NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592916 | 2n16 | 25548 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.916 0.944 -1.739 3 HB2 SER 1 HB2 SER 1 4.154 0.255 -1.779 4 HB3 SER 1 HB3 SER 1 3.828 0.433 -0.056 5 HG SER 1 HG SER 1 3.614 -1.780 0.113 6 H MET 2 H MET 2 2.705 -0.368 -3.672 7 HA MET 2 HA MET 2 0.679 -2.139 -4.466 8 HB2 MET 2 HB2 MET 2 2.254 -0.727 -5.920 9 HB3 MET 2 HB3 MET 2 3.409 -2.039 -5.732 10 HG2 MET 2 HG2 MET 2 2.348 -2.464 -7.762 11 HG3 MET 2 HG3 MET 2 1.585 -3.566 -6.618 12 HE1 MET 2 HE1 MET 2 0.024 -2.214 -9.681 13 HE2 MET 2 HE2 MET 2 0.258 -3.722 -8.796 14 HE3 MET 2 HE3 MET 2 -1.341 -2.978 -8.866 15 H HIS 3 H HIS 3 0.346 -4.146 -3.796 16 HA HIS 3 HA HIS 3 2.494 -5.690 -2.616 17 HB2 HIS 3 HB2 HIS 3 -0.470 -5.903 -2.752 18 HB3 HIS 3 HB3 HIS 3 0.436 -7.398 -2.541 19 HD1 HIS 3 HD1 HIS 3 1.108 -4.008 -0.964 20 HD2 HIS 3 HD2 HIS 3 0.129 -7.900 0.109 21 HE1 HIS 3 HE1 HIS 3 1.174 -4.049 1.550 22 HA PRO 4 HA PRO 4 3.469 -8.274 -6.023 23 HB2 PRO 4 HB2 PRO 4 3.758 -10.708 -4.853 24 HB3 PRO 4 HB3 PRO 4 4.921 -9.394 -4.639 25 HG2 PRO 4 HG2 PRO 4 2.713 -10.284 -2.824 26 HG3 PRO 4 HG3 PRO 4 4.376 -9.820 -2.419 27 HD2 PRO 4 HD2 PRO 4 2.276 -8.139 -2.104 28 HD3 PRO 4 HD3 PRO 4 3.904 -7.566 -2.519 29 H GLY 5 H GLY 5 1.156 -7.895 -6.780 30 HA2 GLY 5 HA2 GLY 5 -0.565 -10.243 -6.466 31 HA3 GLY 5 HA3 GLY 5 -1.029 -8.708 -7.184 32 H HIS 6 H HIS 6 1.355 -8.593 -8.886 33 HA HIS 6 HA HIS 6 0.304 -10.049 -11.109 34 HB2 HIS 6 HB2 HIS 6 1.371 -7.836 -11.360 35 HB3 HIS 6 HB3 HIS 6 2.910 -8.532 -10.863 36 HD1 HIS 6 HD1 HIS 6 0.879 -10.637 -13.108 37 HD2 HIS 6 HD2 HIS 6 3.873 -7.777 -13.455 38 HE1 HIS 6 HE1 HIS 6 1.741 -10.848 -15.461 39 H LEU 7 H LEU 7 3.023 -10.452 -8.920 40 HA LEU 7 HA LEU 7 4.093 -12.692 -10.403 41 HB2 LEU 7 HB2 LEU 7 5.702 -12.847 -8.546 42 HB3 LEU 7 HB3 LEU 7 5.639 -11.242 -9.272 43 HG LEU 7 HG LEU 7 3.845 -11.265 -7.074 44 HD11 LEU 7 HD11 LEU 7 6.240 -12.891 -6.663 45 HD12 LEU 7 HD12 LEU 7 4.755 -12.793 -5.718 46 HD13 LEU 7 HD13 LEU 7 6.031 -11.600 -5.480 47 HD21 LEU 7 HD21 LEU 7 5.982 -9.786 -6.279 48 HD22 LEU 7 HD22 LEU 7 4.704 -9.210 -7.351 49 HD23 LEU 7 HD23 LEU 7 6.215 -9.823 -8.027 50 H LYS 8 H LYS 8 1.639 -12.228 -8.148 51 HA LYS 8 HA LYS 8 1.622 -14.245 -6.370 52 HB2 LYS 8 HB2 LYS 8 -0.736 -14.217 -6.404 53 HB3 LYS 8 HB3 LYS 8 -0.253 -12.606 -6.918 54 HG2 LYS 8 HG2 LYS 8 -1.821 -13.006 -8.496 55 HG3 LYS 8 HG3 LYS 8 -0.443 -13.745 -9.315 56 HD2 LYS 8 HD2 LYS 8 -1.212 -15.865 -8.986 57 HD3 LYS 8 HD3 LYS 8 -2.011 -15.456 -7.466 58 HE2 LYS 8 HE2 LYS 8 -3.755 -15.892 -8.978 59 HE3 LYS 8 HE3 LYS 8 -3.666 -14.135 -8.875 60 HZ1 LYS 8 HZ1 LYS 8 -2.131 -14.382 -10.914 61 HZ2 LYS 8 HZ2 LYS 8 -3.804 -14.504 -11.129 62 HZ3 LYS 8 HZ3 LYS 8 -2.852 -15.902 -11.084 63 H GLY 9 H GLY 9 1.309 -14.590 -9.842 64 HA2 GLY 9 HA2 GLY 9 0.423 -17.263 -9.919 65 HA3 GLY 9 HA3 GLY 9 1.290 -16.437 -11.204 66 H ARG 10 H ARG 10 3.115 -17.393 -11.771 67 HA ARG 10 HA ARG 10 4.353 -19.335 -10.023 68 HB2 ARG 10 HB2 ARG 10 4.103 -19.782 -12.434 69 HB3 ARG 10 HB3 ARG 10 5.148 -18.414 -12.790 70 HG2 ARG 10 HG2 ARG 10 6.672 -20.086 -12.937 71 HG3 ARG 10 HG3 ARG 10 6.807 -19.739 -11.212 72 HD2 ARG 10 HD2 ARG 10 5.439 -21.589 -10.643 73 HD3 ARG 10 HD3 ARG 10 4.938 -21.820 -12.318 74 HE ARG 10 HE ARG 10 6.884 -22.974 -12.714 75 HH11 ARG 10 HH11 ARG 10 7.100 -21.338 -9.649 76 HH12 ARG 10 HH12 ARG 10 8.564 -22.136 -9.178 77 HH21 ARG 10 HH21 ARG 10 8.811 -24.032 -12.105 78 HH22 ARG 10 HH22 ARG 10 9.537 -23.668 -10.576 79 H GLU 11 H GLU 11 5.020 -16.115 -11.240 80 HA GLU 11 HA GLU 11 7.713 -15.875 -10.615 81 HB2 GLU 11 HB2 GLU 11 5.449 -14.000 -10.952 82 HB3 GLU 11 HB3 GLU 11 6.833 -13.379 -10.063 83 HG2 GLU 11 HG2 GLU 11 6.841 -12.927 -12.523 84 HG3 GLU 11 HG3 GLU 11 8.285 -13.720 -11.895 85 H ILE 12 H ILE 12 4.996 -16.121 -8.528 86 HA ILE 12 HA ILE 12 5.744 -14.781 -6.250 87 HB ILE 12 HB ILE 12 3.622 -16.055 -6.540 88 HG12 ILE 12 HG12 ILE 12 5.085 -16.844 -4.018 89 HG13 ILE 12 HG13 ILE 12 4.498 -15.212 -4.321 90 HG21 ILE 12 HG21 ILE 12 4.982 -18.140 -7.302 91 HG22 ILE 12 HG22 ILE 12 5.035 -18.502 -5.578 92 HG23 ILE 12 HG23 ILE 12 3.482 -18.353 -6.399 93 HD11 ILE 12 HD11 ILE 12 2.579 -17.464 -4.557 94 HD12 ILE 12 HD12 ILE 12 3.089 -16.949 -2.949 95 HD13 ILE 12 HD13 ILE 12 2.317 -15.799 -4.039 96 H GLY 13 H GLY 13 7.180 -17.609 -7.645 97 HA2 GLY 13 HA2 GLY 13 8.428 -18.802 -5.483 98 HA3 GLY 13 HA3 GLY 13 9.100 -18.750 -7.106 99 H MET 14 H MET 14 9.336 -15.865 -7.194 100 HA MET 14 HA MET 14 11.864 -15.639 -5.832 101 HB2 MET 14 HB2 MET 14 10.334 -13.951 -7.773 102 HB3 MET 14 HB3 MET 14 11.665 -13.237 -6.872 103 HG2 MET 14 HG2 MET 14 12.081 -15.799 -8.338 104 HG3 MET 14 HG3 MET 14 12.070 -14.274 -9.219 105 HE1 MET 14 HE1 MET 14 15.811 -15.439 -8.911 106 HE2 MET 14 HE2 MET 14 14.777 -16.655 -8.160 107 HE3 MET 14 HE3 MET 14 14.277 -15.878 -9.663 108 H TRP 15 H TRP 15 8.607 -14.692 -5.249 109 HA TRP 15 HA TRP 15 8.829 -12.429 -3.703 110 HB2 TRP 15 HB2 TRP 15 6.701 -13.596 -4.348 111 HB3 TRP 15 HB3 TRP 15 7.014 -14.761 -3.065 112 HD1 TRP 15 HD1 TRP 15 7.769 -11.089 -2.409 113 HE1 TRP 15 HE1 TRP 15 6.087 -10.188 -0.681 114 HE3 TRP 15 HE3 TRP 15 4.594 -15.091 -2.201 115 HZ2 TRP 15 HZ2 TRP 15 3.728 -11.059 0.601 116 HZ3 TRP 15 HZ3 TRP 15 2.649 -14.977 -0.699 117 HH2 TRP 15 HH2 TRP 15 2.227 -13.002 0.673 118 H TYR 16 H TYR 16 8.738 -15.746 -2.383 119 HA TYR 16 HA TYR 16 9.394 -15.140 0.227 120 HB2 TYR 16 HB2 TYR 16 8.911 -17.444 -1.144 121 HB3 TYR 16 HB3 TYR 16 10.628 -17.615 -0.798 122 HD1 TYR 16 HD1 TYR 16 7.559 -16.493 1.032 123 HD2 TYR 16 HD2 TYR 16 11.131 -18.803 1.104 124 HE1 TYR 16 HE1 TYR 16 7.018 -17.247 3.310 125 HE2 TYR 16 HE2 TYR 16 10.599 -19.565 3.382 126 HH TYR 16 HH TYR 16 9.257 -18.799 5.312 127 H ALA 17 H ALA 17 11.641 -16.108 -2.366 128 HA ALA 17 HA ALA 17 14.015 -15.917 -0.959 129 HB1 ALA 17 HB1 ALA 17 13.530 -16.694 -3.391 130 HB2 ALA 17 HB2 ALA 17 13.894 -15.019 -3.806 131 HB3 ALA 17 HB3 ALA 17 15.105 -16.009 -2.992 132 H LYS 18 H LYS 18 12.046 -13.381 -2.354 133 HA LYS 18 HA LYS 18 12.120 -11.114 -2.197 134 HB2 LYS 18 HB2 LYS 18 12.543 -11.908 0.276 135 HB3 LYS 18 HB3 LYS 18 14.159 -11.278 -0.013 136 HG2 LYS 18 HG2 LYS 18 13.301 -9.089 -0.447 137 HG3 LYS 18 HG3 LYS 18 11.639 -9.680 -0.400 138 HD2 LYS 18 HD2 LYS 18 13.529 -9.852 1.941 139 HD3 LYS 18 HD3 LYS 18 12.427 -8.498 1.679 140 HE2 LYS 18 HE2 LYS 18 10.633 -10.398 1.487 141 HE3 LYS 18 HE3 LYS 18 11.825 -11.335 2.387 142 HZ1 LYS 18 HZ1 LYS 18 9.987 -9.819 3.548 143 HZ2 LYS 18 HZ2 LYS 18 11.233 -8.682 3.419 144 HZ3 LYS 18 HZ3 LYS 18 11.495 -10.133 4.248 145 H LYS 19 H LYS 19 13.682 -12.119 -4.167 146 HA LYS 19 HA LYS 19 16.223 -10.652 -3.996 147 HB2 LYS 19 HB2 LYS 19 15.928 -13.191 -4.717 148 HB3 LYS 19 HB3 LYS 19 15.594 -12.461 -6.282 149 HG2 LYS 19 HG2 LYS 19 17.738 -11.492 -6.403 150 HG3 LYS 19 HG3 LYS 19 18.060 -11.811 -4.697 151 HD2 LYS 19 HD2 LYS 19 18.204 -14.162 -5.089 152 HD3 LYS 19 HD3 LYS 19 17.618 -13.978 -6.744 153 HE2 LYS 19 HE2 LYS 19 20.233 -12.963 -5.636 154 HE3 LYS 19 HE3 LYS 19 20.018 -14.321 -6.738 155 HZ1 LYS 19 HZ1 LYS 19 20.229 -12.883 -8.391 156 HZ2 LYS 19 HZ2 LYS 19 20.234 -11.562 -7.334 157 HZ3 LYS 19 HZ3 LYS 19 18.769 -12.165 -7.927 158 H GLN 20 H GLN 20 16.939 -9.720 -6.177 159 HA GLN 20 HA GLN 20 15.273 -7.628 -6.895 160 HB2 GLN 20 HB2 GLN 20 17.667 -7.607 -7.343 161 HB3 GLN 20 HB3 GLN 20 17.484 -8.911 -8.508 162 HG2 GLN 20 HG2 GLN 20 15.944 -6.402 -8.920 163 HG3 GLN 20 HG3 GLN 20 17.671 -6.412 -9.274 164 HE21 GLN 20 HE12 GLN 20 18.285 -8.558 -10.497 165 HE22 GLN 20 HE22 GLN 20 17.309 -8.879 -11.886 Start of MODEL 2 1 H1 SER 1 H SER 1 -0.605 -1.659 -9.620 2 HA SER 1 HA SER 1 -1.056 -2.823 -7.234 3 HB2 SER 1 HB2 SER 1 -0.721 -3.930 -9.531 4 HB3 SER 1 HB3 SER 1 0.986 -4.028 -9.096 5 HG SER 1 HG SER 1 -1.141 -5.080 -7.538 6 H MET 2 H MET 2 -0.119 -2.749 -5.312 7 HA MET 2 HA MET 2 2.677 -1.942 -5.103 8 HB2 MET 2 HB2 MET 2 0.384 -2.074 -3.170 9 HB3 MET 2 HB3 MET 2 2.037 -1.952 -2.583 10 HG2 MET 2 HG2 MET 2 1.063 -0.018 -4.630 11 HG3 MET 2 HG3 MET 2 0.595 0.185 -2.943 12 HE1 MET 2 HE1 MET 2 3.484 1.719 -1.262 13 HE2 MET 2 HE2 MET 2 1.924 2.236 -1.903 14 HE3 MET 2 HE3 MET 2 2.061 0.698 -1.050 15 H HIS 3 H HIS 3 0.570 -4.427 -3.645 16 HA HIS 3 HA HIS 3 2.786 -5.977 -2.718 17 HB2 HIS 3 HB2 HIS 3 -0.172 -6.229 -2.698 18 HB3 HIS 3 HB3 HIS 3 0.749 -7.724 -2.567 19 HD1 HIS 3 HD1 HIS 3 -0.844 -5.472 -0.455 20 HD2 HIS 3 HD2 HIS 3 2.952 -7.161 -0.429 21 HE1 HIS 3 HE1 HIS 3 -0.038 -5.277 1.919 22 HA PRO 4 HA PRO 4 3.659 -8.556 -6.157 23 HB2 PRO 4 HB2 PRO 4 4.053 -10.977 -4.993 24 HB3 PRO 4 HB3 PRO 4 5.197 -9.639 -4.837 25 HG2 PRO 4 HG2 PRO 4 3.092 -10.566 -2.920 26 HG3 PRO 4 HG3 PRO 4 4.762 -10.065 -2.592 27 HD2 PRO 4 HD2 PRO 4 2.643 -8.428 -2.188 28 HD3 PRO 4 HD3 PRO 4 4.238 -7.822 -2.679 29 H GLY 5 H GLY 5 1.345 -8.252 -6.867 30 HA2 GLY 5 HA2 GLY 5 -0.348 -10.600 -6.426 31 HA3 GLY 5 HA3 GLY 5 -0.842 -9.095 -7.189 32 H HIS 6 H HIS 6 1.512 -9.038 -8.946 33 HA HIS 6 HA HIS 6 0.413 -10.587 -11.087 34 HB2 HIS 6 HB2 HIS 6 1.619 -8.297 -11.202 35 HB3 HIS 6 HB3 HIS 6 3.102 -9.246 -11.177 36 HD1 HIS 6 HD1 HIS 6 3.865 -10.205 -13.356 37 HD2 HIS 6 HD2 HIS 6 -0.066 -8.870 -13.503 38 HE1 HIS 6 HE1 HIS 6 3.188 -10.374 -15.772 39 H LEU 7 H LEU 7 3.232 -10.841 -8.993 40 HA LEU 7 HA LEU 7 4.262 -13.145 -10.404 41 HB2 LEU 7 HB2 LEU 7 5.951 -13.181 -8.600 42 HB3 LEU 7 HB3 LEU 7 5.852 -11.637 -9.444 43 HG LEU 7 HG LEU 7 4.152 -11.451 -7.197 44 HD11 LEU 7 HD11 LEU 7 6.326 -11.752 -5.608 45 HD12 LEU 7 HD12 LEU 7 6.527 -13.107 -6.719 46 HD13 LEU 7 HD13 LEU 7 5.042 -12.948 -5.782 47 HD21 LEU 7 HD21 LEU 7 5.932 -9.896 -8.517 48 HD22 LEU 7 HD22 LEU 7 6.828 -10.243 -7.037 49 HD23 LEU 7 HD23 LEU 7 5.233 -9.495 -6.948 50 H LYS 8 H LYS 8 1.914 -12.590 -8.059 51 HA LYS 8 HA LYS 8 2.013 -14.502 -6.174 52 HB2 LYS 8 HB2 LYS 8 -0.345 -14.516 -6.102 53 HB3 LYS 8 HB3 LYS 8 0.085 -12.928 -6.724 54 HG2 LYS 8 HG2 LYS 8 -1.543 -13.438 -8.205 55 HG3 LYS 8 HG3 LYS 8 -0.190 -14.200 -9.044 56 HD2 LYS 8 HD2 LYS 8 -0.915 -16.306 -8.583 57 HD3 LYS 8 HD3 LYS 8 -1.627 -15.839 -7.037 58 HE2 LYS 8 HE2 LYS 8 -3.442 -16.384 -8.439 59 HE3 LYS 8 HE3 LYS 8 -3.397 -14.622 -8.381 60 HZ1 LYS 8 HZ1 LYS 8 -1.958 -15.995 -10.536 61 HZ2 LYS 8 HZ2 LYS 8 -2.702 -14.476 -10.536 62 HZ3 LYS 8 HZ3 LYS 8 -3.643 -15.879 -10.639 63 H GLY 9 H GLY 9 1.546 -15.052 -9.602 64 HA2 GLY 9 HA2 GLY 9 0.704 -17.737 -9.489 65 HA3 GLY 9 HA3 GLY 9 1.507 -16.974 -10.855 66 H ARG 10 H ARG 10 3.337 -17.913 -11.437 67 HA ARG 10 HA ARG 10 4.665 -19.751 -9.643 68 HB2 ARG 10 HB2 ARG 10 4.631 -19.226 -12.522 69 HB3 ARG 10 HB3 ARG 10 6.236 -19.590 -11.902 70 HG2 ARG 10 HG2 ARG 10 5.459 -21.676 -12.470 71 HG3 ARG 10 HG3 ARG 10 5.050 -21.596 -10.755 72 HD2 ARG 10 HD2 ARG 10 3.142 -22.455 -11.863 73 HD3 ARG 10 HD3 ARG 10 2.772 -20.781 -11.452 74 HE ARG 10 HE ARG 10 3.826 -20.810 -14.031 75 HH11 ARG 10 HH11 ARG 10 1.020 -21.974 -12.330 76 HH12 ARG 10 HH12 ARG 10 -0.015 -21.893 -13.717 77 HH21 ARG 10 HH21 ARG 10 2.473 -20.699 -15.864 78 HH22 ARG 10 HH22 ARG 10 0.812 -21.169 -15.727 79 H GLU 11 H GLU 11 5.250 -16.591 -11.056 80 HA GLU 11 HA GLU 11 7.954 -16.283 -10.518 81 HB2 GLU 11 HB2 GLU 11 5.654 -14.446 -10.870 82 HB3 GLU 11 HB3 GLU 11 7.080 -13.771 -10.095 83 HG2 GLU 11 HG2 GLU 11 6.992 -13.445 -12.554 84 HG3 GLU 11 HG3 GLU 11 8.441 -14.269 -11.981 85 H ILE 12 H ILE 12 5.298 -16.444 -8.345 86 HA ILE 12 HA ILE 12 6.088 -14.969 -6.168 87 HB ILE 12 HB ILE 12 3.978 -16.275 -6.314 88 HG12 ILE 12 HG12 ILE 12 5.445 -17.043 -3.800 89 HG13 ILE 12 HG13 ILE 12 5.055 -15.363 -4.152 90 HG21 ILE 12 HG21 ILE 12 5.503 -18.661 -5.339 91 HG22 ILE 12 HG22 ILE 12 3.872 -18.577 -6.005 92 HG23 ILE 12 HG23 ILE 12 5.268 -18.377 -7.064 93 HD11 ILE 12 HD11 ILE 12 2.897 -15.633 -3.637 94 HD12 ILE 12 HD12 ILE 12 2.804 -17.218 -4.407 95 HD13 ILE 12 HD13 ILE 12 3.465 -17.065 -2.779 96 H GLY 13 H GLY 13 7.527 -17.855 -7.439 97 HA2 GLY 13 HA2 GLY 13 8.854 -18.901 -5.250 98 HA3 GLY 13 HA3 GLY 13 9.478 -18.936 -6.892 99 H MET 14 H MET 14 9.671 -16.061 -7.158 100 HA MET 14 HA MET 14 12.233 -15.721 -5.885 101 HB2 MET 14 HB2 MET 14 10.616 -13.997 -7.758 102 HB3 MET 14 HB3 MET 14 12.160 -13.484 -7.090 103 HG2 MET 14 HG2 MET 14 11.958 -16.096 -8.515 104 HG3 MET 14 HG3 MET 14 12.048 -14.595 -9.434 105 HE1 MET 14 HE1 MET 14 13.928 -12.929 -9.354 106 HE2 MET 14 HE2 MET 14 14.072 -12.773 -7.603 107 HE3 MET 14 HE3 MET 14 15.494 -13.156 -8.575 108 H TRP 15 H TRP 15 8.979 -14.781 -5.268 109 HA TRP 15 HA TRP 15 9.214 -12.426 -3.867 110 HB2 TRP 15 HB2 TRP 15 7.077 -13.606 -4.373 111 HB3 TRP 15 HB3 TRP 15 7.444 -14.753 -3.087 112 HD1 TRP 15 HD1 TRP 15 8.166 -11.050 -2.539 113 HE1 TRP 15 HE1 TRP 15 6.551 -10.145 -0.750 114 HE3 TRP 15 HE3 TRP 15 5.097 -15.114 -2.087 115 HZ2 TRP 15 HZ2 TRP 15 4.278 -11.037 0.666 116 HZ3 TRP 15 HZ3 TRP 15 3.226 -15.007 -0.492 117 HH2 TRP 15 HH2 TRP 15 2.827 -13.011 0.855 118 H TYR 16 H TYR 16 9.201 -15.659 -2.349 119 HA TYR 16 HA TYR 16 9.919 -14.890 0.201 120 HB2 TYR 16 HB2 TYR 16 9.412 -17.273 -0.995 121 HB3 TYR 16 HB3 TYR 16 11.147 -17.409 -0.734 122 HD1 TYR 16 HD1 TYR 16 8.141 -16.257 1.177 123 HD2 TYR 16 HD2 TYR 16 11.794 -18.437 1.219 124 HE1 TYR 16 HE1 TYR 16 7.732 -16.884 3.519 125 HE2 TYR 16 HE2 TYR 16 11.395 -19.071 3.562 126 HH TYR 16 HH TYR 16 9.926 -17.895 5.561 127 H ALA 17 H ALA 17 12.088 -15.908 -2.433 128 HA ALA 17 HA ALA 17 14.509 -15.649 -1.107 129 HB1 ALA 17 HB1 ALA 17 13.970 -16.531 -3.483 130 HB2 ALA 17 HB2 ALA 17 14.259 -14.864 -3.983 131 HB3 ALA 17 HB3 ALA 17 15.535 -15.777 -3.178 132 H LYS 18 H LYS 18 12.531 -13.190 -2.673 133 HA LYS 18 HA LYS 18 12.625 -10.917 -2.684 134 HB2 LYS 18 HB2 LYS 18 12.888 -11.646 -0.110 135 HB3 LYS 18 HB3 LYS 18 14.422 -10.813 -0.324 136 HG2 LYS 18 HG2 LYS 18 12.006 -9.416 -1.296 137 HG3 LYS 18 HG3 LYS 18 12.190 -9.581 0.452 138 HD2 LYS 18 HD2 LYS 18 14.643 -8.759 -0.082 139 HD3 LYS 18 HD3 LYS 18 13.855 -8.079 -1.508 140 HE2 LYS 18 HE2 LYS 18 12.675 -7.638 1.202 141 HE3 LYS 18 HE3 LYS 18 14.051 -6.669 0.679 142 HZ1 LYS 18 HZ1 LYS 18 12.527 -6.398 -1.439 143 HZ2 LYS 18 HZ2 LYS 18 12.371 -5.383 -0.095 144 HZ3 LYS 18 HZ3 LYS 18 11.302 -6.677 -0.306 145 H LYS 19 H LYS 19 14.741 -12.475 -4.026 146 HA LYS 19 HA LYS 19 17.270 -11.344 -3.759 147 HB2 LYS 19 HB2 LYS 19 15.874 -12.482 -6.182 148 HB3 LYS 19 HB3 LYS 19 17.571 -12.021 -6.174 149 HG2 LYS 19 HG2 LYS 19 17.873 -13.619 -4.247 150 HG3 LYS 19 HG3 LYS 19 16.240 -14.197 -4.587 151 HD2 LYS 19 HD2 LYS 19 17.411 -15.670 -5.870 152 HD3 LYS 19 HD3 LYS 19 17.234 -14.367 -7.048 153 HE2 LYS 19 HE2 LYS 19 19.438 -13.559 -6.577 154 HE3 LYS 19 HE3 LYS 19 19.611 -14.671 -5.220 155 HZ1 LYS 19 HZ1 LYS 19 20.094 -16.384 -6.572 156 HZ2 LYS 19 HZ2 LYS 19 20.550 -15.168 -7.655 157 HZ3 LYS 19 HZ3 LYS 19 19.027 -15.891 -7.789 158 H GLN 20 H GLN 20 18.304 -10.031 -5.637 159 HA GLN 20 HA GLN 20 16.589 -7.984 -6.749 160 HB2 GLN 20 HB2 GLN 20 18.447 -7.480 -4.468 161 HB3 GLN 20 HB3 GLN 20 18.281 -6.241 -5.705 162 HG2 GLN 20 HG2 GLN 20 15.822 -6.286 -5.322 163 HG3 GLN 20 HG3 GLN 20 16.105 -7.383 -3.972 164 HE21 GLN 20 HE12 GLN 20 14.836 -5.269 -3.237 165 HE22 GLN 20 HE22 GLN 20 15.845 -4.100 -2.462 Start of MODEL 3 1 H1 SER 1 H SER 1 3.830 2.099 -5.917 2 HA SER 1 HA SER 1 4.818 -0.099 -7.424 3 HB2 SER 1 HB2 SER 1 6.917 0.170 -6.397 4 HB3 SER 1 HB3 SER 1 6.203 0.602 -4.843 5 HG SER 1 HG SER 1 6.891 -1.493 -4.676 6 H MET 2 H MET 2 3.943 -2.100 -6.747 7 HA MET 2 HA MET 2 2.035 -1.971 -4.518 8 HB2 MET 2 HB2 MET 2 0.353 -3.143 -5.865 9 HB3 MET 2 HB3 MET 2 0.768 -1.586 -6.570 10 HG2 MET 2 HG2 MET 2 1.826 -2.524 -8.371 11 HG3 MET 2 HG3 MET 2 2.201 -4.016 -7.510 12 HE1 MET 2 HE1 MET 2 -0.560 -3.966 -10.729 13 HE2 MET 2 HE2 MET 2 -0.338 -2.353 -10.051 14 HE3 MET 2 HE3 MET 2 1.066 -3.352 -10.428 15 H HIS 3 H HIS 3 1.593 -3.948 -3.497 16 HA HIS 3 HA HIS 3 3.689 -5.718 -3.195 17 HB2 HIS 3 HB2 HIS 3 0.821 -5.718 -2.464 18 HB3 HIS 3 HB3 HIS 3 1.614 -7.291 -2.467 19 HD1 HIS 3 HD1 HIS 3 3.451 -4.189 -1.436 20 HD2 HIS 3 HD2 HIS 3 1.633 -7.492 0.309 21 HE1 HIS 3 HE1 HIS 3 4.148 -4.142 0.980 22 HA PRO 4 HA PRO 4 3.606 -8.588 -6.510 23 HB2 PRO 4 HB2 PRO 4 4.123 -10.944 -5.263 24 HB3 PRO 4 HB3 PRO 4 5.344 -9.684 -5.482 25 HG2 PRO 4 HG2 PRO 4 3.690 -10.320 -3.069 26 HG3 PRO 4 HG3 PRO 4 5.414 -9.919 -3.170 27 HD2 PRO 4 HD2 PRO 4 3.538 -8.108 -2.440 28 HD3 PRO 4 HD3 PRO 4 5.009 -7.656 -3.327 29 H GLY 5 H GLY 5 1.207 -8.163 -6.696 30 HA2 GLY 5 HA2 GLY 5 -0.459 -10.354 -5.696 31 HA3 GLY 5 HA3 GLY 5 -1.037 -8.869 -6.437 32 H HIS 6 H HIS 6 0.834 -9.081 -8.690 33 HA HIS 6 HA HIS 6 -0.816 -10.682 -10.394 34 HB2 HIS 6 HB2 HIS 6 0.602 -9.903 -12.196 35 HB3 HIS 6 HB3 HIS 6 0.237 -8.552 -11.126 36 HD1 HIS 6 HD1 HIS 6 2.209 -7.773 -9.528 37 HD2 HIS 6 HD2 HIS 6 3.272 -10.472 -12.502 38 HE1 HIS 6 HE1 HIS 6 4.718 -7.667 -9.666 39 H LEU 7 H LEU 7 2.382 -11.009 -8.967 40 HA LEU 7 HA LEU 7 2.947 -13.452 -10.409 41 HB2 LEU 7 HB2 LEU 7 4.995 -13.499 -9.033 42 HB3 LEU 7 HB3 LEU 7 4.787 -11.997 -9.929 43 HG LEU 7 HG LEU 7 3.652 -11.552 -7.399 44 HD11 LEU 7 HD11 LEU 7 4.676 -13.094 -6.120 45 HD12 LEU 7 HD12 LEU 7 6.042 -11.985 -6.235 46 HD13 LEU 7 HD13 LEU 7 5.953 -13.386 -7.302 47 HD21 LEU 7 HD21 LEU 7 4.889 -9.692 -7.552 48 HD22 LEU 7 HD22 LEU 7 5.303 -10.280 -9.163 49 HD23 LEU 7 HD23 LEU 7 6.385 -10.592 -7.805 50 H LYS 8 H LYS 8 1.224 -12.605 -7.644 51 HA LYS 8 HA LYS 8 1.645 -14.418 -5.703 52 HB2 LYS 8 HB2 LYS 8 -0.630 -14.257 -5.099 53 HB3 LYS 8 HB3 LYS 8 -0.263 -12.740 -5.910 54 HG2 LYS 8 HG2 LYS 8 -2.215 -13.209 -6.946 55 HG3 LYS 8 HG3 LYS 8 -1.139 -14.113 -8.014 56 HD2 LYS 8 HD2 LYS 8 -1.831 -16.141 -7.221 57 HD3 LYS 8 HD3 LYS 8 -2.205 -15.507 -5.616 58 HE2 LYS 8 HE2 LYS 8 -3.820 -14.786 -8.046 59 HE3 LYS 8 HE3 LYS 8 -4.169 -16.217 -7.078 60 HZ1 LYS 8 HZ1 LYS 8 -3.892 -14.051 -5.340 61 HZ2 LYS 8 HZ2 LYS 8 -5.290 -14.939 -5.683 62 HZ3 LYS 8 HZ3 LYS 8 -4.921 -13.560 -6.590 63 H GLY 9 H GLY 9 0.378 -15.112 -8.894 64 HA2 GLY 9 HA2 GLY 9 -0.577 -17.717 -8.416 65 HA3 GLY 9 HA3 GLY 9 -0.056 -17.089 -9.973 66 H ARG 10 H ARG 10 1.545 -18.177 -10.880 67 HA ARG 10 HA ARG 10 3.122 -20.022 -9.306 68 HB2 ARG 10 HB2 ARG 10 2.153 -20.397 -11.682 69 HB3 ARG 10 HB3 ARG 10 3.540 -19.465 -12.228 70 HG2 ARG 10 HG2 ARG 10 4.931 -21.146 -10.857 71 HG3 ARG 10 HG3 ARG 10 3.475 -22.143 -10.901 72 HD2 ARG 10 HD2 ARG 10 4.494 -22.905 -12.789 73 HD3 ARG 10 HD3 ARG 10 3.597 -21.553 -13.479 74 HE ARG 10 HE ARG 10 6.045 -20.537 -12.716 75 HH11 ARG 10 HH11 ARG 10 4.877 -22.994 -14.888 76 HH12 ARG 10 HH12 ARG 10 6.196 -22.823 -15.998 77 HH21 ARG 10 HH21 ARG 10 7.787 -20.303 -14.169 78 HH22 ARG 10 HH22 ARG 10 7.851 -21.294 -15.588 79 H GLU 11 H GLU 11 3.580 -16.993 -11.028 80 HA GLU 11 HA GLU 11 6.348 -16.857 -11.098 81 HB2 GLU 11 HB2 GLU 11 4.148 -14.865 -11.051 82 HB3 GLU 11 HB3 GLU 11 5.760 -14.271 -10.676 83 HG2 GLU 11 HG2 GLU 11 5.068 -14.098 -13.077 84 HG3 GLU 11 HG3 GLU 11 6.597 -14.923 -12.783 85 H ILE 12 H ILE 12 4.224 -16.698 -8.401 86 HA ILE 12 HA ILE 12 5.569 -15.182 -6.547 87 HB ILE 12 HB ILE 12 3.392 -16.321 -6.153 88 HG12 ILE 12 HG12 ILE 12 5.242 -17.119 -3.932 89 HG13 ILE 12 HG13 ILE 12 5.058 -15.418 -4.345 90 HG21 ILE 12 HG21 ILE 12 4.154 -18.538 -7.025 91 HG22 ILE 12 HG22 ILE 12 5.044 -18.757 -5.518 92 HG23 ILE 12 HG23 ILE 12 3.287 -18.611 -5.491 93 HD11 ILE 12 HD11 ILE 12 3.488 -16.853 -2.606 94 HD12 ILE 12 HD12 ILE 12 3.094 -15.289 -3.319 95 HD13 ILE 12 HD13 ILE 12 2.509 -16.773 -4.071 96 H GLY 13 H GLY 13 6.493 -18.238 -7.898 97 HA2 GLY 13 HA2 GLY 13 8.191 -19.276 -5.977 98 HA3 GLY 13 HA3 GLY 13 8.439 -19.445 -7.709 99 H MET 14 H MET 14 8.769 -16.617 -8.209 100 HA MET 14 HA MET 14 11.562 -16.420 -7.529 101 HB2 MET 14 HB2 MET 14 9.676 -14.921 -9.287 102 HB3 MET 14 HB3 MET 14 11.151 -14.113 -8.774 103 HG2 MET 14 HG2 MET 14 12.214 -16.411 -9.590 104 HG3 MET 14 HG3 MET 14 10.775 -16.401 -10.606 105 HE1 MET 14 HE1 MET 14 11.019 -14.882 -13.187 106 HE2 MET 14 HE2 MET 14 12.718 -15.294 -13.420 107 HE3 MET 14 HE3 MET 14 11.638 -16.430 -12.611 108 H TRP 15 H TRP 15 8.588 -15.178 -6.318 109 HA TRP 15 HA TRP 15 9.285 -12.778 -5.168 110 HB2 TRP 15 HB2 TRP 15 7.008 -13.789 -5.137 111 HB3 TRP 15 HB3 TRP 15 7.552 -14.897 -3.881 112 HD1 TRP 15 HD1 TRP 15 8.619 -11.232 -3.770 113 HE1 TRP 15 HE1 TRP 15 7.502 -10.107 -1.742 114 HE3 TRP 15 HE3 TRP 15 5.491 -15.022 -2.360 115 HZ2 TRP 15 HZ2 TRP 15 5.554 -10.743 0.199 116 HZ3 TRP 15 HZ3 TRP 15 4.034 -14.683 -0.406 117 HH2 TRP 15 HH2 TRP 15 4.067 -12.588 0.846 118 H TYR 16 H TYR 16 9.354 -15.909 -3.453 119 HA TYR 16 HA TYR 16 10.649 -15.069 -1.167 120 HB2 TYR 16 HB2 TYR 16 9.701 -17.443 -2.005 121 HB3 TYR 16 HB3 TYR 16 11.425 -17.739 -2.202 122 HD1 TYR 16 HD1 TYR 16 9.047 -16.356 0.330 123 HD2 TYR 16 HD2 TYR 16 12.587 -18.599 -0.403 124 HE1 TYR 16 HE1 TYR 16 9.232 -16.839 2.735 125 HE2 TYR 16 HE2 TYR 16 12.781 -19.090 1.999 126 HH TYR 16 HH TYR 16 10.410 -17.832 4.329 127 H ALA 17 H ALA 17 12.108 -16.328 -4.154 128 HA ALA 17 HA ALA 17 14.772 -16.286 -3.401 129 HB1 ALA 17 HB1 ALA 17 15.251 -16.670 -5.584 130 HB2 ALA 17 HB2 ALA 17 13.515 -16.981 -5.646 131 HB3 ALA 17 HB3 ALA 17 14.150 -15.419 -6.162 132 H LYS 18 H LYS 18 12.672 -13.648 -4.312 133 HA LYS 18 HA LYS 18 14.634 -11.698 -4.835 134 HB2 LYS 18 HB2 LYS 18 12.034 -11.685 -5.195 135 HB3 LYS 18 HB3 LYS 18 12.009 -10.983 -3.582 136 HG2 LYS 18 HG2 LYS 18 12.079 -9.085 -4.830 137 HG3 LYS 18 HG3 LYS 18 13.810 -9.368 -4.630 138 HD2 LYS 18 HD2 LYS 18 12.371 -10.550 -6.969 139 HD3 LYS 18 HD3 LYS 18 12.836 -8.847 -6.994 140 HE2 LYS 18 HE2 LYS 18 15.157 -9.850 -6.211 141 HE3 LYS 18 HE3 LYS 18 14.533 -11.289 -7.014 142 HZ1 LYS 18 HZ1 LYS 18 14.929 -8.608 -8.222 143 HZ2 LYS 18 HZ2 LYS 18 14.156 -9.893 -9.004 144 HZ3 LYS 18 HZ3 LYS 18 15.788 -10.022 -8.578 145 H LYS 19 H LYS 19 15.896 -10.508 -3.546 146 HA LYS 19 HA LYS 19 15.583 -10.841 -0.643 147 HB2 LYS 19 HB2 LYS 19 17.768 -11.376 -2.052 148 HB3 LYS 19 HB3 LYS 19 18.040 -9.650 -1.846 149 HG2 LYS 19 HG2 LYS 19 18.031 -9.867 0.537 150 HG3 LYS 19 HG3 LYS 19 17.539 -11.559 0.427 151 HD2 LYS 19 HD2 LYS 19 19.738 -11.753 -1.013 152 HD3 LYS 19 HD3 LYS 19 20.190 -10.306 -0.107 153 HE2 LYS 19 HE2 LYS 19 19.857 -11.472 1.986 154 HE3 LYS 19 HE3 LYS 19 19.273 -12.899 1.132 155 HZ1 LYS 19 HZ1 LYS 19 21.404 -13.534 1.357 156 HZ2 LYS 19 HZ2 LYS 19 21.990 -11.956 1.520 157 HZ3 LYS 19 HZ3 LYS 19 21.648 -12.576 -0.016 158 H GLN 20 H GLN 20 15.874 -9.023 0.749 159 HA GLN 20 HA GLN 20 15.605 -6.394 -0.523 160 HB2 GLN 20 HB2 GLN 20 13.368 -7.477 0.235 161 HB3 GLN 20 HB3 GLN 20 13.921 -7.097 1.860 162 HG2 GLN 20 HG2 GLN 20 13.692 -4.849 1.568 163 HG3 GLN 20 HG3 GLN 20 13.964 -4.935 -0.172 164 HE21 GLN 20 HE12 GLN 20 11.658 -4.940 2.351 165 HE22 GLN 20 HE22 GLN 20 10.243 -5.055 1.367 Start of MODEL 4 1 H1 SER 1 H SER 1 1.065 1.360 -1.969 2 HA SER 1 HA SER 1 2.792 1.267 -4.356 3 HB2 SER 1 HB2 SER 1 2.973 -0.438 -1.860 4 HB3 SER 1 HB3 SER 1 4.037 -0.544 -3.262 5 HG SER 1 HG SER 1 3.711 1.785 -1.676 6 H MET 2 H MET 2 3.061 -1.281 -4.905 7 HA MET 2 HA MET 2 0.325 -2.352 -5.136 8 HB2 MET 2 HB2 MET 2 1.288 -1.389 -7.265 9 HB3 MET 2 HB3 MET 2 2.499 -2.663 -7.208 10 HG2 MET 2 HG2 MET 2 0.871 -3.462 -8.667 11 HG3 MET 2 HG3 MET 2 0.549 -4.293 -7.148 12 HE1 MET 2 HE1 MET 2 -3.025 -3.790 -8.694 13 HE2 MET 2 HE2 MET 2 -1.569 -3.931 -9.680 14 HE3 MET 2 HE3 MET 2 -1.769 -4.947 -8.252 15 H HIS 3 H HIS 3 0.069 -4.280 -4.236 16 HA HIS 3 HA HIS 3 2.237 -5.736 -3.127 17 HB2 HIS 3 HB2 HIS 3 -0.704 -6.047 -3.282 18 HB3 HIS 3 HB3 HIS 3 0.217 -7.530 -3.048 19 HD1 HIS 3 HD1 HIS 3 -0.283 -7.985 -0.634 20 HD2 HIS 3 HD2 HIS 3 1.052 -4.105 -1.281 21 HE1 HIS 3 HE1 HIS 3 0.068 -7.005 1.655 22 HA PRO 4 HA PRO 4 3.431 -8.487 -6.328 23 HB2 PRO 4 HB2 PRO 4 3.799 -10.822 -4.992 24 HB3 PRO 4 HB3 PRO 4 4.893 -9.442 -4.835 25 HG2 PRO 4 HG2 PRO 4 2.677 -10.318 -3.023 26 HG3 PRO 4 HG3 PRO 4 4.303 -9.747 -2.606 27 HD2 PRO 4 HD2 PRO 4 2.118 -8.154 -2.459 28 HD3 PRO 4 HD3 PRO 4 3.729 -7.530 -2.868 29 H GLY 5 H GLY 5 1.078 -8.243 -7.103 30 HA2 GLY 5 HA2 GLY 5 -0.488 -10.690 -6.726 31 HA3 GLY 5 HA3 GLY 5 -1.054 -9.207 -7.479 32 H HIS 6 H HIS 6 1.459 -9.080 -9.110 33 HA HIS 6 HA HIS 6 0.461 -10.571 -11.346 34 HB2 HIS 6 HB2 HIS 6 1.449 -8.373 -11.693 35 HB3 HIS 6 HB3 HIS 6 2.979 -8.927 -11.019 36 HD1 HIS 6 HD1 HIS 6 4.523 -10.275 -12.543 37 HD2 HIS 6 HD2 HIS 6 0.894 -9.292 -14.311 38 HE1 HIS 6 HE1 HIS 6 4.792 -10.825 -14.983 39 H LEU 7 H LEU 7 3.154 -10.870 -9.104 40 HA LEU 7 HA LEU 7 4.315 -13.100 -10.520 41 HB2 LEU 7 HB2 LEU 7 5.843 -13.213 -8.581 42 HB3 LEU 7 HB3 LEU 7 5.795 -11.628 -9.351 43 HG LEU 7 HG LEU 7 3.907 -11.648 -7.218 44 HD11 LEU 7 HD11 LEU 7 6.351 -13.161 -6.688 45 HD12 LEU 7 HD12 LEU 7 4.839 -13.089 -5.785 46 HD13 LEU 7 HD13 LEU 7 6.062 -11.840 -5.556 47 HD21 LEU 7 HD21 LEU 7 5.950 -10.053 -6.407 48 HD22 LEU 7 HD22 LEU 7 4.688 -9.568 -7.541 49 HD23 LEU 7 HD23 LEU 7 6.245 -10.136 -8.144 50 H LYS 8 H LYS 8 1.762 -12.690 -8.370 51 HA LYS 8 HA LYS 8 1.717 -14.684 -6.574 52 HB2 LYS 8 HB2 LYS 8 -0.378 -13.590 -8.383 53 HB3 LYS 8 HB3 LYS 8 -0.765 -15.053 -7.487 54 HG2 LYS 8 HG2 LYS 8 0.440 -12.887 -5.905 55 HG3 LYS 8 HG3 LYS 8 -1.165 -12.556 -6.561 56 HD2 LYS 8 HD2 LYS 8 -1.781 -14.879 -5.620 57 HD3 LYS 8 HD3 LYS 8 -0.308 -14.712 -4.661 58 HE2 LYS 8 HE2 LYS 8 -2.454 -12.606 -4.715 59 HE3 LYS 8 HE3 LYS 8 -2.479 -13.953 -3.577 60 HZ1 LYS 8 HZ1 LYS 8 -1.426 -12.251 -2.426 61 HZ2 LYS 8 HZ2 LYS 8 -0.532 -11.741 -3.768 62 HZ3 LYS 8 HZ3 LYS 8 -0.132 -13.187 -2.985 63 H GLY 9 H GLY 9 1.558 -15.092 -10.055 64 HA2 GLY 9 HA2 GLY 9 0.789 -17.800 -10.122 65 HA3 GLY 9 HA3 GLY 9 1.678 -16.960 -11.384 66 H ARG 10 H ARG 10 3.542 -17.885 -11.866 67 HA ARG 10 HA ARG 10 4.788 -19.728 -10.021 68 HB2 ARG 10 HB2 ARG 10 4.920 -19.158 -12.882 69 HB3 ARG 10 HB3 ARG 10 6.500 -19.466 -12.176 70 HG2 ARG 10 HG2 ARG 10 5.814 -21.614 -11.396 71 HG3 ARG 10 HG3 ARG 10 4.137 -21.296 -11.845 72 HD2 ARG 10 HD2 ARG 10 6.462 -21.486 -13.757 73 HD3 ARG 10 HD3 ARG 10 5.271 -22.753 -13.465 74 HE ARG 10 HE ARG 10 3.972 -20.365 -14.222 75 HH11 ARG 10 HH11 ARG 10 5.930 -22.930 -15.529 76 HH12 ARG 10 HH12 ARG 10 5.280 -22.788 -17.129 77 HH21 ARG 10 HH21 ARG 10 3.109 -20.168 -16.324 78 HH22 ARG 10 HH22 ARG 10 3.676 -21.215 -17.580 79 H GLU 11 H GLU 11 5.359 -16.509 -11.274 80 HA GLU 11 HA GLU 11 8.025 -16.151 -10.581 81 HB2 GLU 11 HB2 GLU 11 5.704 -14.384 -11.044 82 HB3 GLU 11 HB3 GLU 11 7.009 -13.684 -10.096 83 HG2 GLU 11 HG2 GLU 11 7.116 -13.269 -12.563 84 HG3 GLU 11 HG3 GLU 11 8.565 -13.972 -11.847 85 H ILE 12 H ILE 12 5.263 -16.477 -8.569 86 HA ILE 12 HA ILE 12 5.891 -15.062 -6.298 87 HB ILE 12 HB ILE 12 3.822 -16.392 -6.595 88 HG12 ILE 12 HG12 ILE 12 5.297 -17.151 -4.068 89 HG13 ILE 12 HG13 ILE 12 4.616 -15.554 -4.360 90 HG21 ILE 12 HG21 ILE 12 5.198 -18.832 -5.605 91 HG22 ILE 12 HG22 ILE 12 3.737 -18.673 -6.579 92 HG23 ILE 12 HG23 ILE 12 5.320 -18.442 -7.321 93 HD11 ILE 12 HD11 ILE 12 2.433 -16.334 -4.246 94 HD12 ILE 12 HD12 ILE 12 2.916 -18.009 -4.518 95 HD13 ILE 12 HD13 ILE 12 3.266 -17.230 -2.975 96 H GLY 13 H GLY 13 7.476 -17.854 -7.598 97 HA2 GLY 13 HA2 GLY 13 8.700 -18.963 -5.379 98 HA3 GLY 13 HA3 GLY 13 9.418 -18.913 -6.982 99 H MET 14 H MET 14 9.546 -16.022 -7.113 100 HA MET 14 HA MET 14 12.024 -15.677 -5.687 101 HB2 MET 14 HB2 MET 14 11.469 -14.835 -8.050 102 HB3 MET 14 HB3 MET 14 10.583 -13.544 -7.249 103 HG2 MET 14 HG2 MET 14 12.579 -12.509 -7.513 104 HG3 MET 14 HG3 MET 14 12.861 -13.269 -5.948 105 HE1 MET 14 HE1 MET 14 14.572 -12.425 -9.048 106 HE2 MET 14 HE2 MET 14 15.120 -13.924 -9.799 107 HE3 MET 14 HE3 MET 14 13.404 -13.512 -9.800 108 H TRP 15 H TRP 15 8.718 -14.849 -5.205 109 HA TRP 15 HA TRP 15 8.817 -12.559 -3.684 110 HB2 TRP 15 HB2 TRP 15 6.760 -13.857 -4.387 111 HB3 TRP 15 HB3 TRP 15 7.063 -14.926 -3.019 112 HD1 TRP 15 HD1 TRP 15 7.657 -11.193 -2.574 113 HE1 TRP 15 HE1 TRP 15 5.874 -10.249 -0.976 114 HE3 TRP 15 HE3 TRP 15 4.622 -15.293 -2.232 115 HZ2 TRP 15 HZ2 TRP 15 3.496 -11.127 0.266 116 HZ3 TRP 15 HZ3 TRP 15 2.613 -15.158 -0.817 117 HH2 TRP 15 HH2 TRP 15 2.064 -13.118 0.406 118 H TYR 16 H TYR 16 8.798 -15.862 -2.326 119 HA TYR 16 HA TYR 16 9.386 -15.167 0.293 120 HB2 TYR 16 HB2 TYR 16 8.918 -17.513 -1.022 121 HB3 TYR 16 HB3 TYR 16 10.624 -17.679 -0.622 122 HD1 TYR 16 HD1 TYR 16 7.483 -16.532 1.062 123 HD2 TYR 16 HD2 TYR 16 11.097 -18.759 1.353 124 HE1 TYR 16 HE1 TYR 16 6.875 -17.207 3.347 125 HE2 TYR 16 HE2 TYR 16 10.498 -19.442 3.638 126 HH TYR 16 HH TYR 16 7.834 -18.033 5.339 127 H ALA 17 H ALA 17 11.648 -16.152 -2.275 128 HA ALA 17 HA ALA 17 14.019 -16.006 -0.871 129 HB1 ALA 17 HB1 ALA 17 15.122 -15.655 -3.014 130 HB2 ALA 17 HB2 ALA 17 13.843 -16.861 -3.157 131 HB3 ALA 17 HB3 ALA 17 13.579 -15.221 -3.750 132 H LYS 18 H LYS 18 12.030 -13.419 -2.102 133 HA LYS 18 HA LYS 18 12.156 -11.152 -1.942 134 HB2 LYS 18 HB2 LYS 18 12.860 -12.224 0.554 135 HB3 LYS 18 HB3 LYS 18 14.032 -10.949 0.248 136 HG2 LYS 18 HG2 LYS 18 11.344 -10.101 -0.398 137 HG3 LYS 18 HG3 LYS 18 11.480 -10.648 1.275 138 HD2 LYS 18 HD2 LYS 18 13.581 -9.170 1.371 139 HD3 LYS 18 HD3 LYS 18 12.964 -8.436 -0.111 140 HE2 LYS 18 HE2 LYS 18 11.971 -7.049 1.387 141 HE3 LYS 18 HE3 LYS 18 10.744 -8.314 1.356 142 HZ1 LYS 18 HZ1 LYS 18 11.115 -8.772 3.480 143 HZ2 LYS 18 HZ2 LYS 18 12.083 -7.387 3.562 144 HZ3 LYS 18 HZ3 LYS 18 12.787 -8.893 3.251 145 H LYS 19 H LYS 19 14.206 -12.618 -3.506 146 HA LYS 19 HA LYS 19 16.597 -10.996 -3.255 147 HB2 LYS 19 HB2 LYS 19 16.338 -13.534 -3.978 148 HB3 LYS 19 HB3 LYS 19 16.141 -12.819 -5.573 149 HG2 LYS 19 HG2 LYS 19 18.301 -11.714 -5.358 150 HG3 LYS 19 HG3 LYS 19 18.498 -12.401 -3.744 151 HD2 LYS 19 HD2 LYS 19 19.728 -13.836 -5.115 152 HD3 LYS 19 HD3 LYS 19 18.191 -14.678 -4.897 153 HE2 LYS 19 HE2 LYS 19 17.514 -13.423 -7.078 154 HE3 LYS 19 HE3 LYS 19 19.255 -13.256 -7.303 155 HZ1 LYS 19 HZ1 LYS 19 18.419 -15.921 -6.604 156 HZ2 LYS 19 HZ2 LYS 19 19.463 -15.401 -7.829 157 HZ3 LYS 19 HZ3 LYS 19 17.790 -15.382 -8.080 158 H GLN 20 H GLN 20 17.456 -9.738 -5.014 159 HA GLN 20 HA GLN 20 15.610 -7.941 -6.117 160 HB2 GLN 20 HB2 GLN 20 18.039 -7.491 -5.684 161 HB3 GLN 20 HB3 GLN 20 18.418 -8.455 -7.105 162 HG2 GLN 20 HG2 GLN 20 17.428 -6.904 -8.558 163 HG3 GLN 20 HG3 GLN 20 16.599 -6.076 -7.241 164 HE21 GLN 20 HE12 GLN 20 18.801 -5.497 -9.391 165 HE22 GLN 20 HE22 GLN 20 19.939 -4.548 -8.503 Start of MODEL 5 1 H1 SER 1 H SER 1 -1.572 -1.918 -8.707 2 HA SER 1 HA SER 1 -1.156 -3.343 -6.284 3 HB2 SER 1 HB2 SER 1 -2.272 -4.441 -8.122 4 HB3 SER 1 HB3 SER 1 -0.881 -4.189 -9.176 5 HG SER 1 HG SER 1 -0.464 -6.161 -8.491 6 H MET 2 H MET 2 0.740 -1.703 -5.870 7 HA MET 2 HA MET 2 3.224 -2.014 -7.091 8 HB2 MET 2 HB2 MET 2 2.625 -1.340 -4.205 9 HB3 MET 2 HB3 MET 2 4.169 -1.086 -5.008 10 HG2 MET 2 HG2 MET 2 3.421 0.707 -6.193 11 HG3 MET 2 HG3 MET 2 1.756 0.130 -6.227 12 HE1 MET 2 HE1 MET 2 4.567 1.662 -4.549 13 HE2 MET 2 HE2 MET 2 3.724 3.194 -4.317 14 HE3 MET 2 HE3 MET 2 4.052 2.149 -2.934 15 H HIS 3 H HIS 3 1.743 -3.814 -4.438 16 HA HIS 3 HA HIS 3 4.048 -5.388 -3.864 17 HB2 HIS 3 HB2 HIS 3 1.179 -5.420 -3.063 18 HB3 HIS 3 HB3 HIS 3 2.106 -6.900 -2.839 19 HD1 HIS 3 HD1 HIS 3 3.719 -6.980 -0.898 20 HD2 HIS 3 HD2 HIS 3 2.123 -3.196 -1.521 21 HE1 HIS 3 HE1 HIS 3 4.419 -5.618 1.097 22 HA PRO 4 HA PRO 4 3.865 -8.580 -6.865 23 HB2 PRO 4 HB2 PRO 4 4.462 -10.793 -5.409 24 HB3 PRO 4 HB3 PRO 4 5.657 -9.552 -5.805 25 HG2 PRO 4 HG2 PRO 4 4.109 -9.953 -3.274 26 HG3 PRO 4 HG3 PRO 4 5.824 -9.551 -3.485 27 HD2 PRO 4 HD2 PRO 4 3.957 -7.690 -2.866 28 HD3 PRO 4 HD3 PRO 4 5.384 -7.318 -3.853 29 H GLY 5 H GLY 5 1.421 -8.132 -6.882 30 HA2 GLY 5 HA2 GLY 5 -0.132 -10.304 -5.677 31 HA3 GLY 5 HA3 GLY 5 -0.788 -8.851 -6.417 32 H HIS 6 H HIS 6 1.034 -9.215 -8.765 33 HA HIS 6 HA HIS 6 -0.768 -10.809 -10.325 34 HB2 HIS 6 HB2 HIS 6 0.879 -8.699 -10.887 35 HB3 HIS 6 HB3 HIS 6 1.788 -10.046 -11.566 36 HD1 HIS 6 HD1 HIS 6 -1.845 -8.891 -11.681 37 HD2 HIS 6 HD2 HIS 6 1.115 -10.455 -14.141 38 HE1 HIS 6 HE1 HIS 6 -2.883 -9.045 -13.967 39 H LEU 7 H LEU 7 2.602 -11.121 -9.271 40 HA LEU 7 HA LEU 7 3.032 -13.612 -10.588 41 HB2 LEU 7 HB2 LEU 7 5.065 -13.728 -9.185 42 HB3 LEU 7 HB3 LEU 7 4.909 -12.220 -10.083 43 HG LEU 7 HG LEU 7 3.766 -11.860 -7.495 44 HD11 LEU 7 HD11 LEU 7 4.994 -13.263 -6.259 45 HD12 LEU 7 HD12 LEU 7 6.306 -12.119 -6.540 46 HD13 LEU 7 HD13 LEU 7 6.152 -13.552 -7.557 47 HD21 LEU 7 HD21 LEU 7 4.554 -9.901 -8.244 48 HD22 LEU 7 HD22 LEU 7 5.776 -10.668 -9.259 49 HD23 LEU 7 HD23 LEU 7 6.084 -10.424 -7.539 50 H LYS 8 H LYS 8 1.287 -12.763 -7.847 51 HA LYS 8 HA LYS 8 1.638 -14.578 -5.902 52 HB2 LYS 8 HB2 LYS 8 -0.839 -13.479 -7.150 53 HB3 LYS 8 HB3 LYS 8 -1.007 -14.770 -5.967 54 HG2 LYS 8 HG2 LYS 8 0.102 -13.450 -4.292 55 HG3 LYS 8 HG3 LYS 8 0.454 -12.184 -5.471 56 HD2 LYS 8 HD2 LYS 8 -1.418 -11.391 -4.310 57 HD3 LYS 8 HD3 LYS 8 -2.082 -12.051 -5.806 58 HE2 LYS 8 HE2 LYS 8 -3.518 -12.965 -4.271 59 HE3 LYS 8 HE3 LYS 8 -2.301 -14.236 -4.366 60 HZ1 LYS 8 HZ1 LYS 8 -2.662 -12.206 -2.246 61 HZ2 LYS 8 HZ2 LYS 8 -1.220 -13.074 -2.413 62 HZ3 LYS 8 HZ3 LYS 8 -2.666 -13.892 -2.097 63 H GLY 9 H GLY 9 0.411 -15.271 -9.116 64 HA2 GLY 9 HA2 GLY 9 -0.527 -17.883 -8.649 65 HA3 GLY 9 HA3 GLY 9 -0.004 -17.249 -10.202 66 H ARG 10 H ARG 10 1.547 -18.414 -11.100 67 HA ARG 10 HA ARG 10 3.168 -20.191 -9.499 68 HB2 ARG 10 HB2 ARG 10 2.149 -20.607 -11.868 69 HB3 ARG 10 HB3 ARG 10 3.573 -19.745 -12.435 70 HG2 ARG 10 HG2 ARG 10 3.933 -22.004 -10.534 71 HG3 ARG 10 HG3 ARG 10 3.560 -22.356 -12.223 72 HD2 ARG 10 HD2 ARG 10 5.481 -20.666 -12.711 73 HD3 ARG 10 HD3 ARG 10 5.956 -21.008 -11.048 74 HE ARG 10 HE ARG 10 6.715 -23.052 -11.731 75 HH11 ARG 10 HH11 ARG 10 4.585 -21.767 -14.167 76 HH12 ARG 10 HH12 ARG 10 4.918 -23.027 -15.308 77 HH21 ARG 10 HH21 ARG 10 7.162 -24.716 -13.225 78 HH22 ARG 10 HH22 ARG 10 6.384 -24.704 -14.771 79 H GLU 11 H GLU 11 3.542 -17.170 -11.221 80 HA GLU 11 HA GLU 11 6.310 -17.022 -11.414 81 HB2 GLU 11 HB2 GLU 11 4.086 -15.080 -11.352 82 HB3 GLU 11 HB3 GLU 11 5.664 -14.433 -10.928 83 HG2 GLU 11 HG2 GLU 11 5.005 -14.265 -13.350 84 HG3 GLU 11 HG3 GLU 11 6.576 -14.993 -13.020 85 H ILE 12 H ILE 12 4.294 -16.896 -8.639 86 HA ILE 12 HA ILE 12 5.696 -15.358 -6.840 87 HB ILE 12 HB ILE 12 3.540 -16.509 -6.366 88 HG12 ILE 12 HG12 ILE 12 5.590 -17.185 -4.259 89 HG13 ILE 12 HG13 ILE 12 5.113 -15.527 -4.606 90 HG21 ILE 12 HG21 ILE 12 4.499 -18.744 -7.241 91 HG22 ILE 12 HG22 ILE 12 5.112 -18.937 -5.600 92 HG23 ILE 12 HG23 ILE 12 3.379 -18.772 -5.880 93 HD11 ILE 12 HD11 ILE 12 3.916 -17.253 -2.817 94 HD12 ILE 12 HD12 ILE 12 3.258 -15.727 -3.410 95 HD13 ILE 12 HD13 ILE 12 2.822 -17.242 -4.200 96 H GLY 13 H GLY 13 6.594 -18.399 -8.231 97 HA2 GLY 13 HA2 GLY 13 8.362 -19.434 -6.371 98 HA3 GLY 13 HA3 GLY 13 8.549 -19.599 -8.110 99 H MET 14 H MET 14 8.834 -16.754 -8.596 100 HA MET 14 HA MET 14 11.653 -16.548 -8.041 101 HB2 MET 14 HB2 MET 14 10.536 -15.868 -10.211 102 HB3 MET 14 HB3 MET 14 9.894 -14.475 -9.350 103 HG2 MET 14 HG2 MET 14 12.291 -13.907 -8.768 104 HG3 MET 14 HG3 MET 14 12.759 -15.127 -9.950 105 HE1 MET 14 HE1 MET 14 13.422 -11.663 -10.172 106 HE2 MET 14 HE2 MET 14 11.933 -10.855 -10.664 107 HE3 MET 14 HE3 MET 14 11.997 -11.732 -9.134 108 H TRP 15 H TRP 15 8.732 -15.346 -6.671 109 HA TRP 15 HA TRP 15 9.475 -12.961 -5.514 110 HB2 TRP 15 HB2 TRP 15 7.206 -14.078 -5.420 111 HB3 TRP 15 HB3 TRP 15 7.831 -15.065 -4.101 112 HD1 TRP 15 HD1 TRP 15 8.815 -11.389 -4.267 113 HE1 TRP 15 HE1 TRP 15 7.702 -10.141 -2.310 114 HE3 TRP 15 HE3 TRP 15 5.753 -15.112 -2.565 115 HZ2 TRP 15 HZ2 TRP 15 5.781 -10.665 -0.310 116 HZ3 TRP 15 HZ3 TRP 15 4.309 -14.658 -0.625 117 HH2 TRP 15 HH2 TRP 15 4.325 -12.480 0.478 118 H TYR 16 H TYR 16 9.622 -16.124 -3.863 119 HA TYR 16 HA TYR 16 11.009 -15.323 -1.618 120 HB2 TYR 16 HB2 TYR 16 10.040 -17.689 -2.480 121 HB3 TYR 16 HB3 TYR 16 11.761 -17.969 -2.720 122 HD1 TYR 16 HD2 TYR 16 9.368 -16.747 -0.128 123 HD2 TYR 16 HD1 TYR 16 13.031 -18.752 -0.946 124 HE1 TYR 16 HE2 TYR 16 9.610 -17.269 2.263 125 HE2 TYR 16 HE1 TYR 16 13.282 -19.280 1.442 126 HH TYR 16 HH TYR 16 10.808 -19.047 3.646 127 H ALA 17 H ALA 17 12.351 -16.543 -4.677 128 HA ALA 17 HA ALA 17 15.038 -16.517 -4.051 129 HB1 ALA 17 HB1 ALA 17 15.461 -16.273 -6.444 130 HB2 ALA 17 HB2 ALA 17 14.154 -17.418 -6.140 131 HB3 ALA 17 HB3 ALA 17 13.785 -15.786 -6.695 132 H LYS 18 H LYS 18 12.914 -13.837 -4.740 133 HA LYS 18 HA LYS 18 14.883 -11.881 -5.264 134 HB2 LYS 18 HB2 LYS 18 12.390 -11.721 -5.721 135 HB3 LYS 18 HB3 LYS 18 12.186 -11.375 -4.009 136 HG2 LYS 18 HG2 LYS 18 13.420 -9.354 -4.184 137 HG3 LYS 18 HG3 LYS 18 13.950 -9.748 -5.821 138 HD2 LYS 18 HD2 LYS 18 11.842 -9.343 -6.731 139 HD3 LYS 18 HD3 LYS 18 11.034 -9.498 -5.169 140 HE2 LYS 18 HE2 LYS 18 11.005 -7.208 -5.540 141 HE3 LYS 18 HE3 LYS 18 12.421 -7.419 -4.510 142 HZ1 LYS 18 HZ1 LYS 18 12.875 -5.949 -6.378 143 HZ2 LYS 18 HZ2 LYS 18 12.469 -7.175 -7.470 144 HZ3 LYS 18 HZ3 LYS 18 13.822 -7.349 -6.469 145 H LYS 19 H LYS 19 15.823 -10.332 -3.933 146 HA LYS 19 HA LYS 19 15.542 -10.752 -1.036 147 HB2 LYS 19 HB2 LYS 19 18.025 -10.756 -2.698 148 HB3 LYS 19 HB3 LYS 19 18.102 -10.109 -1.065 149 HG2 LYS 19 HG2 LYS 19 17.531 -12.172 -0.103 150 HG3 LYS 19 HG3 LYS 19 16.983 -12.831 -1.646 151 HD2 LYS 19 HD2 LYS 19 19.049 -13.831 -1.431 152 HD3 LYS 19 HD3 LYS 19 19.454 -12.399 -2.379 153 HE2 LYS 19 HE2 LYS 19 21.073 -12.283 -0.767 154 HE3 LYS 19 HE3 LYS 19 19.803 -11.335 0.005 155 HZ1 LYS 19 HZ1 LYS 19 20.058 -14.241 0.477 156 HZ2 LYS 19 HZ2 LYS 19 19.253 -13.087 1.415 157 HZ3 LYS 19 HZ3 LYS 19 20.944 -13.121 1.384 158 H GLN 20 H GLN 20 16.206 -8.911 0.270 159 HA GLN 20 HA GLN 20 15.244 -6.458 -0.809 160 HB2 GLN 20 HB2 GLN 20 16.428 -7.278 1.824 161 HB3 GLN 20 HB3 GLN 20 16.152 -5.578 1.465 162 HG2 GLN 20 HG2 GLN 20 14.298 -6.479 2.714 163 HG3 GLN 20 HG3 GLN 20 13.780 -6.051 1.084 164 HE21 GLN 20 HE12 GLN 20 14.765 -8.745 3.127 165 HE22 GLN 20 HE22 GLN 20 13.870 -9.954 2.279 Start of MODEL 6 1 H1 SER 1 H SER 1 -3.250 -3.422 -5.800 2 HA SER 1 HA SER 1 -1.617 -3.917 -7.753 3 HB2 SER 1 HB2 SER 1 -2.283 -1.260 -6.565 4 HB3 SER 1 HB3 SER 1 -1.096 -1.315 -7.868 5 HG SER 1 HG SER 1 -2.630 -1.762 -9.243 6 H MET 2 H MET 2 -0.380 -1.844 -5.121 7 HA MET 2 HA MET 2 2.293 -1.877 -5.920 8 HB2 MET 2 HB2 MET 2 1.147 -1.595 -3.136 9 HB3 MET 2 HB3 MET 2 2.801 -1.206 -3.588 10 HG2 MET 2 HG2 MET 2 1.866 0.452 -5.215 11 HG3 MET 2 HG3 MET 2 0.284 0.154 -4.501 12 HE1 MET 2 HE1 MET 2 0.866 -0.019 -1.279 13 HE2 MET 2 HE2 MET 2 0.423 1.671 -1.043 14 HE3 MET 2 HE3 MET 2 -0.436 0.692 -2.233 15 H HIS 3 H HIS 3 0.523 -4.042 -3.751 16 HA HIS 3 HA HIS 3 2.759 -5.572 -2.939 17 HB2 HIS 3 HB2 HIS 3 -0.185 -5.815 -2.762 18 HB3 HIS 3 HB3 HIS 3 0.718 -7.324 -2.661 19 HD1 HIS 3 HD1 HIS 3 0.865 -7.918 -0.269 20 HD2 HIS 3 HD2 HIS 3 1.456 -3.852 -0.888 21 HE1 HIS 3 HE1 HIS 3 1.404 -6.964 1.995 22 HA PRO 4 HA PRO 4 3.527 -8.297 -6.288 23 HB2 PRO 4 HB2 PRO 4 3.992 -10.659 -5.032 24 HB3 PRO 4 HB3 PRO 4 5.127 -9.304 -4.981 25 HG2 PRO 4 HG2 PRO 4 3.109 -10.162 -2.943 26 HG3 PRO 4 HG3 PRO 4 4.784 -9.631 -2.705 27 HD2 PRO 4 HD2 PRO 4 2.664 -7.996 -2.293 28 HD3 PRO 4 HD3 PRO 4 4.232 -7.399 -2.873 29 H GLY 5 H GLY 5 1.115 -8.000 -6.806 30 HA2 GLY 5 HA2 GLY 5 -0.458 -10.414 -6.276 31 HA3 GLY 5 HA3 GLY 5 -1.067 -8.911 -6.954 32 H HIS 6 H HIS 6 1.250 -8.821 -8.849 33 HA HIS 6 HA HIS 6 -0.016 -10.275 -10.971 34 HB2 HIS 6 HB2 HIS 6 1.136 -8.014 -11.176 35 HB3 HIS 6 HB3 HIS 6 2.662 -8.890 -11.099 36 HD1 HIS 6 HD1 HIS 6 3.343 -10.270 -13.163 37 HD2 HIS 6 HD2 HIS 6 -0.293 -8.304 -13.575 38 HE1 HIS 6 HE1 HIS 6 2.773 -10.418 -15.607 39 H LEU 7 H LEU 7 3.058 -10.535 -9.226 40 HA LEU 7 HA LEU 7 3.989 -12.778 -10.716 41 HB2 LEU 7 HB2 LEU 7 5.670 -12.976 -8.912 42 HB3 LEU 7 HB3 LEU 7 5.577 -11.365 -9.621 43 HG LEU 7 HG LEU 7 3.869 -11.453 -7.339 44 HD11 LEU 7 HD11 LEU 7 6.353 -12.972 -7.070 45 HD12 LEU 7 HD12 LEU 7 4.920 -12.944 -6.043 46 HD13 LEU 7 HD13 LEU 7 6.153 -11.694 -5.871 47 HD21 LEU 7 HD21 LEU 7 4.619 -9.363 -7.631 48 HD22 LEU 7 HD22 LEU 7 6.097 -9.899 -8.430 49 HD23 LEU 7 HD23 LEU 7 6.000 -9.890 -6.669 50 H LYS 8 H LYS 8 1.619 -12.442 -8.360 51 HA LYS 8 HA LYS 8 1.701 -14.496 -6.636 52 HB2 LYS 8 HB2 LYS 8 -0.534 -13.377 -8.266 53 HB3 LYS 8 HB3 LYS 8 -0.838 -14.834 -7.329 54 HG2 LYS 8 HG2 LYS 8 -0.245 -13.708 -5.289 55 HG3 LYS 8 HG3 LYS 8 0.238 -12.265 -6.184 56 HD2 LYS 8 HD2 LYS 8 -1.875 -11.656 -5.538 57 HD3 LYS 8 HD3 LYS 8 -2.231 -12.412 -7.093 58 HE2 LYS 8 HE2 LYS 8 -2.239 -14.062 -4.602 59 HE3 LYS 8 HE3 LYS 8 -3.623 -13.036 -4.972 60 HZ1 LYS 8 HZ1 LYS 8 -4.302 -14.811 -6.129 61 HZ2 LYS 8 HZ2 LYS 8 -2.756 -15.487 -6.233 62 HZ3 LYS 8 HZ3 LYS 8 -3.222 -14.272 -7.314 63 H GLY 9 H GLY 9 1.272 -14.787 -10.107 64 HA2 GLY 9 HA2 GLY 9 0.496 -17.491 -10.205 65 HA3 GLY 9 HA3 GLY 9 1.286 -16.608 -11.503 66 H ARG 10 H ARG 10 3.095 -17.534 -12.164 67 HA ARG 10 HA ARG 10 4.482 -19.426 -10.476 68 HB2 ARG 10 HB2 ARG 10 4.087 -19.765 -12.940 69 HB3 ARG 10 HB3 ARG 10 5.252 -18.483 -13.239 70 HG2 ARG 10 HG2 ARG 10 6.626 -20.276 -13.429 71 HG3 ARG 10 HG3 ARG 10 6.769 -20.001 -11.691 72 HD2 ARG 10 HD2 ARG 10 4.572 -21.761 -12.626 73 HD3 ARG 10 HD3 ARG 10 6.215 -22.392 -12.723 74 HE ARG 10 HE ARG 10 5.946 -21.354 -10.183 75 HH11 ARG 10 HH11 ARG 10 4.409 -23.822 -12.097 76 HH12 ARG 10 HH12 ARG 10 3.997 -24.807 -10.733 77 HH21 ARG 10 HH21 ARG 10 5.410 -22.642 -8.379 78 HH22 ARG 10 HH22 ARG 10 4.566 -24.134 -8.618 79 H GLU 11 H GLU 11 4.948 -16.170 -11.666 80 HA GLU 11 HA GLU 11 7.666 -15.831 -11.198 81 HB2 GLU 11 HB2 GLU 11 5.315 -14.054 -11.399 82 HB3 GLU 11 HB3 GLU 11 6.698 -13.383 -10.546 83 HG2 GLU 11 HG2 GLU 11 6.542 -12.930 -13.032 84 HG3 GLU 11 HG3 GLU 11 8.081 -13.537 -12.422 85 H ILE 12 H ILE 12 5.088 -16.228 -8.966 86 HA ILE 12 HA ILE 12 5.917 -14.888 -6.712 87 HB ILE 12 HB ILE 12 3.823 -16.215 -6.890 88 HG12 ILE 12 HG12 ILE 12 5.375 -17.138 -4.482 89 HG13 ILE 12 HG13 ILE 12 4.954 -15.443 -4.700 90 HG21 ILE 12 HG21 ILE 12 5.234 -18.244 -7.777 91 HG22 ILE 12 HG22 ILE 12 5.310 -18.658 -6.065 92 HG23 ILE 12 HG23 ILE 12 3.747 -18.506 -6.867 93 HD11 ILE 12 HD11 ILE 12 2.557 -16.649 -5.105 94 HD12 ILE 12 HD12 ILE 12 3.293 -17.710 -3.904 95 HD13 ILE 12 HD13 ILE 12 3.112 -15.988 -3.567 96 H GLY 13 H GLY 13 7.369 -17.637 -8.238 97 HA2 GLY 13 HA2 GLY 13 8.773 -18.823 -6.169 98 HA3 GLY 13 HA3 GLY 13 9.350 -18.723 -7.826 99 H MET 14 H MET 14 9.477 -15.826 -7.866 100 HA MET 14 HA MET 14 12.075 -15.536 -6.659 101 HB2 MET 14 HB2 MET 14 10.372 -13.894 -8.484 102 HB3 MET 14 HB3 MET 14 11.687 -13.107 -7.620 103 HG2 MET 14 HG2 MET 14 13.198 -14.903 -8.557 104 HG3 MET 14 HG3 MET 14 11.855 -15.349 -9.606 105 HE1 MET 14 HE1 MET 14 11.623 -12.644 -12.201 106 HE2 MET 14 HE2 MET 14 11.662 -14.393 -11.970 107 HE3 MET 14 HE3 MET 14 10.556 -13.402 -11.018 108 H TRP 15 H TRP 15 8.829 -14.720 -5.853 109 HA TRP 15 HA TRP 15 9.083 -12.487 -4.261 110 HB2 TRP 15 HB2 TRP 15 6.958 -13.739 -4.833 111 HB3 TRP 15 HB3 TRP 15 7.366 -14.866 -3.542 112 HD1 TRP 15 HD1 TRP 15 8.036 -11.159 -2.999 113 HE1 TRP 15 HE1 TRP 15 6.409 -10.271 -1.213 114 HE3 TRP 15 HE3 TRP 15 5.001 -15.250 -2.558 115 HZ2 TRP 15 HZ2 TRP 15 4.141 -11.184 0.197 116 HZ3 TRP 15 HZ3 TRP 15 3.126 -15.161 -0.968 117 HH2 TRP 15 HH2 TRP 15 2.706 -13.170 0.381 118 H TYR 16 H TYR 16 9.173 -15.847 -3.055 119 HA TYR 16 HA TYR 16 9.942 -15.309 -0.461 120 HB2 TYR 16 HB2 TYR 16 9.424 -17.573 -1.822 121 HB3 TYR 16 HB3 TYR 16 11.177 -17.695 -1.718 122 HD1 TYR 16 HD2 TYR 16 8.178 -17.093 0.418 123 HD2 TYR 16 HD1 TYR 16 12.143 -18.619 0.179 124 HE1 TYR 16 HE2 TYR 16 7.976 -17.963 2.710 125 HE2 TYR 16 HE1 TYR 16 11.951 -19.493 2.470 126 HH TYR 16 HH TYR 16 10.665 -19.690 4.264 127 H ALA 17 H ALA 17 12.002 -15.807 -3.303 128 HA ALA 17 HA ALA 17 14.485 -15.715 -2.034 129 HB1 ALA 17 HB1 ALA 17 13.928 -16.301 -4.462 130 HB2 ALA 17 HB2 ALA 17 14.021 -14.566 -4.767 131 HB3 ALA 17 HB3 ALA 17 15.431 -15.430 -4.153 132 H LYS 18 H LYS 18 12.915 -13.042 -3.809 133 HA LYS 18 HA LYS 18 13.134 -10.781 -3.644 134 HB2 LYS 18 HB2 LYS 18 12.079 -11.513 -1.387 135 HB3 LYS 18 HB3 LYS 18 13.658 -11.141 -0.708 136 HG2 LYS 18 HG2 LYS 18 13.470 -8.850 -1.581 137 HG3 LYS 18 HG3 LYS 18 11.860 -9.234 -2.192 138 HD2 LYS 18 HD2 LYS 18 11.502 -8.155 -0.130 139 HD3 LYS 18 HD3 LYS 18 11.275 -9.874 0.201 140 HE2 LYS 18 HE2 LYS 18 13.805 -9.808 0.812 141 HE3 LYS 18 HE3 LYS 18 13.537 -8.073 0.969 142 HZ1 LYS 18 HZ1 LYS 18 11.700 -9.918 2.324 143 HZ2 LYS 18 HZ2 LYS 18 12.168 -8.353 2.761 144 HZ3 LYS 18 HZ3 LYS 18 13.227 -9.649 3.002 145 H LYS 19 H LYS 19 15.447 -11.957 -4.482 146 HA LYS 19 HA LYS 19 17.434 -10.092 -3.448 147 HB2 LYS 19 HB2 LYS 19 19.146 -11.803 -3.192 148 HB3 LYS 19 HB3 LYS 19 17.777 -12.153 -2.145 149 HG2 LYS 19 HG2 LYS 19 17.002 -13.644 -4.145 150 HG3 LYS 19 HG3 LYS 19 18.710 -13.580 -4.588 151 HD2 LYS 19 HD2 LYS 19 17.733 -14.379 -1.852 152 HD3 LYS 19 HD3 LYS 19 18.037 -15.535 -3.152 153 HE2 LYS 19 HE2 LYS 19 20.051 -15.584 -2.052 154 HE3 LYS 19 HE3 LYS 19 20.364 -14.334 -3.255 155 HZ1 LYS 19 HZ1 LYS 19 20.601 -12.798 -1.681 156 HZ2 LYS 19 HZ2 LYS 19 20.707 -14.073 -0.576 157 HZ3 LYS 19 HZ3 LYS 19 19.225 -13.300 -0.835 158 H GLN 20 H GLN 20 18.746 -9.306 -5.005 159 HA GLN 20 HA GLN 20 18.327 -10.316 -7.720 160 HB2 GLN 20 HB2 GLN 20 19.688 -7.758 -6.870 161 HB3 GLN 20 HB3 GLN 20 19.159 -8.189 -8.491 162 HG2 GLN 20 HG2 GLN 20 17.281 -7.861 -6.168 163 HG3 GLN 20 HG3 GLN 20 17.703 -6.557 -7.277 164 HE21 GLN 20 HE12 GLN 20 15.257 -6.725 -7.431 165 HE22 GLN 20 HE22 GLN 20 14.640 -7.737 -8.688 Start of MODEL 7 1 H1 SER 1 H SER 1 2.605 0.837 -2.761 2 HA SER 1 HA SER 1 4.252 0.764 -5.155 3 HB2 SER 1 HB2 SER 1 5.794 0.596 -3.138 4 HB3 SER 1 HB3 SER 1 5.021 -0.950 -2.789 5 HG SER 1 HG SER 1 6.255 -1.802 -4.245 6 H MET 2 H MET 2 3.898 -1.032 -6.433 7 HA MET 2 HA MET 2 1.454 -2.457 -5.914 8 HB2 MET 2 HB2 MET 2 3.374 -2.270 -8.194 9 HB3 MET 2 HB3 MET 2 2.264 -3.632 -8.136 10 HG2 MET 2 HG2 MET 2 1.098 -2.118 -9.405 11 HG3 MET 2 HG3 MET 2 0.450 -1.819 -7.794 12 HE1 MET 2 HE1 MET 2 -0.388 0.132 -7.640 13 HE2 MET 2 HE2 MET 2 0.421 1.699 -7.651 14 HE3 MET 2 HE3 MET 2 -0.241 1.038 -9.147 15 H HIS 3 H HIS 3 1.442 -4.124 -4.556 16 HA HIS 3 HA HIS 3 3.749 -5.659 -3.921 17 HB2 HIS 3 HB2 HIS 3 0.891 -5.655 -3.149 18 HB3 HIS 3 HB3 HIS 3 1.733 -7.193 -2.980 19 HD1 HIS 3 HD1 HIS 3 0.803 -4.609 -0.917 20 HD2 HIS 3 HD2 HIS 3 4.485 -6.393 -1.639 21 HE1 HIS 3 HE1 HIS 3 2.209 -4.088 1.102 22 HA PRO 4 HA PRO 4 3.700 -8.892 -6.884 23 HB2 PRO 4 HB2 PRO 4 4.300 -11.075 -5.386 24 HB3 PRO 4 HB3 PRO 4 5.482 -9.817 -5.768 25 HG2 PRO 4 HG2 PRO 4 3.880 -10.215 -3.271 26 HG3 PRO 4 HG3 PRO 4 5.591 -9.783 -3.445 27 HD2 PRO 4 HD2 PRO 4 3.675 -7.950 -2.896 28 HD3 PRO 4 HD3 PRO 4 5.120 -7.564 -3.852 29 H GLY 5 H GLY 5 1.249 -8.488 -6.967 30 HA2 GLY 5 HA2 GLY 5 -0.294 -10.675 -5.774 31 HA3 GLY 5 HA3 GLY 5 -0.957 -9.243 -6.548 32 H HIS 6 H HIS 6 0.928 -9.601 -8.845 33 HA HIS 6 HA HIS 6 -0.805 -11.247 -10.429 34 HB2 HIS 6 HB2 HIS 6 0.547 -9.102 -11.098 35 HB3 HIS 6 HB3 HIS 6 1.844 -10.251 -11.414 36 HD1 HIS 6 HD1 HIS 6 -0.278 -12.462 -12.496 37 HD2 HIS 6 HD2 HIS 6 0.245 -8.563 -13.832 38 HE1 HIS 6 HE1 HIS 6 -1.161 -12.434 -14.851 39 H LEU 7 H LEU 7 2.543 -11.484 -9.289 40 HA LEU 7 HA LEU 7 3.052 -13.981 -10.564 41 HB2 LEU 7 HB2 LEU 7 5.052 -14.043 -9.110 42 HB3 LEU 7 HB3 LEU 7 4.890 -12.549 -10.030 43 HG LEU 7 HG LEU 7 3.676 -12.180 -7.475 44 HD11 LEU 7 HD11 LEU 7 4.901 -13.542 -6.191 45 HD12 LEU 7 HD12 LEU 7 6.198 -12.378 -6.458 46 HD13 LEU 7 HD13 LEU 7 6.093 -13.827 -7.458 47 HD21 LEU 7 HD21 LEU 7 5.967 -10.701 -7.481 48 HD22 LEU 7 HD22 LEU 7 4.445 -10.214 -8.227 49 HD23 LEU 7 HD23 LEU 7 5.704 -10.969 -9.204 50 H LYS 8 H LYS 8 1.225 -13.133 -7.877 51 HA LYS 8 HA LYS 8 1.560 -14.917 -5.902 52 HB2 LYS 8 HB2 LYS 8 -0.905 -13.880 -7.225 53 HB3 LYS 8 HB3 LYS 8 -1.079 -15.160 -6.030 54 HG2 LYS 8 HG2 LYS 8 -0.036 -13.799 -4.345 55 HG3 LYS 8 HG3 LYS 8 0.322 -12.541 -5.531 56 HD2 LYS 8 HD2 LYS 8 -1.997 -12.053 -5.821 57 HD3 LYS 8 HD3 LYS 8 -2.471 -13.465 -4.874 58 HE2 LYS 8 HE2 LYS 8 -1.768 -12.491 -2.864 59 HE3 LYS 8 HE3 LYS 8 -0.795 -11.275 -3.690 60 HZ1 LYS 8 HZ1 LYS 8 -3.551 -11.193 -2.953 61 HZ2 LYS 8 HZ2 LYS 8 -3.340 -10.855 -4.597 62 HZ3 LYS 8 HZ3 LYS 8 -2.529 -9.933 -3.434 63 H GLY 9 H GLY 9 0.426 -15.671 -9.137 64 HA2 GLY 9 HA2 GLY 9 -0.475 -18.295 -8.661 65 HA3 GLY 9 HA3 GLY 9 0.075 -17.670 -10.209 66 H ARG 10 H ARG 10 1.669 -18.815 -11.053 67 HA ARG 10 HA ARG 10 3.282 -20.543 -9.391 68 HB2 ARG 10 HB2 ARG 10 2.377 -21.192 -11.656 69 HB3 ARG 10 HB3 ARG 10 3.532 -20.070 -12.362 70 HG2 ARG 10 HG2 ARG 10 5.337 -21.383 -11.174 71 HG3 ARG 10 HG3 ARG 10 4.096 -22.591 -10.834 72 HD2 ARG 10 HD2 ARG 10 5.131 -23.342 -12.796 73 HD3 ARG 10 HD3 ARG 10 3.640 -22.578 -13.344 74 HE ARG 10 HE ARG 10 5.917 -20.820 -13.337 75 HH11 ARG 10 HH11 ARG 10 4.121 -23.185 -15.154 76 HH12 ARG 10 HH12 ARG 10 4.680 -22.618 -16.693 77 HH21 ARG 10 HH21 ARG 10 6.660 -20.065 -15.357 78 HH22 ARG 10 HH22 ARG 10 6.125 -20.844 -16.807 79 H GLU 11 H GLU 11 3.644 -17.536 -11.142 80 HA GLU 11 HA GLU 11 6.413 -17.339 -11.266 81 HB2 GLU 11 HB2 GLU 11 4.152 -15.438 -11.284 82 HB3 GLU 11 HB3 GLU 11 5.707 -14.757 -10.828 83 HG2 GLU 11 HG2 GLU 11 5.205 -14.563 -13.237 84 HG3 GLU 11 HG3 GLU 11 6.692 -15.446 -12.894 85 H ILE 12 H ILE 12 4.325 -17.217 -8.544 86 HA ILE 12 HA ILE 12 5.652 -15.633 -6.729 87 HB ILE 12 HB ILE 12 3.508 -16.809 -6.289 88 HG12 ILE 12 HG12 ILE 12 5.355 -17.582 -4.068 89 HG13 ILE 12 HG13 ILE 12 5.235 -15.884 -4.516 90 HG21 ILE 12 HG21 ILE 12 5.037 -19.216 -5.418 91 HG22 ILE 12 HG22 ILE 12 3.340 -19.063 -5.871 92 HG23 ILE 12 HG23 ILE 12 4.590 -19.044 -7.115 93 HD11 ILE 12 HD11 ILE 12 3.234 -15.660 -3.559 94 HD12 ILE 12 HD12 ILE 12 2.654 -17.204 -4.182 95 HD13 ILE 12 HD13 ILE 12 3.640 -17.157 -2.721 96 H GLY 13 H GLY 13 6.640 -18.673 -8.060 97 HA2 GLY 13 HA2 GLY 13 8.379 -19.652 -6.142 98 HA3 GLY 13 HA3 GLY 13 8.613 -19.835 -7.874 99 H MET 14 H MET 14 8.858 -16.991 -8.390 100 HA MET 14 HA MET 14 11.658 -16.726 -7.768 101 HB2 MET 14 HB2 MET 14 10.585 -16.093 -9.973 102 HB3 MET 14 HB3 MET 14 9.893 -14.704 -9.147 103 HG2 MET 14 HG2 MET 14 11.778 -13.804 -10.095 104 HG3 MET 14 HG3 MET 14 12.343 -14.202 -8.474 105 HE1 MET 14 HE1 MET 14 15.305 -14.711 -11.039 106 HE2 MET 14 HE2 MET 14 14.221 -13.452 -10.447 107 HE3 MET 14 HE3 MET 14 15.179 -14.399 -9.308 108 H TRP 15 H TRP 15 8.683 -15.562 -6.485 109 HA TRP 15 HA TRP 15 9.353 -13.149 -5.341 110 HB2 TRP 15 HB2 TRP 15 7.104 -14.307 -5.288 111 HB3 TRP 15 HB3 TRP 15 7.714 -15.266 -3.942 112 HD1 TRP 15 HD1 TRP 15 8.634 -11.575 -4.130 113 HE1 TRP 15 HE1 TRP 15 7.450 -10.324 -2.217 114 HE3 TRP 15 HE3 TRP 15 5.599 -15.333 -2.457 115 HZ2 TRP 15 HZ2 TRP 15 5.490 -10.859 -0.258 116 HZ3 TRP 15 HZ3 TRP 15 4.100 -14.882 -0.559 117 HH2 TRP 15 HH2 TRP 15 4.048 -12.691 0.517 118 H TYR 16 H TYR 16 9.517 -16.289 -3.647 119 HA TYR 16 HA TYR 16 10.833 -15.436 -1.378 120 HB2 TYR 16 HB2 TYR 16 9.924 -17.826 -2.221 121 HB3 TYR 16 HB3 TYR 16 11.651 -18.082 -2.441 122 HD1 TYR 16 HD1 TYR 16 9.207 -16.881 0.112 123 HD2 TYR 16 HD2 TYR 16 12.922 -18.812 -0.645 124 HE1 TYR 16 HE1 TYR 16 9.433 -17.375 2.511 125 HE2 TYR 16 HE2 TYR 16 13.158 -19.312 1.752 126 HH TYR 16 HH TYR 16 12.317 -18.998 3.789 127 H ALA 17 H ALA 17 12.262 -16.633 -4.404 128 HA ALA 17 HA ALA 17 14.935 -16.575 -3.722 129 HB1 ALA 17 HB1 ALA 17 14.676 -15.598 -6.388 130 HB2 ALA 17 HB2 ALA 17 15.131 -17.211 -5.837 131 HB3 ALA 17 HB3 ALA 17 13.433 -16.815 -6.099 132 H LYS 18 H LYS 18 12.799 -13.916 -4.499 133 HA LYS 18 HA LYS 18 14.807 -11.948 -4.887 134 HB2 LYS 18 HB2 LYS 18 12.346 -11.840 -5.572 135 HB3 LYS 18 HB3 LYS 18 12.009 -11.415 -3.899 136 HG2 LYS 18 HG2 LYS 18 12.177 -9.332 -4.777 137 HG3 LYS 18 HG3 LYS 18 13.874 -9.597 -4.370 138 HD2 LYS 18 HD2 LYS 18 14.483 -9.946 -6.573 139 HD3 LYS 18 HD3 LYS 18 12.851 -10.412 -7.058 140 HE2 LYS 18 HE2 LYS 18 13.410 -7.630 -6.107 141 HE3 LYS 18 HE3 LYS 18 13.793 -8.095 -7.764 142 HZ1 LYS 18 HZ1 LYS 18 11.359 -7.262 -6.825 143 HZ2 LYS 18 HZ2 LYS 18 11.175 -8.932 -7.016 144 HZ3 LYS 18 HZ3 LYS 18 11.663 -7.980 -8.326 145 H LYS 19 H LYS 19 15.870 -10.672 -3.479 146 HA LYS 19 HA LYS 19 15.052 -10.670 -0.665 147 HB2 LYS 19 HB2 LYS 19 16.990 -12.346 -1.354 148 HB3 LYS 19 HB3 LYS 19 17.967 -10.886 -1.266 149 HG2 LYS 19 HG2 LYS 19 16.168 -11.490 1.015 150 HG3 LYS 19 HG3 LYS 19 17.623 -12.470 0.817 151 HD2 LYS 19 HD2 LYS 19 18.737 -10.086 0.505 152 HD3 LYS 19 HD3 LYS 19 17.342 -9.579 1.459 153 HE2 LYS 19 HE2 LYS 19 17.960 -10.956 3.273 154 HE3 LYS 19 HE3 LYS 19 19.126 -11.849 2.298 155 HZ1 LYS 19 HZ1 LYS 19 20.037 -9.326 2.108 156 HZ2 LYS 19 HZ2 LYS 19 20.600 -10.468 3.221 157 HZ3 LYS 19 HZ3 LYS 19 19.429 -9.339 3.687 158 H GLN 20 H GLN 20 15.643 -8.829 0.497 159 HA GLN 20 HA GLN 20 16.566 -6.590 -1.173 160 HB2 GLN 20 HB2 GLN 20 14.585 -6.812 1.037 161 HB3 GLN 20 HB3 GLN 20 15.494 -5.312 0.908 162 HG2 GLN 20 HG2 GLN 20 13.469 -5.012 -0.276 163 HG3 GLN 20 HG3 GLN 20 14.754 -5.165 -1.473 164 HE21 GLN 20 HE12 GLN 20 12.026 -6.744 0.024 165 HE22 GLN 20 HE22 GLN 20 11.794 -7.939 -1.202 Start of MODEL 8 1 H1 SER 1 H SER 1 2.154 2.574 -3.627 2 HA SER 1 HA SER 1 4.298 0.637 -4.177 3 HB2 SER 1 HB2 SER 1 4.219 0.064 -1.815 4 HB3 SER 1 HB3 SER 1 4.391 1.811 -1.985 5 HG SER 1 HG SER 1 2.363 0.357 -0.878 6 H MET 2 H MET 2 3.515 -1.010 -5.334 7 HA MET 2 HA MET 2 0.866 -2.083 -4.655 8 HB2 MET 2 HB2 MET 2 1.062 -3.267 -6.861 9 HB3 MET 2 HB3 MET 2 1.013 -1.513 -6.970 10 HG2 MET 2 HG2 MET 2 3.393 -1.421 -7.315 11 HG3 MET 2 HG3 MET 2 3.528 -3.160 -7.066 12 HE1 MET 2 HE1 MET 2 4.663 -1.890 -10.170 13 HE2 MET 2 HE2 MET 2 4.934 -3.150 -8.965 14 HE3 MET 2 HE3 MET 2 4.334 -3.577 -10.568 15 H HIS 3 H HIS 3 0.593 -4.415 -4.616 16 HA HIS 3 HA HIS 3 2.954 -5.737 -3.478 17 HB2 HIS 3 HB2 HIS 3 0.030 -5.941 -3.016 18 HB3 HIS 3 HB3 HIS 3 0.951 -7.437 -2.887 19 HD1 HIS 3 HD1 HIS 3 3.499 -6.314 -1.540 20 HD2 HIS 3 HD2 HIS 3 -0.382 -5.392 -0.377 21 HE1 HIS 3 HE1 HIS 3 3.671 -5.590 0.863 22 HA PRO 4 HA PRO 4 3.343 -8.638 -6.744 23 HB2 PRO 4 HB2 PRO 4 3.898 -10.943 -5.421 24 HB3 PRO 4 HB3 PRO 4 5.051 -9.610 -5.553 25 HG2 PRO 4 HG2 PRO 4 3.235 -10.327 -3.283 26 HG3 PRO 4 HG3 PRO 4 4.933 -9.817 -3.240 27 HD2 PRO 4 HD2 PRO 4 2.889 -8.125 -2.703 28 HD3 PRO 4 HD3 PRO 4 4.400 -7.587 -3.465 29 H GLY 5 H GLY 5 0.951 -8.374 -7.150 30 HA2 GLY 5 HA2 GLY 5 -0.660 -10.651 -6.258 31 HA3 GLY 5 HA3 GLY 5 -1.258 -9.219 -7.083 32 H HIS 6 H HIS 6 0.829 -9.354 -9.148 33 HA HIS 6 HA HIS 6 -0.558 -11.083 -10.960 34 HB2 HIS 6 HB2 HIS 6 0.592 -8.835 -11.479 35 HB3 HIS 6 HB3 HIS 6 2.088 -9.762 -11.524 36 HD1 HIS 6 HD1 HIS 6 1.977 -8.807 -14.093 37 HD2 HIS 6 HD2 HIS 6 -0.688 -11.823 -13.059 38 HE1 HIS 6 HE1 HIS 6 1.195 -9.790 -16.272 39 H LEU 7 H LEU 7 2.527 -11.175 -9.264 40 HA LEU 7 HA LEU 7 3.352 -13.613 -10.580 41 HB2 LEU 7 HB2 LEU 7 5.276 -13.501 -9.033 42 HB3 LEU 7 HB3 LEU 7 5.059 -12.042 -9.997 43 HG LEU 7 HG LEU 7 3.689 -11.625 -7.564 44 HD11 LEU 7 HD11 LEU 7 4.768 -12.992 -6.151 45 HD12 LEU 7 HD12 LEU 7 6.064 -11.802 -6.271 46 HD13 LEU 7 HD13 LEU 7 6.109 -13.258 -7.266 47 HD21 LEU 7 HD21 LEU 7 6.358 -10.440 -7.890 48 HD22 LEU 7 HD22 LEU 7 4.791 -9.667 -7.653 49 HD23 LEU 7 HD23 LEU 7 5.268 -10.223 -9.258 50 H LYS 8 H LYS 8 1.353 -12.812 -7.995 51 HA LYS 8 HA LYS 8 1.716 -14.541 -5.970 52 HB2 LYS 8 HB2 LYS 8 -0.610 -14.519 -5.570 53 HB3 LYS 8 HB3 LYS 8 -0.271 -13.002 -6.392 54 HG2 LYS 8 HG2 LYS 8 -2.090 -13.627 -7.578 55 HG3 LYS 8 HG3 LYS 8 -0.866 -14.481 -8.521 56 HD2 LYS 8 HD2 LYS 8 -1.506 -16.529 -7.750 57 HD3 LYS 8 HD3 LYS 8 -2.027 -15.897 -6.186 58 HE2 LYS 8 HE2 LYS 8 -3.493 -15.499 -8.793 59 HE3 LYS 8 HE3 LYS 8 -3.901 -16.712 -7.580 60 HZ1 LYS 8 HZ1 LYS 8 -3.907 -14.545 -6.072 61 HZ2 LYS 8 HZ2 LYS 8 -5.280 -15.077 -6.903 62 HZ3 LYS 8 HZ3 LYS 8 -4.333 -13.832 -7.545 63 H GLY 9 H GLY 9 0.775 -15.403 -9.233 64 HA2 GLY 9 HA2 GLY 9 -0.040 -18.055 -8.751 65 HA3 GLY 9 HA3 GLY 9 0.563 -17.433 -10.281 66 H ARG 10 H ARG 10 2.295 -18.444 -11.020 67 HA ARG 10 HA ARG 10 3.862 -20.123 -9.263 68 HB2 ARG 10 HB2 ARG 10 3.427 -19.867 -12.147 69 HB3 ARG 10 HB3 ARG 10 5.102 -20.196 -11.723 70 HG2 ARG 10 HG2 ARG 10 4.272 -22.317 -11.963 71 HG3 ARG 10 HG3 ARG 10 4.061 -22.063 -10.229 72 HD2 ARG 10 HD2 ARG 10 1.858 -21.327 -12.105 73 HD3 ARG 10 HD3 ARG 10 2.106 -23.021 -11.680 74 HE ARG 10 HE ARG 10 1.076 -20.933 -9.983 75 HH11 ARG 10 HH11 ARG 10 2.600 -24.061 -10.103 76 HH12 ARG 10 HH12 ARG 10 2.047 -24.535 -8.531 77 HH21 ARG 10 HH21 ARG 10 0.342 -21.546 -7.912 78 HH22 ARG 10 HH22 ARG 10 0.762 -23.104 -7.286 79 H GLU 11 H GLU 11 4.241 -17.116 -11.035 80 HA GLU 11 HA GLU 11 6.994 -16.793 -10.910 81 HB2 GLU 11 HB2 GLU 11 4.666 -14.969 -11.111 82 HB3 GLU 11 HB3 GLU 11 6.185 -14.242 -10.608 83 HG2 GLU 11 HG2 GLU 11 5.762 -14.141 -13.049 84 HG3 GLU 11 HG3 GLU 11 7.270 -14.940 -12.610 85 H ILE 12 H ILE 12 4.667 -16.718 -8.384 86 HA ILE 12 HA ILE 12 5.752 -15.056 -6.486 87 HB ILE 12 HB ILE 12 3.644 -16.346 -6.215 88 HG12 ILE 12 HG12 ILE 12 5.551 -16.771 -3.909 89 HG13 ILE 12 HG13 ILE 12 4.850 -15.209 -4.317 90 HG21 ILE 12 HG21 ILE 12 3.568 -18.601 -5.754 91 HG22 ILE 12 HG22 ILE 12 4.899 -18.525 -6.908 92 HG23 ILE 12 HG23 ILE 12 5.235 -18.649 -5.181 93 HD11 ILE 12 HD11 ILE 12 3.543 -16.089 -2.574 94 HD12 ILE 12 HD12 ILE 12 2.592 -16.301 -4.044 95 HD13 ILE 12 HD13 ILE 12 3.446 -17.674 -3.341 96 H GLY 13 H GLY 13 7.002 -18.065 -7.668 97 HA2 GLY 13 HA2 GLY 13 8.623 -18.918 -5.595 98 HA3 GLY 13 HA3 GLY 13 9.012 -19.114 -7.298 99 H MET 14 H MET 14 9.163 -16.279 -7.857 100 HA MET 14 HA MET 14 11.877 -15.852 -6.991 101 HB2 MET 14 HB2 MET 14 10.029 -14.213 -8.731 102 HB3 MET 14 HB3 MET 14 11.703 -13.788 -8.404 103 HG2 MET 14 HG2 MET 14 10.884 -16.398 -9.645 104 HG3 MET 14 HG3 MET 14 11.264 -14.955 -10.583 105 HE1 MET 14 HE1 MET 14 14.788 -15.444 -11.303 106 HE2 MET 14 HE2 MET 14 13.132 -15.183 -11.850 107 HE3 MET 14 HE3 MET 14 13.918 -13.989 -10.817 108 H TRP 15 H TRP 15 8.740 -14.820 -6.018 109 HA TRP 15 HA TRP 15 9.166 -12.347 -4.890 110 HB2 TRP 15 HB2 TRP 15 6.980 -13.543 -4.982 111 HB3 TRP 15 HB3 TRP 15 7.524 -14.569 -3.658 112 HD1 TRP 15 HD1 TRP 15 8.311 -10.839 -3.567 113 HE1 TRP 15 HE1 TRP 15 6.961 -9.751 -1.666 114 HE3 TRP 15 HE3 TRP 15 5.340 -14.805 -2.311 115 HZ2 TRP 15 HZ2 TRP 15 4.908 -10.479 0.130 116 HZ3 TRP 15 HZ3 TRP 15 3.709 -14.527 -0.490 117 HH2 TRP 15 HH2 TRP 15 3.500 -12.408 0.705 118 H TYR 16 H TYR 16 9.363 -15.423 -3.087 119 HA TYR 16 HA TYR 16 10.684 -14.212 -0.871 120 HB2 TYR 16 HB2 TYR 16 10.719 -16.366 0.099 121 HB3 TYR 16 HB3 TYR 16 9.238 -16.318 -0.850 122 HD1 TYR 16 HD1 TYR 16 12.628 -17.718 -0.635 123 HD2 TYR 16 HD2 TYR 16 8.963 -17.713 -2.797 124 HE1 TYR 16 HE1 TYR 16 13.331 -19.755 -1.820 125 HE2 TYR 16 HE2 TYR 16 9.656 -19.751 -3.987 126 HH TYR 16 HH TYR 16 11.170 -21.596 -3.753 127 H ALA 17 H ALA 17 11.734 -15.698 -3.821 128 HA ALA 17 HA ALA 17 14.356 -16.405 -3.111 129 HB1 ALA 17 HB1 ALA 17 13.024 -16.935 -5.254 130 HB2 ALA 17 HB2 ALA 17 13.655 -15.396 -5.842 131 HB3 ALA 17 HB3 ALA 17 14.766 -16.687 -5.381 132 H LYS 18 H LYS 18 12.926 -13.339 -4.016 133 HA LYS 18 HA LYS 18 15.326 -11.931 -4.515 134 HB2 LYS 18 HB2 LYS 18 12.577 -11.002 -3.683 135 HB3 LYS 18 HB3 LYS 18 13.892 -9.895 -4.054 136 HG2 LYS 18 HG2 LYS 18 13.292 -11.949 -6.088 137 HG3 LYS 18 HG3 LYS 18 12.082 -10.686 -5.853 138 HD2 LYS 18 HD2 LYS 18 13.392 -9.652 -7.408 139 HD3 LYS 18 HD3 LYS 18 14.231 -9.133 -5.945 140 HE2 LYS 18 HE2 LYS 18 16.013 -10.522 -6.310 141 HE3 LYS 18 HE3 LYS 18 15.050 -11.702 -7.198 142 HZ1 LYS 18 HZ1 LYS 18 15.813 -9.030 -8.245 143 HZ2 LYS 18 HZ2 LYS 18 15.020 -10.259 -9.095 144 HZ3 LYS 18 HZ3 LYS 18 16.626 -10.469 -8.608 145 H LYS 19 H LYS 19 16.046 -10.048 -3.143 146 HA LYS 19 HA LYS 19 15.922 -10.719 -0.279 147 HB2 LYS 19 HB2 LYS 19 18.299 -10.057 -0.090 148 HB3 LYS 19 HB3 LYS 19 18.069 -11.465 -1.118 149 HG2 LYS 19 HG2 LYS 19 18.582 -10.304 -3.049 150 HG3 LYS 19 HG3 LYS 19 18.214 -8.737 -2.326 151 HD2 LYS 19 HD2 LYS 19 20.497 -8.643 -2.304 152 HD3 LYS 19 HD3 LYS 19 20.219 -9.402 -0.735 153 HE2 LYS 19 HE2 LYS 19 20.544 -11.114 -3.159 154 HE3 LYS 19 HE3 LYS 19 21.970 -10.399 -2.409 155 HZ1 LYS 19 HZ1 LYS 19 21.537 -12.600 -1.532 156 HZ2 LYS 19 HZ2 LYS 19 19.984 -12.138 -1.049 157 HZ3 LYS 19 HZ3 LYS 19 21.339 -11.441 -0.316 158 H GLN 20 H GLN 20 16.103 -8.974 1.175 159 HA GLN 20 HA GLN 20 14.994 -6.522 0.188 160 HB2 GLN 20 HB2 GLN 20 14.463 -7.595 2.419 161 HB3 GLN 20 HB3 GLN 20 16.044 -7.053 2.967 162 HG2 GLN 20 HG2 GLN 20 14.291 -5.533 3.682 163 HG3 GLN 20 HG3 GLN 20 15.409 -4.742 2.572 164 HE21 GLN 20 HE12 GLN 20 14.226 -3.273 1.552 165 HE22 GLN 20 HE22 GLN 20 12.742 -3.578 0.723 Start of MODEL 9 1 H1 SER 1 H SER 1 4.862 1.054 -2.197 2 HA SER 1 HA SER 1 2.850 -0.212 -1.001 3 HB2 SER 1 HB2 SER 1 2.767 2.104 -1.990 4 HB3 SER 1 HB3 SER 1 2.369 1.362 -3.539 5 HG SER 1 HG SER 1 0.642 2.079 -1.849 6 H MET 2 H MET 2 3.396 -0.466 -4.515 7 HA MET 2 HA MET 2 1.376 -2.385 -4.962 8 HB2 MET 2 HB2 MET 2 2.502 -0.922 -6.695 9 HB3 MET 2 HB3 MET 2 3.872 -2.022 -6.620 10 HG2 MET 2 HG2 MET 2 2.378 -3.871 -7.283 11 HG3 MET 2 HG3 MET 2 1.063 -2.710 -7.447 12 HE1 MET 2 HE1 MET 2 0.598 -3.260 -10.125 13 HE2 MET 2 HE2 MET 2 0.439 -1.652 -9.417 14 HE3 MET 2 HE3 MET 2 1.217 -1.851 -10.988 15 H HIS 3 H HIS 3 1.324 -4.365 -4.140 16 HA HIS 3 HA HIS 3 3.813 -5.737 -3.480 17 HB2 HIS 3 HB2 HIS 3 0.986 -5.947 -2.625 18 HB3 HIS 3 HB3 HIS 3 1.886 -7.460 -2.686 19 HD1 HIS 3 HD1 HIS 3 1.849 -7.675 -0.112 20 HD2 HIS 3 HD2 HIS 3 3.748 -4.251 -1.502 21 HE1 HIS 3 HE1 HIS 3 3.079 -6.737 1.870 22 HA PRO 4 HA PRO 4 3.782 -8.566 -6.831 23 HB2 PRO 4 HB2 PRO 4 4.515 -10.894 -5.643 24 HB3 PRO 4 HB3 PRO 4 5.635 -9.551 -5.896 25 HG2 PRO 4 HG2 PRO 4 4.137 -10.329 -3.424 26 HG3 PRO 4 HG3 PRO 4 5.823 -9.808 -3.592 27 HD2 PRO 4 HD2 PRO 4 3.861 -8.141 -2.755 28 HD3 PRO 4 HD3 PRO 4 5.256 -7.576 -3.697 29 H GLY 5 H GLY 5 1.336 -8.285 -6.855 30 HA2 GLY 5 HA2 GLY 5 -0.107 -10.630 -5.856 31 HA3 GLY 5 HA3 GLY 5 -0.833 -9.161 -6.491 32 H HIS 6 H HIS 6 1.093 -9.283 -8.813 33 HA HIS 6 HA HIS 6 -0.617 -10.807 -10.541 34 HB2 HIS 6 HB2 HIS 6 0.934 -8.601 -10.909 35 HB3 HIS 6 HB3 HIS 6 1.955 -9.846 -11.621 36 HD1 HIS 6 HD1 HIS 6 0.096 -11.567 -13.150 37 HD2 HIS 6 HD2 HIS 6 -0.407 -7.448 -12.942 38 HE1 HIS 6 HE1 HIS 6 -1.285 -10.956 -15.161 39 H LEU 7 H LEU 7 2.770 -11.055 -9.499 40 HA LEU 7 HA LEU 7 3.303 -13.435 -10.956 41 HB2 LEU 7 HB2 LEU 7 5.313 -13.580 -9.514 42 HB3 LEU 7 HB3 LEU 7 5.122 -12.027 -10.324 43 HG LEU 7 HG LEU 7 3.916 -11.852 -7.749 44 HD11 LEU 7 HD11 LEU 7 5.150 -13.297 -6.567 45 HD12 LEU 7 HD12 LEU 7 6.436 -12.104 -6.743 46 HD13 LEU 7 HD13 LEU 7 6.349 -13.476 -7.848 47 HD21 LEU 7 HD21 LEU 7 4.797 -9.831 -7.990 48 HD22 LEU 7 HD22 LEU 7 5.579 -10.374 -9.475 49 HD23 LEU 7 HD23 LEU 7 6.428 -10.498 -7.934 50 H LYS 8 H LYS 8 1.485 -12.852 -8.192 51 HA LYS 8 HA LYS 8 1.872 -14.787 -6.377 52 HB2 LYS 8 HB2 LYS 8 -0.617 -13.683 -7.588 53 HB3 LYS 8 HB3 LYS 8 -0.768 -15.077 -6.526 54 HG2 LYS 8 HG2 LYS 8 0.271 -13.868 -4.718 55 HG3 LYS 8 HG3 LYS 8 0.575 -12.488 -5.776 56 HD2 LYS 8 HD2 LYS 8 -1.344 -11.848 -4.639 57 HD3 LYS 8 HD3 LYS 8 -1.989 -12.512 -6.142 58 HE2 LYS 8 HE2 LYS 8 -2.815 -14.391 -5.114 59 HE3 LYS 8 HE3 LYS 8 -1.631 -14.330 -3.810 60 HZ1 LYS 8 HZ1 LYS 8 -2.828 -12.706 -2.693 61 HZ2 LYS 8 HZ2 LYS 8 -4.041 -13.729 -3.280 62 HZ3 LYS 8 HZ3 LYS 8 -3.722 -12.261 -4.059 63 H GLY 9 H GLY 9 0.725 -15.295 -9.655 64 HA2 GLY 9 HA2 GLY 9 -0.116 -17.967 -9.395 65 HA3 GLY 9 HA3 GLY 9 0.413 -17.205 -10.888 66 H ARG 10 H ARG 10 2.032 -18.231 -11.831 67 HA ARG 10 HA ARG 10 3.685 -20.064 -10.328 68 HB2 ARG 10 HB2 ARG 10 3.039 -19.585 -13.140 69 HB3 ARG 10 HB3 ARG 10 4.736 -19.965 -12.876 70 HG2 ARG 10 HG2 ARG 10 2.453 -21.641 -11.860 71 HG3 ARG 10 HG3 ARG 10 3.309 -21.934 -13.375 72 HD2 ARG 10 HD2 ARG 10 5.423 -22.108 -12.072 73 HD3 ARG 10 HD3 ARG 10 4.470 -21.976 -10.593 74 HE ARG 10 HE ARG 10 4.812 -24.299 -12.202 75 HH11 ARG 10 HH11 ARG 10 2.534 -22.632 -10.164 76 HH12 ARG 10 HH12 ARG 10 1.679 -24.072 -9.719 77 HH21 ARG 10 HH21 ARG 10 3.695 -26.202 -11.624 78 HH22 ARG 10 HH22 ARG 10 2.341 -26.102 -10.550 79 H GLU 11 H GLU 11 3.984 -16.914 -11.822 80 HA GLU 11 HA GLU 11 6.748 -16.650 -11.923 81 HB2 GLU 11 HB2 GLU 11 4.450 -14.796 -11.779 82 HB3 GLU 11 HB3 GLU 11 5.998 -14.128 -11.283 83 HG2 GLU 11 HG2 GLU 11 5.462 -13.757 -13.668 84 HG3 GLU 11 HG3 GLU 11 6.973 -14.624 -13.404 85 H ILE 12 H ILE 12 4.657 -16.796 -9.205 86 HA ILE 12 HA ILE 12 5.949 -15.340 -7.263 87 HB ILE 12 HB ILE 12 3.832 -16.599 -6.928 88 HG12 ILE 12 HG12 ILE 12 5.756 -17.458 -4.791 89 HG13 ILE 12 HG13 ILE 12 5.462 -15.746 -5.074 90 HG21 ILE 12 HG21 ILE 12 4.717 -18.715 -7.962 91 HG22 ILE 12 HG22 ILE 12 5.575 -19.004 -6.450 92 HG23 ILE 12 HG23 ILE 12 3.813 -18.926 -6.463 93 HD11 ILE 12 HD11 ILE 12 3.792 -15.974 -3.626 94 HD12 ILE 12 HD12 ILE 12 2.929 -16.781 -4.937 95 HD13 ILE 12 HD13 ILE 12 3.813 -17.734 -3.745 96 H GLY 13 H GLY 13 7.004 -18.239 -8.837 97 HA2 GLY 13 HA2 GLY 13 8.766 -19.331 -7.004 98 HA3 GLY 13 HA3 GLY 13 9.002 -19.368 -8.745 99 H MET 14 H MET 14 9.184 -16.487 -9.028 100 HA MET 14 HA MET 14 11.977 -16.211 -8.385 101 HB2 MET 14 HB2 MET 14 10.028 -14.354 -9.755 102 HB3 MET 14 HB3 MET 14 11.740 -14.008 -9.554 103 HG2 MET 14 HG2 MET 14 10.688 -16.429 -10.990 104 HG3 MET 14 HG3 MET 14 11.088 -14.909 -11.788 105 HE1 MET 14 HE1 MET 14 11.894 -17.995 -10.271 106 HE2 MET 14 HE2 MET 14 13.271 -18.421 -11.287 107 HE3 MET 14 HE3 MET 14 13.532 -17.896 -9.623 108 H TRP 15 H TRP 15 8.979 -15.221 -7.014 109 HA TRP 15 HA TRP 15 9.598 -12.895 -5.677 110 HB2 TRP 15 HB2 TRP 15 7.373 -14.091 -5.719 111 HB3 TRP 15 HB3 TRP 15 8.003 -15.157 -4.466 112 HD1 TRP 15 HD1 TRP 15 8.856 -11.448 -4.318 113 HE1 TRP 15 HE1 TRP 15 7.654 -10.397 -2.300 114 HE3 TRP 15 HE3 TRP 15 5.893 -15.397 -2.991 115 HZ2 TRP 15 HZ2 TRP 15 5.708 -11.143 -0.396 116 HZ3 TRP 15 HZ3 TRP 15 4.390 -15.147 -1.059 117 HH2 TRP 15 HH2 TRP 15 4.301 -13.064 0.210 118 H TYR 16 H TYR 16 9.868 -16.172 -4.283 119 HA TYR 16 HA TYR 16 11.139 -15.495 -1.930 120 HB2 TYR 16 HB2 TYR 16 10.344 -17.829 -3.038 121 HB3 TYR 16 HB3 TYR 16 12.087 -17.985 -3.222 122 HD1 TYR 16 HD2 TYR 16 9.455 -17.276 -0.686 123 HD2 TYR 16 HD1 TYR 16 13.393 -18.707 -1.428 124 HE1 TYR 16 HE2 TYR 16 9.631 -17.990 1.661 125 HE2 TYR 16 HE1 TYR 16 13.580 -19.426 0.917 126 HH TYR 16 HH TYR 16 12.226 -19.966 2.790 127 H ALA 17 H ALA 17 12.604 -16.256 -5.071 128 HA ALA 17 HA ALA 17 15.278 -16.196 -4.378 129 HB1 ALA 17 HB1 ALA 17 14.356 -16.817 -6.605 130 HB2 ALA 17 HB2 ALA 17 14.136 -15.099 -6.942 131 HB3 ALA 17 HB3 ALA 17 15.756 -15.747 -6.683 132 H LYS 18 H LYS 18 13.035 -13.553 -4.754 133 HA LYS 18 HA LYS 18 14.950 -11.466 -4.938 134 HB2 LYS 18 HB2 LYS 18 12.521 -11.304 -5.578 135 HB3 LYS 18 HB3 LYS 18 12.134 -11.266 -3.863 136 HG2 LYS 18 HG2 LYS 18 13.301 -9.199 -3.577 137 HG3 LYS 18 HG3 LYS 18 13.928 -9.271 -5.226 138 HD2 LYS 18 HD2 LYS 18 11.921 -8.676 -6.160 139 HD3 LYS 18 HD3 LYS 18 10.978 -9.351 -4.829 140 HE2 LYS 18 HE2 LYS 18 10.800 -6.962 -4.750 141 HE3 LYS 18 HE3 LYS 18 11.792 -7.491 -3.392 142 HZ1 LYS 18 HZ1 LYS 18 13.593 -7.049 -5.381 143 HZ2 LYS 18 HZ2 LYS 18 13.254 -5.993 -4.105 144 HZ3 LYS 18 HZ3 LYS 18 12.478 -5.795 -5.595 145 H LYS 19 H LYS 19 15.962 -10.286 -3.398 146 HA LYS 19 HA LYS 19 15.176 -10.296 -0.651 147 HB2 LYS 19 HB2 LYS 19 16.505 -12.528 -1.209 148 HB3 LYS 19 HB3 LYS 19 17.894 -11.466 -1.022 149 HG2 LYS 19 HG2 LYS 19 15.835 -11.379 1.102 150 HG3 LYS 19 HG3 LYS 19 16.840 -12.827 1.002 151 HD2 LYS 19 HD2 LYS 19 18.786 -11.667 1.464 152 HD3 LYS 19 HD3 LYS 19 18.119 -10.126 0.916 153 HE2 LYS 19 HE2 LYS 19 17.210 -11.586 3.392 154 HE3 LYS 19 HE3 LYS 19 18.417 -10.301 3.388 155 HZ1 LYS 19 HZ1 LYS 19 15.592 -10.043 2.510 156 HZ2 LYS 19 HZ2 LYS 19 16.746 -8.808 2.452 157 HZ3 LYS 19 HZ3 LYS 19 16.248 -9.431 3.944 158 H GLN 20 H GLN 20 16.169 -8.676 0.522 159 HA GLN 20 HA GLN 20 18.302 -7.166 -0.818 160 HB2 GLN 20 HB2 GLN 20 15.787 -5.995 0.381 161 HB3 GLN 20 HB3 GLN 20 17.172 -5.052 -0.151 162 HG2 GLN 20 HG2 GLN 20 16.738 -5.403 -2.370 163 HG3 GLN 20 HG3 GLN 20 15.887 -6.918 -2.076 164 HE21 GLN 20 HE12 GLN 20 13.738 -6.832 -1.279 165 HE22 GLN 20 HE22 GLN 20 12.754 -5.436 -1.542 Start of MODEL 10 1 H1 SER 1 H SER 1 2.981 3.259 -4.951 2 HA SER 1 HA SER 1 4.008 0.821 -4.637 3 HB2 SER 1 HB2 SER 1 2.577 2.390 -2.481 4 HB3 SER 1 HB3 SER 1 3.662 1.035 -2.170 5 HG SER 1 HG SER 1 5.317 2.286 -2.535 6 H MET 2 H MET 2 3.131 -1.068 -5.198 7 HA MET 2 HA MET 2 0.512 -1.764 -4.041 8 HB2 MET 2 HB2 MET 2 -0.056 -3.002 -6.006 9 HB3 MET 2 HB3 MET 2 0.462 -1.404 -6.525 10 HG2 MET 2 HG2 MET 2 2.660 -2.307 -7.101 11 HG3 MET 2 HG3 MET 2 2.129 -3.908 -6.591 12 HE1 MET 2 HE1 MET 2 -0.902 -3.992 -7.699 13 HE2 MET 2 HE2 MET 2 -0.574 -4.814 -9.225 14 HE3 MET 2 HE3 MET 2 0.284 -5.296 -7.761 15 H HIS 3 H HIS 3 0.281 -4.340 -4.373 16 HA HIS 3 HA HIS 3 2.705 -5.498 -3.162 17 HB2 HIS 3 HB2 HIS 3 1.018 -7.196 -2.207 18 HB3 HIS 3 HB3 HIS 3 1.056 -5.585 -1.495 19 HD1 HIS 3 HD1 HIS 3 -0.759 -6.674 -4.646 20 HD2 HIS 3 HD2 HIS 3 -1.557 -5.213 -0.839 21 HE1 HIS 3 HE1 HIS 3 -3.236 -6.243 -4.597 22 HA PRO 4 HA PRO 4 2.998 -8.461 -6.384 23 HB2 PRO 4 HB2 PRO 4 3.841 -10.663 -5.040 24 HB3 PRO 4 HB3 PRO 4 4.877 -9.261 -5.331 25 HG2 PRO 4 HG2 PRO 4 3.342 -10.004 -2.871 26 HG3 PRO 4 HG3 PRO 4 4.995 -9.377 -3.012 27 HD2 PRO 4 HD2 PRO 4 2.894 -7.807 -2.339 28 HD3 PRO 4 HD3 PRO 4 4.282 -7.200 -3.264 29 H GLY 5 H GLY 5 0.539 -8.349 -6.502 30 HA2 GLY 5 HA2 GLY 5 -0.780 -10.729 -5.419 31 HA3 GLY 5 HA3 GLY 5 -1.578 -9.353 -6.166 32 H HIS 6 H HIS 6 0.235 -9.343 -8.471 33 HA HIS 6 HA HIS 6 -1.223 -11.169 -10.111 34 HB2 HIS 6 HB2 HIS 6 0.400 -8.871 -10.505 35 HB3 HIS 6 HB3 HIS 6 1.086 -10.173 -11.472 36 HD1 HIS 6 HD1 HIS 6 -2.223 -8.392 -10.962 37 HD2 HIS 6 HD2 HIS 6 -0.214 -10.643 -13.819 38 HE1 HIS 6 HE1 HIS 6 -3.667 -8.310 -13.019 39 H LEU 7 H LEU 7 2.012 -11.099 -8.734 40 HA LEU 7 HA LEU 7 2.840 -13.479 -10.150 41 HB2 LEU 7 HB2 LEU 7 4.897 -13.270 -8.817 42 HB3 LEU 7 HB3 LEU 7 4.494 -11.796 -9.695 43 HG LEU 7 HG LEU 7 3.374 -11.594 -7.093 44 HD11 LEU 7 HD11 LEU 7 4.769 -12.835 -5.864 45 HD12 LEU 7 HD12 LEU 7 5.944 -11.556 -6.171 46 HD13 LEU 7 HD13 LEU 7 5.932 -13.003 -7.179 47 HD21 LEU 7 HD21 LEU 7 3.913 -9.560 -7.878 48 HD22 LEU 7 HD22 LEU 7 5.248 -10.174 -8.852 49 HD23 LEU 7 HD23 LEU 7 5.476 -9.881 -7.127 50 H LYS 8 H LYS 8 1.059 -12.803 -7.373 51 HA LYS 8 HA LYS 8 1.706 -14.531 -5.418 52 HB2 LYS 8 HB2 LYS 8 -0.552 -14.601 -4.774 53 HB3 LYS 8 HB3 LYS 8 -0.393 -13.083 -5.649 54 HG2 LYS 8 HG2 LYS 8 -1.330 -14.158 -7.650 55 HG3 LYS 8 HG3 LYS 8 -1.533 -15.652 -6.732 56 HD2 LYS 8 HD2 LYS 8 -3.043 -14.510 -5.191 57 HD3 LYS 8 HD3 LYS 8 -2.821 -13.001 -6.079 58 HE2 LYS 8 HE2 LYS 8 -4.883 -13.967 -6.791 59 HE3 LYS 8 HE3 LYS 8 -3.723 -14.156 -8.104 60 HZ1 LYS 8 HZ1 LYS 8 -5.202 -16.142 -7.378 61 HZ2 LYS 8 HZ2 LYS 8 -4.053 -16.328 -6.152 62 HZ3 LYS 8 HZ3 LYS 8 -3.579 -16.407 -7.774 63 H GLY 9 H GLY 9 0.487 -15.404 -8.584 64 HA2 GLY 9 HA2 GLY 9 -0.143 -18.100 -8.058 65 HA3 GLY 9 HA3 GLY 9 0.258 -17.433 -9.633 66 H ARG 10 H ARG 10 1.936 -18.367 -10.570 67 HA ARG 10 HA ARG 10 3.777 -19.964 -9.012 68 HB2 ARG 10 HB2 ARG 10 2.811 -20.603 -11.287 69 HB3 ARG 10 HB3 ARG 10 3.924 -19.428 -11.974 70 HG2 ARG 10 HG2 ARG 10 5.084 -21.434 -10.143 71 HG3 ARG 10 HG3 ARG 10 4.509 -22.017 -11.707 72 HD2 ARG 10 HD2 ARG 10 5.844 -19.993 -12.649 73 HD3 ARG 10 HD3 ARG 10 6.675 -20.047 -11.095 74 HE ARG 10 HE ARG 10 7.736 -21.972 -11.758 75 HH11 ARG 10 HH11 ARG 10 5.122 -21.269 -13.948 76 HH12 ARG 10 HH12 ARG 10 5.585 -22.481 -15.096 77 HH21 ARG 10 HH21 ARG 10 8.356 -23.570 -13.263 78 HH22 ARG 10 HH22 ARG 10 7.425 -23.789 -14.706 79 H GLU 11 H GLU 11 3.790 -16.931 -10.774 80 HA GLU 11 HA GLU 11 6.519 -16.467 -10.978 81 HB2 GLU 11 HB2 GLU 11 4.088 -14.787 -10.913 82 HB3 GLU 11 HB3 GLU 11 5.590 -13.964 -10.516 83 HG2 GLU 11 HG2 GLU 11 4.838 -13.948 -12.945 84 HG3 GLU 11 HG3 GLU 11 6.515 -14.378 -12.612 85 H ILE 12 H ILE 12 4.514 -16.537 -8.191 86 HA ILE 12 HA ILE 12 5.728 -14.835 -6.412 87 HB ILE 12 HB ILE 12 3.741 -16.253 -5.915 88 HG12 ILE 12 HG12 ILE 12 5.806 -16.713 -3.782 89 HG13 ILE 12 HG13 ILE 12 5.290 -15.081 -4.188 90 HG21 ILE 12 HG21 ILE 12 3.854 -18.508 -5.484 91 HG22 ILE 12 HG22 ILE 12 5.056 -18.348 -6.764 92 HG23 ILE 12 HG23 ILE 12 5.570 -18.455 -5.080 93 HD11 ILE 12 HD11 ILE 12 4.134 -16.601 -2.302 94 HD12 ILE 12 HD12 ILE 12 3.294 -15.329 -3.190 95 HD13 ILE 12 HD13 ILE 12 3.130 -17.012 -3.692 96 H GLY 13 H GLY 13 6.991 -17.757 -7.782 97 HA2 GLY 13 HA2 GLY 13 8.895 -18.534 -5.932 98 HA3 GLY 13 HA3 GLY 13 9.084 -18.695 -7.672 99 H MET 14 H MET 14 9.001 -15.843 -8.191 100 HA MET 14 HA MET 14 11.776 -15.273 -7.667 101 HB2 MET 14 HB2 MET 14 9.712 -13.530 -9.022 102 HB3 MET 14 HB3 MET 14 11.459 -13.345 -9.102 103 HG2 MET 14 HG2 MET 14 11.477 -15.682 -10.131 104 HG3 MET 14 HG3 MET 14 9.742 -15.461 -10.344 105 HE1 MET 14 HE1 MET 14 13.339 -13.815 -12.140 106 HE2 MET 14 HE2 MET 14 12.917 -15.415 -11.531 107 HE3 MET 14 HE3 MET 14 12.616 -15.007 -13.221 108 H TRP 15 H TRP 15 8.738 -14.437 -6.282 109 HA TRP 15 HA TRP 15 9.165 -11.961 -5.166 110 HB2 TRP 15 HB2 TRP 15 7.065 -13.327 -5.008 111 HB3 TRP 15 HB3 TRP 15 7.839 -14.273 -3.739 112 HD1 TRP 15 HD1 TRP 15 8.204 -10.458 -3.922 113 HE1 TRP 15 HE1 TRP 15 7.072 -9.430 -1.852 114 HE3 TRP 15 HE3 TRP 15 6.060 -14.678 -1.990 115 HZ2 TRP 15 HZ2 TRP 15 5.481 -10.293 0.313 116 HZ3 TRP 15 HZ3 TRP 15 4.750 -14.491 0.084 117 HH2 TRP 15 HH2 TRP 15 4.467 -12.343 1.211 118 H TYR 16 H TYR 16 9.770 -15.043 -3.468 119 HA TYR 16 HA TYR 16 11.297 -13.785 -1.416 120 HB2 TYR 16 HB2 TYR 16 11.580 -15.946 -0.504 121 HB3 TYR 16 HB3 TYR 16 9.987 -15.973 -1.251 122 HD1 TYR 16 HD1 TYR 16 13.450 -17.172 -1.510 123 HD2 TYR 16 HD2 TYR 16 9.538 -17.357 -3.171 124 HE1 TYR 16 HE1 TYR 16 14.106 -19.149 -2.819 125 HE2 TYR 16 HE2 TYR 16 10.182 -19.335 -4.484 126 HH TYR 16 HH TYR 16 12.240 -20.366 -5.368 127 H ALA 17 H ALA 17 12.040 -15.202 -4.497 128 HA ALA 17 HA ALA 17 14.735 -15.813 -4.200 129 HB1 ALA 17 HB1 ALA 17 14.910 -15.666 -6.582 130 HB2 ALA 17 HB2 ALA 17 13.326 -16.333 -6.187 131 HB3 ALA 17 HB3 ALA 17 13.475 -14.645 -6.675 132 H LYS 18 H LYS 18 13.153 -12.732 -4.432 133 HA LYS 18 HA LYS 18 15.560 -11.262 -5.037 134 HB2 LYS 18 HB2 LYS 18 13.263 -10.535 -5.744 135 HB3 LYS 18 HB3 LYS 18 12.908 -10.197 -4.055 136 HG2 LYS 18 HG2 LYS 18 13.490 -8.125 -4.903 137 HG3 LYS 18 HG3 LYS 18 14.984 -8.679 -4.143 138 HD2 LYS 18 HD2 LYS 18 16.024 -9.066 -6.164 139 HD3 LYS 18 HD3 LYS 18 14.499 -9.281 -7.027 140 HE2 LYS 18 HE2 LYS 18 14.132 -6.771 -6.454 141 HE3 LYS 18 HE3 LYS 18 15.877 -6.755 -6.206 142 HZ1 LYS 18 HZ1 LYS 18 16.197 -7.518 -8.452 143 HZ2 LYS 18 HZ2 LYS 18 15.241 -6.123 -8.470 144 HZ3 LYS 18 HZ3 LYS 18 14.528 -7.640 -8.699 145 H LYS 19 H LYS 19 16.967 -11.843 -3.351 146 HA LYS 19 HA LYS 19 16.197 -11.046 -0.640 147 HB2 LYS 19 HB2 LYS 19 18.723 -12.455 -1.510 148 HB3 LYS 19 HB3 LYS 19 18.100 -12.300 0.127 149 HG2 LYS 19 HG2 LYS 19 16.057 -13.590 -0.751 150 HG3 LYS 19 HG3 LYS 19 17.099 -14.016 -2.111 151 HD2 LYS 19 HD2 LYS 19 17.470 -15.784 -0.678 152 HD3 LYS 19 HD3 LYS 19 18.785 -14.693 -0.233 153 HE2 LYS 19 HE2 LYS 19 17.894 -15.356 1.817 154 HE3 LYS 19 HE3 LYS 19 17.159 -13.779 1.531 155 HZ1 LYS 19 HZ1 LYS 19 15.496 -15.680 0.374 156 HZ2 LYS 19 HZ2 LYS 19 15.190 -14.735 1.743 157 HZ3 LYS 19 HZ3 LYS 19 15.893 -16.265 1.911 158 H GLN 20 H GLN 20 17.130 -9.381 0.433 159 HA GLN 20 HA GLN 20 18.243 -7.245 -0.920 160 HB2 GLN 20 HB2 GLN 20 18.773 -6.302 1.232 161 HB3 GLN 20 HB3 GLN 20 17.237 -7.150 1.353 162 HG2 GLN 20 HG2 GLN 20 18.716 -9.132 2.172 163 HG3 GLN 20 HG3 GLN 20 19.890 -7.861 2.509 164 HE21 GLN 20 HE12 GLN 20 16.942 -9.348 3.447 165 HE22 GLN 20 HE22 GLN 20 16.668 -8.416 4.876
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