NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637738 | 6dzb | 30488 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 11.168 0.210 -0.516 2 HA2 GLY 1 HA2 GLY 1 11.440 2.464 -0.035 3 HA3 GLY 1 HA1 GLY 1 10.761 2.849 -1.607 4 H SER 2 HN SER 2 8.495 2.855 -1.848 5 HA SER 2 HA SER 2 7.001 4.291 -0.120 6 HB2 SER 2 HB2 SER 2 5.335 2.229 -1.277 7 HB3 SER 2 HB1 SER 2 5.403 3.946 -1.650 8 HG SER 2 HG SER 2 7.158 3.528 -3.004 9 H ARG 3 HN ARG 3 5.260 3.755 1.366 10 HA ARG 3 HA ARG 3 5.558 1.144 2.706 11 HB2 ARG 3 HB2 ARG 3 6.886 2.824 3.948 12 HB3 ARG 3 HB1 ARG 3 5.439 3.817 4.124 13 HG2 ARG 3 HG2 ARG 3 4.772 2.601 5.895 14 HG3 ARG 3 HG1 ARG 3 4.853 1.117 4.944 15 HD2 ARG 3 HD2 ARG 3 7.195 2.445 6.336 16 HD3 ARG 3 HD1 ARG 3 6.355 1.003 6.900 17 HE ARG 3 HE ARG 3 8.328 1.123 4.811 18 HH11 ARG 3 HH11 ARG 3 8.803 -0.837 3.768 19 HH12 ARG 3 HH12 ARG 3 7.723 -2.182 3.930 20 HH21 ARG 3 HH21 ARG 3 5.492 -0.486 5.971 21 HH22 ARG 3 HH22 ARG 3 5.850 -1.984 5.177 22 H GLY 4 HN GLY 4 3.547 1.451 0.997 23 HA2 GLY 4 HA2 GLY 4 1.250 0.709 1.987 24 HA3 GLY 4 HA1 GLY 4 1.196 2.395 2.493 25 H PHE 5 HN PHE 5 -0.189 0.539 0.375 26 HA PHE 5 HA PHE 5 -0.157 2.567 -1.778 27 HB2 PHE 5 HB2 PHE 5 -0.066 -0.437 -1.998 28 HB3 PHE 5 HB1 PHE 5 -0.669 0.569 -3.315 29 HD1 PHE 5 HD1 PHE 5 2.272 -0.515 -1.448 30 HD2 PHE 5 HD2 PHE 5 0.818 2.248 -4.398 31 HE1 PHE 5 HE1 PHE 5 4.604 -0.034 -2.148 32 HE2 PHE 5 HE2 PHE 5 3.148 2.727 -5.099 33 HZ PHE 5 HZ PHE 5 5.041 1.586 -3.974 34 H ARG 6 HN ARG 6 -2.129 3.167 -2.561 35 HA ARG 6 HA ARG 6 -4.432 2.541 -0.992 36 HB2 ARG 6 HB2 ARG 6 -3.682 4.501 -2.929 37 HB3 ARG 6 HB1 ARG 6 -5.196 3.765 -3.448 38 HG2 ARG 6 HG2 ARG 6 -6.133 4.150 -1.176 39 HG3 ARG 6 HG1 ARG 6 -4.636 4.964 -0.722 40 HD2 ARG 6 HD2 ARG 6 -5.017 6.547 -2.652 41 HD3 ARG 6 HD1 ARG 6 -6.603 5.812 -2.863 42 HE ARG 6 HE ARG 6 -6.207 6.674 -0.164 43 HH11 ARG 6 HH11 ARG 6 -7.363 8.512 0.506 44 HH12 ARG 6 HH12 ARG 6 -8.048 9.576 -0.678 45 HH21 ARG 6 HH21 ARG 6 -6.906 7.732 -3.384 46 HH22 ARG 6 HH22 ARG 6 -7.790 9.135 -2.880 47 H PHE 7 HN PHE 7 -4.805 0.336 -1.137 48 HA PHE 7 HA PHE 7 -5.688 -0.656 -3.779 49 HB2 PHE 7 HB2 PHE 7 -3.820 -1.730 -1.869 50 HB3 PHE 7 HB1 PHE 7 -5.172 -2.838 -2.075 51 HD1 PHE 7 HD1 PHE 7 -2.183 -1.464 -3.566 52 HD2 PHE 7 HD2 PHE 7 -5.848 -3.533 -4.427 53 HE1 PHE 7 HE1 PHE 7 -1.266 -2.175 -5.758 54 HE2 PHE 7 HE2 PHE 7 -4.931 -4.243 -6.620 55 HZ PHE 7 HZ PHE 7 -2.640 -3.565 -7.285 56 HA DPR 8 HA DPR 8 -9.554 -1.863 -2.001 57 HB2 DPR 8 HB2 DPR 8 -10.657 -0.929 -3.789 58 HB3 DPR 8 HB1 DPR 8 -11.127 0.309 -2.608 59 HG2 DPR 8 HG2 DPR 8 -9.814 0.935 -4.840 60 HG3 DPR 8 HG1 DPR 8 -9.525 1.784 -3.311 61 HD2 DPR 8 HD2 DPR 8 -7.807 -0.225 -4.699 62 HD3 DPR 8 HD1 DPR 8 -7.337 1.133 -3.654 63 HA PRO 9 HA PRO 9 -10.618 1.030 1.432 64 HB2 PRO 9 HB2 PRO 9 -11.958 -0.761 2.988 65 HB3 PRO 9 HB1 PRO 9 -12.722 0.111 1.646 66 HG2 PRO 9 HG2 PRO 9 -11.813 -2.696 1.798 67 HG3 PRO 9 HG1 PRO 9 -13.158 -1.985 0.894 68 HD2 PRO 9 HD2 PRO 9 -10.668 -2.696 -0.179 69 HD3 PRO 9 HD1 PRO 9 -11.863 -1.633 -0.955 70 H LYS 10 HN LYS 10 -8.242 -0.847 0.924 71 HA LYS 10 HA LYS 10 -7.332 -0.927 3.730 72 HB2 LYS 10 HB2 LYS 10 -6.735 -3.172 1.787 73 HB3 LYS 10 HB1 LYS 10 -6.402 -3.125 3.515 74 HG2 LYS 10 HG2 LYS 10 -8.758 -3.291 4.051 75 HG3 LYS 10 HG1 LYS 10 -9.213 -3.066 2.362 76 HD2 LYS 10 HD2 LYS 10 -7.329 -5.261 2.676 77 HD3 LYS 10 HD1 LYS 10 -8.784 -5.506 3.644 78 HE2 LYS 10 HE2 LYS 10 -8.757 -4.813 0.693 79 HE3 LYS 10 HE1 LYS 10 -9.044 -6.423 1.353 80 HZ1 LYS 10 HZ1 LYS 10 -11.173 -5.811 1.372 81 HZ2 LYS 10 HZ2 LYS 10 -10.811 -4.160 1.194 82 HZ3 LYS 10 HZ3 LYS 10 -10.780 -4.880 2.734 83 H ILE 11 HN ILE 11 -5.059 -0.805 3.979 84 HA ILE 11 HA ILE 11 -3.637 0.221 1.593 85 HB ILE 11 HB ILE 11 -3.712 1.151 4.439 86 HG12 ILE 11 HG12 ILE 11 -4.889 2.134 2.276 87 HG13 ILE 11 HG11 ILE 11 -4.197 3.212 3.486 88 HG21 ILE 11 HG21 ILE 11 -1.596 2.502 3.791 89 HG22 ILE 11 HG22 ILE 11 -1.345 1.253 2.571 90 HG23 ILE 11 HG23 ILE 11 -1.381 0.822 4.281 91 HD11 ILE 11 HD11 ILE 11 -2.284 3.651 2.175 92 HD12 ILE 11 HD12 ILE 11 -3.599 3.646 1.002 93 HD13 ILE 11 HD13 ILE 11 -2.548 2.239 1.154 94 H ILE 12 HN ILE 12 -1.909 -0.925 0.984 95 HA ILE 12 HA ILE 12 -0.455 -2.498 3.013 96 HB ILE 12 HB ILE 12 -0.736 -3.761 0.357 97 HG12 ILE 12 HG12 ILE 12 -3.035 -3.552 2.327 98 HG13 ILE 12 HG11 ILE 12 -3.032 -3.013 0.647 99 HG21 ILE 12 HG21 ILE 12 0.459 -4.638 2.459 100 HG22 ILE 12 HG22 ILE 12 -0.641 -5.753 1.649 101 HG23 ILE 12 HG23 ILE 12 -1.153 -4.919 3.116 102 HD11 ILE 12 HD11 ILE 12 -2.330 -5.572 0.250 103 HD12 ILE 12 HD12 ILE 12 -4.017 -5.069 0.342 104 HD13 ILE 12 HD13 ILE 12 -3.229 -5.774 1.753 105 H PHE 13 HN PHE 13 1.701 -3.128 2.347 106 HA PHE 13 HA PHE 13 2.964 -1.064 0.722 107 HB2 PHE 13 HB2 PHE 13 4.927 -2.789 1.654 108 HB3 PHE 13 HB1 PHE 13 4.432 -1.277 2.411 109 HD1 PHE 13 HD1 PHE 13 2.624 -1.301 4.165 110 HD2 PHE 13 HD2 PHE 13 4.397 -4.900 2.631 111 HE1 PHE 13 HE1 PHE 13 1.745 -2.562 6.111 112 HE2 PHE 13 HE2 PHE 13 3.518 -6.162 4.577 113 HZ PHE 13 HZ PHE 13 2.192 -4.993 6.317 114 H ASN 14 HN ASN 14 4.110 -1.460 -1.149 115 HA ASN 14 HA ASN 14 4.194 -4.228 -2.150 116 HB2 ASN 14 HB2 ASN 14 2.205 -3.185 -3.122 117 HB3 ASN 14 HB1 ASN 14 3.173 -1.844 -3.711 118 HD21 ASN 14 HD21 ASN 14 2.017 -4.972 -4.513 119 HD22 ASN 14 HD22 ASN 14 2.991 -5.228 -5.878 120 H GLU 15 HN GLU 15 4.833 -1.565 -4.252 121 HA GLU 15 HA GLU 15 7.391 -2.360 -4.967 122 HB2 GLU 15 HB2 GLU 15 5.648 -0.258 -5.624 123 HB3 GLU 15 HB1 GLU 15 7.146 0.517 -5.109 124 HG2 GLU 15 HG2 GLU 15 8.426 -0.893 -6.667 125 HG3 GLU 15 HG1 GLU 15 6.941 -1.697 -7.171 126 H ARG 16 HN ARG 16 9.384 -2.118 -4.131 127 HA ARG 16 HA ARG 16 9.937 -1.639 -1.509 128 HB2 ARG 16 HB2 ARG 16 11.459 -2.143 -3.743 129 HB3 ARG 16 HB1 ARG 16 12.011 -0.536 -3.272 130 HG2 ARG 16 HG2 ARG 16 13.398 -2.020 -2.047 131 HG3 ARG 16 HG1 ARG 16 12.187 -1.483 -0.883 132 HD2 ARG 16 HD2 ARG 16 10.966 -3.672 -2.046 133 HD3 ARG 16 HD1 ARG 16 12.660 -4.163 -2.000 134 HE ARG 16 HE ARG 16 11.979 -3.058 0.526 135 HH11 ARG 16 HH11 ARG 16 11.533 -4.472 2.243 136 HH12 ARG 16 HH12 ARG 16 11.086 -6.114 1.919 137 HH21 ARG 16 HH21 ARG 16 11.287 -5.767 -1.525 138 HH22 ARG 16 HH22 ARG 16 10.946 -6.847 -0.214 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 10.665 1.234 1.474 2 HA2 GLY 1 HA2 GLY 1 12.214 2.901 0.773 3 HA3 GLY 1 HA1 GLY 1 12.110 2.270 -0.867 4 H SER 2 HN SER 2 9.047 2.283 0.239 5 HA SER 2 HA SER 2 8.509 5.087 -0.497 6 HB2 SER 2 HB2 SER 2 8.149 3.697 -2.500 7 HB3 SER 2 HB1 SER 2 7.039 2.676 -1.592 8 HG SER 2 HG SER 2 5.554 4.119 -1.908 9 H ARG 3 HN ARG 3 5.598 4.138 -0.558 10 HA ARG 3 HA ARG 3 5.173 3.707 2.323 11 HB2 ARG 3 HB2 ARG 3 5.053 6.147 1.891 12 HB3 ARG 3 HB1 ARG 3 3.784 5.856 0.702 13 HG2 ARG 3 HG2 ARG 3 2.250 5.120 2.338 14 HG3 ARG 3 HG1 ARG 3 3.520 4.838 3.530 15 HD2 ARG 3 HD2 ARG 3 3.716 7.082 4.059 16 HD3 ARG 3 HD1 ARG 3 3.165 7.613 2.473 17 HE ARG 3 HE ARG 3 0.931 6.493 3.466 18 HH11 ARG 3 HH11 ARG 3 -0.564 7.516 4.835 19 HH12 ARG 3 HH12 ARG 3 -0.040 8.795 5.880 20 HH21 ARG 3 HH21 ARG 3 3.264 8.654 4.834 21 HH22 ARG 3 HH22 ARG 3 2.127 9.438 5.880 22 H GLY 4 HN GLY 4 2.892 3.124 2.806 23 HA2 GLY 4 HA2 GLY 4 1.989 0.911 1.506 24 HA3 GLY 4 HA1 GLY 4 0.912 1.999 2.376 25 H PHE 5 HN PHE 5 0.101 0.541 0.123 26 HA PHE 5 HA PHE 5 -0.188 2.650 -1.935 27 HB2 PHE 5 HB2 PHE 5 -0.238 -0.362 -2.196 28 HB3 PHE 5 HB1 PHE 5 -0.694 0.745 -3.492 29 HD1 PHE 5 HD1 PHE 5 2.088 -0.389 -1.326 30 HD2 PHE 5 HD2 PHE 5 0.956 2.023 -4.695 31 HE1 PHE 5 HE1 PHE 5 4.478 -0.101 -1.924 32 HE2 PHE 5 HE2 PHE 5 3.346 2.310 -5.294 33 HZ PHE 5 HZ PHE 5 5.107 1.248 -3.908 34 H ARG 6 HN ARG 6 -2.213 3.159 -2.672 35 HA ARG 6 HA ARG 6 -4.419 2.522 -0.930 36 HB2 ARG 6 HB2 ARG 6 -4.104 4.766 -1.966 37 HB3 ARG 6 HB1 ARG 6 -4.427 4.047 -3.544 38 HG2 ARG 6 HG2 ARG 6 -6.505 3.200 -1.790 39 HG3 ARG 6 HG1 ARG 6 -6.315 4.941 -1.580 40 HD2 ARG 6 HD2 ARG 6 -6.609 3.547 -4.254 41 HD3 ARG 6 HD1 ARG 6 -7.910 4.378 -3.405 42 HE ARG 6 HE ARG 6 -5.700 5.616 -4.830 43 HH11 ARG 6 HH11 ARG 6 -5.828 7.878 -5.002 44 HH12 ARG 6 HH12 ARG 6 -6.964 8.752 -4.029 45 HH21 ARG 6 HH21 ARG 6 -8.207 5.917 -2.467 46 HH22 ARG 6 HH22 ARG 6 -8.311 7.641 -2.593 47 H PHE 7 HN PHE 7 -4.766 0.300 -1.164 48 HA PHE 7 HA PHE 7 -5.770 -0.573 -3.804 49 HB2 PHE 7 HB2 PHE 7 -3.897 -1.747 -1.952 50 HB3 PHE 7 HB1 PHE 7 -5.271 -2.821 -2.190 51 HD1 PHE 7 HD1 PHE 7 -2.247 -1.494 -3.626 52 HD2 PHE 7 HD2 PHE 7 -5.995 -3.362 -4.584 53 HE1 PHE 7 HE1 PHE 7 -1.359 -2.135 -5.851 54 HE2 PHE 7 HE2 PHE 7 -5.106 -4.003 -6.809 55 HZ PHE 7 HZ PHE 7 -2.788 -3.389 -7.443 56 HA DPR 8 HA DPR 8 -9.633 -1.748 -1.997 57 HB2 DPR 8 HB2 DPR 8 -10.737 -0.727 -3.738 58 HB3 DPR 8 HB1 DPR 8 -11.168 0.474 -2.505 59 HG2 DPR 8 HG2 DPR 8 -9.872 1.160 -4.729 60 HG3 DPR 8 HG1 DPR 8 -9.545 1.943 -3.173 61 HD2 DPR 8 HD2 DPR 8 -7.888 -0.044 -4.663 62 HD3 DPR 8 HD1 DPR 8 -7.376 1.262 -3.571 63 HA PRO 9 HA PRO 9 -10.608 1.066 1.534 64 HB2 PRO 9 HB2 PRO 9 -11.926 -0.766 3.071 65 HB3 PRO 9 HB1 PRO 9 -12.713 0.174 1.790 66 HG2 PRO 9 HG2 PRO 9 -11.852 -2.652 1.799 67 HG3 PRO 9 HG1 PRO 9 -13.211 -1.882 0.967 68 HD2 PRO 9 HD2 PRO 9 -10.785 -2.599 -0.219 69 HD3 PRO 9 HD1 PRO 9 -11.965 -1.459 -0.903 70 H LYS 10 HN LYS 10 -8.323 -0.970 0.924 71 HA LYS 10 HA LYS 10 -7.361 -1.148 3.716 72 HB2 LYS 10 HB2 LYS 10 -7.055 -3.238 1.546 73 HB3 LYS 10 HB1 LYS 10 -6.267 -3.298 3.120 74 HG2 LYS 10 HG2 LYS 10 -9.272 -3.193 2.695 75 HG3 LYS 10 HG1 LYS 10 -8.359 -4.660 3.040 76 HD2 LYS 10 HD2 LYS 10 -7.484 -3.110 5.078 77 HD3 LYS 10 HD1 LYS 10 -9.089 -2.418 4.850 78 HE2 LYS 10 HE2 LYS 10 -8.391 -5.303 5.430 79 HE3 LYS 10 HE1 LYS 10 -9.346 -4.205 6.426 80 HZ1 LYS 10 HZ1 LYS 10 -10.312 -4.547 3.724 81 HZ2 LYS 10 HZ2 LYS 10 -11.166 -4.534 5.192 82 HZ3 LYS 10 HZ3 LYS 10 -10.381 -5.949 4.675 83 H ILE 11 HN ILE 11 -5.100 -1.002 3.980 84 HA ILE 11 HA ILE 11 -3.661 0.155 1.665 85 HB ILE 11 HB ILE 11 -3.768 0.937 4.553 86 HG12 ILE 11 HG12 ILE 11 -4.899 2.041 2.426 87 HG13 ILE 11 HG11 ILE 11 -4.216 3.050 3.699 88 HG21 ILE 11 HG21 ILE 11 -1.436 0.597 4.419 89 HG22 ILE 11 HG22 ILE 11 -1.632 2.301 4.015 90 HG23 ILE 11 HG23 ILE 11 -1.366 1.118 2.735 91 HD11 ILE 11 HD11 ILE 11 -2.280 3.538 2.440 92 HD12 ILE 11 HD12 ILE 11 -3.576 3.597 1.246 93 HD13 ILE 11 HD13 ILE 11 -2.537 2.177 1.348 94 H ILE 12 HN ILE 12 -1.955 -0.994 1.003 95 HA ILE 12 HA ILE 12 -0.506 -2.644 2.970 96 HB ILE 12 HB ILE 12 -0.781 -3.827 0.284 97 HG12 ILE 12 HG12 ILE 12 -3.110 -3.647 2.223 98 HG13 ILE 12 HG11 ILE 12 -3.072 -3.053 0.562 99 HG21 ILE 12 HG21 ILE 12 -1.263 -5.055 3.001 100 HG22 ILE 12 HG22 ILE 12 0.366 -4.766 2.389 101 HG23 ILE 12 HG23 ILE 12 -0.722 -5.851 1.523 102 HD11 ILE 12 HD11 ILE 12 -2.409 -5.594 0.068 103 HD12 ILE 12 HD12 ILE 12 -4.094 -5.089 0.197 104 HD13 ILE 12 HD13 ILE 12 -3.295 -5.854 1.571 105 H PHE 13 HN PHE 13 1.644 -3.190 2.358 106 HA PHE 13 HA PHE 13 2.915 -1.122 0.754 107 HB2 PHE 13 HB2 PHE 13 4.524 -1.356 2.284 108 HB3 PHE 13 HB1 PHE 13 3.582 -2.617 3.068 109 HD1 PHE 13 HD1 PHE 13 6.543 -1.887 1.163 110 HD2 PHE 13 HD2 PHE 13 3.755 -5.005 2.140 111 HE1 PHE 13 HE1 PHE 13 8.195 -3.592 0.444 112 HE2 PHE 13 HE2 PHE 13 5.406 -6.709 1.421 113 HZ PHE 13 HZ PHE 13 7.627 -6.002 0.573 114 H ASN 14 HN ASN 14 4.441 -1.610 -0.904 115 HA ASN 14 HA ASN 14 4.036 -4.246 -2.188 116 HB2 ASN 14 HB2 ASN 14 3.047 -2.075 -3.274 117 HB3 ASN 14 HB1 ASN 14 4.712 -1.782 -3.759 118 HD21 ASN 14 HD21 ASN 14 4.743 -5.014 -3.685 119 HD22 ASN 14 HD22 ASN 14 4.195 -5.379 -5.250 120 H GLU 15 HN GLU 15 6.206 -1.464 -2.646 121 HA GLU 15 HA GLU 15 8.511 -3.303 -2.360 122 HB2 GLU 15 HB2 GLU 15 7.757 -2.038 -4.690 123 HB3 GLU 15 HB1 GLU 15 8.968 -0.940 -4.028 124 HG2 GLU 15 HG2 GLU 15 10.440 -2.994 -3.668 125 HG3 GLU 15 HG1 GLU 15 9.285 -3.879 -4.663 126 H ARG 16 HN ARG 16 9.589 -2.809 -0.570 127 HA ARG 16 HA ARG 16 9.322 -0.651 1.079 128 HB2 ARG 16 HB2 ARG 16 10.995 -2.834 0.999 129 HB3 ARG 16 HB1 ARG 16 12.124 -1.490 0.828 130 HG2 ARG 16 HG2 ARG 16 11.916 -1.791 3.170 131 HG3 ARG 16 HG1 ARG 16 10.874 -0.415 2.809 132 HD2 ARG 16 HD2 ARG 16 9.169 -2.552 2.435 133 HD3 ARG 16 HD1 ARG 16 10.169 -3.104 3.780 134 HE ARG 16 HE ARG 16 9.361 -0.433 4.306 135 HH11 ARG 16 HH11 ARG 16 7.635 -0.084 5.737 136 HH12 ARG 16 HH12 ARG 16 6.511 -1.360 6.067 137 HH21 ARG 16 HH21 ARG 16 8.080 -3.640 3.979 138 HH22 ARG 16 HH22 ARG 16 6.763 -3.372 5.071 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 9.228 0.344 2.495 2 HA2 GLY 1 HA2 GLY 1 11.179 1.628 2.976 3 HA3 GLY 1 HA1 GLY 1 11.836 1.165 1.410 4 H SER 2 HN SER 2 8.698 1.841 0.846 5 HA SER 2 HA SER 2 9.088 4.743 0.539 6 HB2 SER 2 HB2 SER 2 9.702 3.655 -1.603 7 HB3 SER 2 HB1 SER 2 8.104 2.924 -1.672 8 HG SER 2 HG SER 2 7.827 5.519 -1.181 9 H ARG 3 HN ARG 3 6.689 4.914 -1.107 10 HA ARG 3 HA ARG 3 4.753 5.079 0.993 11 HB2 ARG 3 HB2 ARG 3 3.282 5.854 -0.883 12 HB3 ARG 3 HB1 ARG 3 4.763 6.780 -0.702 13 HG2 ARG 3 HG2 ARG 3 5.588 6.077 -2.705 14 HG3 ARG 3 HG1 ARG 3 4.971 4.438 -2.493 15 HD2 ARG 3 HD2 ARG 3 2.808 5.033 -3.249 16 HD3 ARG 3 HD1 ARG 3 3.123 6.755 -3.049 17 HE ARG 3 HE ARG 3 4.957 5.756 -4.926 18 HH11 ARG 3 HH11 ARG 3 4.553 6.052 -7.142 19 HH12 ARG 3 HH12 ARG 3 2.938 6.361 -7.688 20 HH21 ARG 3 HH21 ARG 3 1.556 6.241 -4.510 21 HH22 ARG 3 HH22 ARG 3 1.241 6.467 -6.198 22 H GLY 4 HN GLY 4 2.471 4.245 0.533 23 HA2 GLY 4 HA2 GLY 4 2.670 1.383 -0.149 24 HA3 GLY 4 HA1 GLY 4 1.440 2.108 0.882 25 H PHE 5 HN PHE 5 0.095 0.743 -0.654 26 HA PHE 5 HA PHE 5 -0.611 2.341 -3.046 27 HB2 PHE 5 HB2 PHE 5 -0.458 -0.634 -2.646 28 HB3 PHE 5 HB1 PHE 5 -1.533 0.054 -3.863 29 HD1 PHE 5 HD1 PHE 5 -0.699 0.713 -5.960 30 HD2 PHE 5 HD2 PHE 5 2.018 0.117 -2.686 31 HE1 PHE 5 HE1 PHE 5 1.222 1.007 -7.501 32 HE2 PHE 5 HE2 PHE 5 3.938 0.411 -4.227 33 HZ PHE 5 HZ PHE 5 3.541 0.856 -6.634 34 H ARG 6 HN ARG 6 -2.685 2.965 -3.238 35 HA ARG 6 HA ARG 6 -4.492 2.391 -1.023 36 HB2 ARG 6 HB2 ARG 6 -4.145 4.707 -2.010 37 HB3 ARG 6 HB1 ARG 6 -5.031 4.140 -3.426 38 HG2 ARG 6 HG2 ARG 6 -6.667 3.319 -1.378 39 HG3 ARG 6 HG1 ARG 6 -6.030 4.837 -0.745 40 HD2 ARG 6 HD2 ARG 6 -8.035 5.336 -2.007 41 HD3 ARG 6 HD1 ARG 6 -6.649 5.931 -2.917 42 HE ARG 6 HE ARG 6 -7.271 3.281 -3.728 43 HH11 ARG 6 HH11 ARG 6 -8.339 3.003 -5.714 44 HH12 ARG 6 HH12 ARG 6 -9.181 4.335 -6.432 45 HH21 ARG 6 HH21 ARG 6 -8.399 6.549 -3.880 46 HH22 ARG 6 HH22 ARG 6 -9.215 6.343 -5.394 47 H PHE 7 HN PHE 7 -5.024 0.211 -1.405 48 HA PHE 7 HA PHE 7 -6.649 -0.291 -3.822 49 HB2 PHE 7 HB2 PHE 7 -4.541 -1.793 -2.493 50 HB3 PHE 7 HB1 PHE 7 -6.004 -2.745 -2.704 51 HD1 PHE 7 HD1 PHE 7 -3.025 -1.706 -4.267 52 HD2 PHE 7 HD2 PHE 7 -7.179 -2.440 -5.086 53 HE1 PHE 7 HE1 PHE 7 -2.503 -1.985 -6.676 54 HE2 PHE 7 HE2 PHE 7 -6.655 -2.717 -7.494 55 HZ PHE 7 HZ PHE 7 -4.317 -2.489 -8.289 56 HA DPR 8 HA DPR 8 -10.089 -1.503 -1.329 57 HB2 DPR 8 HB2 DPR 8 -11.475 -0.188 -2.605 58 HB3 DPR 8 HB1 DPR 8 -11.506 0.850 -1.166 59 HG2 DPR 8 HG2 DPR 8 -10.702 1.766 -3.536 60 HG3 DPR 8 HG1 DPR 8 -9.967 2.310 -2.019 61 HD2 DPR 8 HD2 DPR 8 -8.860 0.463 -4.087 62 HD3 DPR 8 HD1 DPR 8 -8.009 1.580 -2.997 63 HA PRO 9 HA PRO 9 -10.017 0.803 2.672 64 HB2 PRO 9 HB2 PRO 9 -11.116 -1.164 4.213 65 HB3 PRO 9 HB1 PRO 9 -12.083 -0.004 3.283 66 HG2 PRO 9 HG2 PRO 9 -11.486 -2.842 2.722 67 HG3 PRO 9 HG1 PRO 9 -12.922 -1.884 2.330 68 HD2 PRO 9 HD2 PRO 9 -10.880 -2.550 0.541 69 HD3 PRO 9 HD1 PRO 9 -12.083 -1.265 0.296 70 H LYS 10 HN LYS 10 -8.079 -1.180 1.288 71 HA LYS 10 HA LYS 10 -6.586 -1.904 3.739 72 HB2 LYS 10 HB2 LYS 10 -6.775 -3.501 1.171 73 HB3 LYS 10 HB1 LYS 10 -5.739 -3.895 2.541 74 HG2 LYS 10 HG2 LYS 10 -8.765 -3.675 2.665 75 HG3 LYS 10 HG1 LYS 10 -7.870 -5.190 2.558 76 HD2 LYS 10 HD2 LYS 10 -6.603 -4.186 4.676 77 HD3 LYS 10 HD1 LYS 10 -8.110 -3.289 4.855 78 HE2 LYS 10 HE2 LYS 10 -8.275 -5.373 6.105 79 HE3 LYS 10 HE1 LYS 10 -9.363 -5.445 4.720 80 HZ1 LYS 10 HZ1 LYS 10 -7.947 -6.860 3.579 81 HZ2 LYS 10 HZ2 LYS 10 -7.849 -7.435 5.174 82 HZ3 LYS 10 HZ3 LYS 10 -6.603 -6.472 4.538 83 H ILE 11 HN ILE 11 -4.449 -1.423 3.754 84 HA ILE 11 HA ILE 11 -3.355 -0.080 1.354 85 HB ILE 11 HB ILE 11 -3.158 0.524 4.279 86 HG12 ILE 11 HG12 ILE 11 -4.598 1.673 2.374 87 HG13 ILE 11 HG11 ILE 11 -3.827 2.648 3.623 88 HG21 ILE 11 HG21 ILE 11 -1.184 2.054 3.589 89 HG22 ILE 11 HG22 ILE 11 -1.005 0.969 2.210 90 HG23 ILE 11 HG23 ILE 11 -0.843 0.345 3.852 91 HD11 ILE 11 HD11 ILE 11 -2.394 2.028 1.042 92 HD12 ILE 11 HD12 ILE 11 -2.087 3.334 2.186 93 HD13 ILE 11 HD13 ILE 11 -3.517 3.381 1.157 94 H ILE 12 HN ILE 12 -1.489 -0.826 0.525 95 HA ILE 12 HA ILE 12 -0.078 -2.962 2.012 96 HB ILE 12 HB ILE 12 0.218 -2.705 -0.940 97 HG12 ILE 12 HG12 ILE 12 -2.292 -3.509 0.510 98 HG13 ILE 12 HG11 ILE 12 -2.121 -2.581 -0.980 99 HG21 ILE 12 HG21 ILE 12 1.336 -4.396 0.692 100 HG22 ILE 12 HG22 ILE 12 0.644 -5.017 -0.805 101 HG23 ILE 12 HG23 ILE 12 -0.241 -5.184 0.712 102 HD11 ILE 12 HD11 ILE 12 -2.860 -4.677 -1.749 103 HD12 ILE 12 HD12 ILE 12 -1.877 -5.557 -0.579 104 HD13 ILE 12 HD13 ILE 12 -1.111 -4.772 -1.961 105 H PHE 13 HN PHE 13 2.246 -3.118 1.576 106 HA PHE 13 HA PHE 13 3.437 -0.444 1.421 107 HB2 PHE 13 HB2 PHE 13 3.989 -2.893 2.882 108 HB3 PHE 13 HB1 PHE 13 5.425 -2.281 2.066 109 HD1 PHE 13 HD1 PHE 13 6.735 -0.832 3.350 110 HD2 PHE 13 HD2 PHE 13 2.469 -0.825 3.865 111 HE1 PHE 13 HE1 PHE 13 6.946 0.935 5.076 112 HE2 PHE 13 HE2 PHE 13 2.682 0.944 5.592 113 HZ PHE 13 HZ PHE 13 4.920 1.823 6.198 114 H ASN 14 HN ASN 14 3.376 -3.539 -0.201 115 HA ASN 14 HA ASN 14 4.542 -4.352 -2.035 116 HB2 ASN 14 HB2 ASN 14 2.883 -3.052 -3.151 117 HB3 ASN 14 HB1 ASN 14 3.734 -1.551 -2.808 118 HD21 ASN 14 HD21 ASN 14 3.539 -1.391 -5.313 119 HD22 ASN 14 HD22 ASN 14 4.781 -2.106 -6.223 120 H GLU 15 HN GLU 15 5.605 -1.220 -2.971 121 HA GLU 15 HA GLU 15 8.335 -1.993 -3.085 122 HB2 GLU 15 HB2 GLU 15 7.208 -0.220 -4.500 123 HB3 GLU 15 HB1 GLU 15 7.281 0.839 -3.092 124 HG2 GLU 15 HG2 GLU 15 9.235 1.305 -4.408 125 HG3 GLU 15 HG1 GLU 15 9.773 0.380 -3.008 126 H ARG 16 HN ARG 16 8.267 -2.765 -0.737 127 HA ARG 16 HA ARG 16 8.137 -1.275 1.524 128 HB2 ARG 16 HB2 ARG 16 8.868 -3.730 1.225 129 HB3 ARG 16 HB1 ARG 16 10.502 -3.083 1.079 130 HG2 ARG 16 HG2 ARG 16 10.430 -3.388 3.366 131 HG3 ARG 16 HG1 ARG 16 9.774 -1.753 3.275 132 HD2 ARG 16 HD2 ARG 16 8.157 -2.770 4.587 133 HD3 ARG 16 HD1 ARG 16 7.476 -3.028 2.979 134 HE ARG 16 HE ARG 16 9.155 -5.230 3.583 135 HH11 ARG 16 HH11 ARG 16 8.210 -7.160 4.310 136 HH12 ARG 16 HH12 ARG 16 6.622 -7.140 5.001 137 HH21 ARG 16 HH21 ARG 16 6.213 -3.718 4.624 138 HH22 ARG 16 HH22 ARG 16 5.491 -5.191 5.179 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 10.632 1.148 1.560 2 HA2 GLY 1 HA2 GLY 1 12.225 2.788 0.919 3 HA3 GLY 1 HA1 GLY 1 12.166 2.168 -0.728 4 H SER 2 HN SER 2 9.066 2.269 0.297 5 HA SER 2 HA SER 2 8.632 5.084 -0.464 6 HB2 SER 2 HB2 SER 2 8.303 3.696 -2.476 7 HB3 SER 2 HB1 SER 2 7.124 2.720 -1.605 8 HG SER 2 HG SER 2 6.443 5.240 -1.266 9 H ARG 3 HN ARG 3 5.704 4.238 -0.630 10 HA ARG 3 HA ARG 3 5.164 3.909 2.254 11 HB2 ARG 3 HB2 ARG 3 4.991 6.294 1.741 12 HB3 ARG 3 HB1 ARG 3 3.889 5.944 0.409 13 HG2 ARG 3 HG2 ARG 3 2.170 5.219 1.863 14 HG3 ARG 3 HG1 ARG 3 3.281 5.034 3.221 15 HD2 ARG 3 HD2 ARG 3 3.185 7.753 2.081 16 HD3 ARG 3 HD1 ARG 3 1.679 7.220 2.824 17 HE ARG 3 HE ARG 3 4.091 7.910 4.198 18 HH11 ARG 3 HH11 ARG 3 4.108 7.605 6.450 19 HH12 ARG 3 HH12 ARG 3 2.924 6.578 7.188 20 HH21 ARG 3 HH21 ARG 3 1.364 5.782 4.195 21 HH22 ARG 3 HH22 ARG 3 1.371 5.545 5.911 22 H GLY 4 HN GLY 4 2.900 3.268 2.689 23 HA2 GLY 4 HA2 GLY 4 2.102 0.976 1.434 24 HA3 GLY 4 HA1 GLY 4 0.980 2.045 2.271 25 H PHE 5 HN PHE 5 -0.002 0.647 0.188 26 HA PHE 5 HA PHE 5 -0.236 2.666 -1.965 27 HB2 PHE 5 HB2 PHE 5 -0.236 -0.351 -2.182 28 HB3 PHE 5 HB1 PHE 5 -0.689 0.734 -3.496 29 HD1 PHE 5 HD1 PHE 5 2.076 -0.451 -1.367 30 HD2 PHE 5 HD2 PHE 5 0.965 2.131 -4.616 31 HE1 PHE 5 HE1 PHE 5 4.469 -0.139 -1.938 32 HE2 PHE 5 HE2 PHE 5 3.358 2.442 -5.187 33 HZ PHE 5 HZ PHE 5 5.111 1.308 -3.847 34 H ARG 6 HN ARG 6 -2.251 3.248 -2.564 35 HA ARG 6 HA ARG 6 -4.451 2.533 -0.869 36 HB2 ARG 6 HB2 ARG 6 -4.084 4.788 -1.986 37 HB3 ARG 6 HB1 ARG 6 -4.607 4.027 -3.489 38 HG2 ARG 6 HG2 ARG 6 -6.558 3.223 -1.712 39 HG3 ARG 6 HG1 ARG 6 -6.198 4.861 -1.165 40 HD2 ARG 6 HD2 ARG 6 -7.916 5.049 -2.832 41 HD3 ARG 6 HD1 ARG 6 -6.420 5.607 -3.574 42 HE ARG 6 HE ARG 6 -6.446 3.000 -4.267 43 HH11 ARG 6 HH11 ARG 6 -7.530 2.138 -6.066 44 HH12 ARG 6 HH12 ARG 6 -8.931 2.943 -6.693 45 HH21 ARG 6 HH21 ARG 6 -8.844 5.494 -4.348 46 HH22 ARG 6 HH22 ARG 6 -9.673 4.842 -5.721 47 H PHE 7 HN PHE 7 -4.801 0.319 -1.109 48 HA PHE 7 HA PHE 7 -5.766 -0.554 -3.763 49 HB2 PHE 7 HB2 PHE 7 -3.906 -1.712 -1.894 50 HB3 PHE 7 HB1 PHE 7 -5.266 -2.799 -2.146 51 HD1 PHE 7 HD1 PHE 7 -2.255 -1.406 -3.565 52 HD2 PHE 7 HD2 PHE 7 -5.946 -3.380 -4.532 53 HE1 PHE 7 HE1 PHE 7 -1.337 -2.041 -5.781 54 HE2 PHE 7 HE2 PHE 7 -5.028 -4.014 -6.746 55 HZ PHE 7 HZ PHE 7 -2.723 -3.344 -7.371 56 HA DPR 8 HA DPR 8 -9.639 -1.759 -2.022 57 HB2 DPR 8 HB2 DPR 8 -10.723 -0.718 -3.763 58 HB3 DPR 8 HB1 DPR 8 -11.182 0.459 -2.517 59 HG2 DPR 8 HG2 DPR 8 -9.862 1.201 -4.703 60 HG3 DPR 8 HG1 DPR 8 -9.550 1.945 -3.125 61 HD2 DPR 8 HD2 DPR 8 -7.880 -0.016 -4.641 62 HD3 DPR 8 HD1 DPR 8 -7.377 1.277 -3.530 63 HA PRO 9 HA PRO 9 -10.637 0.948 1.573 64 HB2 PRO 9 HB2 PRO 9 -11.984 -0.903 3.040 65 HB3 PRO 9 HB1 PRO 9 -12.746 0.024 1.734 66 HG2 PRO 9 HG2 PRO 9 -11.831 -2.788 1.768 67 HG3 PRO 9 HG1 PRO 9 -13.182 -2.044 0.901 68 HD2 PRO 9 HD2 PRO 9 -10.688 -2.696 -0.207 69 HD3 PRO 9 HD1 PRO 9 -11.893 -1.611 -0.938 70 H LYS 10 HN LYS 10 -8.260 -0.861 0.954 71 HA LYS 10 HA LYS 10 -7.322 -1.092 3.737 72 HB2 LYS 10 HB2 LYS 10 -6.643 -3.278 1.788 73 HB3 LYS 10 HB1 LYS 10 -6.584 -3.306 3.547 74 HG2 LYS 10 HG2 LYS 10 -9.184 -3.042 3.416 75 HG3 LYS 10 HG1 LYS 10 -8.989 -3.557 1.740 76 HD2 LYS 10 HD2 LYS 10 -9.187 -5.635 2.667 77 HD3 LYS 10 HD1 LYS 10 -7.461 -5.419 2.959 78 HE2 LYS 10 HE2 LYS 10 -8.265 -6.038 5.076 79 HE3 LYS 10 HE1 LYS 10 -8.224 -4.278 5.177 80 HZ1 LYS 10 HZ1 LYS 10 -10.654 -4.723 4.130 81 HZ2 LYS 10 HZ2 LYS 10 -10.349 -4.504 5.787 82 HZ3 LYS 10 HZ3 LYS 10 -10.487 -6.071 5.146 83 H ILE 11 HN ILE 11 -5.113 -0.848 3.993 84 HA ILE 11 HA ILE 11 -3.673 0.147 1.609 85 HB ILE 11 HB ILE 11 -3.688 0.991 4.485 86 HG12 ILE 11 HG12 ILE 11 -4.904 2.052 2.377 87 HG13 ILE 11 HG11 ILE 11 -4.184 3.083 3.611 88 HG21 ILE 11 HG21 ILE 11 -1.367 1.124 2.564 89 HG22 ILE 11 HG22 ILE 11 -1.366 0.644 4.262 90 HG23 ILE 11 HG23 ILE 11 -1.572 2.339 3.825 91 HD11 ILE 11 HD11 ILE 11 -3.627 3.606 1.138 92 HD12 ILE 11 HD12 ILE 11 -2.591 2.182 1.210 93 HD13 ILE 11 HD13 ILE 11 -2.286 3.550 2.280 94 H ILE 12 HN ILE 12 -1.943 -0.994 0.970 95 HA ILE 12 HA ILE 12 -0.525 -2.649 2.954 96 HB ILE 12 HB ILE 12 -0.795 -3.849 0.275 97 HG12 ILE 12 HG12 ILE 12 -3.132 -3.648 2.203 98 HG13 ILE 12 HG11 ILE 12 -3.085 -3.051 0.544 99 HG21 ILE 12 HG21 ILE 12 -1.311 -5.067 2.987 100 HG22 ILE 12 HG22 ILE 12 0.328 -4.770 2.408 101 HG23 ILE 12 HG23 ILE 12 -0.738 -5.860 1.521 102 HD11 ILE 12 HD11 ILE 12 -3.392 -5.833 1.547 103 HD12 ILE 12 HD12 ILE 12 -2.405 -5.624 0.100 104 HD13 ILE 12 HD13 ILE 12 -4.080 -5.071 0.113 105 H PHE 13 HN PHE 13 1.624 -3.196 2.379 106 HA PHE 13 HA PHE 13 2.927 -1.148 0.781 107 HB2 PHE 13 HB2 PHE 13 4.520 -1.418 2.324 108 HB3 PHE 13 HB1 PHE 13 3.564 -2.684 3.081 109 HD1 PHE 13 HD1 PHE 13 6.545 -1.946 1.219 110 HD2 PHE 13 HD2 PHE 13 3.722 -5.059 2.106 111 HE1 PHE 13 HE1 PHE 13 8.190 -3.649 0.482 112 HE2 PHE 13 HE2 PHE 13 5.366 -6.762 1.369 113 HZ PHE 13 HZ PHE 13 7.601 -6.056 0.558 114 H ASN 14 HN ASN 14 4.504 -1.671 -0.847 115 HA ASN 14 HA ASN 14 4.088 -4.301 -2.137 116 HB2 ASN 14 HB2 ASN 14 3.018 -2.141 -3.203 117 HB3 ASN 14 HB1 ASN 14 4.658 -1.856 -3.770 118 HD21 ASN 14 HD21 ASN 14 4.779 -5.058 -3.671 119 HD22 ASN 14 HD22 ASN 14 4.126 -5.468 -5.183 120 H GLU 15 HN GLU 15 6.163 -1.456 -2.666 121 HA GLU 15 HA GLU 15 8.523 -3.238 -2.488 122 HB2 GLU 15 HB2 GLU 15 7.654 -1.785 -4.710 123 HB3 GLU 15 HB1 GLU 15 8.972 -0.825 -4.035 124 HG2 GLU 15 HG2 GLU 15 9.101 -3.780 -4.702 125 HG3 GLU 15 HG1 GLU 15 9.836 -2.482 -5.642 126 H ARG 16 HN ARG 16 9.420 -2.817 -0.560 127 HA ARG 16 HA ARG 16 9.195 -0.671 1.088 128 HB2 ARG 16 HB2 ARG 16 10.765 -2.903 1.081 129 HB3 ARG 16 HB1 ARG 16 11.974 -1.638 0.872 130 HG2 ARG 16 HG2 ARG 16 11.774 -1.811 3.213 131 HG3 ARG 16 HG1 ARG 16 10.745 -0.435 2.819 132 HD2 ARG 16 HD2 ARG 16 8.975 -2.499 2.538 133 HD3 ARG 16 HD1 ARG 16 10.011 -3.123 3.823 134 HE ARG 16 HE ARG 16 9.341 -0.441 4.456 135 HH11 ARG 16 HH11 ARG 16 7.676 -0.049 5.949 136 HH12 ARG 16 HH12 ARG 16 6.503 -1.280 6.281 137 HH21 ARG 16 HH21 ARG 16 7.896 -3.574 4.087 138 HH22 ARG 16 HH22 ARG 16 6.628 -3.275 5.227 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 9.081 0.152 2.852 2 HA2 GLY 1 HA2 GLY 1 10.853 1.683 3.244 3 HA3 GLY 1 HA1 GLY 1 11.775 0.909 1.960 4 H SER 2 HN SER 2 8.736 1.163 0.811 5 HA SER 2 HA SER 2 9.356 3.673 -0.611 6 HB2 SER 2 HB2 SER 2 9.071 1.701 -2.041 7 HB3 SER 2 HB1 SER 2 7.478 1.415 -1.349 8 HG SER 2 HG SER 2 6.848 2.689 -2.901 9 H ARG 3 HN ARG 3 6.400 3.421 -1.482 10 HA ARG 3 HA ARG 3 5.209 4.674 0.922 11 HB2 ARG 3 HB2 ARG 3 5.769 6.368 -0.790 12 HB3 ARG 3 HB1 ARG 3 4.781 5.493 -1.961 13 HG2 ARG 3 HG2 ARG 3 2.778 5.926 -0.753 14 HG3 ARG 3 HG1 ARG 3 3.665 6.440 0.683 15 HD2 ARG 3 HD2 ARG 3 3.967 8.543 -0.111 16 HD3 ARG 3 HD1 ARG 3 4.330 7.974 -1.738 17 HE ARG 3 HE ARG 3 1.785 8.887 -0.788 18 HH11 ARG 3 HH11 ARG 3 0.051 8.762 -2.249 19 HH12 ARG 3 HH12 ARG 3 0.175 7.747 -3.647 20 HH21 ARG 3 HH21 ARG 3 3.379 6.654 -2.897 21 HH22 ARG 3 HH22 ARG 3 2.059 6.554 -4.014 22 H GLY 4 HN GLY 4 2.978 4.352 1.229 23 HA2 GLY 4 HA2 GLY 4 1.989 1.859 0.101 24 HA3 GLY 4 HA1 GLY 4 1.260 2.772 1.412 25 H PHE 5 HN PHE 5 -0.252 1.696 -0.687 26 HA PHE 5 HA PHE 5 -1.285 4.176 -1.898 27 HB2 PHE 5 HB2 PHE 5 -1.298 1.668 -3.528 28 HB3 PHE 5 HB1 PHE 5 -1.317 3.351 -4.058 29 HD1 PHE 5 HD1 PHE 5 0.768 4.732 -3.909 30 HD2 PHE 5 HD2 PHE 5 0.760 0.507 -3.134 31 HE1 PHE 5 HE1 PHE 5 3.233 4.681 -4.170 32 HE2 PHE 5 HE2 PHE 5 3.226 0.456 -3.395 33 HZ PHE 5 HZ PHE 5 4.462 2.543 -3.912 34 H ARG 6 HN ARG 6 -3.520 4.080 -2.483 35 HA ARG 6 HA ARG 6 -5.121 2.669 -0.606 36 HB2 ARG 6 HB2 ARG 6 -5.717 4.876 -1.618 37 HB3 ARG 6 HB1 ARG 6 -6.020 4.046 -3.145 38 HG2 ARG 6 HG2 ARG 6 -7.403 2.596 -1.130 39 HG3 ARG 6 HG1 ARG 6 -7.765 4.304 -0.876 40 HD2 ARG 6 HD2 ARG 6 -8.009 2.862 -3.531 41 HD3 ARG 6 HD1 ARG 6 -9.356 3.220 -2.456 42 HE ARG 6 HE ARG 6 -8.262 5.665 -2.832 43 HH11 ARG 6 HH11 ARG 6 -8.752 7.043 -4.570 44 HH12 ARG 6 HH12 ARG 6 -9.290 6.374 -6.074 45 HH21 ARG 6 HH21 ARG 6 -9.129 3.089 -4.975 46 HH22 ARG 6 HH22 ARG 6 -9.504 4.135 -6.303 47 H PHE 7 HN PHE 7 -4.939 0.468 -0.783 48 HA PHE 7 HA PHE 7 -5.770 -0.748 -3.347 49 HB2 PHE 7 HB2 PHE 7 -3.564 -1.284 -1.577 50 HB3 PHE 7 HB1 PHE 7 -4.599 -2.702 -1.687 51 HD1 PHE 7 HD1 PHE 7 -2.478 -0.356 -3.575 52 HD2 PHE 7 HD2 PHE 7 -4.933 -3.873 -3.797 53 HE1 PHE 7 HE1 PHE 7 -1.569 -0.848 -5.830 54 HE2 PHE 7 HE2 PHE 7 -4.025 -4.366 -6.051 55 HZ PHE 7 HZ PHE 7 -2.343 -2.853 -7.068 56 HA DPR 8 HA DPR 8 -9.064 -2.882 -1.309 57 HB2 DPR 8 HB2 DPR 8 -10.481 -2.301 -3.025 58 HB3 DPR 8 HB1 DPR 8 -11.188 -1.214 -1.815 59 HG2 DPR 8 HG2 DPR 8 -10.232 -0.293 -4.122 60 HG3 DPR 8 HG1 DPR 8 -10.075 0.619 -2.611 61 HD2 DPR 8 HD2 DPR 8 -7.985 -0.889 -4.120 62 HD3 DPR 8 HD1 DPR 8 -7.821 0.560 -3.102 63 HA PRO 9 HA PRO 9 -10.618 -0.308 2.189 64 HB2 PRO 9 HB2 PRO 9 -11.278 -2.362 3.856 65 HB3 PRO 9 HB1 PRO 9 -12.358 -1.767 2.583 66 HG2 PRO 9 HG2 PRO 9 -10.699 -4.211 2.660 67 HG3 PRO 9 HG1 PRO 9 -12.255 -3.918 1.867 68 HD2 PRO 9 HD2 PRO 9 -9.756 -3.943 0.599 69 HD3 PRO 9 HD1 PRO 9 -11.254 -3.266 -0.081 70 H LYS 10 HN LYS 10 -7.867 -1.443 1.488 71 HA LYS 10 HA LYS 10 -6.724 -1.136 4.182 72 HB2 LYS 10 HB2 LYS 10 -5.574 -3.258 2.395 73 HB3 LYS 10 HB1 LYS 10 -5.454 -3.091 4.144 74 HG2 LYS 10 HG2 LYS 10 -8.010 -3.564 4.175 75 HG3 LYS 10 HG1 LYS 10 -7.785 -4.122 2.515 76 HD2 LYS 10 HD2 LYS 10 -6.091 -5.730 3.267 77 HD3 LYS 10 HD1 LYS 10 -6.270 -5.160 4.926 78 HE2 LYS 10 HE2 LYS 10 -8.807 -5.918 3.631 79 HE3 LYS 10 HE1 LYS 10 -7.676 -7.255 3.847 80 HZ1 LYS 10 HZ1 LYS 10 -8.152 -7.294 5.993 81 HZ2 LYS 10 HZ2 LYS 10 -9.295 -6.057 5.769 82 HZ3 LYS 10 HZ3 LYS 10 -7.689 -5.673 6.169 83 H ILE 11 HN ILE 11 -4.345 -0.800 4.071 84 HA ILE 11 HA ILE 11 -3.578 0.583 1.567 85 HB ILE 11 HB ILE 11 -3.300 1.371 4.442 86 HG12 ILE 11 HG12 ILE 11 -4.958 2.241 2.564 87 HG13 ILE 11 HG11 ILE 11 -4.243 3.366 3.717 88 HG21 ILE 11 HG21 ILE 11 -1.553 3.071 3.563 89 HG22 ILE 11 HG22 ILE 11 -1.320 1.936 2.234 90 HG23 ILE 11 HG23 ILE 11 -1.004 1.429 3.894 91 HD11 ILE 11 HD11 ILE 11 -2.666 4.158 2.149 92 HD12 ILE 11 HD12 ILE 11 -4.142 3.987 1.203 93 HD13 ILE 11 HD13 ILE 11 -2.880 2.762 1.093 94 H ILE 12 HN ILE 12 -1.904 -0.341 0.571 95 HA ILE 12 HA ILE 12 0.225 -1.564 2.191 96 HB ILE 12 HB ILE 12 -0.611 -3.013 -0.268 97 HG12 ILE 12 HG12 ILE 12 -2.059 -3.147 2.397 98 HG13 ILE 12 HG11 ILE 12 -2.759 -2.714 0.837 99 HG21 ILE 12 HG21 ILE 12 0.239 -4.045 2.445 100 HG22 ILE 12 HG22 ILE 12 1.402 -3.530 1.222 101 HG23 ILE 12 HG23 ILE 12 0.316 -4.881 0.893 102 HD11 ILE 12 HD11 ILE 12 -1.725 -5.411 1.727 103 HD12 ILE 12 HD12 ILE 12 -2.007 -5.027 0.029 104 HD13 ILE 12 HD13 ILE 12 -3.347 -4.997 1.174 105 H PHE 13 HN PHE 13 2.204 -1.921 0.984 106 HA PHE 13 HA PHE 13 2.529 0.019 -1.202 107 HB2 PHE 13 HB2 PHE 13 5.041 -0.634 -0.269 108 HB3 PHE 13 HB1 PHE 13 4.114 0.790 0.191 109 HD1 PHE 13 HD1 PHE 13 4.821 -2.745 1.112 110 HD2 PHE 13 HD2 PHE 13 3.220 1.034 2.378 111 HE1 PHE 13 HE1 PHE 13 4.664 -3.592 3.437 112 HE2 PHE 13 HE2 PHE 13 3.063 0.188 4.705 113 HZ PHE 13 HZ PHE 13 3.785 -2.125 5.234 114 H ASN 14 HN ASN 14 4.572 -0.599 -2.553 115 HA ASN 14 HA ASN 14 4.092 -3.318 -3.553 116 HB2 ASN 14 HB2 ASN 14 4.625 -0.806 -4.784 117 HB3 ASN 14 HB1 ASN 14 5.962 -1.887 -5.160 118 HD21 ASN 14 HD21 ASN 14 2.601 -1.230 -5.786 119 HD22 ASN 14 HD22 ASN 14 2.340 -2.528 -6.848 120 H GLU 15 HN GLU 15 6.676 -1.225 -2.357 121 HA GLU 15 HA GLU 15 8.291 -3.625 -1.828 122 HB2 GLU 15 HB2 GLU 15 8.931 -2.328 -4.014 123 HB3 GLU 15 HB1 GLU 15 9.648 -1.172 -2.890 124 HG2 GLU 15 HG2 GLU 15 10.953 -2.998 -1.852 125 HG3 GLU 15 HG1 GLU 15 10.257 -4.140 -3.001 126 H ARG 16 HN ARG 16 8.702 -3.628 0.279 127 HA ARG 16 HA ARG 16 8.200 -1.715 2.144 128 HB2 ARG 16 HB2 ARG 16 9.052 -4.105 2.497 129 HB3 ARG 16 HB1 ARG 16 10.674 -3.429 2.334 130 HG2 ARG 16 HG2 ARG 16 10.405 -3.221 4.620 131 HG3 ARG 16 HG1 ARG 16 9.731 -1.675 4.105 132 HD2 ARG 16 HD2 ARG 16 8.017 -2.417 5.470 133 HD3 ARG 16 HD1 ARG 16 7.492 -3.080 3.920 134 HE ARG 16 HE ARG 16 9.159 -4.998 5.180 135 HH11 ARG 16 HH11 ARG 16 8.194 -6.741 6.265 136 HH12 ARG 16 HH12 ARG 16 6.546 -6.630 6.788 137 HH21 ARG 16 HH21 ARG 16 6.095 -3.418 5.561 138 HH22 ARG 16 HH22 ARG 16 5.358 -4.748 6.390 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 9.829 0.159 2.158 2 HA2 GLY 1 HA2 GLY 1 10.570 2.390 2.384 3 HA3 GLY 1 HA1 GLY 1 11.329 2.278 0.801 4 H SER 2 HN SER 2 8.384 0.919 0.451 5 HA SER 2 HA SER 2 7.334 2.987 -1.150 6 HB2 SER 2 HB2 SER 2 5.231 1.288 -0.262 7 HB3 SER 2 HB1 SER 2 6.060 1.279 -1.815 8 HG SER 2 HG SER 2 6.863 -0.037 0.572 9 H ARG 3 HN ARG 3 5.504 4.322 -0.823 10 HA ARG 3 HA ARG 3 5.205 5.198 1.954 11 HB2 ARG 3 HB2 ARG 3 5.628 6.716 -0.139 12 HB3 ARG 3 HB1 ARG 3 3.891 6.535 -0.387 13 HG2 ARG 3 HG2 ARG 3 3.839 8.365 1.000 14 HG3 ARG 3 HG1 ARG 3 3.866 7.106 2.236 15 HD2 ARG 3 HD2 ARG 3 6.476 7.304 1.968 16 HD3 ARG 3 HD1 ARG 3 6.093 8.887 1.297 17 HE ARG 3 HE ARG 3 5.414 9.584 3.425 18 HH11 ARG 3 HH11 ARG 3 5.321 9.304 5.678 19 HH12 ARG 3 HH12 ARG 3 5.533 7.725 6.357 20 HH21 ARG 3 HH21 ARG 3 5.972 6.172 3.289 21 HH22 ARG 3 HH22 ARG 3 5.901 5.952 5.006 22 H GLY 4 HN GLY 4 3.810 2.896 0.192 23 HA2 GLY 4 HA2 GLY 4 1.889 1.709 0.989 24 HA3 GLY 4 HA1 GLY 4 1.211 3.239 1.537 25 H PHE 5 HN PHE 5 -0.252 1.427 -0.012 26 HA PHE 5 HA PHE 5 -0.677 3.040 -2.437 27 HB2 PHE 5 HB2 PHE 5 -0.248 0.069 -2.285 28 HB3 PHE 5 HB1 PHE 5 -1.233 0.769 -3.570 29 HD1 PHE 5 HD1 PHE 5 2.133 0.875 -1.982 30 HD2 PHE 5 HD2 PHE 5 -0.240 1.897 -5.413 31 HE1 PHE 5 HE1 PHE 5 4.189 1.511 -3.213 32 HE2 PHE 5 HE2 PHE 5 1.816 2.533 -6.646 33 HZ PHE 5 HZ PHE 5 4.031 2.340 -5.545 34 H ARG 6 HN ARG 6 -2.762 3.537 -2.765 35 HA ARG 6 HA ARG 6 -4.738 2.666 -0.860 36 HB2 ARG 6 HB2 ARG 6 -4.413 4.834 -2.693 37 HB3 ARG 6 HB1 ARG 6 -5.946 4.039 -3.043 38 HG2 ARG 6 HG2 ARG 6 -6.562 4.183 -0.650 39 HG3 ARG 6 HG1 ARG 6 -5.039 5.012 -0.318 40 HD2 ARG 6 HD2 ARG 6 -5.879 6.616 -2.257 41 HD3 ARG 6 HD1 ARG 6 -7.459 6.000 -1.779 42 HE ARG 6 HE ARG 6 -6.396 6.719 0.597 43 HH11 ARG 6 HH11 ARG 6 -6.479 8.813 1.474 44 HH12 ARG 6 HH12 ARG 6 -6.591 10.183 0.422 45 HH21 ARG 6 HH21 ARG 6 -6.594 8.288 -2.481 46 HH22 ARG 6 HH22 ARG 6 -6.656 9.886 -1.818 47 H PHE 7 HN PHE 7 -5.140 0.499 -1.129 48 HA PHE 7 HA PHE 7 -6.323 -0.307 -3.715 49 HB2 PHE 7 HB2 PHE 7 -4.130 -1.433 -2.231 50 HB3 PHE 7 HB1 PHE 7 -5.439 -2.603 -2.344 51 HD1 PHE 7 HD1 PHE 7 -6.507 -2.982 -4.671 52 HD2 PHE 7 HD2 PHE 7 -2.726 -1.032 -4.072 53 HE1 PHE 7 HE1 PHE 7 -5.907 -3.418 -7.038 54 HE2 PHE 7 HE2 PHE 7 -2.127 -1.467 -6.439 55 HZ PHE 7 HZ PHE 7 -3.718 -2.660 -7.923 56 HA DPR 8 HA DPR 8 -9.829 -1.902 -1.554 57 HB2 DPR 8 HB2 DPR 8 -11.221 -0.808 -3.018 58 HB3 DPR 8 HB1 DPR 8 -11.544 0.248 -1.629 59 HG2 DPR 8 HG2 DPR 8 -10.607 1.215 -3.927 60 HG3 DPR 8 HG1 DPR 8 -10.109 1.876 -2.361 61 HD2 DPR 8 HD2 DPR 8 -8.574 0.135 -4.240 62 HD3 DPR 8 HD1 DPR 8 -7.985 1.381 -3.117 63 HA PRO 9 HA PRO 9 -10.498 0.489 2.343 64 HB2 PRO 9 HB2 PRO 9 -11.489 -1.574 3.834 65 HB3 PRO 9 HB1 PRO 9 -12.493 -0.573 2.769 66 HG2 PRO 9 HG2 PRO 9 -11.474 -3.318 2.372 67 HG3 PRO 9 HG1 PRO 9 -12.974 -2.570 1.803 68 HD2 PRO 9 HD2 PRO 9 -10.689 -2.995 0.253 69 HD3 PRO 9 HD1 PRO 9 -12.011 -1.880 -0.155 70 H LYS 10 HN LYS 10 -8.180 -1.253 1.247 71 HA LYS 10 HA LYS 10 -6.867 -1.662 3.860 72 HB2 LYS 10 HB2 LYS 10 -7.561 -3.821 2.644 73 HB3 LYS 10 HB1 LYS 10 -6.350 -3.397 1.442 74 HG2 LYS 10 HG2 LYS 10 -5.376 -4.931 3.073 75 HG3 LYS 10 HG1 LYS 10 -4.614 -3.353 3.230 76 HD2 LYS 10 HD2 LYS 10 -5.521 -2.975 5.301 77 HD3 LYS 10 HD1 LYS 10 -7.024 -3.813 4.911 78 HE2 LYS 10 HE2 LYS 10 -6.045 -5.954 5.268 79 HE3 LYS 10 HE1 LYS 10 -4.412 -5.289 5.271 80 HZ1 LYS 10 HZ1 LYS 10 -6.487 -5.117 7.351 81 HZ2 LYS 10 HZ2 LYS 10 -5.284 -3.921 7.256 82 HZ3 LYS 10 HZ3 LYS 10 -4.852 -5.545 7.501 83 H ILE 11 HN ILE 11 -4.520 -1.496 3.761 84 HA ILE 11 HA ILE 11 -3.541 0.109 1.479 85 HB ILE 11 HB ILE 11 -3.395 0.667 4.419 86 HG12 ILE 11 HG12 ILE 11 -4.928 1.744 2.543 87 HG13 ILE 11 HG11 ILE 11 -4.227 2.747 3.811 88 HG21 ILE 11 HG21 ILE 11 -1.298 1.301 2.346 89 HG22 ILE 11 HG22 ILE 11 -1.077 0.668 3.977 90 HG23 ILE 11 HG23 ILE 11 -1.542 2.351 3.741 91 HD11 ILE 11 HD11 ILE 11 -2.548 3.591 2.382 92 HD12 ILE 11 HD12 ILE 11 -3.985 3.556 1.361 93 HD13 ILE 11 HD13 ILE 11 -2.766 2.292 1.209 94 H ILE 12 HN ILE 12 -1.685 -0.599 0.616 95 HA ILE 12 HA ILE 12 0.079 -2.310 2.244 96 HB ILE 12 HB ILE 12 -0.212 -3.080 -0.592 97 HG12 ILE 12 HG12 ILE 12 -2.379 -3.565 1.478 98 HG13 ILE 12 HG11 ILE 12 -2.561 -2.731 -0.066 99 HG21 ILE 12 HG21 ILE 12 1.240 -4.165 1.209 100 HG22 ILE 12 HG22 ILE 12 0.201 -5.257 0.295 101 HG23 ILE 12 HG23 ILE 12 -0.259 -4.758 1.923 102 HD11 ILE 12 HD11 ILE 12 -2.107 -5.667 0.441 103 HD12 ILE 12 HD12 ILE 12 -1.708 -4.946 -1.118 104 HD13 ILE 12 HD13 ILE 12 -3.368 -4.898 -0.522 105 H PHE 13 HN PHE 13 2.248 -2.439 1.470 106 HA PHE 13 HA PHE 13 3.060 -0.057 -0.041 107 HB2 PHE 13 HB2 PHE 13 5.323 -1.240 1.034 108 HB3 PHE 13 HB1 PHE 13 4.436 0.115 1.727 109 HD1 PHE 13 HD1 PHE 13 2.856 -0.203 3.560 110 HD2 PHE 13 HD2 PHE 13 5.011 -3.516 1.876 111 HE1 PHE 13 HE1 PHE 13 2.205 -1.610 5.495 112 HE2 PHE 13 HE2 PHE 13 4.360 -4.922 3.811 113 HZ PHE 13 HZ PHE 13 2.958 -3.970 5.621 114 H ASN 14 HN ASN 14 5.051 -0.369 -1.414 115 HA ASN 14 HA ASN 14 4.583 -2.460 -3.308 116 HB2 ASN 14 HB2 ASN 14 5.457 -0.290 -4.017 117 HB3 ASN 14 HB1 ASN 14 6.903 -0.535 -3.043 118 HD21 ASN 14 HD21 ASN 14 5.799 -3.467 -4.408 119 HD22 ASN 14 HD22 ASN 14 6.868 -3.526 -5.724 120 H GLU 15 HN GLU 15 7.908 -1.989 -2.737 121 HA GLU 15 HA GLU 15 8.145 -4.754 -1.763 122 HB2 GLU 15 HB2 GLU 15 9.472 -3.323 -3.812 123 HB3 GLU 15 HB1 GLU 15 10.657 -3.637 -2.544 124 HG2 GLU 15 HG2 GLU 15 9.954 -6.036 -2.541 125 HG3 GLU 15 HG1 GLU 15 8.888 -5.689 -3.901 126 H ARG 16 HN ARG 16 9.957 -1.744 -1.465 127 HA ARG 16 HA ARG 16 9.908 -1.864 1.425 128 HB2 ARG 16 HB2 ARG 16 11.771 -3.445 0.612 129 HB3 ARG 16 HB1 ARG 16 12.620 -1.981 0.118 130 HG2 ARG 16 HG2 ARG 16 12.519 -1.110 2.402 131 HG3 ARG 16 HG1 ARG 16 11.587 -2.517 2.919 132 HD2 ARG 16 HD2 ARG 16 14.410 -2.250 2.831 133 HD3 ARG 16 HD1 ARG 16 13.474 -3.684 3.255 134 HE ARG 16 HE ARG 16 13.583 -3.486 0.421 135 HH11 ARG 16 HH11 ARG 16 15.057 -4.795 -0.699 136 HH12 ARG 16 HH12 ARG 16 16.417 -5.473 0.132 137 HH21 ARG 16 HH21 ARG 16 15.596 -4.052 3.186 138 HH22 ARG 16 HH22 ARG 16 16.723 -5.052 2.332 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 9.840 -0.171 -3.887 2 HA2 GLY 1 HA2 GLY 1 11.379 1.347 -3.067 3 HA3 GLY 1 HA1 GLY 1 11.153 2.305 -4.526 4 H SER 2 HN SER 2 8.148 1.729 -3.392 5 HA SER 2 HA SER 2 8.055 4.331 -2.006 6 HB2 SER 2 HB2 SER 2 6.627 4.067 -4.016 7 HB3 SER 2 HB1 SER 2 5.795 2.732 -3.228 8 HG SER 2 HG SER 2 5.908 4.832 -1.572 9 H ARG 3 HN ARG 3 5.362 3.676 -1.005 10 HA ARG 3 HA ARG 3 6.004 1.716 1.098 11 HB2 ARG 3 HB2 ARG 3 6.384 4.133 1.812 12 HB3 ARG 3 HB1 ARG 3 4.642 4.357 1.652 13 HG2 ARG 3 HG2 ARG 3 4.445 3.573 3.748 14 HG3 ARG 3 HG1 ARG 3 4.926 1.992 3.136 15 HD2 ARG 3 HD2 ARG 3 7.333 2.720 3.431 16 HD3 ARG 3 HD1 ARG 3 6.727 4.147 4.267 17 HE ARG 3 HE ARG 3 5.530 2.173 5.646 18 HH11 ARG 3 HH11 ARG 3 6.463 1.000 7.353 19 HH12 ARG 3 HH12 ARG 3 8.183 0.802 7.422 20 HH21 ARG 3 HH21 ARG 3 8.774 2.601 4.518 21 HH22 ARG 3 HH22 ARG 3 9.491 1.708 5.816 22 H GLY 4 HN GLY 4 3.411 2.661 2.401 23 HA2 GLY 4 HA2 GLY 4 1.665 0.723 1.692 24 HA3 GLY 4 HA1 GLY 4 1.127 2.310 2.228 25 H PHE 5 HN PHE 5 -0.234 0.626 0.361 26 HA PHE 5 HA PHE 5 -0.200 2.399 -2.000 27 HB2 PHE 5 HB2 PHE 5 -0.132 -0.602 -1.910 28 HB3 PHE 5 HB1 PHE 5 -0.901 0.227 -3.264 29 HD1 PHE 5 HD1 PHE 5 2.276 -0.294 -1.449 30 HD2 PHE 5 HD2 PHE 5 0.391 1.503 -4.863 31 HE1 PHE 5 HE1 PHE 5 4.503 0.138 -2.451 32 HE2 PHE 5 HE2 PHE 5 2.616 1.933 -5.868 33 HZ PHE 5 HZ PHE 5 4.672 1.250 -4.662 34 H ARG 6 HN ARG 6 -2.169 3.080 -2.658 35 HA ARG 6 HA ARG 6 -4.437 2.525 -0.981 36 HB2 ARG 6 HB2 ARG 6 -3.666 4.539 -2.853 37 HB3 ARG 6 HB1 ARG 6 -5.226 3.891 -3.355 38 HG2 ARG 6 HG2 ARG 6 -6.123 4.252 -1.095 39 HG3 ARG 6 HG1 ARG 6 -4.559 4.869 -0.564 40 HD2 ARG 6 HD2 ARG 6 -5.790 6.136 -2.967 41 HD3 ARG 6 HD1 ARG 6 -6.509 6.501 -1.401 42 HE ARG 6 HE ARG 6 -3.618 6.780 -1.508 43 HH11 ARG 6 HH11 ARG 6 -2.852 8.896 -1.186 44 HH12 ARG 6 HH12 ARG 6 -3.956 10.229 -1.254 45 HH21 ARG 6 HH21 ARG 6 -6.726 8.249 -1.906 46 HH22 ARG 6 HH22 ARG 6 -6.148 9.864 -1.662 47 H PHE 7 HN PHE 7 -4.944 0.361 -1.205 48 HA PHE 7 HA PHE 7 -5.951 -0.467 -3.859 49 HB2 PHE 7 HB2 PHE 7 -4.073 -1.712 -2.052 50 HB3 PHE 7 HB1 PHE 7 -5.464 -2.757 -2.316 51 HD1 PHE 7 HD1 PHE 7 -2.383 -1.567 -3.671 52 HD2 PHE 7 HD2 PHE 7 -6.250 -3.081 -4.774 53 HE1 PHE 7 HE1 PHE 7 -1.514 -2.153 -5.920 54 HE2 PHE 7 HE2 PHE 7 -5.381 -3.666 -7.022 55 HZ PHE 7 HZ PHE 7 -3.012 -3.202 -7.594 56 HA DPR 8 HA DPR 8 -9.804 -1.573 -2.011 57 HB2 DPR 8 HB2 DPR 8 -10.915 -0.434 -3.669 58 HB3 DPR 8 HB1 DPR 8 -11.271 0.724 -2.372 59 HG2 DPR 8 HG2 DPR 8 -10.008 1.469 -4.593 60 HG3 DPR 8 HG1 DPR 8 -9.609 2.160 -3.011 61 HD2 DPR 8 HD2 DPR 8 -8.075 0.179 -4.638 62 HD3 DPR 8 HD1 DPR 8 -7.479 1.420 -3.512 63 HA PRO 9 HA PRO 9 -10.573 1.061 1.696 64 HB2 PRO 9 HB2 PRO 9 -11.956 -0.779 3.149 65 HB3 PRO 9 HB1 PRO 9 -12.716 0.235 1.909 66 HG2 PRO 9 HG2 PRO 9 -11.949 -2.617 1.804 67 HG3 PRO 9 HG1 PRO 9 -13.286 -1.771 1.012 68 HD2 PRO 9 HD2 PRO 9 -10.871 -2.510 -0.206 69 HD3 PRO 9 HD1 PRO 9 -12.038 -1.335 -0.853 70 H LYS 10 HN LYS 10 -8.314 -0.852 0.938 71 HA LYS 10 HA LYS 10 -7.325 -1.259 3.690 72 HB2 LYS 10 HB2 LYS 10 -6.692 -3.302 1.578 73 HB3 LYS 10 HB1 LYS 10 -6.635 -3.464 3.330 74 HG2 LYS 10 HG2 LYS 10 -9.252 -3.104 3.165 75 HG3 LYS 10 HG1 LYS 10 -9.012 -3.613 1.492 76 HD2 LYS 10 HD2 LYS 10 -7.584 -5.532 2.650 77 HD3 LYS 10 HD1 LYS 10 -8.636 -5.163 4.016 78 HE2 LYS 10 HE2 LYS 10 -9.805 -6.838 2.817 79 HE3 LYS 10 HE1 LYS 10 -10.580 -5.330 2.329 80 HZ1 LYS 10 HZ1 LYS 10 -8.286 -6.195 0.758 81 HZ2 LYS 10 HZ2 LYS 10 -9.729 -5.451 0.258 82 HZ3 LYS 10 HZ3 LYS 10 -9.701 -7.115 0.594 83 H ILE 11 HN ILE 11 -5.123 -0.997 3.942 84 HA ILE 11 HA ILE 11 -3.692 0.091 1.590 85 HB ILE 11 HB ILE 11 -3.744 0.883 4.479 86 HG12 ILE 11 HG12 ILE 11 -4.953 1.965 2.381 87 HG13 ILE 11 HG11 ILE 11 -4.248 2.987 3.634 88 HG21 ILE 11 HG21 ILE 11 -1.641 2.272 3.868 89 HG22 ILE 11 HG22 ILE 11 -1.403 1.083 2.588 90 HG23 ILE 11 HG23 ILE 11 -1.414 0.573 4.276 91 HD11 ILE 11 HD11 ILE 11 -2.354 3.497 2.319 92 HD12 ILE 11 HD12 ILE 11 -3.685 3.541 1.164 93 HD13 ILE 11 HD13 ILE 11 -2.627 2.133 1.235 94 H ILE 12 HN ILE 12 -1.890 -0.935 0.961 95 HA ILE 12 HA ILE 12 -0.478 -2.651 2.895 96 HB ILE 12 HB ILE 12 -0.604 -3.750 0.174 97 HG12 ILE 12 HG12 ILE 12 -3.075 -3.643 1.936 98 HG13 ILE 12 HG11 ILE 12 -2.912 -2.962 0.316 99 HG21 ILE 12 HG21 ILE 12 -1.274 -5.030 2.830 100 HG22 ILE 12 HG22 ILE 12 0.388 -4.769 2.304 101 HG23 ILE 12 HG23 ILE 12 -0.679 -5.814 1.367 102 HD11 ILE 12 HD11 ILE 12 -3.025 -5.857 1.137 103 HD12 ILE 12 HD12 ILE 12 -2.294 -5.385 -0.397 104 HD13 ILE 12 HD13 ILE 12 -3.989 -5.016 -0.077 105 H PHE 13 HN PHE 13 1.717 -3.091 2.349 106 HA PHE 13 HA PHE 13 2.914 -0.989 0.697 107 HB2 PHE 13 HB2 PHE 13 4.946 -2.369 1.975 108 HB3 PHE 13 HB1 PHE 13 4.214 -0.864 2.522 109 HD1 PHE 13 HD1 PHE 13 2.506 -0.847 4.273 110 HD2 PHE 13 HD2 PHE 13 4.316 -4.513 2.959 111 HE1 PHE 13 HE1 PHE 13 1.593 -2.011 6.263 112 HE2 PHE 13 HE2 PHE 13 3.403 -5.677 4.949 113 HZ PHE 13 HZ PHE 13 2.041 -4.426 6.601 114 H ASN 14 HN ASN 14 4.268 -1.431 -1.009 115 HA ASN 14 HA ASN 14 4.318 -4.242 -1.928 116 HB2 ASN 14 HB2 ASN 14 3.168 -2.402 -3.321 117 HB3 ASN 14 HB1 ASN 14 4.798 -1.838 -3.676 118 HD21 ASN 14 HD21 ASN 14 2.390 -4.002 -4.724 119 HD22 ASN 14 HD22 ASN 14 3.367 -4.992 -5.694 120 H GLU 15 HN GLU 15 6.290 -2.866 -3.975 121 HA GLU 15 HA GLU 15 8.683 -2.611 -2.341 122 HB2 GLU 15 HB2 GLU 15 8.242 -5.114 -2.797 123 HB3 GLU 15 HB1 GLU 15 8.679 -4.745 -4.465 124 HG2 GLU 15 HG2 GLU 15 10.705 -3.506 -3.129 125 HG3 GLU 15 HG1 GLU 15 10.385 -4.864 -2.051 126 H ARG 16 HN ARG 16 7.099 -1.015 -4.276 127 HA ARG 16 HA ARG 16 8.861 -0.810 -6.596 128 HB2 ARG 16 HB2 ARG 16 6.258 -0.570 -6.569 129 HB3 ARG 16 HB1 ARG 16 6.588 1.066 -6.004 130 HG2 ARG 16 HG2 ARG 16 7.951 1.520 -7.980 131 HG3 ARG 16 HG1 ARG 16 7.754 -0.145 -8.531 132 HD2 ARG 16 HD2 ARG 16 5.592 0.185 -9.218 133 HD3 ARG 16 HD1 ARG 16 5.258 1.365 -7.949 134 HE ARG 16 HE ARG 16 7.118 2.531 -9.729 135 HH11 ARG 16 HH11 ARG 16 6.377 3.967 -11.321 136 HH12 ARG 16 HH12 ARG 16 4.718 3.930 -11.816 137 HH21 ARG 16 HH21 ARG 16 3.856 1.354 -9.660 138 HH22 ARG 16 HH22 ARG 16 3.291 2.451 -10.876 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 8.968 0.735 2.575 2 HA2 GLY 1 HA2 GLY 1 10.379 2.664 2.759 3 HA3 GLY 1 HA1 GLY 1 11.326 2.059 1.406 4 H SER 2 HN SER 2 8.228 1.494 0.569 5 HA SER 2 HA SER 2 8.138 3.873 -1.130 6 HB2 SER 2 HB2 SER 2 7.620 2.116 -2.501 7 HB3 SER 2 HB1 SER 2 6.928 1.158 -1.196 8 HG SER 2 HG SER 2 5.065 1.879 -1.808 9 H ARG 3 HN ARG 3 5.733 4.584 -1.574 10 HA ARG 3 HA ARG 3 4.690 5.458 1.019 11 HB2 ARG 3 HB2 ARG 3 4.945 6.658 -1.539 12 HB3 ARG 3 HB1 ARG 3 3.220 6.521 -1.202 13 HG2 ARG 3 HG2 ARG 3 4.016 8.629 -0.296 14 HG3 ARG 3 HG1 ARG 3 3.639 7.551 1.049 15 HD2 ARG 3 HD2 ARG 3 5.739 7.826 1.800 16 HD3 ARG 3 HD1 ARG 3 6.325 7.019 0.348 17 HE ARG 3 HE ARG 3 5.742 9.805 -0.090 18 HH11 ARG 3 HH11 ARG 3 7.536 11.152 -0.453 19 HH12 ARG 3 HH12 ARG 3 9.125 10.596 -0.048 20 HH21 ARG 3 HH21 ARG 3 8.039 7.513 1.111 21 HH22 ARG 3 HH22 ARG 3 9.410 8.536 0.837 22 H GLY 4 HN GLY 4 4.311 2.713 -0.275 23 HA2 GLY 4 HA2 GLY 4 2.639 1.144 -0.507 24 HA3 GLY 4 HA1 GLY 4 1.787 2.099 0.700 25 H PHE 5 HN PHE 5 0.061 1.039 -0.848 26 HA PHE 5 HA PHE 5 -0.719 3.148 -2.757 27 HB2 PHE 5 HB2 PHE 5 -0.636 0.174 -3.238 28 HB3 PHE 5 HB1 PHE 5 -1.687 1.238 -4.171 29 HD1 PHE 5 HD1 PHE 5 -0.749 2.972 -5.644 30 HD2 PHE 5 HD2 PHE 5 1.780 0.262 -3.475 31 HE1 PHE 5 HE1 PHE 5 1.171 3.618 -7.076 32 HE2 PHE 5 HE2 PHE 5 3.700 0.907 -4.906 33 HZ PHE 5 HZ PHE 5 3.396 2.585 -6.706 34 H ARG 6 HN ARG 6 -2.816 3.738 -2.653 35 HA ARG 6 HA ARG 6 -4.434 2.602 -0.523 36 HB2 ARG 6 HB2 ARG 6 -4.188 5.109 -1.091 37 HB3 ARG 6 HB1 ARG 6 -5.302 4.775 -2.419 38 HG2 ARG 6 HG2 ARG 6 -6.589 3.531 -0.365 39 HG3 ARG 6 HG1 ARG 6 -5.815 4.863 0.494 40 HD2 ARG 6 HD2 ARG 6 -8.009 5.582 -0.285 41 HD3 ARG 6 HD1 ARG 6 -6.761 6.448 -1.175 42 HE ARG 6 HE ARG 6 -7.646 4.035 -2.495 43 HH11 ARG 6 HH11 ARG 6 -8.783 4.343 -4.438 44 HH12 ARG 6 HH12 ARG 6 -9.402 5.911 -4.832 45 HH21 ARG 6 HH21 ARG 6 -8.214 7.402 -1.937 46 HH22 ARG 6 HH22 ARG 6 -9.082 7.643 -3.417 47 H PHE 7 HN PHE 7 -5.090 0.590 -1.214 48 HA PHE 7 HA PHE 7 -6.774 0.504 -3.640 49 HB2 PHE 7 HB2 PHE 7 -4.668 -1.228 -2.605 50 HB3 PHE 7 HB1 PHE 7 -6.148 -2.104 -2.971 51 HD1 PHE 7 HD1 PHE 7 -7.298 -1.526 -5.262 52 HD2 PHE 7 HD2 PHE 7 -3.182 -0.708 -4.339 53 HE1 PHE 7 HE1 PHE 7 -6.781 -1.389 -7.684 54 HE2 PHE 7 HE2 PHE 7 -2.667 -0.572 -6.761 55 HZ PHE 7 HZ PHE 7 -4.467 -0.912 -8.433 56 HA DPR 8 HA DPR 8 -10.176 -1.013 -1.278 57 HB2 DPR 8 HB2 DPR 8 -11.539 0.556 -2.261 58 HB3 DPR 8 HB1 DPR 8 -11.514 1.303 -0.652 59 HG2 DPR 8 HG2 DPR 8 -10.724 2.637 -2.815 60 HG3 DPR 8 HG1 DPR 8 -9.935 2.850 -1.243 61 HD2 DPR 8 HD2 DPR 8 -8.945 1.403 -3.661 62 HD3 DPR 8 HD1 DPR 8 -8.028 2.263 -2.405 63 HA PRO 9 HA PRO 9 -9.909 0.502 3.072 64 HB2 PRO 9 HB2 PRO 9 -11.004 -1.696 4.262 65 HB3 PRO 9 HB1 PRO 9 -11.973 -0.371 3.593 66 HG2 PRO 9 HG2 PRO 9 -11.456 -3.067 2.504 67 HG3 PRO 9 HG1 PRO 9 -12.880 -2.030 2.339 68 HD2 PRO 9 HD2 PRO 9 -10.895 -2.391 0.399 69 HD3 PRO 9 HD1 PRO 9 -12.084 -1.071 0.422 70 H LYS 10 HN LYS 10 -8.033 -1.172 1.289 71 HA LYS 10 HA LYS 10 -6.464 -2.326 3.519 72 HB2 LYS 10 HB2 LYS 10 -6.638 -3.546 0.745 73 HB3 LYS 10 HB1 LYS 10 -5.785 -4.198 2.138 74 HG2 LYS 10 HG2 LYS 10 -7.790 -4.818 3.232 75 HG3 LYS 10 HG1 LYS 10 -8.773 -3.737 2.242 76 HD2 LYS 10 HD2 LYS 10 -7.242 -5.848 0.809 77 HD3 LYS 10 HD1 LYS 10 -8.626 -6.374 1.767 78 HE2 LYS 10 HE2 LYS 10 -8.884 -4.037 -0.111 79 HE3 LYS 10 HE1 LYS 10 -9.021 -5.687 -0.718 80 HZ1 LYS 10 HZ1 LYS 10 -10.729 -6.072 1.010 81 HZ2 LYS 10 HZ2 LYS 10 -11.184 -4.906 -0.140 82 HZ3 LYS 10 HZ3 LYS 10 -10.665 -4.424 1.405 83 H ILE 11 HN ILE 11 -4.312 -1.911 3.470 84 HA ILE 11 HA ILE 11 -3.321 -0.237 1.237 85 HB ILE 11 HB ILE 11 -2.990 -0.055 4.200 86 HG12 ILE 11 HG12 ILE 11 -4.436 1.394 2.518 87 HG13 ILE 11 HG11 ILE 11 -3.596 2.161 3.864 88 HG21 ILE 11 HG21 ILE 11 -0.982 1.487 3.675 89 HG22 ILE 11 HG22 ILE 11 -0.875 0.613 2.148 90 HG23 ILE 11 HG23 ILE 11 -0.693 -0.251 3.677 91 HD11 ILE 11 HD11 ILE 11 -2.260 1.853 1.176 92 HD12 ILE 11 HD12 ILE 11 -1.867 2.977 2.478 93 HD13 ILE 11 HD13 ILE 11 -3.323 3.219 1.515 94 H ILE 12 HN ILE 12 -1.406 -0.769 0.294 95 HA ILE 12 HA ILE 12 -0.048 -3.199 1.307 96 HB ILE 12 HB ILE 12 0.281 -2.325 -1.522 97 HG12 ILE 12 HG12 ILE 12 -2.245 -3.395 -0.288 98 HG13 ILE 12 HG11 ILE 12 -2.056 -2.181 -1.552 99 HG21 ILE 12 HG21 ILE 12 -0.201 -5.093 -0.429 100 HG22 ILE 12 HG22 ILE 12 1.379 -4.329 -0.279 101 HG23 ILE 12 HG23 ILE 12 0.690 -4.619 -1.876 102 HD11 ILE 12 HD11 ILE 12 -1.834 -5.177 -1.774 103 HD12 ILE 12 HD12 ILE 12 -1.057 -4.128 -2.961 104 HD13 ILE 12 HD13 ILE 12 -2.804 -4.068 -2.740 105 H PHE 13 HN PHE 13 2.265 -3.307 0.912 106 HA PHE 13 HA PHE 13 3.533 -0.646 1.056 107 HB2 PHE 13 HB2 PHE 13 3.824 -3.130 2.579 108 HB3 PHE 13 HB1 PHE 13 5.354 -2.453 2.034 109 HD1 PHE 13 HD1 PHE 13 6.350 -1.225 3.766 110 HD2 PHE 13 HD2 PHE 13 2.115 -0.915 3.117 111 HE1 PHE 13 HE1 PHE 13 6.205 0.501 5.541 112 HE2 PHE 13 HE2 PHE 13 1.970 0.812 4.892 113 HZ PHE 13 HZ PHE 13 4.015 1.519 6.105 114 H ASN 14 HN ASN 14 3.400 -3.665 -0.606 115 HA ASN 14 HA ASN 14 4.598 -4.563 -2.355 116 HB2 ASN 14 HB2 ASN 14 3.644 -2.784 -3.605 117 HB3 ASN 14 HB1 ASN 14 4.723 -1.600 -2.880 118 HD21 ASN 14 HD21 ASN 14 5.226 -1.136 -5.282 119 HD22 ASN 14 HD22 ASN 14 6.417 -2.088 -6.027 120 H GLU 15 HN GLU 15 6.625 -1.782 -2.591 121 HA GLU 15 HA GLU 15 8.933 -3.412 -1.768 122 HB2 GLU 15 HB2 GLU 15 8.869 -2.270 -4.030 123 HB3 GLU 15 HB1 GLU 15 8.976 -0.734 -3.167 124 HG2 GLU 15 HG2 GLU 15 11.221 -1.345 -3.752 125 HG3 GLU 15 HG1 GLU 15 11.050 -1.647 -2.024 126 H ARG 16 HN ARG 16 9.365 -3.216 0.345 127 HA ARG 16 HA ARG 16 8.626 -1.360 2.171 128 HB2 ARG 16 HB2 ARG 16 9.859 -3.237 2.937 129 HB3 ARG 16 HB1 ARG 16 11.248 -2.833 1.928 130 HG2 ARG 16 HG2 ARG 16 11.961 -1.146 3.338 131 HG3 ARG 16 HG1 ARG 16 10.332 -0.801 3.920 132 HD2 ARG 16 HD2 ARG 16 11.594 -3.454 4.550 133 HD3 ARG 16 HD1 ARG 16 12.054 -2.032 5.489 134 HE ARG 16 HE ARG 16 9.218 -2.150 5.366 135 HH11 ARG 16 HH11 ARG 16 8.089 -2.953 7.162 136 HH12 ARG 16 HH12 ARG 16 8.901 -3.949 8.323 137 HH21 ARG 16 HH21 ARG 16 11.951 -3.835 6.676 138 HH22 ARG 16 HH22 ARG 16 11.089 -4.449 8.047 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 6.989 -1.940 3.168 2 HA2 GLY 1 HA2 GLY 1 5.468 -0.488 4.100 3 HA3 GLY 1 HA1 GLY 1 6.770 -0.033 5.189 4 H SER 2 HN SER 2 7.817 0.492 2.102 5 HA SER 2 HA SER 2 7.783 3.329 2.375 6 HB2 SER 2 HB2 SER 2 9.568 2.147 1.160 7 HB3 SER 2 HB1 SER 2 8.402 1.629 -0.054 8 HG SER 2 HG SER 2 8.049 4.180 0.130 9 H ARG 3 HN ARG 3 7.271 3.536 -0.643 10 HA ARG 3 HA ARG 3 4.824 4.764 -0.648 11 HB2 ARG 3 HB2 ARG 3 6.154 4.992 -2.592 12 HB3 ARG 3 HB1 ARG 3 6.251 3.247 -2.829 13 HG2 ARG 3 HG2 ARG 3 4.025 3.098 -3.578 14 HG3 ARG 3 HG1 ARG 3 3.588 4.654 -2.871 15 HD2 ARG 3 HD2 ARG 3 3.843 4.728 -5.366 16 HD3 ARG 3 HD1 ARG 3 4.910 5.842 -4.514 17 HE ARG 3 HE ARG 3 6.740 4.547 -5.188 18 HH11 ARG 3 HH11 ARG 3 7.667 2.948 -6.504 19 HH12 ARG 3 HH12 ARG 3 6.659 1.746 -7.238 20 HH21 ARG 3 HH21 ARG 3 3.724 2.993 -5.876 21 HH22 ARG 3 HH22 ARG 3 4.427 1.771 -6.882 22 H GLY 4 HN GLY 4 2.697 4.169 -1.139 23 HA2 GLY 4 HA2 GLY 4 2.093 1.292 -1.251 24 HA3 GLY 4 HA1 GLY 4 1.356 2.261 0.021 25 H PHE 5 HN PHE 5 -0.440 1.090 -1.437 26 HA PHE 5 HA PHE 5 -1.466 3.198 -3.234 27 HB2 PHE 5 HB2 PHE 5 -1.371 0.221 -3.726 28 HB3 PHE 5 HB1 PHE 5 -2.490 1.283 -4.580 29 HD1 PHE 5 HD1 PHE 5 -1.635 3.096 -6.048 30 HD2 PHE 5 HD2 PHE 5 0.993 0.243 -4.203 31 HE1 PHE 5 HE1 PHE 5 0.173 3.747 -7.616 32 HE2 PHE 5 HE2 PHE 5 2.801 0.893 -5.772 33 HZ PHE 5 HZ PHE 5 2.390 2.645 -7.479 34 H ARG 6 HN ARG 6 -3.589 3.692 -2.969 35 HA ARG 6 HA ARG 6 -4.948 2.551 -0.670 36 HB2 ARG 6 HB2 ARG 6 -4.944 5.011 -1.168 37 HB3 ARG 6 HB1 ARG 6 -5.934 4.674 -2.589 38 HG2 ARG 6 HG2 ARG 6 -7.152 3.307 -0.427 39 HG3 ARG 6 HG1 ARG 6 -6.760 4.922 0.163 40 HD2 ARG 6 HD2 ARG 6 -7.901 5.925 -1.762 41 HD3 ARG 6 HD1 ARG 6 -8.247 4.325 -2.411 42 HE ARG 6 HE ARG 6 -9.271 4.568 0.236 43 HH11 ARG 6 HH11 ARG 6 -11.518 4.810 0.470 44 HH12 ARG 6 HH12 ARG 6 -12.474 5.318 -0.882 45 HH21 ARG 6 HH21 ARG 6 -9.772 5.555 -3.043 46 HH22 ARG 6 HH22 ARG 6 -11.486 5.739 -2.871 47 H PHE 7 HN PHE 7 -5.580 0.488 -1.204 48 HA PHE 7 HA PHE 7 -7.444 0.212 -3.482 49 HB2 PHE 7 HB2 PHE 7 -5.196 -1.381 -2.529 50 HB3 PHE 7 HB1 PHE 7 -6.662 -2.331 -2.730 51 HD1 PHE 7 HD1 PHE 7 -3.887 -0.838 -4.398 52 HD2 PHE 7 HD2 PHE 7 -7.992 -1.981 -4.950 53 HE1 PHE 7 HE1 PHE 7 -3.565 -0.808 -6.856 54 HE2 PHE 7 HE2 PHE 7 -7.668 -1.953 -7.409 55 HZ PHE 7 HZ PHE 7 -5.455 -1.366 -8.362 56 HA DPR 8 HA DPR 8 -10.581 -1.343 -0.789 57 HB2 DPR 8 HB2 DPR 8 -12.101 0.066 -1.784 58 HB3 DPR 8 HB1 DPR 8 -12.020 0.929 -0.237 59 HG2 DPR 8 HG2 DPR 8 -11.459 2.144 -2.537 60 HG3 DPR 8 HG1 DPR 8 -10.583 2.519 -1.043 61 HD2 DPR 8 HD2 DPR 8 -9.666 0.959 -3.419 62 HD3 DPR 8 HD1 DPR 8 -8.724 1.960 -2.292 63 HA PRO 9 HA PRO 9 -10.125 0.519 3.409 64 HB2 PRO 9 HB2 PRO 9 -10.978 -1.649 4.833 65 HB3 PRO 9 HB1 PRO 9 -12.081 -0.443 4.146 66 HG2 PRO 9 HG2 PRO 9 -11.452 -3.175 3.212 67 HG3 PRO 9 HG1 PRO 9 -12.956 -2.251 3.089 68 HD2 PRO 9 HD2 PRO 9 -11.111 -2.623 1.025 69 HD3 PRO 9 HD1 PRO 9 -12.375 -1.373 1.058 70 H LYS 10 HN LYS 10 -8.293 -1.212 1.610 71 HA LYS 10 HA LYS 10 -6.509 -2.123 3.783 72 HB2 LYS 10 HB2 LYS 10 -7.648 -3.982 2.394 73 HB3 LYS 10 HB1 LYS 10 -6.642 -3.429 1.063 74 HG2 LYS 10 HG2 LYS 10 -5.477 -5.250 2.105 75 HG3 LYS 10 HG1 LYS 10 -4.619 -3.783 2.556 76 HD2 LYS 10 HD2 LYS 10 -6.707 -4.305 4.487 77 HD3 LYS 10 HD1 LYS 10 -5.718 -5.747 4.278 78 HE2 LYS 10 HE2 LYS 10 -3.693 -4.513 4.750 79 HE3 LYS 10 HE1 LYS 10 -4.574 -2.985 4.768 80 HZ1 LYS 10 HZ1 LYS 10 -5.353 -5.167 6.584 81 HZ2 LYS 10 HZ2 LYS 10 -5.600 -3.495 6.751 82 HZ3 LYS 10 HZ3 LYS 10 -4.052 -4.156 6.983 83 H ILE 11 HN ILE 11 -4.234 -2.052 3.238 84 HA ILE 11 HA ILE 11 -3.559 -0.215 1.027 85 HB ILE 11 HB ILE 11 -2.954 0.052 3.945 86 HG12 ILE 11 HG12 ILE 11 -4.644 1.386 2.396 87 HG13 ILE 11 HG11 ILE 11 -3.719 2.221 3.642 88 HG21 ILE 11 HG21 ILE 11 -1.096 1.685 3.179 89 HG22 ILE 11 HG22 ILE 11 -1.107 0.776 1.668 90 HG23 ILE 11 HG23 ILE 11 -0.718 -0.035 3.186 91 HD11 ILE 11 HD11 ILE 11 -2.181 3.101 2.077 92 HD12 ILE 11 HD12 ILE 11 -3.739 3.254 1.269 93 HD13 ILE 11 HD13 ILE 11 -2.646 1.939 0.834 94 H ILE 12 HN ILE 12 -1.714 -0.701 -0.065 95 HA ILE 12 HA ILE 12 -0.209 -3.074 0.868 96 HB ILE 12 HB ILE 12 -0.044 -2.165 -1.963 97 HG12 ILE 12 HG12 ILE 12 -2.482 -3.302 -0.619 98 HG13 ILE 12 HG11 ILE 12 -2.379 -2.098 -1.904 99 HG21 ILE 12 HG21 ILE 12 0.412 -4.445 -2.358 100 HG22 ILE 12 HG22 ILE 12 -0.381 -4.954 -0.867 101 HG23 ILE 12 HG23 ILE 12 1.178 -4.137 -0.801 102 HD11 ILE 12 HD11 ILE 12 -3.140 -4.024 -3.029 103 HD12 ILE 12 HD12 ILE 12 -2.083 -5.091 -2.107 104 HD13 ILE 12 HD13 ILE 12 -1.405 -4.030 -3.343 105 H PHE 13 HN PHE 13 2.089 -3.101 0.365 106 HA PHE 13 HA PHE 13 3.264 -0.423 0.620 107 HB2 PHE 13 HB2 PHE 13 5.250 -2.276 1.102 108 HB3 PHE 13 HB1 PHE 13 4.276 -1.475 2.331 109 HD1 PHE 13 HD1 PHE 13 4.555 -4.515 0.222 110 HD2 PHE 13 HD2 PHE 13 2.587 -2.651 3.554 111 HE1 PHE 13 HE1 PHE 13 3.547 -6.693 0.846 112 HE2 PHE 13 HE2 PHE 13 1.578 -4.828 4.178 113 HZ PHE 13 HZ PHE 13 2.058 -6.850 2.823 114 H ASN 14 HN ASN 14 5.727 -0.622 -0.209 115 HA ASN 14 HA ASN 14 5.503 -1.321 -3.063 116 HB2 ASN 14 HB2 ASN 14 6.538 0.944 -1.684 117 HB3 ASN 14 HB1 ASN 14 7.884 0.139 -2.480 118 HD21 ASN 14 HD21 ASN 14 4.461 0.405 -3.514 119 HD22 ASN 14 HD22 ASN 14 4.811 1.158 -4.993 120 H GLU 15 HN GLU 15 8.023 -1.273 -0.528 121 HA GLU 15 HA GLU 15 8.800 -3.986 -1.210 122 HB2 GLU 15 HB2 GLU 15 10.026 -2.305 -2.761 123 HB3 GLU 15 HB1 GLU 15 10.950 -1.890 -1.316 124 HG2 GLU 15 HG2 GLU 15 12.227 -3.599 -2.325 125 HG3 GLU 15 HG1 GLU 15 11.325 -4.437 -1.065 126 H ARG 16 HN ARG 16 8.617 -1.342 0.875 127 HA ARG 16 HA ARG 16 9.267 -2.913 3.166 128 HB2 ARG 16 HB2 ARG 16 11.534 -2.237 2.139 129 HB3 ARG 16 HB1 ARG 16 11.151 -0.612 2.704 130 HG2 ARG 16 HG2 ARG 16 10.897 -1.439 4.999 131 HG3 ARG 16 HG1 ARG 16 11.213 -3.087 4.457 132 HD2 ARG 16 HD2 ARG 16 13.470 -2.605 3.926 133 HD3 ARG 16 HD1 ARG 16 13.188 -0.863 3.947 134 HE ARG 16 HE ARG 16 12.608 -1.868 6.530 135 HH11 ARG 16 HH11 ARG 16 14.161 -1.661 8.167 136 HH12 ARG 16 HH12 ARG 16 15.827 -1.421 7.755 137 HH21 ARG 16 HH21 ARG 16 15.264 -1.474 4.334 138 HH22 ARG 16 HH22 ARG 16 16.452 -1.316 5.585 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 10.037 -0.773 1.890 2 HA2 GLY 1 HA2 GLY 1 9.936 1.397 2.688 3 HA3 GLY 1 HA1 GLY 1 10.978 1.884 1.358 4 H SER 2 HN SER 2 10.068 3.310 0.053 5 HA SER 2 HA SER 2 8.479 4.577 -1.018 6 HB2 SER 2 HB2 SER 2 8.216 2.991 -2.644 7 HB3 SER 2 HB1 SER 2 7.762 1.731 -1.502 8 HG SER 2 HG SER 2 5.765 2.225 -1.883 9 H ARG 3 HN ARG 3 5.962 4.876 -1.221 10 HA ARG 3 HA ARG 3 4.948 4.965 1.541 11 HB2 ARG 3 HB2 ARG 3 5.159 7.051 0.046 12 HB3 ARG 3 HB1 ARG 3 3.766 6.407 -0.825 13 HG2 ARG 3 HG2 ARG 3 2.563 7.540 0.738 14 HG3 ARG 3 HG1 ARG 3 2.924 6.147 1.758 15 HD2 ARG 3 HD2 ARG 3 4.551 8.700 1.603 16 HD3 ARG 3 HD1 ARG 3 3.486 8.235 2.927 17 HE ARG 3 HE ARG 3 6.141 7.196 2.395 18 HH11 ARG 3 HH11 ARG 3 6.939 5.750 3.954 19 HH12 ARG 3 HH12 ARG 3 5.861 5.066 5.126 20 HH21 ARG 3 HH21 ARG 3 3.065 6.716 3.907 21 HH22 ARG 3 HH22 ARG 3 3.669 5.613 5.099 22 H GLY 4 HN GLY 4 2.860 4.268 2.055 23 HA2 GLY 4 HA2 GLY 4 1.958 1.892 0.970 24 HA3 GLY 4 HA1 GLY 4 0.950 2.988 1.906 25 H PHE 5 HN PHE 5 -0.212 1.513 -0.072 26 HA PHE 5 HA PHE 5 -0.869 3.582 -2.071 27 HB2 PHE 5 HB2 PHE 5 -0.512 0.631 -2.645 28 HB3 PHE 5 HB1 PHE 5 -1.050 1.850 -3.801 29 HD1 PHE 5 HD1 PHE 5 1.783 0.237 -2.312 30 HD2 PHE 5 HD2 PHE 5 0.510 3.865 -4.225 31 HE1 PHE 5 HE1 PHE 5 4.146 0.799 -2.816 32 HE2 PHE 5 HE2 PHE 5 2.872 4.427 -4.731 33 HZ PHE 5 HZ PHE 5 4.690 2.894 -4.027 34 H ARG 6 HN ARG 6 -2.970 4.013 -2.134 35 HA ARG 6 HA ARG 6 -4.842 2.686 -0.489 36 HB2 ARG 6 HB2 ARG 6 -6.481 4.119 -1.804 37 HB3 ARG 6 HB1 ARG 6 -5.226 4.980 -0.930 38 HG2 ARG 6 HG2 ARG 6 -4.239 5.725 -2.845 39 HG3 ARG 6 HG1 ARG 6 -4.512 4.203 -3.695 40 HD2 ARG 6 HD2 ARG 6 -6.774 4.777 -4.195 41 HD3 ARG 6 HD1 ARG 6 -6.750 6.133 -3.071 42 HE ARG 6 HE ARG 6 -5.746 7.415 -4.726 43 HH11 ARG 6 HH11 ARG 6 -4.914 7.746 -6.815 44 HH12 ARG 6 HH12 ARG 6 -4.544 6.385 -7.820 45 HH21 ARG 6 HH21 ARG 6 -5.523 4.041 -5.458 46 HH22 ARG 6 HH22 ARG 6 -4.889 4.287 -7.051 47 H PHE 7 HN PHE 7 -4.979 0.514 -1.019 48 HA PHE 7 HA PHE 7 -6.088 -0.116 -3.687 49 HB2 PHE 7 HB2 PHE 7 -3.932 -1.274 -2.151 50 HB3 PHE 7 HB1 PHE 7 -5.171 -2.478 -2.481 51 HD1 PHE 7 HD1 PHE 7 -5.904 -2.906 -4.845 52 HD2 PHE 7 HD2 PHE 7 -2.555 -0.390 -3.892 53 HE1 PHE 7 HE1 PHE 7 -5.110 -3.077 -7.188 54 HE2 PHE 7 HE2 PHE 7 -1.760 -0.561 -6.236 55 HZ PHE 7 HZ PHE 7 -3.037 -1.905 -7.883 56 HA DPR 8 HA DPR 8 -9.620 -1.995 -1.813 57 HB2 DPR 8 HB2 DPR 8 -10.994 -0.823 -3.233 58 HB3 DPR 8 HB1 DPR 8 -11.406 0.096 -1.771 59 HG2 DPR 8 HG2 DPR 8 -10.415 1.285 -3.943 60 HG3 DPR 8 HG1 DPR 8 -10.016 1.831 -2.305 61 HD2 DPR 8 HD2 DPR 8 -8.322 0.330 -4.250 62 HD3 DPR 8 HD1 DPR 8 -7.842 1.481 -2.984 63 HA PRO 9 HA PRO 9 -10.520 0.028 2.244 64 HB2 PRO 9 HB2 PRO 9 -11.474 -2.196 3.515 65 HB3 PRO 9 HB1 PRO 9 -12.484 -1.136 2.516 66 HG2 PRO 9 HG2 PRO 9 -11.359 -3.797 1.902 67 HG3 PRO 9 HG1 PRO 9 -12.866 -3.048 1.356 68 HD2 PRO 9 HD2 PRO 9 -10.530 -3.259 -0.154 69 HD3 PRO 9 HD1 PRO 9 -11.873 -2.147 -0.497 70 H LYS 10 HN LYS 10 -8.125 -1.588 1.070 71 HA LYS 10 HA LYS 10 -6.848 -2.125 3.685 72 HB2 LYS 10 HB2 LYS 10 -6.434 -3.733 1.147 73 HB3 LYS 10 HB1 LYS 10 -5.632 -4.006 2.689 74 HG2 LYS 10 HG2 LYS 10 -8.645 -4.049 2.518 75 HG3 LYS 10 HG1 LYS 10 -7.707 -5.469 2.073 76 HD2 LYS 10 HD2 LYS 10 -6.891 -4.241 4.631 77 HD3 LYS 10 HD1 LYS 10 -8.524 -4.904 4.624 78 HE2 LYS 10 HE2 LYS 10 -6.036 -6.399 3.747 79 HE3 LYS 10 HE1 LYS 10 -6.847 -6.601 5.300 80 HZ1 LYS 10 HZ1 LYS 10 -8.909 -7.029 3.837 81 HZ2 LYS 10 HZ2 LYS 10 -7.767 -8.269 4.037 82 HZ3 LYS 10 HZ3 LYS 10 -7.782 -7.346 2.611 83 H ILE 11 HN ILE 11 -4.763 -1.418 3.894 84 HA ILE 11 HA ILE 11 -3.692 0.168 1.638 85 HB ILE 11 HB ILE 11 -3.630 0.529 4.613 86 HG12 ILE 11 HG12 ILE 11 -5.167 1.672 2.779 87 HG13 ILE 11 HG11 ILE 11 -4.531 2.614 4.126 88 HG21 ILE 11 HG21 ILE 11 -1.305 0.652 4.226 89 HG22 ILE 11 HG22 ILE 11 -1.833 2.327 4.092 90 HG23 ILE 11 HG23 ILE 11 -1.518 1.382 2.635 91 HD11 ILE 11 HD11 ILE 11 -4.273 3.595 1.741 92 HD12 ILE 11 HD12 ILE 11 -3.003 2.390 1.532 93 HD13 ILE 11 HD13 ILE 11 -2.859 3.614 2.793 94 H ILE 12 HN ILE 12 -1.902 -0.579 0.692 95 HA ILE 12 HA ILE 12 -0.021 -2.199 2.287 96 HB ILE 12 HB ILE 12 -0.376 -3.023 -0.526 97 HG12 ILE 12 HG12 ILE 12 -2.461 -3.548 1.615 98 HG13 ILE 12 HG11 ILE 12 -2.716 -2.740 0.068 99 HG21 ILE 12 HG21 ILE 12 0.135 -5.171 0.381 100 HG22 ILE 12 HG22 ILE 12 -0.291 -4.660 2.015 101 HG23 ILE 12 HG23 ILE 12 1.166 -4.030 1.245 102 HD11 ILE 12 HD11 ILE 12 -2.209 -5.651 0.615 103 HD12 ILE 12 HD12 ILE 12 -1.779 -4.963 -0.950 104 HD13 ILE 12 HD13 ILE 12 -3.451 -4.912 -0.394 105 H PHE 13 HN PHE 13 2.124 -2.265 1.455 106 HA PHE 13 HA PHE 13 2.796 0.066 -0.206 107 HB2 PHE 13 HB2 PHE 13 5.121 -0.718 0.962 108 HB3 PHE 13 HB1 PHE 13 4.029 0.479 1.651 109 HD1 PHE 13 HD1 PHE 13 2.824 0.044 3.657 110 HD2 PHE 13 HD2 PHE 13 4.898 -3.138 1.652 111 HE1 PHE 13 HE1 PHE 13 2.426 -1.441 5.603 112 HE2 PHE 13 HE2 PHE 13 4.499 -4.623 3.597 113 HZ PHE 13 HZ PHE 13 3.264 -3.774 5.574 114 H ASN 14 HN ASN 14 4.958 -0.271 -1.390 115 HA ASN 14 HA ASN 14 4.658 -2.289 -3.314 116 HB2 ASN 14 HB2 ASN 14 5.978 -0.307 -3.779 117 HB3 ASN 14 HB1 ASN 14 7.125 -0.731 -2.512 118 HD21 ASN 14 HD21 ASN 14 6.021 -3.535 -4.093 119 HD22 ASN 14 HD22 ASN 14 7.325 -3.735 -5.161 120 H GLU 15 HN GLU 15 7.813 -2.300 -1.955 121 HA GLU 15 HA GLU 15 7.501 -4.655 -0.337 122 HB2 GLU 15 HB2 GLU 15 7.433 -5.363 -2.865 123 HB3 GLU 15 HB1 GLU 15 9.175 -5.106 -2.778 124 HG2 GLU 15 HG2 GLU 15 8.919 -6.540 -0.551 125 HG3 GLU 15 HG1 GLU 15 7.488 -7.142 -1.384 126 H ARG 16 HN ARG 16 8.971 -1.875 -1.057 127 HA ARG 16 HA ARG 16 11.196 -2.396 0.706 128 HB2 ARG 16 HB2 ARG 16 11.910 -3.120 -1.663 129 HB3 ARG 16 HB1 ARG 16 11.900 -1.399 -2.047 130 HG2 ARG 16 HG2 ARG 16 13.501 -0.954 -0.251 131 HG3 ARG 16 HG1 ARG 16 13.470 -2.651 0.227 132 HD2 ARG 16 HD2 ARG 16 14.006 -2.510 -2.585 133 HD3 ARG 16 HD1 ARG 16 15.109 -1.412 -1.752 134 HE ARG 16 HE ARG 16 15.104 -3.829 -0.305 135 HH11 ARG 16 HH11 ARG 16 16.744 -5.355 -0.655 136 HH12 ARG 16 HH12 ARG 16 17.637 -5.341 -2.139 137 HH21 ARG 16 HH21 ARG 16 15.918 -2.633 -3.457 138 HH22 ARG 16 HH22 ARG 16 17.170 -3.800 -3.726
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