 -1.901 101 HD21 ASN 14 1HD2 ASN 14 -9.105 -2.224 -2.993 102 HD22 ASN 14 2HD2 ASN 14 -7.646 -1.561 -3.633 103 H1 WMH 101 1HG AZH 3 -1.978 -2.281 3.912 104 H2 WMH 101 2HG AZH 3 -2.087 -1.396 2.457 105 H5 WMH 101 HD PRG 11 0.734 1.894 4.030 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -7.593 -1.018 1.063 2 HA2 GLY 1 2HA GLY 1 -7.219 -2.880 2.556 3 HA3 GLY 1 1HA GLY 1 -8.061 -3.906 1.405 4 H LYS 2 H LYS 2 -6.394 -2.171 -0.637 5 HA LYS 2 HA LYS 2 -4.363 -4.150 -0.962 6 HB2 LYS 2 2HB LYS 2 -5.009 -1.599 -2.423 7 HB3 LYS 2 1HB LYS 2 -3.603 -2.540 -2.850 8 HG2 LYS 2 2HG LYS 2 -6.443 -3.530 -2.920 9 HG3 LYS 2 1HG LYS 2 -5.524 -2.953 -4.309 10 HD2 LYS 2 2HD LYS 2 -3.858 -4.746 -3.903 11 HD3 LYS 2 1HD LYS 2 -4.869 -5.347 -2.590 12 HE2 LYS 2 2HE LYS 2 -5.704 -5.127 -5.482 13 HE3 LYS 2 1HE LYS 2 -5.194 -6.603 -4.670 14 HZ1 LYS 2 1HZ LYS 2 -7.599 -6.446 -4.775 15 HZ2 LYS 2 2HZ LYS 2 -7.588 -4.986 -3.957 16 HZ3 LYS 2 3HZ LYS 2 -7.092 -6.375 -3.173 17 H ALA 3 H AZH 3 -2.306 -4.110 -0.364 18 HA ALA 3 HA AZH 3 -1.167 -1.645 0.666 19 HB1 ALA 3 1HB AZH 3 -0.089 -3.367 2.428 20 HB2 ALA 3 2HB AZH 3 -1.644 -4.149 2.178 21 H LEU 4 H LEU 4 0.824 -1.273 0.134 22 HA LEU 4 HA LEU 4 2.283 -3.415 -1.222 23 HB2 LEU 4 2HB LEU 4 1.479 -1.654 -2.730 24 HB3 LEU 4 1HB LEU 4 2.313 -0.460 -1.746 25 HG LEU 4 HG LEU 4 4.472 -1.507 -2.368 26 HD11 LEU 4 1HD1 LEU 4 4.525 -3.080 -4.251 27 HD12 LEU 4 2HD1 LEU 4 2.766 -3.178 -4.203 28 HD13 LEU 4 3HD1 LEU 4 3.722 -3.751 -2.836 29 HD21 LEU 4 1HD2 LEU 4 4.512 -0.668 -4.671 30 HD22 LEU 4 2HD2 LEU 4 3.646 0.429 -3.594 31 HD23 LEU 4 3HD2 LEU 4 2.750 -0.630 -4.684 32 H PHE 5 H PHE 5 3.713 -4.033 0.131 33 HA PHE 5 HA PHE 5 4.918 -2.188 2.012 34 HB2 PHE 5 2HB PHE 5 5.244 -5.179 1.761 35 HB3 PHE 5 1HB PHE 5 6.003 -4.193 3.003 36 HD1 PHE 5 1HD PHE 5 2.990 -5.877 1.937 37 HD2 PHE 5 2HD PHE 5 4.585 -3.059 4.695 38 HE1 PHE 5 1HE PHE 5 1.004 -6.151 3.365 39 HE2 PHE 5 2HE PHE 5 2.609 -3.330 6.120 40 HZ PHE 5 HZ PHE 5 0.816 -4.877 5.459 41 H SER 6 H SER 6 5.999 -0.990 0.542 42 HA SER 6 HA SER 6 8.559 -2.085 -0.274 43 HB2 SER 6 2HB SER 6 6.759 -0.267 -1.913 44 HB3 SER 6 1HB SER 6 8.369 -0.807 -2.390 45 HG SER 6 HG SER 6 7.009 -2.936 -1.727 46 H ASN 7 H ASN 7 9.546 0.442 -1.195 47 HA ASN 7 HA ASN 7 9.119 1.977 1.212 48 HB2 ASN 7 2HB ASN 7 11.356 3.037 0.868 49 HB3 ASN 7 1HB ASN 7 11.449 1.306 1.110 50 HD21 ASN 7 1HD2 ASN 7 13.252 3.270 -0.149 51 HD22 ASN 7 2HD2 ASN 7 13.615 2.651 -1.708 52 HA PRO 8 HA PRO 8 8.292 3.407 2.057 53 HB2 PRO 8 2HB PRO 8 6.327 5.160 2.402 54 HB3 PRO 8 1HB PRO 8 7.982 5.717 2.134 55 HG2 PRO 8 2HG PRO 8 5.688 5.603 0.220 56 HG3 PRO 8 1HG PRO 8 6.912 6.866 0.423 57 HD2 PRO 8 2HD PRO 8 6.974 4.885 -1.518 58 HD3 PRO 8 1HD PRO 8 8.377 5.815 -0.972 59 HA PRO 9 HA PRO 9 4.838 0.559 1.843 60 HB2 PRO 9 2HB PRO 9 3.894 0.724 4.421 61 HB3 PRO 9 1HB PRO 9 5.306 -0.226 3.954 62 HG2 PRO 9 2HG PRO 9 5.172 2.492 5.185 63 HG3 PRO 9 1HG PRO 9 6.303 1.168 5.514 64 HD2 PRO 9 2HD PRO 9 6.967 3.299 3.997 65 HD3 PRO 9 1HD PRO 9 7.616 1.675 3.696 66 H ILE 10 H ILE 10 3.111 1.140 0.751 67 HA ILE 10 HA ILE 10 1.485 3.333 1.786 68 HB ILE 10 HB ILE 10 2.550 4.020 -0.293 69 HG12 ILE 10 2HG1 ILE 10 -0.369 3.376 -0.772 70 HG13 ILE 10 1HG1 ILE 10 0.234 4.767 0.117 71 HG21 ILE 10 1HG2 ILE 10 2.159 2.859 -2.423 72 HG22 ILE 10 2HG2 ILE 10 1.317 1.579 -1.555 73 HG23 ILE 10 3HG2 ILE 10 3.035 1.853 -1.264 74 HD11 ILE 10 1HD1 ILE 10 -0.455 5.360 -2.134 75 HD12 ILE 10 2HD1 ILE 10 0.701 4.207 -2.802 76 HD13 ILE 10 3HD1 ILE 10 1.275 5.618 -1.911 77 H ALA 11 H PRG 11 -0.622 2.947 2.117 78 HA ALA 11 HA PRG 11 -1.657 0.424 1.105 79 HB1 ALA 11 1HB PRG 11 -2.945 0.084 3.127 80 HB2 ALA 11 2HB PRG 11 -2.316 1.503 3.889 81 H PHE 12 H PHE 12 -3.716 0.377 0.555 82 HA PHE 12 HA PHE 12 -4.835 3.005 -0.045 83 HB2 PHE 12 2HB PHE 12 -5.262 0.366 -1.466 84 HB3 PHE 12 1HB PHE 12 -5.897 1.925 -1.967 85 HD1 PHE 12 1HD PHE 12 -4.359 3.646 -2.844 86 HD2 PHE 12 2HD PHE 12 -3.032 -0.294 -1.971 87 HE1 PHE 12 1HE PHE 12 -2.348 4.019 -4.219 88 HE2 PHE 12 2HE PHE 12 -1.027 0.066 -3.341 89 HZ PHE 12 HZ PHE 12 -0.681 2.221 -4.467 90 HA PRO 13 HA PRO 13 -8.198 2.149 2.708 91 HB2 PRO 13 2HB PRO 13 -10.218 3.440 1.367 92 HB3 PRO 13 1HB PRO 13 -9.007 4.249 2.365 93 HG2 PRO 13 2HG PRO 13 -9.056 3.859 -0.607 94 HG3 PRO 13 1HG PRO 13 -8.660 5.321 0.315 95 HD2 PRO 13 2HD PRO 13 -6.726 3.821 -0.712 96 HD3 PRO 13 1HD PRO 13 -6.552 4.514 0.913 97 H ASN 14 H ASN 14 -8.071 0.701 -0.302 98 HA ASN 14 HA ASN 14 -10.682 -0.623 -0.045 99 HB2 ASN 14 2HB ASN 14 -10.289 -1.545 -2.260 100 HB3 ASN 14 1HB ASN 14 -9.983 0.187 -2.304 101 HD21 ASN 14 1HD2 ASN 14 -9.008 -1.954 -4.057 102 HD22 ASN 14 2HD2 ASN 14 -7.302 -1.810 -4.024 103 H1 WMH 101 1HG AZH 3 -2.417 -2.605 3.844 104 H2 WMH 101 2HG AZH 3 -2.377 -1.614 2.452 105 H5 WMH 101 HD PRG 11 0.371 1.469 4.512 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -7.696 -1.090 0.679 2 HA2 GLY 1 2HA GLY 1 -7.763 -3.042 2.079 3 HA3 GLY 1 1HA GLY 1 -8.489 -3.917 0.743 4 H LYS 2 H LYS 2 -6.065 -2.025 -0.498 5 HA LYS 2 HA LYS 2 -4.302 -4.354 -0.492 6 HB2 LYS 2 2HB LYS 2 -4.504 -2.067 -2.452 7 HB3 LYS 2 1HB LYS 2 -3.283 -3.325 -2.534 8 HG2 LYS 2 2HG LYS 2 -6.260 -3.788 -2.719 9 HG3 LYS 2 1HG LYS 2 -5.158 -3.698 -4.093 10 HD2 LYS 2 2HD LYS 2 -3.927 -5.643 -3.217 11 HD3 LYS 2 1HD LYS 2 -5.039 -5.726 -1.853 12 HE2 LYS 2 2HE LYS 2 -5.832 -6.013 -4.750 13 HE3 LYS 2 1HE LYS 2 -5.570 -7.354 -3.639 14 HZ1 LYS 2 1HZ LYS 2 -7.387 -6.467 -2.259 15 HZ2 LYS 2 2HZ LYS 2 -7.882 -6.891 -3.788 16 HZ3 LYS 2 3HZ LYS 2 -7.699 -5.268 -3.407 17 H ALA 3 H AZH 3 -2.165 -4.185 -0.018 18 HA ALA 3 HA AZH 3 -1.231 -1.623 1.014 19 HB1 ALA 3 1HB AZH 3 0.134 -3.292 2.610 20 HB2 ALA 3 2HB AZH 3 -1.320 -4.255 2.375 21 H LEU 4 H LEU 4 0.692 -0.966 0.435 22 HA LEU 4 HA LEU 4 2.203 -2.749 -1.296 23 HB2 LEU 4 2HB LEU 4 1.553 -0.609 -2.243 24 HB3 LEU 4 1HB LEU 4 2.342 0.226 -0.909 25 HG LEU 4 HG LEU 4 4.504 -0.756 -1.686 26 HD11 LEU 4 1HD1 LEU 4 2.883 -1.561 -4.090 27 HD12 LEU 4 2HD1 LEU 4 3.682 -2.642 -2.946 28 HD13 LEU 4 3HD1 LEU 4 4.642 -1.590 -3.983 29 HD21 LEU 4 1HD2 LEU 4 4.788 0.804 -3.548 30 HD22 LEU 4 2HD2 LEU 4 3.906 1.537 -2.209 31 HD23 LEU 4 3HD2 LEU 4 3.038 0.998 -3.646 32 H PHE 5 H PHE 5 3.519 -3.822 -0.105 33 HA PHE 5 HA PHE 5 4.934 -2.467 2.054 34 HB2 PHE 5 2HB PHE 5 3.794 -4.761 2.402 35 HB3 PHE 5 1HB PHE 5 5.112 -5.421 1.440 36 HD1 PHE 5 1HD PHE 5 4.181 -3.879 4.621 37 HD2 PHE 5 2HD PHE 5 7.352 -5.546 2.340 38 HE1 PHE 5 1HE PHE 5 5.556 -4.011 6.646 39 HE2 PHE 5 2HE PHE 5 8.739 -5.683 4.372 40 HZ PHE 5 HZ PHE 5 7.839 -4.917 6.526 41 H SER 6 H SER 6 6.122 -1.249 0.721 42 HA SER 6 HA SER 6 8.598 -2.296 -0.227 43 HB2 SER 6 2HB SER 6 6.646 -0.913 -2.135 44 HB3 SER 6 1HB SER 6 8.319 -1.307 -2.506 45 HG SER 6 HG SER 6 6.939 -3.448 -1.614 46 H ASN 7 H ASN 7 9.416 0.128 -1.455 47 HA ASN 7 HA ASN 7 8.748 1.992 0.686 48 HB2 ASN 7 2HB ASN 7 10.884 3.144 0.330 49 HB3 ASN 7 1HB ASN 7 11.181 1.437 0.587 50 HD21 ASN 7 1HD2 ASN 7 11.904 0.209 -1.180 51 HD22 ASN 7 2HD2 ASN 7 12.604 0.940 -2.581 52 HA PRO 8 HA PRO 8 8.272 3.796 1.257 53 HB2 PRO 8 2HB PRO 8 6.233 5.511 1.465 54 HB3 PRO 8 1HB PRO 8 7.803 6.039 0.851 55 HG2 PRO 8 2HG PRO 8 5.288 5.453 -0.631 56 HG3 PRO 8 1HG PRO 8 6.515 6.688 -0.946 57 HD2 PRO 8 2HD PRO 8 6.288 4.225 -2.255 58 HD3 PRO 8 1HD PRO 8 7.707 5.281 -2.276 59 HA PRO 9 HA PRO 9 5.003 0.889 2.181 60 HB2 PRO 9 2HB PRO 9 4.795 1.336 4.891 61 HB3 PRO 9 1HB PRO 9 6.031 0.312 4.160 62 HG2 PRO 9 2HG PRO 9 6.223 3.108 5.150 63 HG3 PRO 9 1HG PRO 9 7.429 1.813 5.205 64 HD2 PRO 9 2HD PRO 9 7.494 3.874 3.410 65 HD3 PRO 9 1HD PRO 9 8.189 2.273 3.089 66 H ILE 10 H ILE 10 3.035 1.351 1.567 67 HA ILE 10 HA ILE 10 1.483 3.331 2.979 68 HB ILE 10 HB ILE 10 2.428 4.641 1.157 69 HG12 ILE 10 2HG1 ILE 10 -0.451 3.930 0.520 70 HG13 ILE 10 1HG1 ILE 10 0.070 5.084 1.738 71 HG21 ILE 10 1HG2 ILE 10 2.088 4.084 -1.210 72 HG22 ILE 10 2HG2 ILE 10 1.386 2.540 -0.729 73 HG23 ILE 10 3HG2 ILE 10 3.075 2.891 -0.363 74 HD11 ILE 10 1HD1 ILE 10 -0.705 6.200 -0.279 75 HD12 ILE 10 2HD1 ILE 10 0.499 5.336 -1.234 76 HD13 ILE 10 3HD1 ILE 10 1.012 6.505 -0.015 77 H ALA 11 H PRG 11 -0.678 2.814 3.038 78 HA ALA 11 HA PRG 11 -1.419 0.373 1.630 79 HB1 ALA 11 1HB PRG 11 -2.903 -0.177 3.488 80 HB2 ALA 11 2HB PRG 11 -2.395 1.199 4.403 81 H PHE 12 H PHE 12 -3.627 0.249 1.004 82 HA PHE 12 HA PHE 12 -4.618 2.934 0.481 83 HB2 PHE 12 2HB PHE 12 -4.765 0.523 -1.341 84 HB3 PHE 12 1HB PHE 12 -5.346 2.142 -1.713 85 HD1 PHE 12 1HD PHE 12 -3.718 3.998 -2.004 86 HD2 PHE 12 2HD PHE 12 -2.477 -0.047 -1.558 87 HE1 PHE 12 1HE PHE 12 -1.497 4.586 -2.876 88 HE2 PHE 12 2HE PHE 12 -0.253 0.535 -2.434 89 HZ PHE 12 HZ PHE 12 0.236 2.865 -3.092 90 HA PRO 13 HA PRO 13 -8.376 1.771 2.528 91 HB2 PRO 13 2HB PRO 13 -9.738 3.436 0.494 92 HB3 PRO 13 1HB PRO 13 -9.771 3.565 2.256 93 HG2 PRO 13 2HG PRO 13 -8.394 5.305 0.809 94 HG3 PRO 13 1HG PRO 13 -7.744 4.688 2.338 95 HD2 PRO 13 2HD PRO 13 -7.028 3.934 -0.465 96 HD3 PRO 13 1HD PRO 13 -5.993 4.182 0.958 97 H ASN 14 H ASN 14 -7.819 0.903 -0.699 98 HA ASN 14 HA ASN 14 -10.387 -0.373 -1.100 99 HB2 ASN 14 2HB ASN 14 -9.524 -1.174 -3.213 100 HB3 ASN 14 1HB ASN 14 -9.120 0.523 -3.062 101 HD21 ASN 14 1HD2 ASN 14 -7.919 -1.396 -4.782 102 HD22 ASN 14 2HD2 ASN 14 -6.256 -1.498 -4.352 103 H1 WMH 101 1HG AZH 3 -2.300 -2.908 4.080 104 H2 WMH 101 2HG AZH 3 -2.259 -1.779 2.810 105 H5 WMH 101 HD PRG 11 0.209 1.227 5.285 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -7.436 -1.024 0.873 2 HA2 GLY 1 2HA GLY 1 -7.119 -2.855 2.488 3 HA3 GLY 1 1HA GLY 1 -7.965 -3.883 1.346 4 H LYS 2 H LYS 2 -6.305 -2.100 -0.669 5 HA LYS 2 HA LYS 2 -4.293 -4.080 -1.109 6 HB2 LYS 2 2HB LYS 2 -5.355 -2.986 -2.987 7 HB3 LYS 2 1HB LYS 2 -4.849 -1.412 -2.419 8 HG2 LYS 2 2HG LYS 2 -3.506 -2.082 -4.293 9 HG3 LYS 2 1HG LYS 2 -2.508 -2.039 -2.843 10 HD2 LYS 2 2HD LYS 2 -2.654 -4.453 -2.646 11 HD3 LYS 2 1HD LYS 2 -3.727 -4.524 -4.046 12 HE2 LYS 2 2HE LYS 2 -0.876 -3.537 -4.043 13 HE3 LYS 2 1HE LYS 2 -1.420 -5.100 -4.641 14 HZ1 LYS 2 1HZ LYS 2 -2.769 -3.924 -6.300 15 HZ2 LYS 2 2HZ LYS 2 -1.144 -3.542 -6.460 16 HZ3 LYS 2 3HZ LYS 2 -2.189 -2.445 -5.744 17 H ALA 3 H AZH 3 -2.274 -4.110 -0.314 18 HA ALA 3 HA AZH 3 -1.131 -1.610 0.659 19 HB1 ALA 3 1HB AZH 3 -0.023 -3.319 2.403 20 HB2 ALA 3 2HB AZH 3 -1.563 -4.129 2.141 21 H LEU 4 H LEU 4 0.849 -1.152 0.106 22 HA LEU 4 HA LEU 4 2.384 -3.212 -1.295 23 HB2 LEU 4 2HB LEU 4 2.632 -0.204 -1.381 24 HB3 LEU 4 1HB LEU 4 3.664 -1.326 -2.237 25 HG LEU 4 HG LEU 4 0.735 -0.881 -2.713 26 HD11 LEU 4 1HD1 LEU 4 3.163 -0.132 -4.327 27 HD12 LEU 4 2HD1 LEU 4 2.079 0.973 -3.484 28 HD13 LEU 4 3HD1 LEU 4 1.495 0.050 -4.867 29 HD21 LEU 4 1HD2 LEU 4 1.321 -3.198 -3.170 30 HD22 LEU 4 2HD2 LEU 4 2.693 -2.679 -4.146 31 HD23 LEU 4 3HD2 LEU 4 1.051 -2.338 -4.686 32 H PHE 5 H PHE 5 3.713 -4.115 0.112 33 HA PHE 5 HA PHE 5 4.898 -2.478 2.176 34 HB2 PHE 5 2HB PHE 5 5.202 -5.438 1.602 35 HB3 PHE 5 1HB PHE 5 5.935 -4.598 2.967 36 HD1 PHE 5 1HD PHE 5 4.513 -3.674 4.751 37 HD2 PHE 5 2HD PHE 5 2.902 -6.059 1.620 38 HE1 PHE 5 1HE PHE 5 2.480 -4.033 6.074 39 HE2 PHE 5 2HE PHE 5 0.864 -6.419 2.937 40 HZ PHE 5 HZ PHE 5 0.651 -5.404 5.171 41 H SER 6 H SER 6 5.912 -1.138 0.846 42 HA SER 6 HA SER 6 8.353 -2.079 -0.418 43 HB2 SER 6 2HB SER 6 6.196 -0.272 -1.553 44 HB3 SER 6 1HB SER 6 7.764 -0.552 -2.326 45 HG SER 6 HG SER 6 6.624 -2.069 -3.241 46 H ASN 7 H ASN 7 9.033 0.615 -1.306 47 HA ASN 7 HA ASN 7 9.059 2.063 1.234 48 HB2 ASN 7 2HB ASN 7 11.315 1.189 0.829 49 HB3 ASN 7 1HB ASN 7 11.300 1.868 -0.794 50 HD21 ASN 7 1HD2 ASN 7 11.586 2.586 2.607 51 HD22 ASN 7 2HD2 ASN 7 12.181 4.193 2.403 52 HA PRO 8 HA PRO 8 8.057 3.473 2.013 53 HB2 PRO 8 2HB PRO 8 5.933 5.054 2.244 54 HB3 PRO 8 1HB PRO 8 7.548 5.750 2.051 55 HG2 PRO 8 2HG PRO 8 5.389 5.382 0.012 56 HG3 PRO 8 1HG PRO 8 6.441 6.782 0.277 57 HD2 PRO 8 2HD PRO 8 6.872 4.854 -1.644 58 HD3 PRO 8 1HD PRO 8 8.143 5.878 -0.953 59 HA PRO 9 HA PRO 9 4.774 0.470 1.570 60 HB2 PRO 9 2HB PRO 9 4.015 0.197 4.156 61 HB3 PRO 9 1HB PRO 9 5.521 -0.483 3.533 62 HG2 PRO 9 2HG PRO 9 5.087 2.040 5.086 63 HG3 PRO 9 1HG PRO 9 6.383 0.844 5.244 64 HD2 PRO 9 2HD PRO 9 6.691 3.203 3.928 65 HD3 PRO 9 1HD PRO 9 7.581 1.730 3.509 66 H ILE 10 H ILE 10 3.297 1.668 0.444 67 HA ILE 10 HA ILE 10 1.512 3.416 1.919 68 HB ILE 10 HB ILE 10 2.408 4.403 -0.096 69 HG12 ILE 10 2HG1 ILE 10 -0.481 3.632 -0.601 70 HG13 ILE 10 1HG1 ILE 10 0.046 4.938 0.448 71 HG21 ILE 10 1HG2 ILE 10 3.019 2.435 -1.336 72 HG22 ILE 10 2HG2 ILE 10 2.014 3.479 -2.341 73 HG23 ILE 10 3HG2 ILE 10 1.321 2.038 -1.599 74 HD11 ILE 10 1HD1 ILE 10 0.467 4.774 -2.531 75 HD12 ILE 10 2HD1 ILE 10 1.000 6.095 -1.491 76 HD13 ILE 10 3HD1 ILE 10 -0.722 5.777 -1.700 77 H ALA 11 H PRG 11 -0.560 2.955 2.303 78 HA ALA 11 HA PRG 11 -1.566 0.483 1.140 79 HB1 ALA 11 1HB PRG 11 -2.913 0.093 3.125 80 HB2 ALA 11 2HB PRG 11 -2.299 1.495 3.929 81 H PHE 12 H PHE 12 -3.569 0.416 0.465 82 HA PHE 12 HA PHE 12 -4.784 3.015 -0.068 83 HB2 PHE 12 2HB PHE 12 -5.041 0.364 -1.520 84 HB3 PHE 12 1HB PHE 12 -5.857 1.847 -1.989 85 HD1 PHE 12 1HD PHE 12 -2.521 0.259 -1.653 86 HD2 PHE 12 2HD PHE 12 -4.760 3.473 -3.316 87 HE1 PHE 12 1HE PHE 12 -0.580 0.893 -3.024 88 HE2 PHE 12 2HE PHE 12 -2.820 4.110 -4.690 89 HZ PHE 12 HZ PHE 12 -0.727 2.823 -4.543 90 HA PRO 13 HA PRO 13 -7.963 2.070 2.753 91 HB2 PRO 13 2HB PRO 13 -10.107 3.290 1.524 92 HB3 PRO 13 1HB PRO 13 -8.888 4.118 2.497 93 HG2 PRO 13 2HG PRO 13 -9.084 3.839 -0.465 94 HG3 PRO 13 1HG PRO 13 -8.620 5.257 0.496 95 HD2 PRO 13 2HD PRO 13 -6.791 3.743 -0.748 96 HD3 PRO 13 1HD PRO 13 -6.465 4.462 0.844 97 H ASN 14 H ASN 14 -8.211 0.845 -0.460 98 HA ASN 14 HA ASN 14 -10.669 -0.572 0.100 99 HB2 ASN 14 2HB ASN 14 -10.522 -1.556 -2.081 100 HB3 ASN 14 1HB ASN 14 -10.093 0.139 -2.238 101 HD21 ASN 14 1HD2 ASN 14 -9.511 -2.182 -3.909 102 HD22 ASN 14 2HD2 ASN 14 -7.804 -2.240 -4.089 103 H1 WMH 101 1HG AZH 3 -2.400 -2.602 3.779 104 H2 WMH 101 2HG AZH 3 -2.310 -1.582 2.413 105 H5 WMH 101 HD PRG 11 0.358 1.436 4.665 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -7.462 -1.131 1.004 2 HA2 GLY 1 2HA GLY 1 -7.123 -3.098 2.449 3 HA3 GLY 1 1HA GLY 1 -7.968 -4.022 1.223 4 H LYS 2 H LYS 2 -6.248 -2.055 -0.621 5 HA LYS 2 HA LYS 2 -4.220 -4.081 -0.957 6 HB2 LYS 2 2HB LYS 2 -5.513 -3.054 -2.872 7 HB3 LYS 2 1HB LYS 2 -4.654 -1.558 -2.588 8 HG2 LYS 2 2HG LYS 2 -3.309 -4.164 -3.336 9 HG3 LYS 2 1HG LYS 2 -3.814 -2.957 -4.508 10 HD2 LYS 2 2HD LYS 2 -2.289 -1.328 -3.432 11 HD3 LYS 2 1HD LYS 2 -1.779 -2.580 -2.300 12 HE2 LYS 2 2HE LYS 2 -0.144 -2.393 -4.071 13 HE3 LYS 2 1HE LYS 2 -1.000 -3.927 -4.206 14 HZ1 LYS 2 1HZ LYS 2 -0.712 -2.768 -6.361 15 HZ2 LYS 2 2HZ LYS 2 -1.686 -1.513 -5.786 16 HZ3 LYS 2 3HZ LYS 2 -2.325 -3.047 -5.975 17 H ALA 3 H AZH 3 -2.315 -3.987 -0.095 18 HA ALA 3 HA AZH 3 -1.091 -1.407 0.505 19 HB1 ALA 3 1HB AZH 3 0.117 -2.943 2.347 20 HB2 ALA 3 2HB AZH 3 -1.440 -3.755 2.278 21 H LEU 4 H LEU 4 0.805 -1.081 -0.193 22 HA LEU 4 HA LEU 4 2.248 -3.247 -1.519 23 HB2 LEU 4 2HB LEU 4 1.595 -1.288 -2.877 24 HB3 LEU 4 1HB LEU 4 2.472 -0.256 -1.761 25 HG LEU 4 HG LEU 4 4.581 -1.349 -2.436 26 HD11 LEU 4 1HD1 LEU 4 4.602 -2.770 -4.436 27 HD12 LEU 4 2HD1 LEU 4 2.837 -2.773 -4.434 28 HD13 LEU 4 3HD1 LEU 4 3.721 -3.508 -3.099 29 HD21 LEU 4 1HD2 LEU 4 4.710 -0.330 -4.661 30 HD22 LEU 4 2HD2 LEU 4 3.867 0.713 -3.517 31 HD23 LEU 4 3HD2 LEU 4 2.952 -0.212 -4.705 32 H PHE 5 H PHE 5 3.666 -4.027 -0.237 33 HA PHE 5 HA PHE 5 4.724 -2.488 1.983 34 HB2 PHE 5 2HB PHE 5 5.107 -5.407 1.297 35 HB3 PHE 5 1HB PHE 5 5.601 -4.620 2.791 36 HD1 PHE 5 1HD PHE 5 3.955 -3.946 4.441 37 HD2 PHE 5 2HD PHE 5 2.793 -5.982 0.900 38 HE1 PHE 5 1HE PHE 5 1.766 -4.459 5.450 39 HE2 PHE 5 2HE PHE 5 0.608 -6.490 1.897 40 HZ PHE 5 HZ PHE 5 0.093 -5.728 4.177 41 H SER 6 H SER 6 6.209 -1.162 1.254 42 HA SER 6 HA SER 6 8.719 -2.174 0.298 43 HB2 SER 6 2HB SER 6 7.097 -0.191 -1.355 44 HB3 SER 6 1HB SER 6 8.734 -0.736 -1.710 45 HG SER 6 HG SER 6 7.201 -2.864 -1.405 46 H ASN 7 H ASN 7 9.865 0.274 -0.326 47 HA ASN 7 HA ASN 7 9.185 2.005 1.926 48 HB2 ASN 7 2HB ASN 7 11.875 1.548 0.592 49 HB3 ASN 7 1HB ASN 7 11.569 2.833 1.748 50 HD21 ASN 7 1HD2 ASN 7 11.328 2.306 3.925 51 HD22 ASN 7 2HD2 ASN 7 11.776 0.768 4.550 52 HA PRO 8 HA PRO 8 8.122 3.545 2.262 53 HB2 PRO 8 2HB PRO 8 6.138 5.267 1.782 54 HB3 PRO 8 1HB PRO 8 7.802 5.835 1.967 55 HG2 PRO 8 2HG PRO 8 6.193 5.447 -0.515 56 HG3 PRO 8 1HG PRO 8 7.337 6.738 -0.112 57 HD2 PRO 8 2HD PRO 8 7.913 4.522 -1.687 58 HD3 PRO 8 1HD PRO 8 9.115 5.541 -0.877 59 HA PRO 9 HA PRO 9 4.801 0.748 1.283 60 HB2 PRO 9 2HB PRO 9 3.434 0.718 3.636 61 HB3 PRO 9 1HB PRO 9 4.994 -0.078 3.426 62 HG2 PRO 9 2HG PRO 9 4.331 2.430 4.829 63 HG3 PRO 9 1HG PRO 9 5.662 1.302 5.117 64 HD2 PRO 9 2HD PRO 9 5.795 3.772 3.751 65 HD3 PRO 9 1HD PRO 9 7.056 2.538 3.814 66 H ILE 10 H ILE 10 3.017 1.012 0.189 67 HA ILE 10 HA ILE 10 1.486 3.500 0.561 68 HB ILE 10 HB ILE 10 1.780 1.790 -1.927 69 HG12 ILE 10 2HG1 ILE 10 3.859 2.976 -1.474 70 HG13 ILE 10 1HG1 ILE 10 3.057 3.697 -2.862 71 HG21 ILE 10 1HG2 ILE 10 0.388 4.430 -1.576 72 HG22 ILE 10 2HG2 ILE 10 -0.389 2.867 -1.827 73 HG23 ILE 10 3HG2 ILE 10 0.604 3.572 -3.102 74 HD11 ILE 10 1HD1 ILE 10 4.011 5.406 -1.438 75 HD12 ILE 10 2HD1 ILE 10 3.113 4.794 -0.052 76 HD13 ILE 10 3HD1 ILE 10 2.250 5.517 -1.410 77 H ALA 11 H PRG 11 -0.594 3.240 1.257 78 HA ALA 11 HA PRG 11 -1.801 0.637 0.766 79 HB1 ALA 11 1HB PRG 11 -2.774 0.514 2.960 80 HB2 ALA 11 2HB PRG 11 -2.104 2.017 3.478 81 H PHE 12 H PHE 12 -3.935 0.575 0.551 82 HA PHE 12 HA PHE 12 -5.285 3.158 0.215 83 HB2 PHE 12 2HB PHE 12 -5.694 0.617 -1.397 84 HB3 PHE 12 1HB PHE 12 -6.536 2.139 -1.638 85 HD1 PHE 12 1HD PHE 12 -3.530 0.242 -2.277 86 HD2 PHE 12 2HD PHE 12 -5.314 4.085 -2.563 87 HE1 PHE 12 1HE PHE 12 -1.794 0.921 -3.876 88 HE2 PHE 12 2HE PHE 12 -3.576 4.774 -4.158 89 HZ PHE 12 HZ PHE 12 -1.813 3.190 -4.820 90 HA PRO 13 HA PRO 13 -8.041 1.580 3.311 91 HB2 PRO 13 2HB PRO 13 -10.369 2.842 2.565 92 HB3 PRO 13 1HB PRO 13 -9.062 3.627 3.457 93 HG2 PRO 13 2HG PRO 13 -9.666 3.695 0.529 94 HG3 PRO 13 1HG PRO 13 -9.167 5.016 1.603 95 HD2 PRO 13 2HD PRO 13 -7.430 3.826 -0.055 96 HD3 PRO 13 1HD PRO 13 -6.938 4.375 1.560 97 H ASN 14 H ASN 14 -8.447 0.948 0.038 98 HA ASN 14 HA ASN 14 -10.767 -0.695 0.267 99 HB2 ASN 14 2HB ASN 14 -10.269 -1.436 -2.061 100 HB3 ASN 14 1HB ASN 14 -10.347 0.310 -1.898 101 HD21 ASN 14 1HD2 ASN 14 -9.160 0.655 -3.742 102 HD22 ASN 14 2HD2 ASN 14 -7.464 0.357 -3.847 103 H1 WMH 101 1HG AZH 3 -2.089 -2.079 3.850 104 H2 WMH 101 2HG AZH 3 -2.202 -1.222 2.369 105 H5 WMH 101 HD PRG 11 0.604 2.101 3.924 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -7.404 -1.206 1.171 2 HA2 GLY 1 2HA GLY 1 -6.569 -3.118 2.409 3 HA3 GLY 1 1HA GLY 1 -7.537 -4.144 1.357 4 H LYS 2 H LYS 2 -6.279 -1.744 -0.506 5 HA LYS 2 HA LYS 2 -4.361 -3.547 -1.656 6 HB2 LYS 2 2HB LYS 2 -5.740 -2.061 -3.091 7 HB3 LYS 2 1HB LYS 2 -4.945 -0.668 -2.378 8 HG2 LYS 2 2HG LYS 2 -2.827 -1.329 -3.313 9 HG3 LYS 2 1HG LYS 2 -3.535 -2.819 -3.935 10 HD2 LYS 2 2HD LYS 2 -5.040 -1.490 -5.349 11 HD3 LYS 2 1HD LYS 2 -4.272 -0.017 -4.749 12 HE2 LYS 2 2HE LYS 2 -2.821 -2.238 -6.174 13 HE3 LYS 2 1HE LYS 2 -3.433 -0.791 -6.964 14 HZ1 LYS 2 1HZ LYS 2 -1.056 -0.689 -6.383 15 HZ2 LYS 2 2HZ LYS 2 -1.438 -0.701 -4.732 16 HZ3 LYS 2 3HZ LYS 2 -1.960 0.550 -5.734 17 H ALA 3 H AZH 3 -2.332 -3.723 -1.015 18 HA ALA 3 HA AZH 3 -0.959 -1.440 0.089 19 HB1 ALA 3 1HB AZH 3 -0.148 -3.228 1.890 20 HB2 ALA 3 2HB AZH 3 -1.791 -3.805 1.626 21 H LEU 4 H LEU 4 1.179 -1.526 0.151 22 HA LEU 4 HA LEU 4 2.510 -3.718 -1.257 23 HB2 LEU 4 2HB LEU 4 3.239 -0.780 -1.224 24 HB3 LEU 4 1HB LEU 4 4.135 -2.043 -2.030 25 HG LEU 4 HG LEU 4 1.393 -1.043 -2.779 26 HD11 LEU 4 1HD1 LEU 4 4.069 -0.767 -4.137 27 HD12 LEU 4 2HD1 LEU 4 3.182 0.515 -3.314 28 HD13 LEU 4 3HD1 LEU 4 2.525 -0.209 -4.781 29 HD21 LEU 4 1HD2 LEU 4 1.592 -2.496 -4.732 30 HD22 LEU 4 2HD2 LEU 4 1.627 -3.436 -3.242 31 HD23 LEU 4 3HD2 LEU 4 3.125 -3.118 -4.121 32 H PHE 5 H PHE 5 4.436 -4.335 -0.290 33 HA PHE 5 HA PHE 5 4.839 -3.329 2.419 34 HB2 PHE 5 2HB PHE 5 6.250 -5.416 2.703 35 HB3 PHE 5 1HB PHE 5 4.545 -5.715 2.403 36 HD1 PHE 5 1HD PHE 5 3.817 -6.708 0.334 37 HD2 PHE 5 2HD PHE 5 7.923 -5.982 1.089 38 HE1 PHE 5 1HE PHE 5 4.412 -8.193 -1.544 39 HE2 PHE 5 2HE PHE 5 8.540 -7.457 -0.774 40 HZ PHE 5 HZ PHE 5 6.786 -8.564 -2.099 41 H SER 6 H SER 6 5.623 -2.196 -0.185 42 HA SER 6 HA SER 6 8.465 -2.137 -0.326 43 HB2 SER 6 2HB SER 6 6.410 -0.237 -1.443 44 HB3 SER 6 1HB SER 6 8.077 -0.421 -1.990 45 HG SER 6 HG SER 6 6.984 -2.810 -2.067 46 H ASN 7 H ASN 7 9.453 0.151 -0.310 47 HA ASN 7 HA ASN 7 8.474 1.794 1.901 48 HB2 ASN 7 2HB ASN 7 10.442 0.459 2.663 49 HB3 ASN 7 1HB ASN 7 11.353 1.067 1.290 50 HD21 ASN 7 1HD2 ASN 7 12.909 1.924 2.686 51 HD22 ASN 7 2HD2 ASN 7 12.612 3.383 3.572 52 HA PRO 8 HA PRO 8 8.087 3.835 2.358 53 HB2 PRO 8 2HB PRO 8 6.289 5.618 1.422 54 HB3 PRO 8 1HB PRO 8 7.949 6.081 1.814 55 HG2 PRO 8 2HG PRO 8 6.761 5.414 -0.853 56 HG3 PRO 8 1HG PRO 8 7.795 6.785 -0.401 57 HD2 PRO 8 2HD PRO 8 8.792 4.606 -1.623 58 HD3 PRO 8 1HD PRO 8 9.719 5.496 -0.399 59 HA PRO 9 HA PRO 9 4.629 1.150 1.440 60 HB2 PRO 9 2HB PRO 9 3.277 1.370 3.781 61 HB3 PRO 9 1HB PRO 9 4.776 0.446 3.642 62 HG2 PRO 9 2HG PRO 9 4.340 3.195 4.720 63 HG3 PRO 9 1HG PRO 9 5.397 1.909 5.325 64 HD2 PRO 9 2HD PRO 9 6.272 4.033 3.830 65 HD3 PRO 9 1HD PRO 9 7.083 2.454 3.874 66 H ILE 10 H ILE 10 2.908 1.614 0.241 67 HA ILE 10 HA ILE 10 1.276 3.914 0.944 68 HB ILE 10 HB ILE 10 2.522 4.630 -0.986 69 HG12 ILE 10 2HG1 ILE 10 0.749 4.963 -2.716 70 HG13 ILE 10 1HG1 ILE 10 -0.255 3.797 -1.864 71 HG21 ILE 10 1HG2 ILE 10 1.718 2.087 -2.336 72 HG22 ILE 10 2HG2 ILE 10 3.335 2.541 -1.798 73 HG23 ILE 10 3HG2 ILE 10 2.563 3.425 -3.120 74 HD11 ILE 10 1HD1 ILE 10 0.718 6.423 -0.757 75 HD12 ILE 10 2HD1 ILE 10 -0.322 5.268 0.079 76 HD13 ILE 10 3HD1 ILE 10 -0.902 6.091 -1.367 77 H ALA 11 H PRG 11 -0.671 3.359 1.416 78 HA ALA 11 HA PRG 11 -1.772 0.845 0.365 79 HB1 ALA 11 1HB PRG 11 -2.811 0.450 2.499 80 HB2 ALA 11 2HB PRG 11 -2.110 1.872 3.196 81 H PHE 12 H PHE 12 -3.976 0.759 0.232 82 HA PHE 12 HA PHE 12 -5.378 3.318 0.323 83 HB2 PHE 12 2HB PHE 12 -5.741 1.039 -1.656 84 HB3 PHE 12 1HB PHE 12 -6.796 2.437 -1.555 85 HD1 PHE 12 1HD PHE 12 -3.383 1.319 -2.434 86 HD2 PHE 12 2HD PHE 12 -6.183 4.522 -2.513 87 HE1 PHE 12 1HE PHE 12 -1.924 2.559 -3.988 88 HE2 PHE 12 2HE PHE 12 -4.721 5.757 -4.065 89 HZ PHE 12 HZ PHE 12 -2.597 4.778 -4.796 90 HA PRO 13 HA PRO 13 -7.897 1.549 3.488 91 HB2 PRO 13 2HB PRO 13 -10.184 2.794 2.043 92 HB3 PRO 13 1HB PRO 13 -9.724 2.922 3.746 93 HG2 PRO 13 2HG PRO 13 -9.205 4.922 2.115 94 HG3 PRO 13 1HG PRO 13 -7.987 4.407 3.296 95 HD2 PRO 13 2HD PRO 13 -8.109 3.885 0.352 96 HD3 PRO 13 1HD PRO 13 -6.719 4.287 1.388 97 H ASN 14 H ASN 14 -8.607 0.754 0.217 98 HA ASN 14 HA ASN 14 -10.761 -1.076 0.785 99 HB2 ASN 14 2HB ASN 14 -10.680 -1.698 -1.524 100 HB3 ASN 14 1HB ASN 14 -10.407 0.038 -1.457 101 HD21 ASN 14 1HD2 ASN 14 -9.065 -3.032 -2.217 102 HD22 ASN 14 2HD2 ASN 14 -7.629 -2.473 -2.973 103 H1 WMH 101 1HG AZH 3 -2.242 -2.170 3.285 104 H2 WMH 101 2HG AZH 3 -2.314 -1.289 1.812 105 H5 WMH 101 HD PRG 11 0.689 1.851 3.415 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -7.595 -1.009 0.741 2 HA2 GLY 1 2HA GLY 1 -7.316 -2.951 2.180 3 HA3 GLY 1 1HA GLY 1 -8.190 -3.887 0.974 4 H LYS 2 H LYS 2 -6.129 -1.772 -0.551 5 HA LYS 2 HA LYS 2 -4.281 -3.941 -1.050 6 HB2 LYS 2 2HB LYS 2 -4.752 -1.330 -2.457 7 HB3 LYS 2 1HB LYS 2 -3.399 -2.363 -2.863 8 HG2 LYS 2 2HG LYS 2 -6.311 -3.110 -3.031 9 HG3 LYS 2 1HG LYS 2 -5.269 -2.677 -4.384 10 HD2 LYS 2 2HD LYS 2 -4.863 -5.068 -2.561 11 HD3 LYS 2 1HD LYS 2 -5.580 -5.114 -4.159 12 HE2 LYS 2 2HE LYS 2 -2.762 -4.196 -3.563 13 HE3 LYS 2 1HE LYS 2 -3.209 -5.790 -4.150 14 HZ1 LYS 2 1HZ LYS 2 -3.712 -3.246 -5.625 15 HZ2 LYS 2 2HZ LYS 2 -4.041 -4.793 -6.185 16 HZ3 LYS 2 3HZ LYS 2 -2.458 -4.322 -5.921 17 H ALA 3 H AZH 3 -2.337 -4.057 -0.332 18 HA ALA 3 HA AZH 3 -1.075 -1.697 0.805 19 HB1 ALA 3 1HB AZH 3 -0.187 -3.569 2.500 20 HB2 ALA 3 2HB AZH 3 -1.763 -4.262 2.127 21 H LEU 4 H LEU 4 0.986 -1.481 0.277 22 HA LEU 4 HA LEU 4 2.220 -3.775 -0.995 23 HB2 LEU 4 2HB LEU 4 3.521 -2.183 -2.407 24 HB3 LEU 4 1HB LEU 4 1.809 -2.179 -2.733 25 HG LEU 4 HG LEU 4 1.763 -0.043 -1.248 26 HD11 LEU 4 1HD1 LEU 4 4.687 -0.083 -1.964 27 HD12 LEU 4 2HD1 LEU 4 4.007 -0.197 -0.341 28 HD13 LEU 4 3HD1 LEU 4 3.808 1.284 -1.279 29 HD21 LEU 4 1HD2 LEU 4 1.322 -0.056 -3.637 30 HD22 LEU 4 2HD2 LEU 4 3.052 -0.025 -3.970 31 HD23 LEU 4 3HD2 LEU 4 2.283 1.354 -3.187 32 H PHE 5 H PHE 5 4.187 -4.360 -0.370 33 HA PHE 5 HA PHE 5 5.213 -2.839 1.869 34 HB2 PHE 5 2HB PHE 5 5.399 -5.818 1.383 35 HB3 PHE 5 1HB PHE 5 6.223 -4.968 2.692 36 HD1 PHE 5 1HD PHE 5 3.191 -6.550 1.682 37 HD2 PHE 5 2HD PHE 5 4.784 -3.594 4.293 38 HE1 PHE 5 1HE PHE 5 1.155 -6.654 3.042 39 HE2 PHE 5 2HE PHE 5 2.759 -3.705 5.668 40 HZ PHE 5 HZ PHE 5 0.933 -5.229 5.039 41 H SER 6 H SER 6 6.328 -1.529 0.812 42 HA SER 6 HA SER 6 8.966 -2.224 0.031 43 HB2 SER 6 2HB SER 6 7.056 -0.906 -1.962 44 HB3 SER 6 1HB SER 6 8.784 -1.147 -2.212 45 HG SER 6 HG SER 6 7.638 -3.459 -1.546 46 H ASN 7 H ASN 7 9.539 0.384 -0.990 47 HA ASN 7 HA ASN 7 8.366 2.094 1.054 48 HB2 ASN 7 2HB ASN 7 10.598 1.514 1.833 49 HB3 ASN 7 1HB ASN 7 11.292 1.968 0.279 50 HD21 ASN 7 1HD2 ASN 7 11.688 4.095 -0.147 51 HD22 ASN 7 2HD2 ASN 7 11.474 5.353 1.023 52 HA PRO 8 HA PRO 8 8.072 4.165 1.554 53 HB2 PRO 8 2HB PRO 8 5.840 5.732 0.507 54 HB3 PRO 8 1HB PRO 8 7.218 6.277 1.464 55 HG2 PRO 8 2HG PRO 8 6.918 6.958 -1.133 56 HG3 PRO 8 1HG PRO 8 8.513 6.700 -0.404 57 HD2 PRO 8 2HD PRO 8 6.875 4.824 -2.079 58 HD3 PRO 8 1HD PRO 8 8.604 5.218 -2.207 59 HA PRO 9 HA PRO 9 4.834 1.075 1.618 60 HB2 PRO 9 2HB PRO 9 4.444 1.000 4.312 61 HB3 PRO 9 1HB PRO 9 5.799 0.201 3.510 62 HG2 PRO 9 2HG PRO 9 5.729 2.767 5.019 63 HG3 PRO 9 1HG PRO 9 7.010 1.550 4.944 64 HD2 PRO 9 2HD PRO 9 7.043 3.920 3.548 65 HD3 PRO 9 1HD PRO 9 7.926 2.462 3.059 66 H ILE 10 H ILE 10 2.869 1.632 0.977 67 HA ILE 10 HA ILE 10 1.315 3.418 2.652 68 HB ILE 10 HB ILE 10 2.106 4.811 0.820 69 HG12 ILE 10 2HG1 ILE 10 -0.792 4.045 0.360 70 HG13 ILE 10 1HG1 ILE 10 -0.217 5.167 1.583 71 HG21 ILE 10 1HG2 ILE 10 2.690 3.141 -0.806 72 HG22 ILE 10 2HG2 ILE 10 1.603 4.323 -1.536 73 HG23 ILE 10 3HG2 ILE 10 0.990 2.740 -1.057 74 HD11 ILE 10 1HD1 ILE 10 -0.013 5.540 -1.402 75 HD12 ILE 10 2HD1 ILE 10 0.562 6.677 -0.181 76 HD13 ILE 10 3HD1 ILE 10 -1.162 6.337 -0.326 77 H ALA 11 H PRG 11 -0.784 2.826 2.886 78 HA ALA 11 HA PRG 11 -1.614 0.466 1.402 79 HB1 ALA 11 1HB PRG 11 -3.029 -0.113 3.311 80 HB2 ALA 11 2HB PRG 11 -2.438 1.232 4.235 81 H PHE 12 H PHE 12 -3.707 0.404 0.750 82 HA PHE 12 HA PHE 12 -4.822 3.067 0.395 83 HB2 PHE 12 2HB PHE 12 -5.062 0.644 -1.405 84 HB3 PHE 12 1HB PHE 12 -5.729 2.240 -1.728 85 HD1 PHE 12 1HD PHE 12 -2.679 0.214 -1.630 86 HD2 PHE 12 2HD PHE 12 -4.283 4.082 -2.404 87 HE1 PHE 12 1HE PHE 12 -0.576 0.860 -2.722 88 HE2 PHE 12 2HE PHE 12 -2.178 4.733 -3.497 89 HZ PHE 12 HZ PHE 12 -0.322 3.126 -3.656 90 HA PRO 13 HA PRO 13 -8.335 1.858 2.806 91 HB2 PRO 13 2HB PRO 13 -9.988 3.412 0.898 92 HB3 PRO 13 1HB PRO 13 -9.816 3.592 2.646 93 HG2 PRO 13 2HG PRO 13 -8.670 5.338 1.011 94 HG3 PRO 13 1HG PRO 13 -7.828 4.775 2.466 95 HD2 PRO 13 2HD PRO 13 -7.432 3.953 -0.384 96 HD3 PRO 13 1HD PRO 13 -6.233 4.294 0.884 97 H ASN 14 H ASN 14 -8.157 0.954 -0.469 98 HA ASN 14 HA ASN 14 -10.670 -0.481 -0.471 99 HB2 ASN 14 2HB ASN 14 -10.042 -1.298 -2.683 100 HB3 ASN 14 1HB ASN 14 -9.806 0.438 -2.598 101 HD21 ASN 14 1HD2 ASN 14 -8.638 -1.490 -4.421 102 HD22 ASN 14 2HD2 ASN 14 -6.946 -1.349 -4.257 103 H1 WMH 101 1HG AZH 3 -2.537 -2.812 3.843 104 H2 WMH 101 2HG AZH 3 -2.413 -1.742 2.513 105 H5 WMH 101 HD PRG 11 0.279 1.152 4.907 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -7.572 -1.183 1.018 2 HA2 GLY 1 2HA GLY 1 -7.114 -3.113 2.328 3 HA3 GLY 1 1HA GLY 1 -8.007 -4.073 1.163 4 H LYS 2 H LYS 2 -6.030 -1.904 -0.432 5 HA LYS 2 HA LYS 2 -4.141 -4.052 -0.988 6 HB2 LYS 2 2HB LYS 2 -5.230 -2.981 -2.916 7 HB3 LYS 2 1HB LYS 2 -4.607 -1.422 -2.410 8 HG2 LYS 2 2HG LYS 2 -2.320 -2.242 -2.759 9 HG3 LYS 2 1HG LYS 2 -2.982 -3.782 -3.311 10 HD2 LYS 2 2HD LYS 2 -4.135 -2.635 -5.137 11 HD3 LYS 2 1HD LYS 2 -3.489 -1.097 -4.566 12 HE2 LYS 2 2HE LYS 2 -2.193 -1.957 -6.449 13 HE3 LYS 2 1HE LYS 2 -1.221 -1.866 -4.983 14 HZ1 LYS 2 1HZ LYS 2 -0.866 -3.914 -6.219 15 HZ2 LYS 2 2HZ LYS 2 -2.485 -4.358 -6.015 16 HZ3 LYS 2 3HZ LYS 2 -1.470 -4.246 -4.699 17 H ALA 3 H AZH 3 -2.151 -3.987 -0.199 18 HA ALA 3 HA AZH 3 -1.132 -1.441 0.800 19 HB1 ALA 3 1HB AZH 3 0.026 -3.110 2.542 20 HB2 ALA 3 2HB AZH 3 -1.448 -4.020 2.235 21 H LEU 4 H LEU 4 0.865 -0.933 0.261 22 HA LEU 4 HA LEU 4 2.311 -2.897 -1.335 23 HB2 LEU 4 2HB LEU 4 2.660 0.091 -1.095 24 HB3 LEU 4 1HB LEU 4 3.680 -0.954 -2.057 25 HG LEU 4 HG LEU 4 0.749 -0.479 -2.503 26 HD11 LEU 4 1HD1 LEU 4 1.486 0.754 -4.500 27 HD12 LEU 4 2HD1 LEU 4 3.164 0.527 -4.003 28 HD13 LEU 4 3HD1 LEU 4 2.075 1.497 -3.012 29 HD21 LEU 4 1HD2 LEU 4 1.424 -2.697 -3.247 30 HD22 LEU 4 2HD2 LEU 4 2.769 -2.000 -4.148 31 HD23 LEU 4 3HD2 LEU 4 1.109 -1.656 -4.634 32 H PHE 5 H PHE 5 3.477 -4.084 -0.006 33 HA PHE 5 HA PHE 5 4.924 -2.805 2.118 34 HB2 PHE 5 2HB PHE 5 4.838 -5.710 1.238 35 HB3 PHE 5 1HB PHE 5 5.754 -5.125 2.625 36 HD1 PHE 5 1HD PHE 5 2.584 -6.316 1.498 37 HD2 PHE 5 2HD PHE 5 4.466 -3.900 4.440 38 HE1 PHE 5 1HE PHE 5 0.581 -6.480 2.909 39 HE2 PHE 5 2HE PHE 5 2.469 -4.066 5.865 40 HZ PHE 5 HZ PHE 5 0.526 -5.350 5.102 41 H SER 6 H SER 6 5.919 -1.439 0.756 42 HA SER 6 HA SER 6 8.433 -2.323 -0.317 43 HB2 SER 6 2HB SER 6 6.279 -0.897 -1.927 44 HB3 SER 6 1HB SER 6 7.959 -1.058 -2.462 45 HG SER 6 HG SER 6 7.404 -3.406 -1.922 46 H ASN 7 H ASN 7 9.366 0.045 -1.209 47 HA ASN 7 HA ASN 7 8.673 1.867 0.947 48 HB2 ASN 7 2HB ASN 7 10.860 2.979 0.604 49 HB3 ASN 7 1HB ASN 7 11.054 1.275 0.976 50 HD21 ASN 7 1HD2 ASN 7 11.935 -0.072 -0.595 51 HD22 ASN 7 2HD2 ASN 7 12.666 0.535 -2.029 52 HA PRO 8 HA PRO 8 8.257 3.662 1.562 53 HB2 PRO 8 2HB PRO 8 6.051 5.474 1.342 54 HB3 PRO 8 1HB PRO 8 7.732 5.871 1.701 55 HG2 PRO 8 2HG PRO 8 6.411 6.618 -0.606 56 HG3 PRO 8 1HG PRO 8 8.170 6.490 -0.446 57 HD2 PRO 8 2HD PRO 8 6.225 4.528 -1.601 58 HD3 PRO 8 1HD PRO 8 7.831 4.996 -2.198 59 HA PRO 9 HA PRO 9 4.874 0.817 2.192 60 HB2 PRO 9 2HB PRO 9 4.469 1.287 4.893 61 HB3 PRO 9 1HB PRO 9 5.682 0.184 4.238 62 HG2 PRO 9 2HG PRO 9 5.996 2.964 5.257 63 HG3 PRO 9 1HG PRO 9 7.107 1.596 5.373 64 HD2 PRO 9 2HD PRO 9 7.462 3.623 3.615 65 HD3 PRO 9 1HD PRO 9 7.987 1.961 3.287 66 H ILE 10 H ILE 10 3.112 1.535 1.197 67 HA ILE 10 HA ILE 10 1.461 3.508 2.575 68 HB ILE 10 HB ILE 10 2.590 4.640 0.706 69 HG12 ILE 10 2HG1 ILE 10 0.588 5.456 -0.565 70 HG13 ILE 10 1HG1 ILE 10 -0.353 4.177 0.194 71 HG21 ILE 10 1HG2 ILE 10 2.183 4.032 -1.632 72 HG22 ILE 10 2HG2 ILE 10 1.344 2.579 -1.088 73 HG23 ILE 10 3HG2 ILE 10 3.060 2.785 -0.744 74 HD11 ILE 10 1HD1 ILE 10 1.044 6.425 1.628 75 HD12 ILE 10 2HD1 ILE 10 0.078 5.156 2.383 76 HD13 ILE 10 3HD1 ILE 10 -0.683 6.315 1.297 77 H ALA 11 H PRG 11 -0.704 3.059 2.599 78 HA ALA 11 HA PRG 11 -1.504 0.592 1.254 79 HB1 ALA 11 1HB PRG 11 -3.014 0.128 3.094 80 HB2 ALA 11 2HB PRG 11 -2.535 1.537 3.970 81 H PHE 12 H PHE 12 -3.674 0.475 0.644 82 HA PHE 12 HA PHE 12 -4.868 3.078 0.035 83 HB2 PHE 12 2HB PHE 12 -5.064 0.452 -1.474 84 HB3 PHE 12 1HB PHE 12 -5.887 1.934 -1.915 85 HD1 PHE 12 1HD PHE 12 -2.654 0.206 -1.793 86 HD2 PHE 12 2HD PHE 12 -4.729 3.695 -3.056 87 HE1 PHE 12 1HE PHE 12 -0.750 0.813 -3.239 88 HE2 PHE 12 2HE PHE 12 -2.837 4.307 -4.493 89 HZ PHE 12 HZ PHE 12 -0.841 2.866 -4.588 90 HA PRO 13 HA PRO 13 -8.210 1.800 2.671 91 HB2 PRO 13 2HB PRO 13 -10.254 3.217 1.577 92 HB3 PRO 13 1HB PRO 13 -8.970 3.958 2.540 93 HG2 PRO 13 2HG PRO 13 -9.211 3.751 -0.441 94 HG3 PRO 13 1HG PRO 13 -8.811 5.172 0.537 95 HD2 PRO 13 2HD PRO 13 -6.904 3.776 -0.682 96 HD3 PRO 13 1HD PRO 13 -6.644 4.428 0.948 97 H ASN 14 H ASN 14 -7.887 0.522 -0.279 98 HA ASN 14 HA ASN 14 -10.527 -0.758 -0.332 99 HB2 ASN 14 2HB ASN 14 -10.018 -1.524 -2.557 100 HB3 ASN 14 1HB ASN 14 -9.670 0.196 -2.494 101 HD21 ASN 14 1HD2 ASN 14 -8.686 -1.929 -4.227 102 HD22 ASN 14 2HD2 ASN 14 -6.967 -1.856 -4.138 103 H1 WMH 101 1HG AZH 3 -2.449 -2.574 3.858 104 H2 WMH 101 2HG AZH 3 -2.348 -1.521 2.524 105 H5 WMH 101 HD PRG 11 0.090 1.584 4.888 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -7.544 -1.258 0.739 2 HA2 GLY 1 2HA GLY 1 -6.898 -3.321 1.771 3 HA3 GLY 1 1HA GLY 1 -7.884 -4.166 0.583 4 H LYS 2 H LYS 2 -5.466 -1.635 0.172 5 HA LYS 2 HA LYS 2 -3.789 -3.551 -1.255 6 HB2 LYS 2 2HB LYS 2 -4.554 -0.795 -2.240 7 HB3 LYS 2 1HB LYS 2 -3.205 -1.697 -2.882 8 HG2 LYS 2 2HG LYS 2 -6.095 -2.531 -2.973 9 HG3 LYS 2 1HG LYS 2 -5.162 -1.860 -4.309 10 HD2 LYS 2 2HD LYS 2 -3.658 -3.788 -4.233 11 HD3 LYS 2 1HD LYS 2 -4.571 -4.445 -2.874 12 HE2 LYS 2 2HE LYS 2 -5.249 -5.555 -4.894 13 HE3 LYS 2 1HE LYS 2 -6.571 -4.553 -4.302 14 HZ1 LYS 2 1HZ LYS 2 -5.978 -2.877 -5.958 15 HZ2 LYS 2 2HZ LYS 2 -6.296 -4.350 -6.700 16 HZ3 LYS 2 3HZ LYS 2 -4.707 -3.834 -6.496 17 H ALA 3 H AZH 3 -1.881 -3.601 -0.411 18 HA ALA 3 HA AZH 3 -0.797 -1.178 0.770 19 HB1 ALA 3 1HB AZH 3 0.272 -2.999 2.422 20 HB2 ALA 3 2HB AZH 3 -1.270 -3.777 2.075 21 H LEU 4 H LEU 4 1.156 -0.677 0.294 22 HA LEU 4 HA LEU 4 2.687 -2.516 -1.332 23 HB2 LEU 4 2HB LEU 4 2.518 -0.142 -2.013 24 HB3 LEU 4 1HB LEU 4 3.271 0.330 -0.502 25 HG LEU 4 HG LEU 4 5.372 -0.726 -1.194 26 HD11 LEU 4 1HD1 LEU 4 5.642 -1.596 -3.449 27 HD12 LEU 4 2HD1 LEU 4 3.920 -1.364 -3.752 28 HD13 LEU 4 3HD1 LEU 4 4.457 -2.529 -2.541 29 HD21 LEU 4 1HD2 LEU 4 5.951 0.774 -3.029 30 HD22 LEU 4 2HD2 LEU 4 4.996 1.604 -1.801 31 HD23 LEU 4 3HD2 LEU 4 4.241 1.095 -3.313 32 H PHE 5 H PHE 5 3.967 -3.853 -0.407 33 HA PHE 5 HA PHE 5 4.768 -3.498 2.368 34 HB2 PHE 5 2HB PHE 5 5.056 -5.896 0.533 35 HB3 PHE 5 1HB PHE 5 5.390 -5.873 2.259 36 HD1 PHE 5 1HD PHE 5 2.931 -6.443 -0.241 37 HD2 PHE 5 2HD PHE 5 3.431 -5.290 3.823 38 HE1 PHE 5 1HE PHE 5 0.592 -7.033 0.211 39 HE2 PHE 5 2HE PHE 5 1.095 -5.883 4.283 40 HZ PHE 5 HZ PHE 5 -0.334 -6.758 2.478 41 H SER 6 H SER 6 5.940 -1.897 0.388 42 HA SER 6 HA SER 6 8.741 -2.558 0.710 43 HB2 SER 6 2HB SER 6 7.499 -1.656 -1.913 44 HB3 SER 6 1HB SER 6 9.196 -2.048 -1.631 45 HG SER 6 HG SER 6 7.931 -4.126 -0.828 46 H ASN 7 H ASN 7 9.896 -0.335 -0.192 47 HA ASN 7 HA ASN 7 8.488 1.792 1.162 48 HB2 ASN 7 2HB ASN 7 11.308 1.583 0.107 49 HB3 ASN 7 1HB ASN 7 10.646 3.094 0.720 50 HD21 ASN 7 1HD2 ASN 7 10.292 3.311 2.920 51 HD22 ASN 7 2HD2 ASN 7 10.926 2.181 4.058 52 HA PRO 8 HA PRO 8 7.952 3.614 1.301 53 HB2 PRO 8 2HB PRO 8 6.114 5.500 0.766 54 HB3 PRO 8 1HB PRO 8 7.843 5.791 0.572 55 HG2 PRO 8 2HG PRO 8 5.762 5.410 -1.484 56 HG3 PRO 8 1HG PRO 8 7.316 6.244 -1.600 57 HD2 PRO 8 2HD PRO 8 6.671 3.597 -2.487 58 HD3 PRO 8 1HD PRO 8 8.243 4.411 -2.554 59 HA PRO 9 HA PRO 9 4.408 0.929 1.743 60 HB2 PRO 9 2HB PRO 9 3.885 1.389 4.378 61 HB3 PRO 9 1HB PRO 9 5.191 0.340 3.820 62 HG2 PRO 9 2HG PRO 9 5.304 3.191 4.722 63 HG3 PRO 9 1HG PRO 9 6.418 1.865 5.094 64 HD2 PRO 9 2HD PRO 9 6.966 3.731 3.241 65 HD3 PRO 9 1HD PRO 9 7.507 2.047 3.067 66 H ILE 10 H ILE 10 2.958 2.049 0.464 67 HA ILE 10 HA ILE 10 1.256 3.941 1.879 68 HB ILE 10 HB ILE 10 2.070 4.835 -0.248 69 HG12 ILE 10 2HG1 ILE 10 -0.852 4.046 -0.481 70 HG13 ILE 10 1HG1 ILE 10 -0.224 5.412 0.429 71 HG21 ILE 10 1HG2 ILE 10 1.541 3.798 -2.410 72 HG22 ILE 10 2HG2 ILE 10 0.883 2.397 -1.563 73 HG23 ILE 10 3HG2 ILE 10 2.595 2.789 -1.419 74 HD11 ILE 10 1HD1 ILE 10 0.525 6.454 -1.628 75 HD12 ILE 10 2HD1 ILE 10 -1.198 6.091 -1.693 76 HD13 ILE 10 3HD1 ILE 10 -0.046 5.065 -2.548 77 H ALA 11 H PRG 11 -0.784 3.393 2.370 78 HA ALA 11 HA PRG 11 -1.701 0.856 1.277 79 HB1 ALA 11 1HB PRG 11 -2.795 0.279 3.367 80 HB2 ALA 11 2HB PRG 11 -2.225 1.706 4.168 81 H PHE 12 H PHE 12 -3.698 0.660 0.744 82 HA PHE 12 HA PHE 12 -5.254 3.154 0.530 83 HB2 PHE 12 2HB PHE 12 -5.297 0.720 -1.265 84 HB3 PHE 12 1HB PHE 12 -6.232 2.182 -1.496 85 HD1 PHE 12 1HD PHE 12 -5.269 4.121 -2.487 86 HD2 PHE 12 2HD PHE 12 -2.852 0.729 -1.639 87 HE1 PHE 12 1HE PHE 12 -3.461 5.048 -3.882 88 HE2 PHE 12 2HE PHE 12 -1.057 1.658 -3.023 89 HZ PHE 12 HZ PHE 12 -1.363 3.816 -4.144 90 HA PRO 13 HA PRO 13 -8.162 1.196 3.211 91 HB2 PRO 13 2HB PRO 13 -10.438 2.497 2.388 92 HB3 PRO 13 1HB PRO 13 -9.234 3.172 3.491 93 HG2 PRO 13 2HG PRO 13 -9.558 3.612 0.555 94 HG3 PRO 13 1HG PRO 13 -9.181 4.784 1.826 95 HD2 PRO 13 2HD PRO 13 -7.277 3.821 0.218 96 HD3 PRO 13 1HD PRO 13 -6.957 4.147 1.935 97 H ASN 14 H ASN 14 -8.436 0.894 -0.194 98 HA ASN 14 HA ASN 14 -10.738 -0.843 -0.106 99 HB2 ASN 14 2HB ASN 14 -10.505 -1.187 -2.455 100 HB3 ASN 14 1HB ASN 14 -10.103 0.496 -2.170 101 HD21 ASN 14 1HD2 ASN 14 -7.932 1.158 -2.522 102 HD22 ASN 14 2HD2 ASN 14 -6.817 0.171 -3.381 103 H1 WMH 101 1HG AZH 3 -2.018 -2.360 3.856 104 H2 WMH 101 2HG AZH 3 -2.104 -1.332 2.484 105 H5 WMH 101 HD PRG 11 0.522 1.843 4.611 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -7.641 -1.104 0.850 2 HA2 GLY 1 2HA GLY 1 -6.924 -3.068 2.001 3 HA3 GLY 1 1HA GLY 1 -8.126 -3.987 1.099 4 H LYS 2 H LYS 2 -5.379 -1.869 0.420 5 HA LYS 2 HA LYS 2 -4.145 -3.963 -1.102 6 HB2 LYS 2 2HB LYS 2 -5.522 -2.735 -2.790 7 HB3 LYS 2 1HB LYS 2 -4.701 -1.249 -2.350 8 HG2 LYS 2 2HG LYS 2 -3.768 -2.131 -4.407 9 HG3 LYS 2 1HG LYS 2 -2.562 -2.222 -3.121 10 HD2 LYS 2 2HD LYS 2 -3.108 -4.604 -2.794 11 HD3 LYS 2 1HD LYS 2 -4.295 -4.503 -4.092 12 HE2 LYS 2 2HE LYS 2 -2.226 -5.502 -4.904 13 HE3 LYS 2 1HE LYS 2 -2.497 -3.943 -5.676 14 HZ1 LYS 2 1HZ LYS 2 -0.882 -2.957 -4.171 15 HZ2 LYS 2 2HZ LYS 2 -0.205 -4.220 -5.025 16 HZ3 LYS 2 3HZ LYS 2 -0.605 -4.456 -3.418 17 H ALA 3 H AZH 3 -2.345 -4.030 0.009 18 HA ALA 3 HA AZH 3 -1.033 -1.518 0.685 19 HB1 ALA 3 1HB AZH 3 0.094 -3.193 2.444 20 HB2 ALA 3 2HB AZH 3 -1.481 -3.962 2.266 21 H LEU 4 H LEU 4 0.904 -1.117 0.108 22 HA LEU 4 HA LEU 4 2.333 -3.209 -1.341 23 HB2 LEU 4 2HB LEU 4 2.631 -0.193 -1.482 24 HB3 LEU 4 1HB LEU 4 3.594 -1.340 -2.376 25 HG LEU 4 HG LEU 4 1.454 -2.023 -3.576 26 HD11 LEU 4 1HD1 LEU 4 -0.186 -1.149 -2.019 27 HD12 LEU 4 2HD1 LEU 4 -0.384 -0.397 -3.604 28 HD13 LEU 4 3HD1 LEU 4 0.396 0.489 -2.296 29 HD21 LEU 4 1HD2 LEU 4 1.525 -0.101 -5.083 30 HD22 LEU 4 2HD2 LEU 4 3.141 -0.621 -4.605 31 HD23 LEU 4 3HD2 LEU 4 2.421 0.812 -3.871 32 H PHE 5 H PHE 5 3.576 -4.140 0.175 33 HA PHE 5 HA PHE 5 4.840 -2.498 2.166 34 HB2 PHE 5 2HB PHE 5 4.036 -4.850 2.675 35 HB3 PHE 5 1HB PHE 5 5.322 -5.447 1.633 36 HD1 PHE 5 1HD PHE 5 7.626 -5.435 2.370 37 HD2 PHE 5 2HD PHE 5 4.554 -3.790 4.818 38 HE1 PHE 5 1HE PHE 5 9.179 -5.371 4.275 39 HE2 PHE 5 2HE PHE 5 6.099 -3.727 6.718 40 HZ PHE 5 HZ PHE 5 8.415 -4.519 6.454 41 H SER 6 H SER 6 6.131 -1.177 1.124 42 HA SER 6 HA SER 6 8.596 -2.217 0.117 43 HB2 SER 6 2HB SER 6 7.071 -2.124 -1.890 44 HB3 SER 6 1HB SER 6 6.812 -0.411 -1.570 45 HG SER 6 HG SER 6 9.152 -1.745 -2.387 46 H ASN 7 H ASN 7 9.544 0.230 -0.752 47 HA ASN 7 HA ASN 7 8.947 2.052 1.463 48 HB2 ASN 7 2HB ASN 7 11.228 1.232 1.706 49 HB3 ASN 7 1HB ASN 7 11.573 1.615 0.024 50 HD21 ASN 7 1HD2 ASN 7 13.293 2.923 0.603 51 HD22 ASN 7 2HD2 ASN 7 13.083 4.485 1.303 52 HA PRO 8 HA PRO 8 8.100 3.734 1.898 53 HB2 PRO 8 2HB PRO 8 5.810 5.255 1.062 54 HB3 PRO 8 1HB PRO 8 7.241 5.828 1.916 55 HG2 PRO 8 2HG PRO 8 6.579 6.540 -0.663 56 HG3 PRO 8 1HG PRO 8 8.218 6.596 -0.000 57 HD2 PRO 8 2HD PRO 8 6.943 4.525 -1.739 58 HD3 PRO 8 1HD PRO 8 8.597 5.172 -1.784 59 HA PRO 9 HA PRO 9 4.824 0.690 1.661 60 HB2 PRO 9 2HB PRO 9 3.867 0.826 4.216 61 HB3 PRO 9 1HB PRO 9 5.373 0.004 3.799 62 HG2 PRO 9 2HG PRO 9 4.954 2.691 5.011 63 HG3 PRO 9 1HG PRO 9 6.231 1.508 5.326 64 HD2 PRO 9 2HD PRO 9 6.545 3.747 3.751 65 HD3 PRO 9 1HD PRO 9 7.520 2.274 3.603 66 H ILE 10 H ILE 10 3.310 1.487 0.344 67 HA ILE 10 HA ILE 10 1.523 3.602 1.303 68 HB ILE 10 HB ILE 10 1.899 2.490 -1.503 69 HG12 ILE 10 2HG1 ILE 10 2.828 5.119 -0.315 70 HG13 ILE 10 1HG1 ILE 10 3.862 3.734 -0.635 71 HG21 ILE 10 1HG2 ILE 10 -0.363 3.378 -1.151 72 HG22 ILE 10 2HG2 ILE 10 0.561 4.416 -2.239 73 HG23 ILE 10 3HG2 ILE 10 0.320 4.894 -0.560 74 HD11 ILE 10 1HD1 ILE 10 3.402 3.957 -3.027 75 HD12 ILE 10 2HD1 ILE 10 4.092 5.433 -2.349 76 HD13 ILE 10 3HD1 ILE 10 2.364 5.342 -2.689 77 H ALA 11 H PRG 11 -0.591 3.148 1.760 78 HA ALA 11 HA PRG 11 -1.598 0.543 0.923 79 HB1 ALA 11 1HB PRG 11 -2.745 0.284 3.037 80 HB2 ALA 11 2HB PRG 11 -2.086 1.750 3.680 81 H PHE 12 H PHE 12 -3.728 0.474 0.507 82 HA PHE 12 HA PHE 12 -5.040 3.091 0.310 83 HB2 PHE 12 2HB PHE 12 -5.345 0.719 -1.553 84 HB3 PHE 12 1HB PHE 12 -6.255 2.217 -1.676 85 HD1 PHE 12 1HD PHE 12 -4.792 4.394 -1.865 86 HD2 PHE 12 2HD PHE 12 -3.420 0.478 -2.815 87 HE1 PHE 12 1HE PHE 12 -3.033 5.358 -3.284 88 HE2 PHE 12 2HE PHE 12 -1.658 1.438 -4.234 89 HZ PHE 12 HZ PHE 12 -1.458 3.880 -4.469 90 HA PRO 13 HA PRO 13 -8.080 1.747 3.220 91 HB2 PRO 13 2HB PRO 13 -10.054 3.029 1.404 92 HB3 PRO 13 1HB PRO 13 -9.796 3.267 3.135 93 HG2 PRO 13 2HG PRO 13 -8.939 5.080 1.425 94 HG3 PRO 13 1HG PRO 13 -7.944 4.607 2.811 95 HD2 PRO 13 2HD PRO 13 -7.661 3.858 -0.070 96 HD3 PRO 13 1HD PRO 13 -6.413 4.240 1.137 97 H ASN 14 H ASN 14 -8.630 1.046 -0.134 98 HA ASN 14 HA ASN 14 -10.916 -0.630 0.225 99 HB2 ASN 14 2HB ASN 14 -10.621 -1.257 -2.092 100 HB3 ASN 14 1HB ASN 14 -10.370 0.476 -1.919 101 HD21 ASN 14 1HD2 ASN 14 -8.924 -2.564 -2.724 102 HD22 ASN 14 2HD2 ASN 14 -7.431 -1.931 -3.277 103 H1 WMH 101 1HG AZH 3 -2.182 -2.329 3.880 104 H2 WMH 101 2HG AZH 3 -2.169 -1.434 2.431 105 H5 WMH 101 HD PRG 11 0.632 1.778 4.165 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -7.528 -1.037 1.071 2 HA2 GLY 1 2HA GLY 1 -6.996 -2.950 2.492 3 HA3 GLY 1 1HA GLY 1 -7.934 -3.938 1.387 4 H LYS 2 H LYS 2 -6.180 -1.735 -0.366 5 HA LYS 2 HA LYS 2 -4.308 -3.799 -1.162 6 HB2 LYS 2 2HB LYS 2 -5.458 -2.551 -2.927 7 HB3 LYS 2 1HB LYS 2 -4.822 -1.045 -2.302 8 HG2 LYS 2 2HG LYS 2 -3.608 -1.712 -4.281 9 HG3 LYS 2 1HG LYS 2 -2.549 -1.774 -2.873 10 HD2 LYS 2 2HD LYS 2 -2.856 -4.199 -2.749 11 HD3 LYS 2 1HD LYS 2 -3.927 -4.141 -4.152 12 HE2 LYS 2 2HE LYS 2 -2.099 -3.241 -5.499 13 HE3 LYS 2 1HE LYS 2 -1.028 -3.309 -4.102 14 HZ1 LYS 2 1HZ LYS 2 -0.688 -5.183 -5.552 15 HZ2 LYS 2 2HZ LYS 2 -2.291 -5.647 -5.453 16 HZ3 LYS 2 3HZ LYS 2 -1.300 -5.737 -4.098 17 H ALA 3 H AZH 3 -2.580 -3.990 -0.011 18 HA ALA 3 HA AZH 3 -1.052 -1.596 0.610 19 HB1 ALA 3 1HB AZH 3 -0.176 -3.249 2.541 20 HB2 ALA 3 2HB AZH 3 -1.832 -3.828 2.392 21 H LEU 4 H LEU 4 0.919 -1.557 -0.005 22 HA LEU 4 HA LEU 4 2.127 -4.040 -0.981 23 HB2 LEU 4 2HB LEU 4 1.524 -2.544 -2.829 24 HB3 LEU 4 1HB LEU 4 2.407 -1.238 -2.065 25 HG LEU 4 HG LEU 4 4.510 -2.510 -2.382 26 HD11 LEU 4 1HD1 LEU 4 2.768 -4.414 -3.932 27 HD12 LEU 4 2HD1 LEU 4 3.627 -4.763 -2.430 28 HD13 LEU 4 3HD1 LEU 4 4.530 -4.425 -3.906 29 HD21 LEU 4 1HD2 LEU 4 2.907 -2.013 -4.889 30 HD22 LEU 4 2HD2 LEU 4 4.663 -2.154 -4.803 31 HD23 LEU 4 3HD2 LEU 4 3.846 -0.815 -3.997 32 H PHE 5 H PHE 5 3.872 -4.540 0.108 33 HA PHE 5 HA PHE 5 4.955 -2.675 1.980 34 HB2 PHE 5 2HB PHE 5 4.706 -5.138 2.453 35 HB3 PHE 5 1HB PHE 5 6.014 -5.425 1.314 36 HD1 PHE 5 1HD PHE 5 8.288 -5.040 1.936 37 HD2 PHE 5 2HD PHE 5 5.123 -3.920 4.536 38 HE1 PHE 5 1HE PHE 5 9.905 -4.699 3.758 39 HE2 PHE 5 2HE PHE 5 6.734 -3.575 6.355 40 HZ PHE 5 HZ PHE 5 9.125 -3.969 5.964 41 H SER 6 H SER 6 5.797 -1.088 0.845 42 HA SER 6 HA SER 6 8.210 -1.624 -0.672 43 HB2 SER 6 2HB SER 6 7.549 0.571 -1.836 44 HB3 SER 6 1HB SER 6 6.555 -0.841 -2.209 45 HG SER 6 HG SER 6 5.928 1.477 -0.819 46 H ASN 7 H ASN 7 9.173 0.968 -0.713 47 HA ASN 7 HA ASN 7 8.963 2.019 1.947 48 HB2 ASN 7 2HB ASN 7 11.489 2.277 2.112 49 HB3 ASN 7 1HB ASN 7 10.904 0.632 2.259 50 HD21 ASN 7 1HD2 ASN 7 11.396 -0.855 0.608 51 HD22 ASN 7 2HD2 ASN 7 12.617 -0.534 -0.561 52 HA PRO 8 HA PRO 8 8.102 3.685 2.665 53 HB2 PRO 8 2HB PRO 8 6.084 5.473 1.568 54 HB3 PRO 8 1HB PRO 8 7.140 5.726 2.953 55 HG2 PRO 8 2HG PRO 8 7.376 7.130 0.648 56 HG3 PRO 8 1HG PRO 8 8.753 6.767 1.698 57 HD2 PRO 8 2HD PRO 8 7.878 5.400 -0.816 58 HD3 PRO 8 1HD PRO 8 9.515 5.859 -0.303 59 HA PRO 9 HA PRO 9 5.073 0.698 1.163 60 HB2 PRO 9 2HB PRO 9 3.657 1.249 3.706 61 HB3 PRO 9 1HB PRO 9 4.261 -0.284 3.074 62 HG2 PRO 9 2HG PRO 9 5.481 0.944 5.097 63 HG3 PRO 9 1HG PRO 9 6.405 0.086 3.852 64 HD2 PRO 9 2HD PRO 9 5.977 3.019 4.222 65 HD3 PRO 9 1HD PRO 9 7.428 2.131 3.713 66 H ILE 10 H ILE 10 3.071 0.749 0.218 67 HA ILE 10 HA ILE 10 1.593 3.250 0.514 68 HB ILE 10 HB ILE 10 2.728 3.257 -1.643 69 HG12 ILE 10 2HG1 ILE 10 -0.224 2.717 -2.034 70 HG13 ILE 10 1HG1 ILE 10 0.471 4.250 -1.522 71 HG21 ILE 10 1HG2 ILE 10 1.346 0.652 -2.216 72 HG22 ILE 10 2HG2 ILE 10 3.079 0.906 -1.990 73 HG23 ILE 10 3HG2 ILE 10 2.259 1.598 -3.391 74 HD11 ILE 10 1HD1 ILE 10 0.949 2.894 -4.167 75 HD12 ILE 10 2HD1 ILE 10 1.631 4.440 -3.658 76 HD13 ILE 10 3HD1 ILE 10 -0.112 4.272 -3.878 77 H ALA 11 H PRG 11 -0.463 3.069 1.089 78 HA ALA 11 HA PRG 11 -1.801 0.500 0.721 79 HB1 ALA 11 1HB PRG 11 -2.740 0.530 2.941 80 HB2 ALA 11 2HB PRG 11 -1.952 2.003 3.380 81 H PHE 12 H PHE 12 -3.940 0.562 0.537 82 HA PHE 12 HA PHE 12 -5.193 3.197 0.229 83 HB2 PHE 12 2HB PHE 12 -5.559 0.747 -1.516 84 HB3 PHE 12 1HB PHE 12 -6.565 2.181 -1.606 85 HD1 PHE 12 1HD PHE 12 -5.622 4.302 -2.406 86 HD2 PHE 12 2HD PHE 12 -3.391 0.687 -2.501 87 HE1 PHE 12 1HE PHE 12 -4.070 5.313 -4.010 88 HE2 PHE 12 2HE PHE 12 -1.826 1.694 -4.109 89 HZ PHE 12 HZ PHE 12 -2.166 4.015 -4.866 90 HA PRO 13 HA PRO 13 -8.211 1.881 3.238 91 HB2 PRO 13 2HB PRO 13 -10.116 3.199 1.355 92 HB3 PRO 13 1HB PRO 13 -9.952 3.398 3.104 93 HG2 PRO 13 2HG PRO 13 -8.977 5.252 1.527 94 HG3 PRO 13 1HG PRO 13 -8.012 4.685 2.900 95 HD2 PRO 13 2HD PRO 13 -7.714 4.027 -0.005 96 HD3 PRO 13 1HD PRO 13 -6.476 4.354 1.226 97 H ASN 14 H ASN 14 -8.585 1.028 -0.095 98 HA ASN 14 HA ASN 14 -10.803 -0.718 0.293 99 HB2 ASN 14 2HB ASN 14 -10.382 -1.560 -1.990 100 HB3 ASN 14 1HB ASN 14 -10.404 0.191 -1.945 101 HD21 ASN 14 1HD2 ASN 14 -9.256 0.368 -3.836 102 HD22 ASN 14 2HD2 ASN 14 -7.585 -0.011 -3.977 103 H1 WMH 101 1HG AZH 3 -2.228 -2.049 3.954 104 H2 WMH 101 2HG AZH 3 -2.322 -1.284 2.420 105 H5 WMH 101 HD PRG 11 0.782 1.910 3.702 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.442 -1.144 0.752 2 HA2 GLY 1 2HA GLY 1 -6.705 -3.187 1.747 3 HA3 GLY 1 1HA GLY 1 -7.571 -4.064 0.492 4 H LYS 2 H LYS 2 -5.823 -1.350 -0.599 5 HA LYS 2 HA LYS 2 -3.896 -3.160 -1.797 6 HB2 LYS 2 2HB LYS 2 -5.180 -1.385 -3.134 7 HB3 LYS 2 1HB LYS 2 -4.215 -0.187 -2.307 8 HG2 LYS 2 2HG LYS 2 -3.018 -2.359 -4.031 9 HG3 LYS 2 1HG LYS 2 -3.496 -0.783 -4.644 10 HD2 LYS 2 2HD LYS 2 -1.882 0.294 -3.179 11 HD3 LYS 2 1HD LYS 2 -1.436 -1.267 -2.484 12 HE2 LYS 2 2HE LYS 2 0.183 -0.536 -4.190 13 HE3 LYS 2 1HE LYS 2 -0.641 -2.014 -4.667 14 HZ1 LYS 2 1HZ LYS 2 -0.457 -0.457 -6.481 15 HZ2 LYS 2 2HZ LYS 2 -1.340 0.708 -5.644 16 HZ3 LYS 2 3HZ LYS 2 -2.066 -0.739 -6.104 17 H ALA 3 H AZH 3 -2.276 -3.611 -0.511 18 HA ALA 3 HA AZH 3 -0.803 -1.443 0.749 19 HB1 ALA 3 1HB AZH 3 -0.372 -3.371 2.553 20 HB2 ALA 3 2HB AZH 3 -2.000 -3.808 2.056 21 H LEU 4 H LEU 4 1.295 -1.521 0.506 22 HA LEU 4 HA LEU 4 2.482 -4.008 -0.403 23 HB2 LEU 4 2HB LEU 4 3.905 -2.832 -2.022 24 HB3 LEU 4 1HB LEU 4 2.223 -2.611 -2.415 25 HG LEU 4 HG LEU 4 3.972 -0.499 -1.111 26 HD11 LEU 4 1HD1 LEU 4 4.723 -1.020 -3.370 27 HD12 LEU 4 2HD1 LEU 4 3.955 0.566 -3.305 28 HD13 LEU 4 3HD1 LEU 4 3.078 -0.813 -3.974 29 HD21 LEU 4 1HD2 LEU 4 2.182 1.034 -1.784 30 HD22 LEU 4 2HD2 LEU 4 1.601 -0.171 -0.641 31 HD23 LEU 4 3HD2 LEU 4 1.225 -0.332 -2.355 32 H PHE 5 H PHE 5 4.619 -4.335 0.272 33 HA PHE 5 HA PHE 5 5.201 -2.749 2.638 34 HB2 PHE 5 2HB PHE 5 6.699 -4.604 3.326 35 HB3 PHE 5 1HB PHE 5 5.035 -5.110 3.104 36 HD1 PHE 5 1HD PHE 5 8.437 -5.279 1.767 37 HD2 PHE 5 2HD PHE 5 4.451 -6.690 1.416 38 HE1 PHE 5 1HE PHE 5 9.223 -7.095 0.298 39 HE2 PHE 5 2HE PHE 5 5.218 -8.512 -0.068 40 HZ PHE 5 HZ PHE 5 7.605 -8.714 -0.624 41 H SER 6 H SER 6 6.172 -2.904 -0.502 42 HA SER 6 HA SER 6 8.917 -2.317 -0.181 43 HB2 SER 6 2HB SER 6 8.620 -1.428 -2.530 44 HB3 SER 6 1HB SER 6 8.217 -3.132 -2.289 45 HG SER 6 HG SER 6 6.355 -1.013 -2.191 46 H ASN 7 H ASN 7 9.878 -0.452 0.222 47 HA ASN 7 HA ASN 7 8.444 1.725 1.309 48 HB2 ASN 7 2HB ASN 7 10.702 1.100 2.083 49 HB3 ASN 7 1HB ASN 7 11.364 1.484 0.506 50 HD21 ASN 7 1HD2 ASN 7 12.800 2.953 1.388 51 HD22 ASN 7 2HD2 ASN 7 12.315 4.485 2.008 52 HA PRO 8 HA PRO 8 7.932 3.623 1.497 53 HB2 PRO 8 2HB PRO 8 6.072 5.483 0.775 54 HB3 PRO 8 1HB PRO 8 7.775 5.822 1.060 55 HG2 PRO 8 2HG PRO 8 6.307 5.816 -1.453 56 HG3 PRO 8 1HG PRO 8 7.928 6.429 -1.114 57 HD2 PRO 8 2HD PRO 8 7.150 3.923 -2.362 58 HD3 PRO 8 1HD PRO 8 8.764 4.628 -2.205 59 HA PRO 9 HA PRO 9 4.328 0.953 1.162 60 HB2 PRO 9 2HB PRO 9 3.988 1.106 4.018 61 HB3 PRO 9 1HB PRO 9 4.620 -0.240 3.069 62 HG2 PRO 9 2HG PRO 9 6.118 1.271 4.804 63 HG3 PRO 9 1HG PRO 9 6.789 0.375 3.428 64 HD2 PRO 9 2HD PRO 9 6.166 3.286 3.687 65 HD3 PRO 9 1HD PRO 9 7.530 2.473 2.891 66 H ILE 10 H ILE 10 2.692 2.108 0.322 67 HA ILE 10 HA ILE 10 1.241 3.885 2.133 68 HB ILE 10 HB ILE 10 2.003 5.032 0.111 69 HG12 ILE 10 2HG1 ILE 10 -0.983 4.537 -0.021 70 HG13 ILE 10 1HG1 ILE 10 -0.186 5.685 1.046 71 HG21 ILE 10 1HG2 ILE 10 2.253 3.181 -1.400 72 HG22 ILE 10 2HG2 ILE 10 1.202 4.394 -2.134 73 HG23 ILE 10 3HG2 ILE 10 0.510 2.924 -1.439 74 HD11 ILE 10 1HD1 ILE 10 0.583 6.950 -0.902 75 HD12 ILE 10 2HD1 ILE 10 -1.172 6.796 -0.875 76 HD13 ILE 10 3HD1 ILE 10 -0.216 5.791 -1.964 77 H ALA 11 H PRG 11 -0.946 3.456 2.511 78 HA ALA 11 HA PRG 11 -1.857 0.978 1.287 79 HB1 ALA 11 1HB PRG 11 -3.005 0.387 3.365 80 HB2 ALA 11 2HB PRG 11 -2.282 1.741 4.193 81 H PHE 12 H PHE 12 -3.871 0.811 0.765 82 HA PHE 12 HA PHE 12 -5.396 3.291 0.851 83 HB2 PHE 12 2HB PHE 12 -5.392 1.133 -1.263 84 HB3 PHE 12 1HB PHE 12 -6.417 2.553 -1.271 85 HD1 PHE 12 1HD PHE 12 -2.964 1.349 -1.628 86 HD2 PHE 12 2HD PHE 12 -5.595 4.667 -1.949 87 HE1 PHE 12 1HE PHE 12 -1.242 2.582 -2.865 88 HE2 PHE 12 2HE PHE 12 -3.891 5.907 -3.169 89 HZ PHE 12 HZ PHE 12 -1.696 4.865 -3.640 90 HA PRO 13 HA PRO 13 -8.460 1.286 3.310 91 HB2 PRO 13 2HB PRO 13 -10.719 2.388 2.112 92 HB3 PRO 13 1HB PRO 13 -9.740 3.172 3.359 93 HG2 PRO 13 2HG PRO 13 -9.603 3.477 0.381 94 HG3 PRO 13 1HG PRO 13 -9.536 4.730 1.634 95 HD2 PRO 13 2HD PRO 13 -7.323 3.950 0.472 96 HD3 PRO 13 1HD PRO 13 -7.350 4.172 2.236 97 H ASN 14 H ASN 14 -8.472 0.916 -0.123 98 HA ASN 14 HA ASN 14 -10.642 -0.972 -0.222 99 HB2 ASN 14 2HB ASN 14 -10.165 -1.175 -2.598 100 HB3 ASN 14 1HB ASN 14 -10.125 0.522 -2.154 101 HD21 ASN 14 1HD2 ASN 14 -8.905 -0.754 -4.460 102 HD22 ASN 14 2HD2 ASN 14 -7.221 -0.425 -4.334 103 H1 WMH 101 1HG AZH 3 -2.453 -2.279 3.834 104 H2 WMH 101 2HG AZH 3 -2.475 -1.312 2.395 105 H5 WMH 101 HD PRG 11 0.488 1.668 4.430 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -7.394 -1.070 1.269 2 HA2 GLY 1 2HA GLY 1 -6.819 -3.081 2.568 3 HA3 GLY 1 1HA GLY 1 -7.682 -3.994 1.338 4 H LYS 2 H LYS 2 -6.480 -2.098 -0.720 5 HA LYS 2 HA LYS 2 -4.386 -3.820 -1.452 6 HB2 LYS 2 2HB LYS 2 -5.771 -2.491 -3.061 7 HB3 LYS 2 1HB LYS 2 -4.923 -1.047 -2.547 8 HG2 LYS 2 2HG LYS 2 -2.831 -1.953 -3.375 9 HG3 LYS 2 1HG LYS 2 -3.642 -3.449 -3.846 10 HD2 LYS 2 2HD LYS 2 -5.092 -2.087 -5.360 11 HD3 LYS 2 1HD LYS 2 -4.095 -0.686 -4.966 12 HE2 LYS 2 2HE LYS 2 -3.098 -3.245 -6.214 13 HE3 LYS 2 1HE LYS 2 -3.446 -1.759 -7.095 14 HZ1 LYS 2 1HZ LYS 2 -1.370 -2.064 -4.978 15 HZ2 LYS 2 2HZ LYS 2 -1.681 -0.663 -5.885 16 HZ3 LYS 2 3HZ LYS 2 -1.102 -2.033 -6.642 17 H ALA 3 H AZH 3 -2.442 -3.913 -0.735 18 HA ALA 3 HA AZH 3 -1.035 -1.536 0.166 19 HB1 ALA 3 1HB AZH 3 -0.180 -3.240 2.045 20 HB2 ALA 3 2HB AZH 3 -1.819 -3.841 1.843 21 H LEU 4 H LEU 4 1.037 -1.486 -0.344 22 HA LEU 4 HA LEU 4 2.286 -4.033 -0.989 23 HB2 LEU 4 2HB LEU 4 1.958 -2.731 -3.058 24 HB3 LEU 4 1HB LEU 4 2.773 -1.364 -2.320 25 HG LEU 4 HG LEU 4 4.842 -2.740 -2.171 26 HD11 LEU 4 1HD1 LEU 4 3.274 -4.711 -3.816 27 HD12 LEU 4 2HD1 LEU 4 3.889 -4.953 -2.178 28 HD13 LEU 4 3HD1 LEU 4 5.011 -4.771 -3.523 29 HD21 LEU 4 1HD2 LEU 4 5.387 -2.618 -4.562 30 HD22 LEU 4 2HD2 LEU 4 4.558 -1.172 -3.990 31 HD23 LEU 4 3HD2 LEU 4 3.678 -2.384 -4.925 32 H PHE 5 H PHE 5 3.776 -4.407 0.420 33 HA PHE 5 HA PHE 5 4.629 -2.234 2.083 34 HB2 PHE 5 2HB PHE 5 5.102 -5.191 2.352 35 HB3 PHE 5 1HB PHE 5 5.840 -4.000 3.421 36 HD1 PHE 5 1HD PHE 5 2.733 -5.646 2.455 37 HD2 PHE 5 2HD PHE 5 4.498 -2.721 4.981 38 HE1 PHE 5 1HE PHE 5 0.694 -5.606 3.828 39 HE2 PHE 5 2HE PHE 5 2.466 -2.677 6.356 40 HZ PHE 5 HZ PHE 5 0.561 -4.120 5.780 41 H SER 6 H SER 6 5.612 -1.161 0.485 42 HA SER 6 HA SER 6 8.306 -1.983 -0.160 43 HB2 SER 6 2HB SER 6 7.972 0.029 -1.736 44 HB3 SER 6 1HB SER 6 7.025 -1.422 -2.077 45 HG SER 6 HG SER 6 6.031 0.873 -1.865 46 H ASN 7 H ASN 7 9.206 0.713 -0.480 47 HA ASN 7 HA ASN 7 8.685 1.981 2.037 48 HB2 ASN 7 2HB ASN 7 11.178 2.357 2.424 49 HB3 ASN 7 1HB ASN 7 10.607 0.721 2.694 50 HD21 ASN 7 1HD2 ASN 7 12.595 2.773 0.744 51 HD22 ASN 7 2HD2 ASN 7 13.382 1.520 -0.145 52 HA PRO 8 HA PRO 8 7.915 3.652 2.665 53 HB2 PRO 8 2HB PRO 8 6.003 5.461 2.062 54 HB3 PRO 8 1HB PRO 8 7.608 5.951 2.618 55 HG2 PRO 8 2HG PRO 8 6.532 5.832 -0.174 56 HG3 PRO 8 1HG PRO 8 7.477 7.115 0.601 57 HD2 PRO 8 2HD PRO 8 8.595 5.283 -1.048 58 HD3 PRO 8 1HD PRO 8 9.467 5.992 0.325 59 HA PRO 9 HA PRO 9 4.946 0.780 0.984 60 HB2 PRO 9 2HB PRO 9 3.408 0.394 3.199 61 HB3 PRO 9 1HB PRO 9 5.019 -0.307 3.018 62 HG2 PRO 9 2HG PRO 9 4.174 2.131 4.519 63 HG3 PRO 9 1HG PRO 9 5.334 0.872 4.987 64 HD2 PRO 9 2HD PRO 9 6.077 3.292 4.001 65 HD3 PRO 9 1HD PRO 9 7.032 1.817 3.757 66 H ILE 10 H ILE 10 3.184 1.078 -0.179 67 HA ILE 10 HA ILE 10 1.532 3.370 0.505 68 HB ILE 10 HB ILE 10 0.915 3.705 -1.803 69 HG12 ILE 10 2HG1 ILE 10 1.097 1.325 -2.619 70 HG13 ILE 10 1HG1 ILE 10 1.813 2.503 -3.700 71 HG21 ILE 10 1HG2 ILE 10 3.062 4.439 -2.693 72 HG22 ILE 10 2HG2 ILE 10 3.858 3.475 -1.439 73 HG23 ILE 10 3HG2 ILE 10 2.842 4.849 -0.981 74 HD11 ILE 10 1HD1 ILE 10 3.287 0.656 -1.825 75 HD12 ILE 10 2HD1 ILE 10 4.036 1.868 -2.859 76 HD13 ILE 10 3HD1 ILE 10 3.166 0.515 -3.579 77 H ALA 11 H PRG 11 -0.467 3.113 1.022 78 HA ALA 11 HA PRG 11 -1.714 0.564 0.352 79 HB1 ALA 11 1HB PRG 11 -2.767 0.477 2.516 80 HB2 ALA 11 2HB PRG 11 -2.006 1.928 3.062 81 H PHE 12 H PHE 12 -3.935 0.585 0.442 82 HA PHE 12 HA PHE 12 -5.242 3.169 0.093 83 HB2 PHE 12 2HB PHE 12 -5.733 0.581 -1.430 84 HB3 PHE 12 1HB PHE 12 -6.697 2.040 -1.589 85 HD1 PHE 12 1HD PHE 12 -3.440 0.493 -2.331 86 HD2 PHE 12 2HD PHE 12 -5.931 3.892 -2.892 87 HE1 PHE 12 1HE PHE 12 -1.955 1.282 -4.127 88 HE2 PHE 12 2HE PHE 12 -4.451 4.685 -4.682 89 HZ PHE 12 HZ PHE 12 -2.459 3.378 -5.302 90 HA PRO 13 HA PRO 13 -7.660 1.653 3.474 91 HB2 PRO 13 2HB PRO 13 -10.038 2.921 2.985 92 HB3 PRO 13 1HB PRO 13 -8.625 3.717 3.687 93 HG2 PRO 13 2HG PRO 13 -9.580 3.697 0.858 94 HG3 PRO 13 1HG PRO 13 -8.959 5.058 1.810 95 HD2 PRO 13 2HD PRO 13 -7.437 3.794 -0.001 96 HD3 PRO 13 1HD PRO 13 -6.752 4.401 1.522 97 H ASN 14 H ASN 14 -8.425 0.915 0.285 98 HA ASN 14 HA ASN 14 -10.693 -0.775 0.872 99 HB2 ASN 14 2HB ASN 14 -10.523 -1.490 -1.512 100 HB3 ASN 14 1HB ASN 14 -10.669 0.247 -1.312 101 HD21 ASN 14 1HD2 ASN 14 -9.796 0.641 -3.328 102 HD22 ASN 14 2HD2 ASN 14 -8.113 0.445 -3.663 103 H1 WMH 101 1HG AZH 3 -2.277 -2.147 3.454 104 H2 WMH 101 2HG AZH 3 -2.345 -1.304 1.957 105 H5 WMH 101 HD PRG 11 0.728 1.826 3.459 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -7.299 -1.167 0.692 2 HA2 GLY 1 2HA GLY 1 -6.434 -3.075 1.832 3 HA3 GLY 1 1HA GLY 1 -7.124 -4.090 0.574 4 H LYS 2 H LYS 2 -5.815 -1.433 -0.908 5 HA LYS 2 HA LYS 2 -3.618 -2.980 -1.892 6 HB2 LYS 2 2HB LYS 2 -4.889 -1.357 -3.316 7 HB3 LYS 2 1HB LYS 2 -4.249 -0.047 -2.344 8 HG2 LYS 2 2HG LYS 2 -3.012 -0.196 -4.408 9 HG3 LYS 2 1HG LYS 2 -1.964 -0.667 -3.071 10 HD2 LYS 2 2HD LYS 2 -2.419 -3.037 -3.581 11 HD3 LYS 2 1HD LYS 2 -3.415 -2.540 -4.945 12 HE2 LYS 2 2HE LYS 2 -1.484 -1.522 -6.016 13 HE3 LYS 2 1HE LYS 2 -0.477 -1.914 -4.621 14 HZ1 LYS 2 1HZ LYS 2 -1.765 -3.875 -6.460 15 HZ2 LYS 2 2HZ LYS 2 -0.959 -4.270 -5.060 16 HZ3 LYS 2 3HZ LYS 2 -0.111 -3.574 -6.317 17 H ALA 3 H AZH 3 -1.818 -3.227 -0.787 18 HA ALA 3 HA AZH 3 -0.732 -1.030 0.768 19 HB1 ALA 3 1HB AZH 3 -0.087 -3.065 2.378 20 HB2 ALA 3 2HB AZH 3 -1.632 -3.652 1.777 21 H LEU 4 H LEU 4 1.319 -0.791 0.584 22 HA LEU 4 HA LEU 4 2.809 -2.850 -0.867 23 HB2 LEU 4 2HB LEU 4 3.514 0.041 -0.346 24 HB3 LEU 4 1HB LEU 4 4.467 -1.088 -1.280 25 HG LEU 4 HG LEU 4 1.765 0.020 -2.010 26 HD11 LEU 4 1HD1 LEU 4 4.485 0.414 -3.239 27 HD12 LEU 4 2HD1 LEU 4 3.598 1.595 -2.281 28 HD13 LEU 4 3HD1 LEU 4 2.969 1.081 -3.846 29 HD21 LEU 4 1HD2 LEU 4 2.061 -1.179 -4.139 30 HD22 LEU 4 2HD2 LEU 4 1.926 -2.277 -2.769 31 HD23 LEU 4 3HD2 LEU 4 3.506 -1.954 -3.484 32 H PHE 5 H PHE 5 4.292 -3.978 0.199 33 HA PHE 5 HA PHE 5 4.994 -3.193 2.919 34 HB2 PHE 5 2HB PHE 5 4.506 -5.617 2.275 35 HB3 PHE 5 1HB PHE 5 5.963 -5.575 1.293 36 HD1 PHE 5 1HD PHE 5 8.154 -5.704 2.322 37 HD2 PHE 5 2HD PHE 5 4.631 -5.584 4.706 38 HE1 PHE 5 1HE PHE 5 9.462 -6.392 4.282 39 HE2 PHE 5 2HE PHE 5 5.935 -6.270 6.672 40 HZ PHE 5 HZ PHE 5 8.352 -6.674 6.464 41 H SER 6 H SER 6 5.998 -3.117 -0.280 42 HA SER 6 HA SER 6 8.769 -2.600 0.045 43 HB2 SER 6 2HB SER 6 6.902 -1.993 -2.245 44 HB3 SER 6 1HB SER 6 8.662 -2.116 -2.331 45 HG SER 6 HG SER 6 8.351 -4.289 -1.509 46 H ASN 7 H ASN 7 9.737 -0.501 -0.284 47 HA ASN 7 HA ASN 7 8.222 1.590 0.907 48 HB2 ASN 7 2HB ASN 7 10.232 2.979 0.737 49 HB3 ASN 7 1HB ASN 7 10.647 1.394 1.364 50 HD21 ASN 7 1HD2 ASN 7 12.227 3.469 -0.008 51 HD22 ASN 7 2HD2 ASN 7 12.980 2.690 -1.344 52 HA PRO 8 HA PRO 8 7.759 3.490 1.067 53 HB2 PRO 8 2HB PRO 8 5.786 5.264 0.703 54 HB3 PRO 8 1HB PRO 8 7.463 5.646 0.302 55 HG2 PRO 8 2HG PRO 8 5.198 4.966 -1.504 56 HG3 PRO 8 1HG PRO 8 6.568 6.051 -1.776 57 HD2 PRO 8 2HD PRO 8 6.329 3.407 -2.702 58 HD3 PRO 8 1HD PRO 8 7.809 4.384 -2.687 59 HA PRO 9 HA PRO 9 4.311 0.673 1.694 60 HB2 PRO 9 2HB PRO 9 4.357 1.394 4.522 61 HB3 PRO 9 1HB PRO 9 4.776 -0.149 3.770 62 HG2 PRO 9 2HG PRO 9 6.613 1.477 4.910 63 HG3 PRO 9 1HG PRO 9 6.989 0.426 3.533 64 HD2 PRO 9 2HD PRO 9 6.394 3.362 3.579 65 HD3 PRO 9 1HD PRO 9 7.629 2.465 2.665 66 H ILE 10 H ILE 10 2.874 2.028 0.623 67 HA ILE 10 HA ILE 10 1.292 3.757 2.354 68 HB ILE 10 HB ILE 10 2.211 4.908 0.388 69 HG12 ILE 10 2HG1 ILE 10 -0.768 4.495 0.043 70 HG13 ILE 10 1HG1 ILE 10 -0.029 5.551 1.239 71 HG21 ILE 10 1HG2 ILE 10 0.741 2.873 -1.276 72 HG22 ILE 10 2HG2 ILE 10 2.488 3.055 -1.126 73 HG23 ILE 10 3HG2 ILE 10 1.534 4.320 -1.901 74 HD11 ILE 10 1HD1 ILE 10 -0.842 6.799 -0.676 75 HD12 ILE 10 2HD1 ILE 10 0.190 5.844 -1.744 76 HD13 ILE 10 3HD1 ILE 10 0.914 6.913 -0.542 77 H ALA 11 H PRG 11 -0.887 3.410 2.576 78 HA ALA 11 HA PRG 11 -1.894 0.995 1.303 79 HB1 ALA 11 1HB PRG 11 -3.065 0.329 3.293 80 HB2 ALA 11 2HB PRG 11 -2.497 1.679 4.216 81 H PHE 12 H PHE 12 -3.911 0.922 0.777 82 HA PHE 12 HA PHE 12 -5.463 3.394 0.963 83 HB2 PHE 12 2HB PHE 12 -5.357 1.416 -1.338 84 HB3 PHE 12 1HB PHE 12 -6.397 2.826 -1.259 85 HD1 PHE 12 1HD PHE 12 -5.485 5.068 -1.532 86 HD2 PHE 12 2HD PHE 12 -2.995 1.630 -1.828 87 HE1 PHE 12 1HE PHE 12 -3.739 6.427 -2.592 88 HE2 PHE 12 2HE PHE 12 -1.245 2.988 -2.889 89 HZ PHE 12 HZ PHE 12 -1.616 5.389 -3.269 90 HA PRO 13 HA PRO 13 -8.481 1.054 3.212 91 HB2 PRO 13 2HB PRO 13 -10.507 2.410 1.521 92 HB3 PRO 13 1HB PRO 13 -10.387 2.312 3.281 93 HG2 PRO 13 2HG PRO 13 -9.718 4.546 2.034 94 HG3 PRO 13 1HG PRO 13 -8.755 3.955 3.399 95 HD2 PRO 13 2HD PRO 13 -8.170 3.847 0.476 96 HD3 PRO 13 1HD PRO 13 -7.079 4.142 1.847 97 H ASN 14 H ASN 14 -8.403 0.751 -0.232 98 HA ASN 14 HA ASN 14 -10.442 -1.301 -0.353 99 HB2 ASN 14 2HB ASN 14 -9.825 -1.584 -2.696 100 HB3 ASN 14 1HB ASN 14 -9.991 0.128 -2.345 101 HD21 ASN 14 1HD2 ASN 14 -8.531 -1.279 -4.438 102 HD22 ASN 14 2HD2 ASN 14 -6.902 -0.714 -4.327 103 H1 WMH 101 1HG AZH 3 -2.400 -2.369 3.634 104 H2 WMH 101 2HG AZH 3 -2.375 -1.243 2.326 105 H5 WMH 101 HD PRG 11 0.187 1.708 4.836 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -7.450 -1.149 1.058 2 HA2 GLY 1 2HA GLY 1 -7.197 -2.975 2.706 3 HA3 GLY 1 1HA GLY 1 -8.082 -3.986 1.572 4 H LYS 2 H LYS 2 -6.333 -2.238 -0.445 5 HA LYS 2 HA LYS 2 -4.349 -4.308 -0.674 6 HB2 LYS 2 2HB LYS 2 -5.476 -3.531 -2.688 7 HB3 LYS 2 1HB LYS 2 -4.929 -1.890 -2.400 8 HG2 LYS 2 2HG LYS 2 -3.612 -2.921 -4.145 9 HG3 LYS 2 1HG LYS 2 -2.602 -2.625 -2.729 10 HD2 LYS 2 2HD LYS 2 -2.888 -4.978 -2.065 11 HD3 LYS 2 1HD LYS 2 -3.837 -5.260 -3.526 12 HE2 LYS 2 2HE LYS 2 -1.908 -4.654 -4.898 13 HE3 LYS 2 1HE LYS 2 -0.963 -4.345 -3.443 14 HZ1 LYS 2 1HZ LYS 2 -2.116 -6.961 -4.230 15 HZ2 LYS 2 2HZ LYS 2 -1.211 -6.684 -2.845 16 HZ3 LYS 2 3HZ LYS 2 -0.498 -6.530 -4.366 17 H ALA 3 H AZH 3 -2.468 -4.173 0.302 18 HA ALA 3 HA AZH 3 -1.315 -1.532 0.685 19 HB1 ALA 3 1HB AZH 3 0.075 -2.970 2.483 20 HB2 ALA 3 2HB AZH 3 -1.445 -3.858 2.511 21 H LEU 4 H LEU 4 0.562 -1.052 -0.093 22 HA LEU 4 HA LEU 4 1.939 -3.133 -1.577 23 HB2 LEU 4 2HB LEU 4 1.176 -1.149 -2.796 24 HB3 LEU 4 1HB LEU 4 2.124 -0.140 -1.713 25 HG LEU 4 HG LEU 4 4.185 -1.198 -2.581 26 HD11 LEU 4 1HD1 LEU 4 3.263 -3.342 -3.257 27 HD12 LEU 4 2HD1 LEU 4 4.066 -2.558 -4.614 28 HD13 LEU 4 3HD1 LEU 4 2.307 -2.553 -4.511 29 HD21 LEU 4 1HD2 LEU 4 4.145 -0.097 -4.768 30 HD22 LEU 4 2HD2 LEU 4 3.389 0.900 -3.528 31 HD23 LEU 4 3HD2 LEU 4 2.387 0.015 -4.678 32 H PHE 5 H PHE 5 3.463 -3.987 -0.437 33 HA PHE 5 HA PHE 5 4.767 -2.490 1.667 34 HB2 PHE 5 2HB PHE 5 4.129 -4.810 2.171 35 HB3 PHE 5 1HB PHE 5 5.148 -5.390 0.859 36 HD1 PHE 5 1HD PHE 5 7.462 -5.763 1.191 37 HD2 PHE 5 2HD PHE 5 5.213 -3.666 4.139 38 HE1 PHE 5 1HE PHE 5 9.377 -5.861 2.717 39 HE2 PHE 5 2HE PHE 5 7.132 -3.765 5.669 40 HZ PHE 5 HZ PHE 5 9.220 -4.866 4.955 41 H SER 6 H SER 6 6.396 -1.287 1.269 42 HA SER 6 HA SER 6 8.710 -2.028 -0.079 43 HB2 SER 6 2HB SER 6 7.162 -1.589 -2.069 44 HB3 SER 6 1HB SER 6 6.926 0.042 -1.455 45 HG SER 6 HG SER 6 8.523 0.293 -2.880 46 H ASN 7 H ASN 7 9.730 0.478 -0.403 47 HA ASN 7 HA ASN 7 8.782 1.965 1.907 48 HB2 ASN 7 2HB ASN 7 11.098 2.758 2.427 49 HB3 ASN 7 1HB ASN 7 10.951 1.021 2.580 50 HD21 ASN 7 1HD2 ASN 7 12.084 -0.290 1.129 51 HD22 ASN 7 2HD2 ASN 7 13.349 0.307 0.138 52 HA PRO 8 HA PRO 8 7.930 3.627 2.464 53 HB2 PRO 8 2HB PRO 8 5.853 5.214 1.965 54 HB3 PRO 8 1HB PRO 8 7.475 5.890 2.163 55 HG2 PRO 8 2HG PRO 8 5.969 5.297 -0.351 56 HG3 PRO 8 1HG PRO 8 6.890 6.751 0.074 57 HD2 PRO 8 2HD PRO 8 7.858 4.712 -1.476 58 HD3 PRO 8 1HD PRO 8 8.894 5.778 -0.516 59 HA PRO 9 HA PRO 9 4.735 0.671 1.321 60 HB2 PRO 9 2HB PRO 9 3.439 0.819 3.869 61 HB3 PRO 9 1HB PRO 9 4.587 -0.402 3.324 62 HG2 PRO 9 2HG PRO 9 5.067 1.459 5.327 63 HG3 PRO 9 1HG PRO 9 6.309 0.563 4.439 64 HD2 PRO 9 2HD PRO 9 5.369 3.365 4.080 65 HD3 PRO 9 1HD PRO 9 6.989 2.662 3.878 66 H ILE 10 H ILE 10 3.218 1.396 0.000 67 HA ILE 10 HA ILE 10 1.516 3.608 0.849 68 HB ILE 10 HB ILE 10 1.772 2.316 -1.887 69 HG12 ILE 10 2HG1 ILE 10 3.856 3.442 -1.295 70 HG13 ILE 10 1HG1 ILE 10 3.011 4.357 -2.537 71 HG21 ILE 10 1HG2 ILE 10 0.558 4.282 -2.717 72 HG22 ILE 10 2HG2 ILE 10 0.380 4.863 -1.064 73 HG23 ILE 10 3HG2 ILE 10 -0.406 3.363 -1.559 74 HD11 ILE 10 1HD1 ILE 10 3.142 5.013 0.402 75 HD12 ILE 10 2HD1 ILE 10 2.204 5.898 -0.793 76 HD13 ILE 10 3HD1 ILE 10 3.961 5.862 -0.912 77 H ALA 11 H PRG 11 -0.352 3.068 1.764 78 HA ALA 11 HA PRG 11 -1.509 0.536 0.937 79 HB1 ALA 11 1HB PRG 11 -2.724 0.458 3.041 80 HB2 ALA 11 2HB PRG 11 -2.029 1.935 3.603 81 H PHE 12 H PHE 12 -3.541 0.390 0.369 82 HA PHE 12 HA PHE 12 -4.824 2.931 -0.254 83 HB2 PHE 12 2HB PHE 12 -5.228 0.218 -1.557 84 HB3 PHE 12 1HB PHE 12 -5.886 1.758 -2.106 85 HD1 PHE 12 1HD PHE 12 -3.112 -0.499 -2.267 86 HD2 PHE 12 2HD PHE 12 -4.262 3.538 -2.893 87 HE1 PHE 12 1HE PHE 12 -1.102 -0.150 -3.634 88 HE2 PHE 12 2HE PHE 12 -2.252 3.898 -4.268 89 HZ PHE 12 HZ PHE 12 -0.667 2.055 -4.636 90 HA PRO 13 HA PRO 13 -7.692 1.932 2.918 91 HB2 PRO 13 2HB PRO 13 -9.886 3.292 1.943 92 HB3 PRO 13 1HB PRO 13 -8.557 4.026 2.845 93 HG2 PRO 13 2HG PRO 13 -9.037 3.940 -0.101 94 HG3 PRO 13 1HG PRO 13 -8.407 5.260 0.895 95 HD2 PRO 13 2HD PRO 13 -6.796 3.740 -0.616 96 HD3 PRO 13 1HD PRO 13 -6.275 4.365 0.961 97 H ASN 14 H ASN 14 -8.145 0.745 -0.216 98 HA ASN 14 HA ASN 14 -10.671 -0.548 0.330 99 HB2 ASN 14 2HB ASN 14 -10.517 -1.516 -1.882 100 HB3 ASN 14 1HB ASN 14 -10.064 0.175 -1.995 101 HD21 ASN 14 1HD2 ASN 14 -9.488 -1.903 -3.847 102 HD22 ASN 14 2HD2 ASN 14 -7.776 -2.050 -3.930 103 H1 WMH 101 1HG AZH 3 -2.202 -2.159 4.002 104 H2 WMH 101 2HG AZH 3 -2.230 -1.294 2.530 105 H5 WMH 101 HD PRG 11 0.690 1.911 4.118 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.562 -1.082 0.776 2 HA2 GLY 1 2HA GLY 1 -7.256 -3.235 1.853 3 HA3 GLY 1 1HA GLY 1 -8.228 -3.946 0.575 4 H LYS 2 H LYS 2 -5.961 -1.552 -0.364 5 HA LYS 2 HA LYS 2 -4.283 -3.652 -1.529 6 HB2 LYS 2 2HB LYS 2 -5.334 -2.040 -3.107 7 HB3 LYS 2 1HB LYS 2 -4.512 -0.725 -2.290 8 HG2 LYS 2 2HG LYS 2 -2.356 -1.685 -2.951 9 HG3 LYS 2 1HG LYS 2 -3.206 -2.974 -3.807 10 HD2 LYS 2 2HD LYS 2 -4.286 -1.266 -5.235 11 HD3 LYS 2 1HD LYS 2 -3.357 -0.018 -4.406 12 HE2 LYS 2 2HE LYS 2 -2.189 -2.319 -5.977 13 HE3 LYS 2 1HE LYS 2 -2.354 -0.670 -6.567 14 HZ1 LYS 2 1HZ LYS 2 -0.796 0.055 -4.851 15 HZ2 LYS 2 2HZ LYS 2 -0.103 -1.184 -5.759 16 HZ3 LYS 2 3HZ LYS 2 -0.713 -1.507 -4.239 17 H ALA 3 H AZH 3 -2.451 -4.045 -0.473 18 HA ALA 3 HA AZH 3 -0.908 -1.839 0.594 19 HB1 ALA 3 1HB AZH 3 -0.320 -3.694 2.445 20 HB2 ALA 3 2HB AZH 3 -1.997 -4.113 2.119 21 H LEU 4 H LEU 4 1.097 -1.881 0.160 22 HA LEU 4 HA LEU 4 2.408 -4.362 -0.629 23 HB2 LEU 4 2HB LEU 4 1.917 -2.975 -2.629 24 HB3 LEU 4 1HB LEU 4 2.722 -1.618 -1.870 25 HG LEU 4 HG LEU 4 4.851 -2.898 -1.944 26 HD11 LEU 4 1HD1 LEU 4 3.247 -4.859 -3.568 27 HD12 LEU 4 2HD1 LEU 4 3.945 -5.150 -1.976 28 HD13 LEU 4 3HD1 LEU 4 4.997 -4.876 -3.363 29 HD21 LEU 4 1HD2 LEU 4 3.449 -2.509 -4.583 30 HD22 LEU 4 2HD2 LEU 4 5.193 -2.644 -4.358 31 HD23 LEU 4 3HD2 LEU 4 4.318 -1.275 -3.672 32 H PHE 5 H PHE 5 4.207 -4.626 0.616 33 HA PHE 5 HA PHE 5 4.946 -2.354 2.246 34 HB2 PHE 5 2HB PHE 5 4.619 -4.573 3.375 35 HB3 PHE 5 1HB PHE 5 5.998 -5.191 2.476 36 HD1 PHE 5 1HD PHE 5 5.065 -2.429 4.802 37 HD2 PHE 5 2HD PHE 5 8.103 -5.082 3.445 38 HE1 PHE 5 1HE PHE 5 6.567 -1.608 6.573 39 HE2 PHE 5 2HE PHE 5 9.609 -4.269 5.214 40 HZ PHE 5 HZ PHE 5 8.841 -2.528 6.778 41 H SER 6 H SER 6 5.714 -1.211 0.516 42 HA SER 6 HA SER 6 8.363 -1.954 -0.413 43 HB2 SER 6 2HB SER 6 7.736 -0.286 -2.225 44 HB3 SER 6 1HB SER 6 6.824 -1.796 -2.228 45 HG SER 6 HG SER 6 5.720 0.452 -2.289 46 H ASN 7 H ASN 7 9.297 0.529 -1.110 47 HA ASN 7 HA ASN 7 8.881 2.160 1.284 48 HB2 ASN 7 2HB ASN 7 11.173 1.243 1.242 49 HB3 ASN 7 1HB ASN 7 11.415 1.909 -0.369 50 HD21 ASN 7 1HD2 ASN 7 11.136 2.645 2.999 51 HD22 ASN 7 2HD2 ASN 7 11.751 4.250 2.932 52 HA PRO 8 HA PRO 8 8.173 3.840 1.940 53 HB2 PRO 8 2HB PRO 8 6.054 5.503 1.885 54 HB3 PRO 8 1HB PRO 8 7.711 6.114 1.797 55 HG2 PRO 8 2HG PRO 8 5.734 5.675 -0.409 56 HG3 PRO 8 1HG PRO 8 6.818 7.051 -0.145 57 HD2 PRO 8 2HD PRO 8 7.349 5.029 -1.900 58 HD3 PRO 8 1HD PRO 8 8.611 5.967 -1.082 59 HA PRO 9 HA PRO 9 4.890 0.773 1.689 60 HB2 PRO 9 2HB PRO 9 4.032 1.562 4.401 61 HB3 PRO 9 1HB PRO 9 4.668 0.013 3.847 62 HG2 PRO 9 2HG PRO 9 6.116 1.655 5.411 63 HG3 PRO 9 1HG PRO 9 6.866 0.647 4.163 64 HD2 PRO 9 2HD PRO 9 6.225 3.570 4.109 65 HD3 PRO 9 1HD PRO 9 7.656 2.708 3.499 66 H ILE 10 H ILE 10 3.241 1.325 0.417 67 HA ILE 10 HA ILE 10 1.490 3.505 1.286 68 HB ILE 10 HB ILE 10 2.023 2.527 -1.537 69 HG12 ILE 10 2HG1 ILE 10 3.857 3.880 -0.649 70 HG13 ILE 10 1HG1 ILE 10 2.997 4.764 -1.903 71 HG21 ILE 10 1HG2 ILE 10 0.204 4.750 -0.615 72 HG22 ILE 10 2HG2 ILE 10 -0.305 3.212 -1.308 73 HG23 ILE 10 3HG2 ILE 10 0.589 4.369 -2.294 74 HD11 ILE 10 1HD1 ILE 10 1.829 6.047 -0.151 75 HD12 ILE 10 2HD1 ILE 10 3.579 6.230 -0.073 76 HD13 ILE 10 3HD1 ILE 10 2.756 5.183 1.077 77 H ALA 11 H PRG 11 -0.391 2.935 1.991 78 HA ALA 11 HA PRG 11 -1.623 0.493 0.956 79 HB1 ALA 11 1HB PRG 11 -2.698 0.184 3.111 80 HB2 ALA 11 2HB PRG 11 -1.878 1.550 3.801 81 H PHE 12 H PHE 12 -3.788 0.540 0.685 82 HA PHE 12 HA PHE 12 -5.034 3.200 0.647 83 HB2 PHE 12 2HB PHE 12 -5.418 0.916 -1.305 84 HB3 PHE 12 1HB PHE 12 -6.299 2.433 -1.333 85 HD1 PHE 12 1HD PHE 12 -5.298 4.428 -2.183 86 HD2 PHE 12 2HD PHE 12 -3.066 0.818 -1.960 87 HE1 PHE 12 1HE PHE 12 -3.581 5.397 -3.657 88 HE2 PHE 12 2HE PHE 12 -1.356 1.777 -3.423 89 HZ PHE 12 HZ PHE 12 -1.610 4.066 -4.278 90 HA PRO 13 HA PRO 13 -8.049 1.301 3.301 91 HB2 PRO 13 2HB PRO 13 -10.141 2.990 2.857 92 HB3 PRO 13 1HB PRO 13 -8.752 3.408 3.863 93 HG2 PRO 13 2HG PRO 13 -9.319 4.136 1.017 94 HG3 PRO 13 1HG PRO 13 -8.664 5.142 2.319 95 HD2 PRO 13 2HD PRO 13 -7.099 4.057 0.416 96 HD3 PRO 13 1HD PRO 13 -6.537 4.288 2.084 97 H ASN 14 H ASN 14 -8.079 0.916 0.128 98 HA ASN 14 HA ASN 14 -10.718 -0.275 -0.037 99 HB2 ASN 14 2HB ASN 14 -10.181 -0.705 -2.448 100 HB3 ASN 14 1HB ASN 14 -10.090 0.992 -2.018 101 HD21 ASN 14 1HD2 ASN 14 -8.768 1.516 -3.700 102 HD22 ASN 14 2HD2 ASN 14 -7.126 1.014 -3.844 103 H1 WMH 101 1HG AZH 3 -2.339 -2.488 3.808 104 H2 WMH 101 2HG AZH 3 -2.332 -1.577 2.344 105 H5 WMH 101 HD PRG 11 0.879 1.313 4.052
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