NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601191 | 2n63 | 25749 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H21 PTL 1 H1 MET 1 1.522 0.000 -0.314 2 H22 PTL 1 HA MET 1 1.403 0.169 -2.055 3 H31 PTL 1 2HB MET 1 3.916 0.864 -0.535 4 H32 PTL 1 3HB MET 1 3.552 1.220 -2.218 5 H41 PTL 1 2HG MET 1 3.088 3.248 -1.354 6 H42 PTL 1 3HG MET 1 1.515 2.501 -1.088 7 H51 PTL 1 H3 MET 1 2.151 1.959 1.205 8 H52 PTL 1 H2 MET 1 2.264 3.707 0.888 9 H53 PTL 1 H4 MET 1 3.740 2.714 0.935 10 H VAL 2 H VAL 2 3.702 -0.649 -3.090 11 HA VAL 2 HA VAL 2 3.736 -3.489 -2.436 12 HB VAL 2 HB VAL 2 5.100 -2.056 -4.720 13 HG11 VAL 2 1HG1 VAL 2 4.974 -4.857 -3.828 14 HG12 VAL 2 2HG1 VAL 2 4.697 -4.596 -5.551 15 HG13 VAL 2 3HG1 VAL 2 6.188 -4.026 -4.800 16 HG21 VAL 2 3HG2 VAL 2 2.748 -1.727 -4.959 17 HG22 VAL 2 1HG2 VAL 2 3.220 -3.008 -6.075 18 HG23 VAL 2 2HG2 VAL 2 2.413 -3.411 -4.559 19 H ALA 3 H ALA 3 5.571 -0.701 -1.831 20 HA ALA 3 HA ALA 3 8.188 -1.702 -1.791 21 HB1 ALA 3 3HB ALA 3 7.912 0.637 -1.661 22 HB2 ALA 3 1HB ALA 3 6.862 0.513 -0.249 23 HB3 ALA 3 2HB ALA 3 8.582 0.147 -0.105 24 H ARG 4 H ARG 4 5.528 -2.201 0.353 25 HA ARG 4 HA ARG 4 6.808 -2.810 2.742 26 HB2 ARG 4 2HB ARG 4 4.293 -3.925 1.505 27 HB3 ARG 4 3HB ARG 4 4.822 -4.348 3.128 28 HG2 ARG 4 2HG ARG 4 4.373 -2.261 3.969 29 HG3 ARG 4 3HG ARG 4 4.546 -1.474 2.399 30 HD2 ARG 4 2HD ARG 4 2.396 -1.840 1.835 31 HD3 ARG 4 3HD ARG 4 2.368 -3.438 2.579 32 HE ARG 4 HE ARG 4 2.435 -1.315 4.499 33 HH11 ARG 4 1HH1 ARG 4 0.369 -3.203 2.429 34 HH12 ARG 4 2HH1 ARG 4 -1.046 -2.955 3.397 35 HH21 ARG 4 2HH2 ARG 4 -0.926 -1.691 5.303 36 HH22 ARG 4 1HH2 ARG 4 0.578 -0.981 5.782 37 H GLY 5 H GLY 5 6.099 -4.919 -0.028 38 HA2 GLY 5 2HA GLY 5 8.004 -6.871 1.113 39 HA3 GLY 5 3HA GLY 5 6.562 -7.351 0.230 40 H TRP 6 H TRP 6 8.594 -4.656 -0.711 41 HA TRP 6 HA TRP 6 9.499 -6.230 -3.033 42 HB2 TRP 6 2HB TRP 6 7.918 -4.665 -3.870 43 HB3 TRP 6 3HB TRP 6 8.576 -3.363 -2.883 44 HD1 TRP 6 HD1 TRP 6 9.102 -1.770 -4.922 45 HE1 TRP 6 HE1 TRP 6 10.871 -1.835 -6.791 46 HE3 TRP 6 HE3 TRP 6 10.695 -6.596 -4.363 47 HZ2 TRP 6 HZ2 TRP 6 12.699 -3.688 -7.884 48 HZ3 TRP 6 HZ3 TRP 6 12.456 -7.437 -5.861 49 HH2 TRP 6 HH2 TRP 6 13.436 -6.012 -7.585 50 H LYS 7 H LYS 7 10.313 -2.976 -1.871 51 HA LYS 7 HA LYS 7 13.143 -3.763 -1.897 52 HB2 LYS 7 2HB LYS 7 11.745 -1.120 -2.216 53 HB3 LYS 7 3HB LYS 7 13.455 -1.199 -1.811 54 HG2 LYS 7 2HG LYS 7 12.124 -2.290 -4.279 55 HG3 LYS 7 3HG LYS 7 13.227 -0.915 -4.176 56 HD2 LYS 7 2HD LYS 7 14.930 -2.573 -3.242 57 HD3 LYS 7 3HD LYS 7 13.834 -3.837 -3.806 58 HE2 LYS 7 2HE LYS 7 14.725 -3.666 -5.831 59 HE3 LYS 7 3HE LYS 7 14.132 -2.009 -5.930 60 HZ1 LYS 7 3HZ LYS 7 16.811 -2.989 -5.389 61 HZ2 LYS 7 1HZ LYS 7 16.319 -1.663 -4.460 62 HZ3 LYS 7 2HZ LYS 7 16.311 -1.562 -6.148 63 H ARG 8 H ARG 8 11.762 -1.017 -0.192 64 HA ARG 8 HA ARG 8 12.767 -2.167 2.326 65 HB2 ARG 8 2HB ARG 8 12.548 0.702 1.416 66 HB3 ARG 8 3HB ARG 8 12.877 0.246 3.082 67 HG2 ARG 8 2HG ARG 8 14.584 -0.439 0.697 68 HG3 ARG 8 3HG ARG 8 14.921 0.815 1.893 69 HD2 ARG 8 2HD ARG 8 14.565 -1.335 3.498 70 HD3 ARG 8 3HD ARG 8 15.239 -2.107 2.062 71 HE ARG 8 HE ARG 8 17.260 -1.134 2.528 72 HH11 ARG 8 1HH1 ARG 8 14.777 0.419 4.411 73 HH12 ARG 8 2HH1 ARG 8 15.894 1.339 5.364 74 HH21 ARG 8 2HH2 ARG 8 18.147 1.143 5.001 75 HH22 ARG 8 1HH2 ARG 8 18.740 0.073 3.776 76 H LYS 9 H LYS 9 11.020 0.713 2.635 77 HA LYS 9 HA LYS 9 8.592 -0.762 3.420 78 HB2 LYS 9 2HB LYS 9 8.479 1.390 5.044 79 HB3 LYS 9 3HB LYS 9 9.202 -0.144 5.513 80 HG2 LYS 9 2HG LYS 9 10.922 1.876 4.174 81 HG3 LYS 9 3HG LYS 9 10.464 2.136 5.859 82 HD2 LYS 9 2HD LYS 9 11.592 -0.488 4.940 83 HD3 LYS 9 3HD LYS 9 12.646 0.861 5.367 84 HE2 LYS 9 2HE LYS 9 11.695 0.946 7.589 85 HE3 LYS 9 3HE LYS 9 10.532 -0.311 7.171 86 HZ1 LYS 9 3HZ LYS 9 12.083 -1.929 7.338 87 HZ2 LYS 9 1HZ LYS 9 12.804 -0.828 8.400 88 HZ3 LYS 9 2HZ LYS 9 13.354 -0.948 6.805 89 H CYS 10 H CYS 10 9.577 2.649 3.061 90 HA CYS 10 HA CYS 10 7.023 3.366 1.975 91 HB2 CYS 10 2HB CYS 10 9.439 4.750 2.872 92 HB3 CYS 10 3HB CYS 10 8.705 5.495 1.457 93 HG CYS 10 HG CYS 10 6.653 4.742 4.035 94 HA PRO 11 HA PRO 11 9.506 4.067 -2.094 95 HB2 PRO 11 2HB PRO 11 12.109 3.298 -2.139 96 HB3 PRO 11 3HB PRO 11 11.593 4.911 -1.633 97 HG2 PRO 11 2HG PRO 11 12.323 2.543 0.046 98 HG3 PRO 11 3HG PRO 11 12.763 4.247 0.263 99 HD2 PRO 11 2HD PRO 11 10.776 3.064 1.672 100 HD3 PRO 11 3HD PRO 11 10.733 4.780 1.216 101 H LEU 12 H LEU 12 9.127 2.646 -3.685 102 HA LEU 12 HA LEU 12 9.595 -0.209 -3.128 103 HB2 LEU 12 2HB LEU 12 7.794 -0.367 -5.056 104 HB3 LEU 12 3HB LEU 12 7.341 -0.186 -3.362 105 HG LEU 12 HG LEU 12 7.622 2.233 -5.099 106 HD11 LEU 12 1HD1 LEU 12 6.159 1.109 -6.478 107 HD12 LEU 12 2HD1 LEU 12 5.054 1.919 -5.369 108 HD13 LEU 12 3HD1 LEU 12 5.427 0.210 -5.149 109 HD21 LEU 12 3HD2 LEU 12 6.327 1.493 -2.526 110 HD22 LEU 12 1HD2 LEU 12 5.587 2.758 -3.507 111 HD23 LEU 12 2HD2 LEU 12 7.253 2.932 -2.955 112 H PHE 13 H PHE 13 8.618 0.985 -6.242 113 HA PHE 13 HA PHE 13 11.125 -0.003 -7.374 114 HB2 PHE 13 2HB PHE 13 8.568 0.802 -8.776 115 HB3 PHE 13 3HB PHE 13 9.955 0.009 -9.517 116 HD1 PHE 13 HD1 PHE 13 7.314 -0.438 -6.954 117 HD2 PHE 13 HD2 PHE 13 10.128 -2.316 -9.537 118 HE1 PHE 13 HE1 PHE 13 6.338 -2.632 -6.417 119 HE2 PHE 13 HE2 PHE 13 9.156 -4.513 -9.005 120 HZ PHE 13 HZ PHE 13 7.258 -4.673 -7.444 121 H GLY 14 H GLY 14 9.165 2.384 -8.992 122 HA2 GLY 14 2HA GLY 14 11.346 4.349 -8.647 123 HA3 GLY 14 3HA GLY 14 10.586 4.060 -10.205 124 H LYS 15 H LYS 15 8.169 3.753 -8.035 125 HA LYS 15 HA LYS 15 7.073 6.329 -8.694 126 HB2 LYS 15 2HB LYS 15 5.953 4.225 -6.836 127 HB3 LYS 15 3HB LYS 15 5.071 5.560 -7.566 128 HG2 LYS 15 2HG LYS 15 4.466 4.058 -9.100 129 HG3 LYS 15 3HG LYS 15 6.084 4.305 -9.761 130 HD2 LYS 15 2HD LYS 15 6.721 2.463 -7.986 131 HD3 LYS 15 3HD LYS 15 5.012 2.047 -8.138 132 HE2 LYS 15 2HE LYS 15 6.346 0.727 -9.678 133 HE3 LYS 15 3HE LYS 15 5.294 1.828 -10.565 134 HZ1 LYS 15 3HZ LYS 15 7.069 2.642 -11.576 135 HZ2 LYS 15 1HZ LYS 15 8.080 1.599 -10.709 136 HZ3 LYS 15 2HZ LYS 15 7.721 3.132 -10.093 137 H GLY 16 H GLY 16 5.807 5.767 -5.761 138 HA2 GLY 16 2HA GLY 16 7.788 7.487 -4.399 139 HA3 GLY 16 3HA GLY 16 6.055 7.725 -4.236 140 H GLY 17 H GLY 17 4.866 6.401 -2.877 141 HA2 GLY 17 2HA GLY 17 5.454 4.003 -1.756 142 HA3 GLY 17 3HA GLY 17 6.401 5.127 -0.792 Start of MODEL 2 1 H21 PTL 1 H1 MET 1 1.971 -0.192 0.482 2 H22 PTL 1 HA MET 1 1.635 0.066 -1.219 3 H31 PTL 1 2HB MET 1 4.052 0.902 -1.434 4 H32 PTL 1 3HB MET 1 2.894 1.954 -0.630 5 H41 PTL 1 2HG MET 1 4.215 0.181 1.236 6 H42 PTL 1 3HG MET 1 5.362 1.163 0.326 7 H51 PTL 1 H3 MET 1 4.161 3.184 0.981 8 H52 PTL 1 H2 MET 1 4.709 2.259 2.399 9 H53 PTL 1 H4 MET 1 3.002 2.192 1.897 10 H VAL 2 H VAL 2 3.658 -0.689 -2.647 11 HA VAL 2 HA VAL 2 3.855 -3.539 -2.163 12 HB VAL 2 HB VAL 2 4.933 -1.899 -4.461 13 HG11 VAL 2 1HG1 VAL 2 6.117 -3.791 -4.786 14 HG12 VAL 2 2HG1 VAL 2 5.045 -4.762 -3.774 15 HG13 VAL 2 3HG1 VAL 2 4.593 -4.391 -5.437 16 HG21 VAL 2 3HG2 VAL 2 2.814 -1.738 -5.122 17 HG22 VAL 2 1HG2 VAL 2 2.810 -3.490 -5.321 18 HG23 VAL 2 2HG2 VAL 2 2.264 -2.775 -3.804 19 H ALA 3 H ALA 3 5.754 -0.763 -1.610 20 HA ALA 3 HA ALA 3 8.353 -1.777 -1.870 21 HB1 ALA 3 3HB ALA 3 8.062 0.566 -1.625 22 HB2 ALA 3 1HB ALA 3 7.231 0.368 -0.081 23 HB3 ALA 3 2HB ALA 3 8.954 0.010 -0.208 24 H ARG 4 H ARG 4 6.044 -1.942 0.791 25 HA ARG 4 HA ARG 4 7.671 -2.868 2.824 26 HB2 ARG 4 2HB ARG 4 4.826 -3.703 2.228 27 HB3 ARG 4 3HB ARG 4 5.649 -3.908 3.769 28 HG2 ARG 4 2HG ARG 4 5.534 -1.679 4.287 29 HG3 ARG 4 3HG ARG 4 5.457 -1.180 2.595 30 HD2 ARG 4 2HD ARG 4 3.292 -0.801 3.275 31 HD3 ARG 4 3HD ARG 4 3.169 -2.438 2.632 32 HE ARG 4 HE ARG 4 2.682 -3.181 4.736 33 HH11 ARG 4 1HH1 ARG 4 4.122 -0.019 4.962 34 HH12 ARG 4 2HH1 ARG 4 3.835 0.133 6.664 35 HH21 ARG 4 2HH2 ARG 4 2.801 -1.559 7.810 36 HH22 ARG 4 1HH2 ARG 4 2.301 -2.993 6.977 37 H GLY 5 H GLY 5 6.423 -4.564 0.033 38 HA2 GLY 5 2HA GLY 5 7.815 -6.998 0.968 39 HA3 GLY 5 3HA GLY 5 6.344 -7.043 0.007 40 H TRP 6 H TRP 6 8.533 -4.579 -0.857 41 HA TRP 6 HA TRP 6 9.528 -6.222 -3.092 42 HB2 TRP 6 2HB TRP 6 7.992 -4.711 -4.063 43 HB3 TRP 6 3HB TRP 6 8.546 -3.374 -3.060 44 HD1 TRP 6 HD1 TRP 6 9.182 -1.775 -5.048 45 HE1 TRP 6 HE1 TRP 6 11.049 -1.816 -6.820 46 HE3 TRP 6 HE3 TRP 6 10.802 -6.581 -4.410 47 HZ2 TRP 6 HZ2 TRP 6 12.955 -3.644 -7.816 48 HZ3 TRP 6 HZ3 TRP 6 12.651 -7.398 -5.813 49 HH2 TRP 6 HH2 TRP 6 13.704 -5.959 -7.480 50 H LYS 7 H LYS 7 10.254 -2.964 -1.847 51 HA LYS 7 HA LYS 7 13.102 -3.699 -1.843 52 HB2 LYS 7 2HB LYS 7 11.665 -1.085 -2.198 53 HB3 LYS 7 3HB LYS 7 13.354 -1.119 -1.711 54 HG2 LYS 7 2HG LYS 7 12.166 -2.213 -4.250 55 HG3 LYS 7 3HG LYS 7 13.254 -0.833 -4.077 56 HD2 LYS 7 2HD LYS 7 14.914 -2.496 -3.068 57 HD3 LYS 7 3HD LYS 7 13.859 -3.755 -3.715 58 HE2 LYS 7 2HE LYS 7 15.404 -3.479 -5.415 59 HE3 LYS 7 3HE LYS 7 14.077 -2.444 -5.941 60 HZ1 LYS 7 3HZ LYS 7 16.070 -1.228 -6.217 61 HZ2 LYS 7 1HZ LYS 7 16.618 -1.608 -4.662 62 HZ3 LYS 7 2HZ LYS 7 15.298 -0.568 -4.864 63 H ARG 8 H ARG 8 11.613 -1.000 -0.148 64 HA ARG 8 HA ARG 8 12.557 -2.165 2.388 65 HB2 ARG 8 2HB ARG 8 12.360 0.723 1.530 66 HB3 ARG 8 3HB ARG 8 12.701 0.217 3.179 67 HG2 ARG 8 2HG ARG 8 14.813 0.597 2.383 68 HG3 ARG 8 3HG ARG 8 14.637 -1.128 2.057 69 HD2 ARG 8 2HD ARG 8 14.852 -0.808 -0.135 70 HD3 ARG 8 3HD ARG 8 13.612 0.446 -0.131 71 HE ARG 8 HE ARG 8 15.949 1.555 0.910 72 HH11 ARG 8 1HH1 ARG 8 14.776 0.247 -2.095 73 HH12 ARG 8 2HH1 ARG 8 15.809 1.232 -3.078 74 HH21 ARG 8 2HH2 ARG 8 17.252 2.715 -2.097 75 HH22 ARG 8 1HH2 ARG 8 17.314 2.857 -0.373 76 H LYS 9 H LYS 9 10.866 0.709 2.772 77 HA LYS 9 HA LYS 9 8.377 -0.738 3.403 78 HB2 LYS 9 2HB LYS 9 8.108 1.080 5.202 79 HB3 LYS 9 3HB LYS 9 9.258 -0.215 5.509 80 HG2 LYS 9 2HG LYS 9 11.031 1.361 4.588 81 HG3 LYS 9 3HG LYS 9 9.813 2.629 4.738 82 HD2 LYS 9 2HD LYS 9 10.296 0.875 7.088 83 HD3 LYS 9 3HD LYS 9 11.519 2.086 6.694 84 HE2 LYS 9 2HE LYS 9 8.592 2.730 6.984 85 HE3 LYS 9 3HE LYS 9 9.732 2.807 8.326 86 HZ1 LYS 9 3HZ LYS 9 9.357 4.632 6.132 87 HZ2 LYS 9 1HZ LYS 9 10.979 4.236 6.407 88 HZ3 LYS 9 2HZ LYS 9 10.047 4.897 7.654 89 H CYS 10 H CYS 10 9.667 2.539 2.837 90 HA CYS 10 HA CYS 10 7.089 3.423 1.844 91 HB2 CYS 10 2HB CYS 10 9.518 4.687 2.833 92 HB3 CYS 10 3HB CYS 10 8.924 5.458 1.368 93 HG CYS 10 HG CYS 10 7.238 6.926 2.610 94 HA PRO 11 HA PRO 11 9.625 4.068 -2.190 95 HB2 PRO 11 2HB PRO 11 12.233 3.315 -2.199 96 HB3 PRO 11 3HB PRO 11 11.700 4.926 -1.707 97 HG2 PRO 11 2HG PRO 11 12.423 2.570 -0.009 98 HG3 PRO 11 3HG PRO 11 12.850 4.278 0.206 99 HD2 PRO 11 2HD PRO 11 10.852 3.089 1.595 100 HD3 PRO 11 3HD PRO 11 10.806 4.802 1.132 101 H LEU 12 H LEU 12 9.127 2.621 -3.708 102 HA LEU 12 HA LEU 12 9.677 -0.221 -3.167 103 HB2 LEU 12 2HB LEU 12 7.848 -0.393 -5.077 104 HB3 LEU 12 3HB LEU 12 7.425 -0.242 -3.373 105 HG LEU 12 HG LEU 12 7.639 2.210 -5.071 106 HD11 LEU 12 1HD1 LEU 12 6.178 1.122 -6.465 107 HD12 LEU 12 2HD1 LEU 12 5.061 1.833 -5.300 108 HD13 LEU 12 3HD1 LEU 12 5.505 0.131 -5.169 109 HD21 LEU 12 3HD2 LEU 12 5.607 2.661 -3.452 110 HD22 LEU 12 1HD2 LEU 12 7.274 2.860 -2.912 111 HD23 LEU 12 2HD2 LEU 12 6.383 1.393 -2.502 112 H PHE 13 H PHE 13 8.656 1.010 -6.264 113 HA PHE 13 HA PHE 13 11.149 0.019 -7.434 114 HB2 PHE 13 2HB PHE 13 8.569 0.808 -8.803 115 HB3 PHE 13 3HB PHE 13 9.949 0.019 -9.559 116 HD1 PHE 13 HD1 PHE 13 7.319 -0.428 -6.990 117 HD2 PHE 13 HD2 PHE 13 10.154 -2.308 -9.548 118 HE1 PHE 13 HE1 PHE 13 6.358 -2.625 -6.436 119 HE2 PHE 13 HE2 PHE 13 9.198 -4.508 -8.999 120 HZ PHE 13 HZ PHE 13 7.296 -4.668 -7.442 121 H GLY 14 H GLY 14 9.135 2.405 -8.998 122 HA2 GLY 14 2HA GLY 14 11.315 4.376 -8.699 123 HA3 GLY 14 3HA GLY 14 10.519 4.092 -10.240 124 H LYS 15 H LYS 15 8.137 3.757 -8.056 125 HA LYS 15 HA LYS 15 7.033 6.343 -8.652 126 HB2 LYS 15 2HB LYS 15 5.932 4.213 -6.814 127 HB3 LYS 15 3HB LYS 15 5.044 5.554 -7.525 128 HG2 LYS 15 2HG LYS 15 4.432 4.066 -9.071 129 HG3 LYS 15 3HG LYS 15 6.047 4.319 -9.738 130 HD2 LYS 15 2HD LYS 15 6.691 2.461 -7.981 131 HD3 LYS 15 3HD LYS 15 4.982 2.046 -8.131 132 HE2 LYS 15 2HE LYS 15 6.309 0.741 -9.688 133 HE3 LYS 15 3HE LYS 15 5.256 1.852 -10.562 134 HZ1 LYS 15 3HZ LYS 15 8.045 1.624 -10.709 135 HZ2 LYS 15 1HZ LYS 15 7.679 3.155 -10.089 136 HZ3 LYS 15 2HZ LYS 15 7.030 2.666 -11.572 137 H GLY 16 H GLY 16 5.794 5.741 -5.721 138 HA2 GLY 16 2HA GLY 16 7.799 7.420 -4.344 139 HA3 GLY 16 3HA GLY 16 6.070 7.678 -4.170 140 H GLY 17 H GLY 17 4.875 6.366 -2.813 141 HA2 GLY 17 2HA GLY 17 5.487 3.934 -1.731 142 HA3 GLY 17 3HA GLY 17 6.376 5.074 -0.731 Start of MODEL 3 1 H21 PTL 1 HA2 MET 1 1.392 -0.362 -0.519 2 H22 PTL 1 HA3 MET 1 2.745 0.156 0.529 3 H31 PTL 1 2HB MET 1 0.341 -1.508 1.213 4 H32 PTL 1 3HB MET 1 1.812 -1.633 2.169 5 H41 PTL 1 2HG MET 1 0.817 1.095 1.677 6 H42 PTL 1 3HG MET 1 -0.183 0.073 2.708 7 H51 PTL 1 2 MET 1 1.223 1.138 4.212 8 H52 PTL 1 3 MET 1 2.013 -0.435 3.955 9 H53 PTL 1 H1 MET 1 2.628 1.013 3.126 10 H VAL 2 H VAL 2 3.086 -1.122 -1.983 11 HA VAL 2 HA VAL 2 3.724 -3.898 -1.493 12 HB VAL 2 HB VAL 2 2.932 -2.855 -3.725 13 HG11 VAL 2 1HG1 VAL 2 5.863 -2.483 -4.211 14 HG12 VAL 2 2HG1 VAL 2 4.492 -1.882 -5.146 15 HG13 VAL 2 3HG1 VAL 2 4.880 -1.162 -3.583 16 HG21 VAL 2 3HG2 VAL 2 5.325 -4.622 -4.040 17 HG22 VAL 2 1HG2 VAL 2 3.891 -5.208 -3.199 18 HG23 VAL 2 2HG2 VAL 2 3.775 -4.679 -4.878 19 H ALA 3 H ALA 3 5.356 -0.844 -1.435 20 HA ALA 3 HA ALA 3 7.995 -1.554 -1.860 21 HB1 ALA 3 3HB ALA 3 8.374 0.321 -0.033 22 HB2 ALA 3 1HB ALA 3 7.773 0.703 -1.647 23 HB3 ALA 3 2HB ALA 3 6.648 0.579 -0.295 24 H ARG 4 H ARG 4 5.960 -2.138 0.915 25 HA ARG 4 HA ARG 4 8.003 -2.761 2.770 26 HB2 ARG 4 2HB ARG 4 6.283 -3.592 4.171 27 HB3 ARG 4 3HB ARG 4 5.575 -2.248 3.285 28 HG2 ARG 4 2HG ARG 4 4.748 -4.067 1.649 29 HG3 ARG 4 3HG ARG 4 5.084 -5.179 2.977 30 HD2 ARG 4 2HD ARG 4 3.552 -2.750 3.660 31 HD3 ARG 4 3HD ARG 4 2.727 -3.927 2.638 32 HE ARG 4 HE ARG 4 3.349 -4.195 5.419 33 HH11 ARG 4 1HH1 ARG 4 2.824 -5.941 2.454 34 HH12 ARG 4 2HH1 ARG 4 2.334 -7.401 3.248 35 HH21 ARG 4 2HH2 ARG 4 2.265 -7.497 5.536 36 HH22 ARG 4 1HH2 ARG 4 2.705 -6.111 6.476 37 H GLY 5 H GLY 5 6.405 -4.584 0.258 38 HA2 GLY 5 2HA GLY 5 7.913 -6.985 1.089 39 HA3 GLY 5 3HA GLY 5 6.400 -7.030 0.196 40 H TRP 6 H TRP 6 8.591 -4.583 -0.749 41 HA TRP 6 HA TRP 6 9.444 -6.222 -3.046 42 HB2 TRP 6 2HB TRP 6 7.900 -4.659 -3.922 43 HB3 TRP 6 3HB TRP 6 8.544 -3.349 -2.937 44 HD1 TRP 6 HD1 TRP 6 9.111 -1.757 -4.957 45 HE1 TRP 6 HE1 TRP 6 10.889 -1.832 -6.815 46 HE3 TRP 6 HE3 TRP 6 10.655 -6.599 -4.406 47 HZ2 TRP 6 HZ2 TRP 6 12.706 -3.697 -7.904 48 HZ3 TRP 6 HZ3 TRP 6 12.417 -7.452 -5.895 49 HH2 TRP 6 HH2 TRP 6 13.421 -6.030 -7.608 50 H LYS 7 H LYS 7 10.321 -2.976 -1.893 51 HA LYS 7 HA LYS 7 13.141 -3.800 -1.981 52 HB2 LYS 7 2HB LYS 7 11.765 -1.148 -2.295 53 HB3 LYS 7 3HB LYS 7 13.472 -1.228 -1.878 54 HG2 LYS 7 2HG LYS 7 12.152 -2.313 -4.355 55 HG3 LYS 7 3HG LYS 7 13.271 -0.952 -4.243 56 HD2 LYS 7 2HD LYS 7 14.954 -2.619 -3.307 57 HD3 LYS 7 3HD LYS 7 13.843 -3.879 -3.850 58 HE2 LYS 7 2HE LYS 7 15.013 -3.759 -5.766 59 HE3 LYS 7 3HE LYS 7 14.012 -2.342 -6.077 60 HZ1 LYS 7 3HZ LYS 7 15.913 -1.164 -4.745 61 HZ2 LYS 7 1HZ LYS 7 16.077 -1.473 -6.400 62 HZ3 LYS 7 2HZ LYS 7 16.824 -2.488 -5.273 63 H ARG 8 H ARG 8 11.807 -1.047 -0.244 64 HA ARG 8 HA ARG 8 12.874 -2.197 2.249 65 HB2 ARG 8 2HB ARG 8 12.570 0.677 1.375 66 HB3 ARG 8 3HB ARG 8 12.982 0.202 3.018 67 HG2 ARG 8 2HG ARG 8 14.594 -0.419 0.550 68 HG3 ARG 8 3HG ARG 8 14.957 0.833 1.741 69 HD2 ARG 8 2HD ARG 8 14.801 -1.230 3.398 70 HD3 ARG 8 3HD ARG 8 15.223 -2.120 1.935 71 HE ARG 8 HE ARG 8 16.947 -0.467 3.492 72 HH11 ARG 8 1HH1 ARG 8 16.298 -1.573 0.256 73 HH12 ARG 8 2HH1 ARG 8 17.931 -1.364 -0.283 74 HH21 ARG 8 2HH2 ARG 8 19.524 -0.577 1.162 75 HH22 ARG 8 1HH2 ARG 8 19.100 -0.187 2.795 76 H LYS 9 H LYS 9 11.115 0.643 2.672 77 HA LYS 9 HA LYS 9 8.718 -0.870 3.480 78 HB2 LYS 9 2HB LYS 9 10.035 1.465 4.874 79 HB3 LYS 9 3HB LYS 9 8.453 0.828 5.303 80 HG2 LYS 9 2HG LYS 9 9.676 -0.327 6.805 81 HG3 LYS 9 3HG LYS 9 9.860 -1.434 5.443 82 HD2 LYS 9 2HD LYS 9 11.935 0.053 4.887 83 HD3 LYS 9 3HD LYS 9 11.817 0.516 6.586 84 HE2 LYS 9 2HE LYS 9 11.713 -2.031 7.025 85 HE3 LYS 9 3HE LYS 9 12.363 -2.178 5.393 86 HZ1 LYS 9 3HZ LYS 9 14.021 -2.115 7.281 87 HZ2 LYS 9 1HZ LYS 9 13.646 -0.474 7.444 88 HZ3 LYS 9 2HZ LYS 9 14.307 -1.051 5.999 89 H CYS 10 H CYS 10 9.628 2.565 3.167 90 HA CYS 10 HA CYS 10 7.046 3.259 2.150 91 HB2 CYS 10 2HB CYS 10 9.470 4.662 2.991 92 HB3 CYS 10 3HB CYS 10 8.689 5.412 1.604 93 HG CYS 10 HG CYS 10 8.030 6.271 4.444 94 HA PRO 11 HA PRO 11 9.393 4.034 -1.984 95 HB2 PRO 11 2HB PRO 11 12.005 3.306 -2.116 96 HB3 PRO 11 3HB PRO 11 11.480 4.906 -1.579 97 HG2 PRO 11 2HG PRO 11 12.297 2.533 0.054 98 HG3 PRO 11 3HG PRO 11 12.717 4.242 0.275 99 HD2 PRO 11 2HD PRO 11 10.792 3.015 1.730 100 HD3 PRO 11 3HD PRO 11 10.709 4.733 1.294 101 H LEU 12 H LEU 12 9.102 2.636 -3.631 102 HA LEU 12 HA LEU 12 9.552 -0.224 -3.085 103 HB2 LEU 12 2HB LEU 12 7.772 -0.377 -5.028 104 HB3 LEU 12 3HB LEU 12 7.298 -0.193 -3.340 105 HG LEU 12 HG LEU 12 7.614 2.237 -5.050 106 HD11 LEU 12 1HD1 LEU 12 5.018 1.855 -5.351 107 HD12 LEU 12 2HD1 LEU 12 5.501 0.162 -5.279 108 HD13 LEU 12 3HD1 LEU 12 6.188 1.221 -6.509 109 HD21 LEU 12 3HD2 LEU 12 6.164 1.445 -2.564 110 HD22 LEU 12 1HD2 LEU 12 5.551 2.779 -3.543 111 HD23 LEU 12 2HD2 LEU 12 7.182 2.852 -2.874 112 H PHE 13 H PHE 13 8.612 1.008 -6.198 113 HA PHE 13 HA PHE 13 11.126 0.016 -7.313 114 HB2 PHE 13 2HB PHE 13 8.589 0.862 -8.729 115 HB3 PHE 13 3HB PHE 13 9.979 0.079 -9.472 116 HD1 PHE 13 HD1 PHE 13 7.324 -0.411 -6.930 117 HD2 PHE 13 HD2 PHE 13 10.134 -2.244 -9.549 118 HE1 PHE 13 HE1 PHE 13 6.336 -2.611 -6.444 119 HE2 PHE 13 HE2 PHE 13 9.150 -4.447 -9.069 120 HZ PHE 13 HZ PHE 13 7.248 -4.633 -7.516 121 H GLY 14 H GLY 14 9.291 2.378 -9.052 122 HA2 GLY 14 2HA GLY 14 11.421 4.366 -8.558 123 HA3 GLY 14 3HA GLY 14 10.776 4.059 -10.164 124 H LYS 15 H LYS 15 8.252 3.774 -8.070 125 HA LYS 15 HA LYS 15 7.169 6.327 -8.866 126 HB2 LYS 15 2HB LYS 15 5.939 4.256 -7.043 127 HB3 LYS 15 3HB LYS 15 5.104 5.561 -7.877 128 HG2 LYS 15 2HG LYS 15 4.635 4.042 -9.432 129 HG3 LYS 15 3HG LYS 15 6.317 4.218 -9.935 130 HD2 LYS 15 2HD LYS 15 6.920 2.390 -8.363 131 HD3 LYS 15 3HD LYS 15 5.203 2.171 -8.018 132 HE2 LYS 15 2HE LYS 15 5.157 2.057 -10.704 133 HE3 LYS 15 3HE LYS 15 6.778 1.431 -10.406 134 HZ1 LYS 15 3HZ LYS 15 4.993 0.217 -8.613 135 HZ2 LYS 15 1HZ LYS 15 5.901 -0.505 -9.845 136 HZ3 LYS 15 2HZ LYS 15 4.350 0.083 -10.172 137 H GLY 16 H GLY 16 5.728 5.792 -6.008 138 HA2 GLY 16 2HA GLY 16 7.605 7.553 -4.554 139 HA3 GLY 16 3HA GLY 16 5.861 7.763 -4.491 140 H GLY 17 H GLY 17 4.592 5.991 -3.534 141 HA2 GLY 17 2HA GLY 17 4.627 3.935 -2.215 142 HA3 GLY 17 3HA GLY 17 6.164 4.468 -1.552 Start of MODEL 4 1 H21 PTL 1 HA2 MET 1 1.761 0.288 -0.079 2 H22 PTL 1 HA3 MET 1 1.672 0.536 -1.847 3 H31 PTL 1 2HB MET 1 4.039 1.201 -0.088 4 H32 PTL 1 3HB MET 1 3.944 1.455 -1.826 5 H41 PTL 1 2HG MET 1 3.406 3.542 -1.169 6 H42 PTL 1 3HG MET 1 1.792 2.838 -1.098 7 H51 PTL 1 2 MET 1 2.129 4.084 0.898 8 H52 PTL 1 3 MET 1 2.199 2.357 1.321 9 H53 PTL 1 H1 MET 1 3.701 3.300 1.182 10 H VAL 2 H VAL 2 3.435 -0.508 -3.132 11 HA VAL 2 HA VAL 2 3.595 -3.281 -2.441 12 HB VAL 2 HB VAL 2 4.979 -1.833 -4.703 13 HG11 VAL 2 1HG1 VAL 2 4.506 -4.327 -5.604 14 HG12 VAL 2 2HG1 VAL 2 6.011 -3.837 -4.823 15 HG13 VAL 2 3HG1 VAL 2 4.758 -4.658 -3.891 16 HG21 VAL 2 3HG2 VAL 2 2.596 -1.452 -4.833 17 HG22 VAL 2 1HG2 VAL 2 3.074 -2.611 -6.074 18 HG23 VAL 2 2HG2 VAL 2 2.276 -3.171 -4.604 19 H ALA 3 H ALA 3 5.502 -0.583 -1.732 20 HA ALA 3 HA ALA 3 8.091 -1.690 -1.752 21 HB1 ALA 3 3HB ALA 3 6.894 0.566 -0.162 22 HB2 ALA 3 1HB ALA 3 8.603 0.137 -0.102 23 HB3 ALA 3 2HB ALA 3 7.881 0.668 -1.621 24 H ARG 4 H ARG 4 5.416 -2.341 0.223 25 HA ARG 4 HA ARG 4 6.548 -2.867 2.708 26 HB2 ARG 4 2HB ARG 4 4.122 -2.876 2.257 27 HB3 ARG 4 3HB ARG 4 4.304 -4.372 1.349 28 HG2 ARG 4 2HG ARG 4 3.450 -4.775 3.597 29 HG3 ARG 4 3HG ARG 4 5.027 -5.529 3.356 30 HD2 ARG 4 2HD ARG 4 5.906 -4.370 5.038 31 HD3 ARG 4 3HD ARG 4 5.338 -2.849 4.350 32 HE ARG 4 HE ARG 4 3.251 -4.294 5.658 33 HH11 ARG 4 1HH1 ARG 4 5.961 -2.172 6.182 34 HH12 ARG 4 2HH1 ARG 4 5.337 -1.528 7.664 35 HH21 ARG 4 2HH2 ARG 4 3.323 -2.258 8.476 36 HH22 ARG 4 1HH2 ARG 4 2.419 -3.453 7.609 37 H GLY 5 H GLY 5 6.081 -5.102 -0.032 38 HA2 GLY 5 2HA GLY 5 8.174 -6.812 1.165 39 HA3 GLY 5 3HA GLY 5 6.772 -7.468 0.333 40 H TRP 6 H TRP 6 8.681 -4.682 -0.681 41 HA TRP 6 HA TRP 6 9.562 -6.242 -3.021 42 HB2 TRP 6 2HB TRP 6 7.947 -4.694 -3.823 43 HB3 TRP 6 3HB TRP 6 8.610 -3.386 -2.849 44 HD1 TRP 6 HD1 TRP 6 9.096 -1.776 -4.877 45 HE1 TRP 6 HE1 TRP 6 10.819 -1.824 -6.789 46 HE3 TRP 6 HE3 TRP 6 10.707 -6.605 -4.399 47 HZ2 TRP 6 HZ2 TRP 6 12.623 -3.664 -7.941 48 HZ3 TRP 6 HZ3 TRP 6 12.434 -7.430 -5.945 49 HH2 TRP 6 HH2 TRP 6 13.369 -5.989 -7.680 50 H LYS 7 H LYS 7 10.357 -2.984 -1.850 51 HA LYS 7 HA LYS 7 13.196 -3.742 -1.926 52 HB2 LYS 7 2HB LYS 7 11.772 -1.113 -2.248 53 HB3 LYS 7 3HB LYS 7 13.489 -1.176 -1.870 54 HG2 LYS 7 2HG LYS 7 12.124 -2.296 -4.308 55 HG3 LYS 7 3HG LYS 7 13.222 -0.915 -4.233 56 HD2 LYS 7 2HD LYS 7 14.942 -2.567 -3.303 57 HD3 LYS 7 3HD LYS 7 13.845 -3.832 -3.863 58 HE2 LYS 7 2HE LYS 7 15.291 -3.580 -5.657 59 HE3 LYS 7 3HE LYS 7 13.924 -2.568 -6.119 60 HZ1 LYS 7 3HZ LYS 7 16.568 -1.721 -5.103 61 HZ2 LYS 7 1HZ LYS 7 15.232 -0.683 -5.069 62 HZ3 LYS 7 2HZ LYS 7 15.802 -1.279 -6.546 63 H ARG 8 H ARG 8 11.803 -0.998 -0.226 64 HA ARG 8 HA ARG 8 12.876 -2.102 2.284 65 HB2 ARG 8 2HB ARG 8 12.539 0.756 1.372 66 HB3 ARG 8 3HB ARG 8 12.944 0.309 3.025 67 HG2 ARG 8 2HG ARG 8 14.586 -0.346 0.586 68 HG3 ARG 8 3HG ARG 8 14.916 0.954 1.732 69 HD2 ARG 8 2HD ARG 8 14.632 -1.299 3.322 70 HD3 ARG 8 3HD ARG 8 15.518 -1.876 1.911 71 HE ARG 8 HE ARG 8 16.810 0.412 2.610 72 HH11 ARG 8 1HH1 ARG 8 15.940 -2.507 4.295 73 HH12 ARG 8 2HH1 ARG 8 17.297 -2.446 5.369 74 HH21 ARG 8 2HH2 ARG 8 18.809 -0.733 5.213 75 HH22 ARG 8 1HH2 ARG 8 18.600 0.504 4.019 76 H LYS 9 H LYS 9 11.073 0.719 2.661 77 HA LYS 9 HA LYS 9 8.694 -0.819 3.475 78 HB2 LYS 9 2HB LYS 9 10.030 1.507 4.859 79 HB3 LYS 9 3HB LYS 9 8.404 0.963 5.252 80 HG2 LYS 9 2HG LYS 9 9.297 -0.462 6.689 81 HG3 LYS 9 3HG LYS 9 9.997 -1.333 5.323 82 HD2 LYS 9 2HD LYS 9 11.771 0.689 5.579 83 HD3 LYS 9 3HD LYS 9 11.261 0.497 7.258 84 HE2 LYS 9 2HE LYS 9 11.629 -2.098 6.395 85 HE3 LYS 9 3HE LYS 9 12.934 -1.216 5.603 86 HZ1 LYS 9 3HZ LYS 9 12.685 -1.967 8.324 87 HZ2 LYS 9 1HZ LYS 9 12.862 -0.288 8.199 88 HZ3 LYS 9 2HZ LYS 9 14.020 -1.314 7.516 89 H CYS 10 H CYS 10 9.586 2.615 3.090 90 HA CYS 10 HA CYS 10 6.990 3.262 2.054 91 HB2 CYS 10 2HB CYS 10 9.370 4.711 2.932 92 HB3 CYS 10 3HB CYS 10 8.614 5.437 1.519 93 HG CYS 10 HG CYS 10 6.586 6.496 2.718 94 HA PRO 11 HA PRO 11 9.385 4.054 -2.050 95 HB2 PRO 11 2HB PRO 11 12.014 3.377 -2.136 96 HB3 PRO 11 3HB PRO 11 11.448 4.969 -1.619 97 HG2 PRO 11 2HG PRO 11 12.287 2.624 0.043 98 HG3 PRO 11 3HG PRO 11 12.670 4.342 0.258 99 HD2 PRO 11 2HD PRO 11 10.748 3.087 1.693 100 HD3 PRO 11 3HD PRO 11 10.638 4.801 1.244 101 H LEU 12 H LEU 12 9.040 2.625 -3.643 102 HA LEU 12 HA LEU 12 9.604 -0.214 -3.098 103 HB2 LEU 12 2HB LEU 12 7.798 -0.403 -5.030 104 HB3 LEU 12 3HB LEU 12 7.357 -0.283 -3.329 105 HG LEU 12 HG LEU 12 7.550 2.222 -4.932 106 HD11 LEU 12 1HD1 LEU 12 6.202 1.212 -6.469 107 HD12 LEU 12 2HD1 LEU 12 4.985 1.739 -5.306 108 HD13 LEU 12 3HD1 LEU 12 5.541 0.064 -5.304 109 HD21 LEU 12 3HD2 LEU 12 5.580 2.755 -3.448 110 HD22 LEU 12 1HD2 LEU 12 7.119 2.509 -2.622 111 HD23 LEU 12 2HD2 LEU 12 5.902 1.232 -2.616 112 H PHE 13 H PHE 13 8.581 0.985 -6.200 113 HA PHE 13 HA PHE 13 11.097 0.049 -7.355 114 HB2 PHE 13 2HB PHE 13 8.524 0.844 -8.734 115 HB3 PHE 13 3HB PHE 13 9.916 0.081 -9.494 116 HD1 PHE 13 HD1 PHE 13 7.302 -0.442 -6.917 117 HD2 PHE 13 HD2 PHE 13 10.112 -2.240 -9.561 118 HE1 PHE 13 HE1 PHE 13 6.358 -2.657 -6.410 119 HE2 PHE 13 HE2 PHE 13 9.171 -4.457 -9.059 120 HZ PHE 13 HZ PHE 13 7.291 -4.668 -7.482 121 H GLY 14 H GLY 14 9.424 2.207 -9.344 122 HA2 GLY 14 2HA GLY 14 11.343 4.358 -8.689 123 HA3 GLY 14 3HA GLY 14 10.920 3.930 -10.339 124 H LYS 15 H LYS 15 8.068 3.510 -9.294 125 HA LYS 15 HA LYS 15 6.981 5.917 -10.160 126 HB2 LYS 15 2HB LYS 15 4.945 5.056 -8.717 127 HB3 LYS 15 3HB LYS 15 5.428 4.225 -10.190 128 HG2 LYS 15 2HG LYS 15 6.782 3.278 -7.774 129 HG3 LYS 15 3HG LYS 15 5.033 3.035 -7.780 130 HD2 LYS 15 2HD LYS 15 6.770 2.256 -10.108 131 HD3 LYS 15 3HD LYS 15 6.471 1.166 -8.751 132 HE2 LYS 15 2HE LYS 15 3.957 1.812 -9.260 133 HE3 LYS 15 3HE LYS 15 4.615 2.141 -10.862 134 HZ1 LYS 15 3HZ LYS 15 4.534 -0.421 -9.397 135 HZ2 LYS 15 1HZ LYS 15 5.634 -0.176 -10.659 136 HZ3 LYS 15 2HZ LYS 15 3.972 -0.073 -10.953 137 H GLY 16 H GLY 16 5.979 5.005 -6.949 138 HA2 GLY 16 2HA GLY 16 6.977 7.604 -5.954 139 HA3 GLY 16 3HA GLY 16 5.389 6.975 -5.540 140 H GLY 17 H GLY 17 5.215 5.950 -3.659 141 HA2 GLY 17 2HA GLY 17 5.882 4.317 -2.064 142 HA3 GLY 17 3HA GLY 17 7.543 4.507 -2.603 Start of MODEL 5 1 H21 PTL 1 HA2 MET 1 1.489 -0.673 0.859 2 H22 PTL 1 HA3 MET 1 1.380 0.027 -0.783 3 H31 PTL 1 2HB MET 1 3.736 0.861 -0.460 4 H32 PTL 1 3HB MET 1 2.525 1.625 0.561 5 H41 PTL 1 2HG MET 1 3.197 0.038 2.380 6 H42 PTL 1 3HG MET 1 4.536 -0.464 1.348 7 H51 PTL 1 2 MET 1 5.143 2.022 1.255 8 H52 PTL 1 3 MET 1 4.046 2.194 2.646 9 H53 PTL 1 H1 MET 1 5.469 1.134 2.763 10 H VAL 2 H VAL 2 3.573 -0.451 -2.050 11 HA VAL 2 HA VAL 2 3.707 -3.346 -2.215 12 HB VAL 2 HB VAL 2 4.953 -1.215 -3.957 13 HG11 VAL 2 1HG1 VAL 2 4.936 -3.445 -5.475 14 HG12 VAL 2 2HG1 VAL 2 6.325 -2.910 -4.528 15 HG13 VAL 2 3HG1 VAL 2 5.241 -4.145 -3.886 16 HG21 VAL 2 3HG2 VAL 2 2.404 -1.520 -3.891 17 HG22 VAL 2 1HG2 VAL 2 3.200 -1.544 -5.464 18 HG23 VAL 2 2HG2 VAL 2 2.704 -3.056 -4.703 19 H ALA 3 H ALA 3 5.509 -0.802 -0.842 20 HA ALA 3 HA ALA 3 8.138 -1.564 -1.037 21 HB1 ALA 3 3HB ALA 3 6.590 0.097 0.697 22 HB2 ALA 3 1HB ALA 3 7.761 -0.813 1.653 23 HB3 ALA 3 2HB ALA 3 8.308 0.191 0.310 24 H ARG 4 H ARG 4 5.769 -2.723 1.357 25 HA ARG 4 HA ARG 4 7.376 -4.414 2.820 26 HB2 ARG 4 2HB ARG 4 5.299 -5.735 3.257 27 HB3 ARG 4 3HB ARG 4 5.113 -4.004 3.505 28 HG2 ARG 4 2HG ARG 4 4.209 -3.972 1.097 29 HG3 ARG 4 3HG ARG 4 4.037 -5.716 1.301 30 HD2 ARG 4 2HD ARG 4 2.952 -3.878 3.387 31 HD3 ARG 4 3HD ARG 4 2.058 -4.105 1.884 32 HE ARG 4 HE ARG 4 2.329 -5.981 4.034 33 HH11 ARG 4 1HH1 ARG 4 1.784 -5.633 0.613 34 HH12 ARG 4 2HH1 ARG 4 0.951 -7.145 0.460 35 HH21 ARG 4 2HH2 ARG 4 0.638 -8.475 2.299 36 HH22 ARG 4 1HH2 ARG 4 1.235 -7.974 3.845 37 H GLY 5 H GLY 5 6.051 -4.876 -0.381 38 HA2 GLY 5 2HA GLY 5 7.075 -7.632 -0.437 39 HA3 GLY 5 3HA GLY 5 5.946 -6.937 -1.591 40 H TRP 6 H TRP 6 7.981 -4.516 -1.339 41 HA TRP 6 HA TRP 6 9.867 -5.597 -3.328 42 HB2 TRP 6 2HB TRP 6 8.368 -4.159 -4.505 43 HB3 TRP 6 3HB TRP 6 8.473 -2.920 -3.256 44 HD1 TRP 6 HD1 TRP 6 9.469 -0.962 -4.640 45 HE1 TRP 6 HE1 TRP 6 11.672 -0.599 -5.923 46 HE3 TRP 6 HE3 TRP 6 11.262 -5.750 -4.548 47 HZ2 TRP 6 HZ2 TRP 6 13.877 -2.138 -6.782 48 HZ3 TRP 6 HZ3 TRP 6 13.424 -6.220 -5.623 49 HH2 TRP 6 HH2 TRP 6 14.702 -4.450 -6.717 50 H LYS 7 H LYS 7 9.672 -2.441 -1.723 51 HA LYS 7 HA LYS 7 12.431 -2.833 -0.794 52 HB2 LYS 7 2HB LYS 7 10.805 -0.396 -1.450 53 HB3 LYS 7 3HB LYS 7 12.222 -0.268 -0.417 54 HG2 LYS 7 2HG LYS 7 12.133 -1.238 -3.264 55 HG3 LYS 7 3HG LYS 7 12.848 0.261 -2.664 56 HD2 LYS 7 2HD LYS 7 14.361 -1.212 -1.246 57 HD3 LYS 7 3HD LYS 7 13.789 -2.564 -2.227 58 HE2 LYS 7 2HE LYS 7 14.455 -0.877 -4.185 59 HE3 LYS 7 3HE LYS 7 15.569 -0.305 -2.943 60 HZ1 LYS 7 3HZ LYS 7 15.386 -3.026 -4.101 61 HZ2 LYS 7 1HZ LYS 7 16.257 -2.691 -2.688 62 HZ3 LYS 7 2HZ LYS 7 16.700 -1.961 -4.148 63 H ARG 8 H ARG 8 12.738 -3.278 1.278 64 HA ARG 8 HA ARG 8 10.603 -3.091 3.182 65 HB2 ARG 8 2HB ARG 8 12.155 -4.085 4.750 66 HB3 ARG 8 3HB ARG 8 12.268 -4.926 3.208 67 HG2 ARG 8 2HG ARG 8 14.186 -2.978 2.973 68 HG3 ARG 8 3HG ARG 8 14.285 -3.428 4.677 69 HD2 ARG 8 2HD ARG 8 14.590 -5.747 4.091 70 HD3 ARG 8 3HD ARG 8 14.337 -5.385 2.385 71 HE ARG 8 HE ARG 8 16.463 -3.823 3.196 72 HH11 ARG 8 1HH1 ARG 8 15.716 -7.219 3.017 73 HH12 ARG 8 2HH1 ARG 8 17.362 -7.701 2.774 74 HH21 ARG 8 2HH2 ARG 8 19.021 -6.123 2.695 75 HH22 ARG 8 1HH2 ARG 8 18.634 -4.446 2.876 76 H LYS 9 H LYS 9 12.667 -0.831 1.969 77 HA LYS 9 HA LYS 9 13.306 0.586 4.388 78 HB2 LYS 9 2HB LYS 9 13.516 1.297 1.465 79 HB3 LYS 9 3HB LYS 9 13.963 2.414 2.748 80 HG2 LYS 9 2HG LYS 9 15.186 -0.297 2.275 81 HG3 LYS 9 3HG LYS 9 15.906 1.255 1.841 82 HD2 LYS 9 2HD LYS 9 15.592 1.813 4.359 83 HD3 LYS 9 3HD LYS 9 15.459 0.064 4.553 84 HE2 LYS 9 2HE LYS 9 17.644 -0.299 4.005 85 HE3 LYS 9 3HE LYS 9 17.729 1.111 2.951 86 HZ1 LYS 9 3HZ LYS 9 18.590 0.891 5.593 87 HZ2 LYS 9 1HZ LYS 9 17.287 1.971 5.586 88 HZ3 LYS 9 2HZ LYS 9 18.629 2.259 4.597 89 H CYS 10 H CYS 10 12.194 2.677 1.968 90 HA CYS 10 HA CYS 10 9.676 3.135 3.428 91 HB2 CYS 10 2HB CYS 10 11.891 4.959 2.878 92 HB3 CYS 10 3HB CYS 10 10.340 5.590 2.339 93 HG CYS 10 HG CYS 10 10.756 6.685 4.822 94 HA PRO 11 HA PRO 11 8.793 4.553 -1.073 95 HB2 PRO 11 2HB PRO 11 10.855 4.598 -2.839 96 HB3 PRO 11 3HB PRO 11 10.447 5.971 -1.804 97 HG2 PRO 11 2HG PRO 11 12.571 3.892 -1.444 98 HG3 PRO 11 3HG PRO 11 12.666 5.644 -1.189 99 HD2 PRO 11 2HD PRO 11 12.352 3.890 0.850 100 HD3 PRO 11 3HD PRO 11 11.659 5.524 0.881 101 H LEU 12 H LEU 12 9.035 3.526 -3.430 102 HA LEU 12 HA LEU 12 9.275 0.617 -3.034 103 HB2 LEU 12 2HB LEU 12 7.372 2.283 -4.630 104 HB3 LEU 12 3HB LEU 12 7.703 0.618 -5.107 105 HG LEU 12 HG LEU 12 6.586 -0.263 -3.309 106 HD11 LEU 12 1HD1 LEU 12 7.845 0.764 -1.550 107 HD12 LEU 12 2HD1 LEU 12 6.129 1.001 -1.218 108 HD13 LEU 12 3HD1 LEU 12 7.094 2.329 -1.861 109 HD21 LEU 12 3HD2 LEU 12 4.883 0.765 -4.556 110 HD22 LEU 12 1HD2 LEU 12 5.298 2.372 -3.958 111 HD23 LEU 12 2HD2 LEU 12 4.545 1.197 -2.879 112 H PHE 13 H PHE 13 8.685 1.785 -6.194 113 HA PHE 13 HA PHE 13 11.399 1.001 -6.981 114 HB2 PHE 13 2HB PHE 13 8.883 1.289 -8.635 115 HB3 PHE 13 3HB PHE 13 10.451 0.788 -9.261 116 HD1 PHE 13 HD1 PHE 13 7.630 -0.173 -7.107 117 HD2 PHE 13 HD2 PHE 13 11.257 -1.429 -8.948 118 HE1 PHE 13 HE1 PHE 13 7.093 -2.512 -6.563 119 HE2 PHE 13 HE2 PHE 13 10.724 -3.770 -8.409 120 HZ PHE 13 HZ PHE 13 8.640 -4.313 -7.216 121 H GLY 14 H GLY 14 9.847 2.701 -9.407 122 HA2 GLY 14 2HA GLY 14 11.276 5.187 -8.686 123 HA3 GLY 14 3HA GLY 14 11.294 4.529 -10.316 124 H LYS 15 H LYS 15 8.335 4.187 -8.649 125 HA LYS 15 HA LYS 15 7.187 6.350 -10.278 126 HB2 LYS 15 2HB LYS 15 5.451 4.312 -8.980 127 HB3 LYS 15 3HB LYS 15 5.276 5.109 -10.539 128 HG2 LYS 15 2HG LYS 15 5.855 3.095 -11.336 129 HG3 LYS 15 3HG LYS 15 7.495 3.655 -10.999 130 HD2 LYS 15 2HD LYS 15 7.447 1.559 -9.998 131 HD3 LYS 15 3HD LYS 15 7.101 2.644 -8.649 132 HE2 LYS 15 2HE LYS 15 4.689 1.857 -10.044 133 HE3 LYS 15 3HE LYS 15 5.592 0.457 -9.466 134 HZ1 LYS 15 3HZ LYS 15 4.300 0.968 -7.659 135 HZ2 LYS 15 1HZ LYS 15 4.363 2.638 -7.925 136 HZ3 LYS 15 2HZ LYS 15 5.705 1.833 -7.286 137 H GLY 16 H GLY 16 6.110 4.716 -7.301 138 HA2 GLY 16 2HA GLY 16 5.815 7.391 -6.078 139 HA3 GLY 16 3HA GLY 16 4.623 6.117 -5.868 140 H GLY 17 H GLY 17 4.761 4.960 -4.063 141 HA2 GLY 17 2HA GLY 17 5.781 3.734 -2.361 142 HA3 GLY 17 3HA GLY 17 7.345 4.316 -2.911 Start of MODEL 6 1 H21 PTL 1 HA2 MET 1 2.230 0.952 -1.797 2 H22 PTL 1 HA3 MET 1 3.671 1.363 -0.823 3 H31 PTL 1 2HB MET 1 1.076 1.168 0.112 4 H32 PTL 1 3HB MET 1 1.787 -0.372 0.578 5 H41 PTL 1 2HG MET 1 2.865 2.353 1.259 6 H42 PTL 1 3HG MET 1 2.001 1.272 2.349 7 H51 PTL 1 2 MET 1 3.937 0.376 2.931 8 H52 PTL 1 3 MET 1 4.122 -0.219 1.265 9 H53 PTL 1 H1 MET 1 4.787 1.368 1.724 10 H VAL 2 H VAL 2 3.595 -0.342 -3.161 11 HA VAL 2 HA VAL 2 3.604 -3.073 -2.554 12 HB VAL 2 HB VAL 2 5.213 -1.599 -4.645 13 HG11 VAL 2 1HG1 VAL 2 4.851 -4.496 -4.051 14 HG12 VAL 2 2HG1 VAL 2 4.981 -3.978 -5.732 15 HG13 VAL 2 3HG1 VAL 2 6.285 -3.627 -4.597 16 HG21 VAL 2 3HG2 VAL 2 3.024 -3.136 -5.660 17 HG22 VAL 2 1HG2 VAL 2 2.442 -2.040 -4.406 18 HG23 VAL 2 2HG2 VAL 2 3.322 -1.403 -5.796 19 H ALA 3 H ALA 3 5.807 -0.615 -1.689 20 HA ALA 3 HA ALA 3 8.260 -1.857 -1.580 21 HB1 ALA 3 3HB ALA 3 8.775 0.094 -0.660 22 HB2 ALA 3 1HB ALA 3 7.063 0.447 -0.427 23 HB3 ALA 3 2HB ALA 3 7.970 -0.394 0.832 24 H ARG 4 H ARG 4 5.454 -2.408 0.409 25 HA ARG 4 HA ARG 4 6.438 -3.568 2.672 26 HB2 ARG 4 2HB ARG 4 4.051 -4.235 0.980 27 HB3 ARG 4 3HB ARG 4 4.414 -5.181 2.416 28 HG2 ARG 4 2HG ARG 4 3.835 -3.514 3.833 29 HG3 ARG 4 3HG ARG 4 4.367 -2.243 2.730 30 HD2 ARG 4 2HD ARG 4 2.198 -1.903 2.321 31 HD3 ARG 4 3HD ARG 4 2.269 -3.391 1.379 32 HE ARG 4 HE ARG 4 1.748 -3.789 4.184 33 HH11 ARG 4 1HH1 ARG 4 0.355 -3.202 1.049 34 HH12 ARG 4 2HH1 ARG 4 -1.193 -3.857 1.470 35 HH21 ARG 4 2HH2 ARG 4 -1.557 -4.682 3.575 36 HH22 ARG 4 1HH2 ARG 4 -0.285 -4.654 4.751 37 H GLY 5 H GLY 5 6.179 -5.047 -0.532 38 HA2 GLY 5 2HA GLY 5 7.814 -7.293 0.482 39 HA3 GLY 5 3HA GLY 5 6.571 -7.492 -0.743 40 H TRP 6 H TRP 6 8.300 -4.595 -1.059 41 HA TRP 6 HA TRP 6 10.024 -5.808 -3.118 42 HB2 TRP 6 2HB TRP 6 8.349 -4.584 -4.283 43 HB3 TRP 6 3HB TRP 6 8.476 -3.220 -3.177 44 HD1 TRP 6 HD1 TRP 6 9.196 -1.357 -4.840 45 HE1 TRP 6 HE1 TRP 6 11.245 -0.990 -6.353 46 HE3 TRP 6 HE3 TRP 6 11.340 -5.982 -4.441 47 HZ2 TRP 6 HZ2 TRP 6 13.475 -2.465 -7.259 48 HZ3 TRP 6 HZ3 TRP 6 13.430 -6.422 -5.664 49 HH2 TRP 6 HH2 TRP 6 14.474 -4.698 -7.043 50 H LYS 7 H LYS 7 9.652 -2.979 -0.992 51 HA LYS 7 HA LYS 7 12.587 -2.903 -0.744 52 HB2 LYS 7 2HB LYS 7 10.638 -0.600 -0.866 53 HB3 LYS 7 3HB LYS 7 12.308 -0.425 -0.347 54 HG2 LYS 7 2HG LYS 7 11.330 -1.289 -3.057 55 HG3 LYS 7 3HG LYS 7 12.142 0.222 -2.642 56 HD2 LYS 7 2HD LYS 7 13.324 -2.551 -2.516 57 HD3 LYS 7 3HD LYS 7 13.708 -1.297 -3.697 58 HE2 LYS 7 2HE LYS 7 14.218 0.061 -1.454 59 HE3 LYS 7 3HE LYS 7 14.535 -1.569 -0.864 60 HZ1 LYS 7 3HZ LYS 7 15.724 -0.747 -3.415 61 HZ2 LYS 7 1HZ LYS 7 16.311 -1.825 -2.251 62 HZ3 LYS 7 2HZ LYS 7 16.408 -0.159 -1.984 63 H ARG 8 H ARG 8 13.294 -3.265 1.247 64 HA ARG 8 HA ARG 8 11.504 -3.530 3.448 65 HB2 ARG 8 2HB ARG 8 13.585 -3.932 4.764 66 HB3 ARG 8 3HB ARG 8 13.434 -4.957 3.344 67 HG2 ARG 8 2HG ARG 8 14.838 -2.645 2.547 68 HG3 ARG 8 3HG ARG 8 15.548 -3.194 4.066 69 HD2 ARG 8 2HD ARG 8 15.350 -5.549 2.843 70 HD3 ARG 8 3HD ARG 8 15.451 -4.522 1.414 71 HE ARG 8 HE ARG 8 17.652 -4.094 1.907 72 HH11 ARG 8 1HH1 ARG 8 16.118 -5.605 4.642 73 HH12 ARG 8 2HH1 ARG 8 17.600 -5.850 5.504 74 HH21 ARG 8 2HH2 ARG 8 19.586 -5.169 4.589 75 HH22 ARG 8 1HH2 ARG 8 19.611 -4.411 3.032 76 H LYS 9 H LYS 9 12.851 -0.848 2.032 77 HA LYS 9 HA LYS 9 13.243 0.672 4.476 78 HB2 LYS 9 2HB LYS 9 13.445 1.434 1.559 79 HB3 LYS 9 3HB LYS 9 13.739 2.550 2.887 80 HG2 LYS 9 2HG LYS 9 15.735 1.607 3.427 81 HG3 LYS 9 3HG LYS 9 15.252 0.001 2.877 82 HD2 LYS 9 2HD LYS 9 15.491 0.680 0.567 83 HD3 LYS 9 3HD LYS 9 15.854 2.335 1.062 84 HE2 LYS 9 2HE LYS 9 17.733 1.028 2.459 85 HE3 LYS 9 3HE LYS 9 17.555 -0.085 1.104 86 HZ1 LYS 9 3HZ LYS 9 18.524 2.682 1.117 87 HZ2 LYS 9 1HZ LYS 9 17.745 2.107 -0.270 88 HZ3 LYS 9 2HZ LYS 9 19.135 1.333 0.302 89 H CYS 10 H CYS 10 11.988 2.615 2.051 90 HA CYS 10 HA CYS 10 9.312 2.584 3.283 91 HB2 CYS 10 2HB CYS 10 11.231 4.766 2.988 92 HB3 CYS 10 3HB CYS 10 9.651 5.159 2.324 93 HG CYS 10 HG CYS 10 9.035 3.791 5.174 94 HA PRO 11 HA PRO 11 8.591 4.028 -1.241 95 HB2 PRO 11 2HB PRO 11 10.759 4.476 -2.812 96 HB3 PRO 11 3HB PRO 11 10.045 5.722 -1.780 97 HG2 PRO 11 2HG PRO 11 12.443 3.998 -1.288 98 HG3 PRO 11 3HG PRO 11 12.228 5.732 -0.977 99 HD2 PRO 11 2HD PRO 11 12.035 3.867 0.976 100 HD3 PRO 11 3HD PRO 11 11.083 5.365 0.989 101 H LEU 12 H LEU 12 8.258 2.764 -3.073 102 HA LEU 12 HA LEU 12 9.365 0.082 -2.921 103 HB2 LEU 12 2HB LEU 12 7.716 -0.101 -4.992 104 HB3 LEU 12 3HB LEU 12 7.153 -0.172 -3.322 105 HG LEU 12 HG LEU 12 7.209 2.480 -4.668 106 HD11 LEU 12 1HD1 LEU 12 5.964 1.776 -6.375 107 HD12 LEU 12 2HD1 LEU 12 4.676 1.539 -5.195 108 HD13 LEU 12 3HD1 LEU 12 5.714 0.188 -5.649 109 HD21 LEU 12 3HD2 LEU 12 5.220 1.174 -2.816 110 HD22 LEU 12 1HD2 LEU 12 5.290 2.877 -3.275 111 HD23 LEU 12 2HD2 LEU 12 6.573 2.175 -2.289 112 H PHE 13 H PHE 13 8.429 1.424 -5.988 113 HA PHE 13 HA PHE 13 11.130 0.907 -6.994 114 HB2 PHE 13 2HB PHE 13 8.602 1.395 -8.579 115 HB3 PHE 13 3HB PHE 13 10.138 0.791 -9.195 116 HD1 PHE 13 HD1 PHE 13 7.294 -0.027 -6.975 117 HD2 PHE 13 HD2 PHE 13 10.636 -1.499 -9.161 118 HE1 PHE 13 HE1 PHE 13 6.541 -2.333 -6.566 119 HE2 PHE 13 HE2 PHE 13 9.888 -3.807 -8.755 120 HZ PHE 13 HZ PHE 13 7.838 -4.227 -7.457 121 H GLY 14 H GLY 14 9.555 2.778 -9.199 122 HA2 GLY 14 2HA GLY 14 10.800 5.251 -8.162 123 HA3 GLY 14 3HA GLY 14 10.886 4.782 -9.854 124 H LYS 15 H LYS 15 7.905 3.893 -8.741 125 HA LYS 15 HA LYS 15 6.626 6.065 -10.144 126 HB2 LYS 15 2HB LYS 15 5.170 3.941 -8.597 127 HB3 LYS 15 3HB LYS 15 4.660 4.792 -10.050 128 HG2 LYS 15 2HG LYS 15 5.282 2.966 -11.151 129 HG3 LYS 15 3HG LYS 15 6.941 3.502 -10.870 130 HD2 LYS 15 2HD LYS 15 7.107 1.412 -9.988 131 HD3 LYS 15 3HD LYS 15 6.521 2.254 -8.552 132 HE2 LYS 15 2HE LYS 15 5.253 0.233 -8.841 133 HE3 LYS 15 3HE LYS 15 4.210 1.613 -9.181 134 HZ1 LYS 15 3HZ LYS 15 4.168 -0.375 -10.773 135 HZ2 LYS 15 1HZ LYS 15 5.632 0.233 -11.365 136 HZ3 LYS 15 2HZ LYS 15 4.231 1.179 -11.440 137 H GLY 16 H GLY 16 5.843 4.633 -6.971 138 HA2 GLY 16 2HA GLY 16 5.406 7.384 -5.978 139 HA3 GLY 16 3HA GLY 16 4.371 6.032 -5.537 140 H GLY 17 H GLY 17 4.783 5.066 -3.661 141 HA2 GLY 17 2HA GLY 17 5.960 4.247 -1.853 142 HA3 GLY 17 3HA GLY 17 7.448 4.624 -2.708 Start of MODEL 7 1 H21 PTL 1 HA2 MET 1 0.646 -0.407 -1.094 2 H22 PTL 1 HA3 MET 1 0.974 -0.190 -2.823 3 H31 PTL 1 2HB MET 1 3.085 0.999 -2.234 4 H32 PTL 1 3HB MET 1 1.632 1.829 -1.691 5 H41 PTL 1 2HG MET 1 2.415 0.149 0.416 6 H42 PTL 1 3HG MET 1 3.881 0.927 -0.176 7 H51 PTL 1 H3 MET 1 1.345 2.328 0.663 8 H52 PTL 1 H2 MET 1 2.827 3.115 0.067 9 H53 PTL 1 H1 MET 1 2.850 2.224 1.608 10 H VAL 2 H VAL 2 3.102 -0.989 -3.616 11 HA VAL 2 HA VAL 2 3.523 -3.678 -2.677 12 HB VAL 2 HB VAL 2 5.091 -2.223 -4.805 13 HG11 VAL 2 1HG1 VAL 2 6.265 -4.125 -4.732 14 HG12 VAL 2 2HG1 VAL 2 5.039 -4.950 -3.766 15 HG13 VAL 2 3HG1 VAL 2 4.869 -4.860 -5.520 16 HG21 VAL 2 3HG2 VAL 2 2.497 -3.743 -5.032 17 HG22 VAL 2 1HG2 VAL 2 2.772 -2.040 -5.395 18 HG23 VAL 2 2HG2 VAL 2 3.504 -3.285 -6.405 19 H ALA 3 H ALA 3 4.716 -0.726 -1.742 20 HA ALA 3 HA ALA 3 7.458 -1.170 -1.394 21 HB1 ALA 3 3HB ALA 3 5.763 0.907 -0.906 22 HB2 ALA 3 1HB ALA 3 6.184 0.393 0.728 23 HB3 ALA 3 2HB ALA 3 7.454 0.842 -0.411 24 H ARG 4 H ARG 4 4.783 -2.598 0.154 25 HA ARG 4 HA ARG 4 5.610 -3.082 2.731 26 HB2 ARG 4 2HB ARG 4 3.975 -4.644 0.777 27 HB3 ARG 4 3HB ARG 4 4.426 -5.399 2.300 28 HG2 ARG 4 2HG ARG 4 3.009 -2.754 2.093 29 HG3 ARG 4 3HG ARG 4 2.192 -4.303 2.304 30 HD2 ARG 4 2HD ARG 4 4.027 -4.425 4.288 31 HD3 ARG 4 3HD ARG 4 3.727 -2.688 4.228 32 HE ARG 4 HE ARG 4 1.916 -4.735 5.132 33 HH11 ARG 4 1HH1 ARG 4 2.202 -1.499 3.879 34 HH12 ARG 4 2HH1 ARG 4 0.688 -0.971 4.535 35 HH21 ARG 4 2HH2 ARG 4 -0.609 -2.424 5.742 36 HH22 ARG 4 1HH2 ARG 4 -0.080 -4.052 6.000 37 H GLY 5 H GLY 5 5.905 -5.638 0.273 38 HA2 GLY 5 2HA GLY 5 8.553 -6.280 1.423 39 HA3 GLY 5 3HA GLY 5 7.398 -7.515 0.942 40 H TRP 6 H TRP 6 8.889 -4.617 -0.512 41 HA TRP 6 HA TRP 6 9.428 -6.246 -2.909 42 HB2 TRP 6 2HB TRP 6 7.766 -4.659 -3.529 43 HB3 TRP 6 3HB TRP 6 8.595 -3.355 -2.682 44 HD1 TRP 6 HD1 TRP 6 9.125 -1.739 -4.633 45 HE1 TRP 6 HE1 TRP 6 10.478 -1.915 -6.814 46 HE3 TRP 6 HE3 TRP 6 10.000 -6.775 -4.641 47 HZ2 TRP 6 HZ2 TRP 6 11.747 -3.923 -8.339 48 HZ3 TRP 6 HZ3 TRP 6 11.291 -7.745 -6.497 49 HH2 TRP 6 HH2 TRP 6 12.145 -6.347 -8.307 50 H LYS 7 H LYS 7 10.460 -3.061 -1.680 51 HA LYS 7 HA LYS 7 13.246 -3.900 -2.141 52 HB2 LYS 7 2HB LYS 7 11.879 -1.243 -2.452 53 HB3 LYS 7 3HB LYS 7 13.619 -1.335 -2.216 54 HG2 LYS 7 2HG LYS 7 12.017 -2.491 -4.483 55 HG3 LYS 7 3HG LYS 7 13.200 -1.182 -4.551 56 HD2 LYS 7 2HD LYS 7 14.894 -2.888 -3.708 57 HD3 LYS 7 3HD LYS 7 13.679 -4.114 -4.078 58 HE2 LYS 7 2HE LYS 7 13.673 -3.500 -6.392 59 HE3 LYS 7 3HE LYS 7 14.695 -2.099 -6.075 60 HZ1 LYS 7 3HZ LYS 7 16.371 -3.442 -6.610 61 HZ2 LYS 7 1HZ LYS 7 15.431 -4.843 -6.476 62 HZ3 LYS 7 2HZ LYS 7 16.147 -4.170 -5.099 63 H ARG 8 H ARG 8 12.102 -1.048 -0.422 64 HA ARG 8 HA ARG 8 13.417 -2.077 2.004 65 HB2 ARG 8 2HB ARG 8 13.035 0.754 1.024 66 HB3 ARG 8 3HB ARG 8 13.621 0.353 2.633 67 HG2 ARG 8 2HG ARG 8 15.684 0.093 1.879 68 HG3 ARG 8 3HG ARG 8 15.144 -1.056 0.654 69 HD2 ARG 8 2HD ARG 8 15.889 0.535 -0.764 70 HD3 ARG 8 3HD ARG 8 14.299 1.236 -0.463 71 HE ARG 8 HE ARG 8 16.060 2.198 1.481 72 HH11 ARG 8 1HH1 ARG 8 15.540 2.413 -1.954 73 HH12 ARG 8 2HH1 ARG 8 16.223 3.998 -2.091 74 HH21 ARG 8 2HH2 ARG 8 17.032 5.063 -0.230 75 HH22 ARG 8 1HH2 ARG 8 16.962 4.286 1.315 76 H LYS 9 H LYS 9 11.732 0.797 2.468 77 HA LYS 9 HA LYS 9 9.424 -0.650 3.597 78 HB2 LYS 9 2HB LYS 9 9.500 1.585 5.112 79 HB3 LYS 9 3HB LYS 9 10.282 0.076 5.563 80 HG2 LYS 9 2HG LYS 9 12.385 0.862 5.080 81 HG3 LYS 9 3HG LYS 9 11.789 2.063 3.932 82 HD2 LYS 9 2HD LYS 9 12.594 3.155 5.945 83 HD3 LYS 9 3HD LYS 9 10.846 3.355 5.803 84 HE2 LYS 9 2HE LYS 9 10.461 2.235 7.700 85 HE3 LYS 9 3HE LYS 9 11.604 0.961 7.279 86 HZ1 LYS 9 3HZ LYS 9 12.962 1.802 8.792 87 HZ2 LYS 9 1HZ LYS 9 11.936 3.117 9.075 88 HZ3 LYS 9 2HZ LYS 9 13.111 3.208 7.861 89 H CYS 10 H CYS 10 10.099 2.816 3.295 90 HA CYS 10 HA CYS 10 7.486 3.403 2.382 91 HB2 CYS 10 2HB CYS 10 9.907 4.877 3.032 92 HB3 CYS 10 3HB CYS 10 9.083 5.561 1.636 93 HG CYS 10 HG CYS 10 7.497 6.960 3.075 94 HA PRO 11 HA PRO 11 9.449 4.121 -1.957 95 HB2 PRO 11 2HB PRO 11 12.063 3.471 -2.293 96 HB3 PRO 11 3HB PRO 11 11.533 5.068 -1.755 97 HG2 PRO 11 2HG PRO 11 12.564 2.770 -0.137 98 HG3 PRO 11 3HG PRO 11 12.945 4.497 0.002 99 HD2 PRO 11 2HD PRO 11 11.192 3.255 1.650 100 HD3 PRO 11 3HD PRO 11 11.016 4.957 1.176 101 H LEU 12 H LEU 12 9.080 2.669 -3.542 102 HA LEU 12 HA LEU 12 9.629 -0.163 -2.943 103 HB2 LEU 12 2HB LEU 12 7.756 -0.398 -4.792 104 HB3 LEU 12 3HB LEU 12 7.367 -0.183 -3.086 105 HG LEU 12 HG LEU 12 7.535 2.193 -4.898 106 HD11 LEU 12 1HD1 LEU 12 6.038 0.971 -6.171 107 HD12 LEU 12 2HD1 LEU 12 4.978 1.852 -5.073 108 HD13 LEU 12 3HD1 LEU 12 5.350 0.155 -4.767 109 HD21 LEU 12 3HD2 LEU 12 5.490 1.931 -2.800 110 HD22 LEU 12 1HD2 LEU 12 6.534 3.293 -3.208 111 HD23 LEU 12 2HD2 LEU 12 7.160 1.964 -2.231 112 H PHE 13 H PHE 13 8.529 1.014 -6.036 113 HA PHE 13 HA PHE 13 10.927 -0.075 -7.280 114 HB2 PHE 13 2HB PHE 13 8.350 0.947 -8.490 115 HB3 PHE 13 3HB PHE 13 9.673 0.225 -9.400 116 HD1 PHE 13 HD1 PHE 13 7.283 -0.487 -6.644 117 HD2 PHE 13 HD2 PHE 13 9.727 -2.064 -9.751 118 HE1 PHE 13 HE1 PHE 13 6.314 -2.716 -6.270 119 HE2 PHE 13 HE2 PHE 13 8.761 -4.297 -9.382 120 HZ PHE 13 HZ PHE 13 7.051 -4.626 -7.640 121 H GLY 14 H GLY 14 9.186 2.481 -8.845 122 HA2 GLY 14 2HA GLY 14 11.505 4.268 -8.444 123 HA3 GLY 14 3HA GLY 14 10.724 4.077 -10.006 124 H LYS 15 H LYS 15 8.103 3.914 -8.371 125 HA LYS 15 HA LYS 15 7.346 6.613 -8.761 126 HB2 LYS 15 2HB LYS 15 5.252 5.888 -7.512 127 HB3 LYS 15 3HB LYS 15 5.638 4.995 -8.978 128 HG2 LYS 15 2HG LYS 15 6.786 3.837 -6.555 129 HG3 LYS 15 3HG LYS 15 5.022 3.886 -6.566 130 HD2 LYS 15 2HD LYS 15 6.123 3.013 -9.110 131 HD3 LYS 15 3HD LYS 15 6.620 1.975 -7.771 132 HE2 LYS 15 2HE LYS 15 4.548 1.157 -7.479 133 HE3 LYS 15 3HE LYS 15 3.788 2.726 -7.735 134 HZ1 LYS 15 3HZ LYS 15 4.814 0.945 -9.880 135 HZ2 LYS 15 1HZ LYS 15 4.052 2.438 -10.112 136 HZ3 LYS 15 2HZ LYS 15 3.186 1.140 -9.461 137 H GLY 16 H GLY 16 5.864 5.906 -5.930 138 HA2 GLY 16 2HA GLY 16 7.852 7.426 -4.356 139 HA3 GLY 16 3HA GLY 16 6.123 7.725 -4.247 140 H GLY 17 H GLY 17 4.868 6.464 -2.938 141 HA2 GLY 17 2HA GLY 17 4.945 4.017 -2.000 142 HA3 GLY 17 3HA GLY 17 6.343 4.666 -1.156 Start of MODEL 8 1 H21 PTL 1 H1 MET 1 1.957 -1.590 1.571 2 H22 PTL 1 HA MET 1 1.111 -1.407 0.045 3 H31 PTL 1 2HB MET 1 3.639 0.088 0.760 4 H32 PTL 1 3HB MET 1 2.694 0.287 -0.709 5 H41 PTL 1 2HG MET 1 1.240 1.656 0.274 6 H42 PTL 1 3HG MET 1 1.130 0.650 1.716 7 H51 PTL 1 H3 MET 1 3.216 1.601 2.550 8 H52 PTL 1 H2 MET 1 1.995 2.861 2.246 9 H53 PTL 1 H4 MET 1 3.328 2.617 1.093 10 H VAL 2 H VAL 2 2.880 -1.377 -1.892 11 HA VAL 2 HA VAL 2 3.746 -4.047 -2.122 12 HB VAL 2 HB VAL 2 4.473 -1.619 -3.765 13 HG11 VAL 2 1HG1 VAL 2 5.341 -4.439 -3.929 14 HG12 VAL 2 2HG1 VAL 2 4.878 -3.666 -5.446 15 HG13 VAL 2 3HG1 VAL 2 6.158 -2.967 -4.453 16 HG21 VAL 2 3HG2 VAL 2 2.099 -2.184 -3.800 17 HG22 VAL 2 1HG2 VAL 2 2.850 -2.527 -5.359 18 HG23 VAL 2 2HG2 VAL 2 2.491 -3.845 -4.244 19 H ALA 3 H ALA 3 5.256 -1.237 -0.823 20 HA ALA 3 HA ALA 3 7.956 -1.782 -1.166 21 HB1 ALA 3 3HB ALA 3 8.371 -0.324 0.665 22 HB2 ALA 3 1HB ALA 3 6.948 0.291 -0.176 23 HB3 ALA 3 2HB ALA 3 6.764 -0.604 1.333 24 H ARG 4 H ARG 4 5.701 -3.010 1.266 25 HA ARG 4 HA ARG 4 7.600 -4.358 2.853 26 HB2 ARG 4 2HB ARG 4 5.405 -3.923 3.732 27 HB3 ARG 4 3HB ARG 4 4.649 -4.837 2.432 28 HG2 ARG 4 2HG ARG 4 6.588 -6.273 4.147 29 HG3 ARG 4 3HG ARG 4 5.030 -5.843 4.856 30 HD2 ARG 4 2HD ARG 4 4.545 -6.881 2.264 31 HD3 ARG 4 3HD ARG 4 5.657 -7.979 3.081 32 HE ARG 4 HE ARG 4 2.891 -7.555 3.691 33 HH11 ARG 4 1HH1 ARG 4 5.974 -8.489 5.009 34 HH12 ARG 4 2HH1 ARG 4 5.289 -9.420 6.298 35 HH21 ARG 4 2HH2 ARG 4 3.014 -9.584 6.512 36 HH22 ARG 4 1HH2 ARG 4 1.976 -8.778 5.385 37 H GLY 5 H GLY 5 6.436 -5.007 -0.267 38 HA2 GLY 5 2HA GLY 5 7.418 -7.789 -0.084 39 HA3 GLY 5 3HA GLY 5 6.113 -7.298 -1.153 40 H TRP 6 H TRP 6 8.317 -4.844 -1.136 41 HA TRP 6 HA TRP 6 9.735 -5.953 -3.470 42 HB2 TRP 6 2HB TRP 6 8.213 -4.310 -4.293 43 HB3 TRP 6 3HB TRP 6 8.644 -3.176 -3.015 44 HD1 TRP 6 HD1 TRP 6 9.444 -1.251 -4.623 45 HE1 TRP 6 HE1 TRP 6 11.482 -0.979 -6.170 46 HE3 TRP 6 HE3 TRP 6 11.084 -6.094 -4.664 47 HZ2 TRP 6 HZ2 TRP 6 13.516 -2.603 -7.264 48 HZ3 TRP 6 HZ3 TRP 6 13.083 -6.651 -5.986 49 HH2 TRP 6 HH2 TRP 6 14.273 -4.939 -7.259 50 H LYS 7 H LYS 7 10.110 -2.935 -1.638 51 HA LYS 7 HA LYS 7 12.912 -3.698 -1.137 52 HB2 LYS 7 2HB LYS 7 11.637 -1.005 -1.596 53 HB3 LYS 7 3HB LYS 7 13.245 -1.174 -0.906 54 HG2 LYS 7 2HG LYS 7 12.338 -2.076 -3.630 55 HG3 LYS 7 3HG LYS 7 13.440 -0.751 -3.254 56 HD2 LYS 7 2HD LYS 7 14.955 -2.459 -2.190 57 HD3 LYS 7 3HD LYS 7 13.904 -3.704 -2.871 58 HE2 LYS 7 2HE LYS 7 15.110 -3.591 -4.737 59 HE3 LYS 7 3HE LYS 7 14.461 -1.971 -4.988 60 HZ1 LYS 7 3HZ LYS 7 16.884 -2.518 -3.370 61 HZ2 LYS 7 1HZ LYS 7 16.320 -1.016 -3.908 62 HZ3 LYS 7 2HZ LYS 7 16.934 -2.134 -5.017 63 H ARG 8 H ARG 8 11.391 -0.934 0.331 64 HA ARG 8 HA ARG 8 11.412 -2.331 2.927 65 HB2 ARG 8 2HB ARG 8 12.301 0.468 2.241 66 HB3 ARG 8 3HB ARG 8 11.941 -0.030 3.889 67 HG2 ARG 8 2HG ARG 8 13.831 -1.249 4.082 68 HG3 ARG 8 3HG ARG 8 13.817 -1.741 2.387 69 HD2 ARG 8 2HD ARG 8 15.234 -0.116 1.837 70 HD3 ARG 8 3HD ARG 8 14.222 1.099 2.616 71 HE ARG 8 HE ARG 8 15.623 -0.300 4.597 72 HH11 ARG 8 1HH1 ARG 8 16.217 1.925 1.985 73 HH12 ARG 8 2HH1 ARG 8 17.616 2.626 2.727 74 HH21 ARG 8 2HH2 ARG 8 18.327 1.879 4.773 75 HH22 ARG 8 1HH2 ARG 8 17.465 0.615 5.584 76 H LYS 9 H LYS 9 10.513 0.950 2.937 77 HA LYS 9 HA LYS 9 7.655 0.239 2.912 78 HB2 LYS 9 2HB LYS 9 9.112 2.036 4.855 79 HB3 LYS 9 3HB LYS 9 7.360 1.968 4.717 80 HG2 LYS 9 2HG LYS 9 7.281 0.214 6.059 81 HG3 LYS 9 3HG LYS 9 8.387 -0.682 5.015 82 HD2 LYS 9 2HD LYS 9 9.505 -0.617 7.057 83 HD3 LYS 9 3HD LYS 9 10.238 0.708 6.151 84 HE2 LYS 9 2HE LYS 9 9.221 2.321 7.428 85 HE3 LYS 9 3HE LYS 9 7.864 1.281 7.855 86 HZ1 LYS 9 3HZ LYS 9 10.164 1.800 9.345 87 HZ2 LYS 9 1HZ LYS 9 10.219 0.168 8.898 88 HZ3 LYS 9 2HZ LYS 9 8.879 0.771 9.737 89 H CYS 10 H CYS 10 9.697 3.162 3.096 90 HA CYS 10 HA CYS 10 7.859 4.715 1.568 91 HB2 CYS 10 2HB CYS 10 10.436 5.136 2.913 92 HB3 CYS 10 3HB CYS 10 10.224 6.104 1.459 93 HG CYS 10 HG CYS 10 9.461 7.220 4.156 94 HA PRO 11 HA PRO 11 11.157 4.335 -1.935 95 HB2 PRO 11 2HB PRO 11 13.175 2.555 -1.567 96 HB3 PRO 11 3HB PRO 11 13.276 4.243 -1.052 97 HG2 PRO 11 2HG PRO 11 12.640 1.803 0.563 98 HG3 PRO 11 3HG PRO 11 13.686 3.175 0.973 99 HD2 PRO 11 2HD PRO 11 11.160 2.937 1.918 100 HD3 PRO 11 3HD PRO 11 11.910 4.511 1.583 101 H LEU 12 H LEU 12 10.227 3.267 -3.554 102 HA LEU 12 HA LEU 12 9.757 0.373 -3.251 103 HB2 LEU 12 2HB LEU 12 7.715 1.882 -3.210 104 HB3 LEU 12 3HB LEU 12 8.062 2.228 -4.903 105 HG LEU 12 HG LEU 12 7.884 -0.279 -5.295 106 HD11 LEU 12 1HD1 LEU 12 7.443 -1.669 -3.622 107 HD12 LEU 12 2HD1 LEU 12 6.093 -0.676 -3.071 108 HD13 LEU 12 3HD1 LEU 12 7.729 -0.325 -2.515 109 HD21 LEU 12 3HD2 LEU 12 5.228 0.568 -4.373 110 HD22 LEU 12 1HD2 LEU 12 5.770 0.060 -5.973 111 HD23 LEU 12 2HD2 LEU 12 6.050 1.715 -5.433 112 H PHE 13 H PHE 13 8.662 1.292 -6.197 113 HA PHE 13 HA PHE 13 11.086 0.325 -7.503 114 HB2 PHE 13 2HB PHE 13 8.252 0.698 -8.479 115 HB3 PHE 13 3HB PHE 13 9.579 0.214 -9.532 116 HD1 PHE 13 HD1 PHE 13 7.182 -0.848 -7.061 117 HD2 PHE 13 HD2 PHE 13 10.741 -1.949 -9.119 118 HE1 PHE 13 HE1 PHE 13 6.818 -3.197 -6.426 119 HE2 PHE 13 HE2 PHE 13 10.383 -4.301 -8.489 120 HZ PHE 13 HZ PHE 13 8.418 -4.927 -7.141 121 H GLY 14 H GLY 14 8.765 2.435 -9.062 122 HA2 GLY 14 2HA GLY 14 10.883 4.482 -9.312 123 HA3 GLY 14 3HA GLY 14 9.863 4.013 -10.664 124 H LYS 15 H LYS 15 7.967 3.916 -7.972 125 HA LYS 15 HA LYS 15 6.758 6.480 -8.641 126 HB2 LYS 15 2HB LYS 15 5.734 4.442 -6.667 127 HB3 LYS 15 3HB LYS 15 4.827 5.724 -7.462 128 HG2 LYS 15 2HG LYS 15 4.156 3.973 -8.731 129 HG3 LYS 15 3HG LYS 15 5.607 4.418 -9.632 130 HD2 LYS 15 2HD LYS 15 6.792 2.601 -8.885 131 HD3 LYS 15 3HD LYS 15 5.868 2.479 -7.385 132 HE2 LYS 15 2HE LYS 15 5.061 0.661 -8.520 133 HE3 LYS 15 3HE LYS 15 3.902 1.890 -9.025 134 HZ1 LYS 15 3HZ LYS 15 5.949 0.526 -10.571 135 HZ2 LYS 15 1HZ LYS 15 5.753 2.173 -10.904 136 HZ3 LYS 15 2HZ LYS 15 4.439 1.118 -11.054 137 H GLY 16 H GLY 16 5.717 5.931 -5.636 138 HA2 GLY 16 2HA GLY 16 7.855 7.566 -4.413 139 HA3 GLY 16 3HA GLY 16 6.148 7.850 -4.108 140 H GLY 17 H GLY 17 5.454 5.041 -3.922 141 HA2 GLY 17 2HA GLY 17 5.199 3.483 -2.252 142 HA3 GLY 17 3HA GLY 17 6.948 3.572 -2.112 Start of MODEL 9 1 H21 PTL 1 H1 MET 1 2.201 -0.343 1.140 2 H22 PTL 1 HA MET 1 1.608 0.035 -0.467 3 H31 PTL 1 2HB MET 1 4.423 0.625 0.466 4 H32 PTL 1 3HB MET 1 3.724 1.069 -1.085 5 H41 PTL 1 2HG MET 1 2.743 2.887 -0.253 6 H42 PTL 1 3HG MET 1 2.186 2.039 1.188 7 H51 PTL 1 H3 MET 1 4.426 2.287 2.211 8 H52 PTL 1 H2 MET 1 3.733 3.869 1.783 9 H53 PTL 1 H4 MET 1 4.990 3.142 0.755 10 H VAL 2 H VAL 2 3.647 -0.573 -2.131 11 HA VAL 2 HA VAL 2 3.677 -3.474 -1.995 12 HB VAL 2 HB VAL 2 4.704 -1.633 -4.160 13 HG11 VAL 2 1HG1 VAL 2 5.797 -3.545 -4.701 14 HG12 VAL 2 2HG1 VAL 2 4.658 -4.574 -3.831 15 HG13 VAL 2 3HG1 VAL 2 4.237 -3.939 -5.423 16 HG21 VAL 2 3HG2 VAL 2 2.604 -1.398 -4.846 17 HG22 VAL 2 1HG2 VAL 2 2.399 -3.150 -4.902 18 HG23 VAL 2 2HG2 VAL 2 2.057 -2.268 -3.413 19 H ALA 3 H ALA 3 5.730 -0.905 -1.177 20 HA ALA 3 HA ALA 3 8.252 -2.086 -1.713 21 HB1 ALA 3 3HB ALA 3 8.570 -0.379 0.479 22 HB2 ALA 3 1HB ALA 3 8.830 0.001 -1.224 23 HB3 ALA 3 2HB ALA 3 7.263 0.317 -0.479 24 H ARG 4 H ARG 4 5.947 -2.412 0.875 25 HA ARG 4 HA ARG 4 7.491 -3.343 2.957 26 HB2 ARG 4 2HB ARG 4 4.703 -3.939 2.049 27 HB3 ARG 4 3HB ARG 4 5.391 -4.867 3.376 28 HG2 ARG 4 2HG ARG 4 4.889 -3.240 4.784 29 HG3 ARG 4 3HG ARG 4 5.904 -2.122 3.870 30 HD2 ARG 4 2HD ARG 4 4.140 -1.233 2.732 31 HD3 ARG 4 3HD ARG 4 3.214 -2.733 2.781 32 HE ARG 4 HE ARG 4 3.089 -0.581 4.647 33 HH11 ARG 4 1HH1 ARG 4 2.793 -4.035 4.334 34 HH12 ARG 4 2HH1 ARG 4 1.738 -4.199 5.698 35 HH21 ARG 4 2HH2 ARG 4 1.116 -2.349 6.898 36 HH22 ARG 4 1HH2 ARG 4 1.701 -0.784 6.445 37 H GLY 5 H GLY 5 6.585 -4.970 -0.003 38 HA2 GLY 5 2HA GLY 5 8.116 -7.331 0.903 39 HA3 GLY 5 3HA GLY 5 6.713 -7.446 -0.151 40 H TRP 6 H TRP 6 7.959 -4.797 -1.327 41 HA TRP 6 HA TRP 6 9.423 -6.213 -3.407 42 HB2 TRP 6 2HB TRP 6 7.783 -4.691 -4.232 43 HB3 TRP 6 3HB TRP 6 8.360 -3.396 -3.186 44 HD1 TRP 6 HD1 TRP 6 8.960 -1.685 -5.077 45 HE1 TRP 6 HE1 TRP 6 10.751 -1.635 -6.925 46 HE3 TRP 6 HE3 TRP 6 10.536 -6.541 -4.814 47 HZ2 TRP 6 HZ2 TRP 6 12.588 -3.417 -8.115 48 HZ3 TRP 6 HZ3 TRP 6 12.313 -7.289 -6.343 49 HH2 TRP 6 HH2 TRP 6 13.317 -5.758 -7.958 50 H LYS 7 H LYS 7 9.932 -3.208 -1.545 51 HA LYS 7 HA LYS 7 12.825 -3.768 -1.637 52 HB2 LYS 7 2HB LYS 7 11.348 -1.150 -1.862 53 HB3 LYS 7 3HB LYS 7 13.053 -1.226 -1.436 54 HG2 LYS 7 2HG LYS 7 11.762 -2.137 -3.994 55 HG3 LYS 7 3HG LYS 7 12.901 -0.807 -3.770 56 HD2 LYS 7 2HD LYS 7 14.566 -2.533 -2.972 57 HD3 LYS 7 3HD LYS 7 13.434 -3.763 -3.540 58 HE2 LYS 7 2HE LYS 7 13.517 -2.372 -5.758 59 HE3 LYS 7 3HE LYS 7 15.045 -1.791 -5.099 60 HZ1 LYS 7 3HZ LYS 7 14.811 -4.004 -6.560 61 HZ2 LYS 7 1HZ LYS 7 14.656 -4.664 -5.010 62 HZ3 LYS 7 2HZ LYS 7 16.033 -3.768 -5.415 63 H ARG 8 H ARG 8 11.360 -1.114 0.095 64 HA ARG 8 HA ARG 8 11.971 -2.481 2.634 65 HB2 ARG 8 2HB ARG 8 12.469 0.366 1.792 66 HB3 ARG 8 3HB ARG 8 12.373 -0.087 3.488 67 HG2 ARG 8 2HG ARG 8 14.306 -1.377 3.381 68 HG3 ARG 8 3HG ARG 8 14.236 -1.503 1.623 69 HD2 ARG 8 2HD ARG 8 14.936 0.730 1.336 70 HD3 ARG 8 3HD ARG 8 14.640 1.122 3.029 71 HE ARG 8 HE ARG 8 16.711 0.297 3.546 72 HH11 ARG 8 1HH1 ARG 8 15.813 -0.786 0.362 73 HH12 ARG 8 2HH1 ARG 8 17.368 -1.464 0.011 74 HH21 ARG 8 2HH2 ARG 8 19.046 -1.353 1.567 75 HH22 ARG 8 1HH2 ARG 8 18.764 -0.591 3.096 76 H LYS 9 H LYS 9 10.708 0.705 2.706 77 HA LYS 9 HA LYS 9 8.029 -0.345 3.345 78 HB2 LYS 9 2HB LYS 9 9.592 1.844 4.715 79 HB3 LYS 9 3HB LYS 9 7.869 1.594 4.963 80 HG2 LYS 9 2HG LYS 9 8.180 -0.222 6.258 81 HG3 LYS 9 3HG LYS 9 9.579 -0.777 5.334 82 HD2 LYS 9 2HD LYS 9 10.822 1.202 6.375 83 HD3 LYS 9 3HD LYS 9 9.465 1.304 7.500 84 HE2 LYS 9 2HE LYS 9 9.976 -0.697 8.507 85 HE3 LYS 9 3HE LYS 9 10.792 -1.331 7.079 86 HZ1 LYS 9 3HZ LYS 9 12.398 -0.849 8.774 87 HZ2 LYS 9 1HZ LYS 9 11.835 0.738 8.935 88 HZ3 LYS 9 2HZ LYS 9 12.604 0.254 7.509 89 H CYS 10 H CYS 10 9.425 2.909 2.974 90 HA CYS 10 HA CYS 10 7.133 3.815 1.512 91 HB2 CYS 10 2HB CYS 10 9.432 5.001 2.797 92 HB3 CYS 10 3HB CYS 10 9.201 5.692 1.196 93 HG CYS 10 HG CYS 10 7.948 6.992 3.613 94 HA PRO 11 HA PRO 11 10.207 4.097 -2.187 95 HB2 PRO 11 2HB PRO 11 12.705 3.091 -1.840 96 HB3 PRO 11 3HB PRO 11 12.283 4.766 -1.465 97 HG2 PRO 11 2HG PRO 11 12.543 2.420 0.376 98 HG3 PRO 11 3HG PRO 11 13.112 4.084 0.599 99 HD2 PRO 11 2HD PRO 11 10.846 3.154 1.750 100 HD3 PRO 11 3HD PRO 11 11.032 4.843 1.238 101 H LEU 12 H LEU 12 9.508 2.632 -3.599 102 HA LEU 12 HA LEU 12 10.080 -0.211 -3.081 103 HB2 LEU 12 2HB LEU 12 7.885 -0.012 -4.836 104 HB3 LEU 12 3HB LEU 12 7.914 -0.641 -3.190 105 HG LEU 12 HG LEU 12 7.580 1.812 -2.476 106 HD11 LEU 12 1HD1 LEU 12 8.061 2.706 -4.757 107 HD12 LEU 12 2HD1 LEU 12 6.546 3.270 -4.054 108 HD13 LEU 12 3HD1 LEU 12 6.530 2.013 -5.290 109 HD21 LEU 12 3HD2 LEU 12 5.591 0.967 -1.979 110 HD22 LEU 12 1HD2 LEU 12 5.784 -0.270 -3.222 111 HD23 LEU 12 2HD2 LEU 12 5.055 1.283 -3.631 112 H PHE 13 H PHE 13 8.635 1.307 -5.920 113 HA PHE 13 HA PHE 13 10.812 0.193 -7.538 114 HB2 PHE 13 2HB PHE 13 8.169 1.279 -8.518 115 HB3 PHE 13 3HB PHE 13 9.315 0.285 -9.411 116 HD1 PHE 13 HD1 PHE 13 6.932 0.274 -6.586 117 HD2 PHE 13 HD2 PHE 13 9.234 -2.059 -9.300 118 HE1 PHE 13 HE1 PHE 13 5.737 -1.748 -5.854 119 HE2 PHE 13 HE2 PHE 13 8.044 -4.086 -8.573 120 HZ PHE 13 HZ PHE 13 6.292 -3.932 -6.849 121 H GLY 14 H GLY 14 9.117 2.454 -9.287 122 HA2 GLY 14 2HA GLY 14 11.216 4.483 -8.819 123 HA3 GLY 14 3HA GLY 14 10.521 4.144 -10.398 124 H LYS 15 H LYS 15 8.345 4.118 -7.751 125 HA LYS 15 HA LYS 15 7.190 6.639 -8.704 126 HB2 LYS 15 2HB LYS 15 5.931 4.578 -6.890 127 HB3 LYS 15 3HB LYS 15 5.123 5.921 -7.690 128 HG2 LYS 15 2HG LYS 15 4.546 4.345 -9.177 129 HG3 LYS 15 3HG LYS 15 6.160 4.648 -9.826 130 HD2 LYS 15 2HD LYS 15 6.875 2.609 -9.254 131 HD3 LYS 15 3HD LYS 15 6.179 2.734 -7.636 132 HE2 LYS 15 2HE LYS 15 4.959 0.994 -8.514 133 HE3 LYS 15 3HE LYS 15 3.922 2.365 -8.900 134 HZ1 LYS 15 3HZ LYS 15 5.866 1.830 -10.937 135 HZ2 LYS 15 1HZ LYS 15 4.191 2.031 -11.070 136 HZ3 LYS 15 2HZ LYS 15 4.832 0.518 -10.669 137 H GLY 16 H GLY 16 5.812 6.065 -5.812 138 HA2 GLY 16 2HA GLY 16 7.759 7.771 -4.385 139 HA3 GLY 16 3HA GLY 16 6.021 7.988 -4.250 140 H GLY 17 H GLY 17 4.894 5.774 -3.632 141 HA2 GLY 17 2HA GLY 17 5.750 3.695 -2.285 142 HA3 GLY 17 3HA GLY 17 6.210 4.953 -1.146 Start of MODEL 10 1 H21 PTL 1 H1 MET 1 1.469 -0.911 0.320 2 H22 PTL 1 HA MET 1 2.815 -0.646 1.411 3 H31 PTL 1 2HB MET 1 0.444 -2.083 1.953 4 H32 PTL 1 3HB MET 1 1.745 -3.264 1.906 5 H41 PTL 1 2HG MET 1 1.641 -0.791 3.618 6 H42 PTL 1 3HG MET 1 1.405 -2.453 4.157 7 H51 PTL 1 H3 MET 1 3.699 -2.992 3.526 8 H52 PTL 1 H2 MET 1 3.638 -1.657 4.701 9 H53 PTL 1 H4 MET 1 3.936 -1.314 2.980 10 H VAL 2 H VAL 2 2.731 -1.240 -1.524 11 HA VAL 2 HA VAL 2 3.653 -3.814 -2.089 12 HB VAL 2 HB VAL 2 4.290 -1.208 -3.476 13 HG11 VAL 2 1HG1 VAL 2 5.939 -2.472 -4.388 14 HG12 VAL 2 2HG1 VAL 2 5.122 -3.995 -4.031 15 HG13 VAL 2 3HG1 VAL 2 4.609 -3.020 -5.408 16 HG21 VAL 2 3HG2 VAL 2 2.622 -2.186 -5.141 17 HG22 VAL 2 1HG2 VAL 2 2.180 -3.311 -3.857 18 HG23 VAL 2 2HG2 VAL 2 1.974 -1.576 -3.619 19 H ALA 3 H ALA 3 5.216 -1.184 -0.522 20 HA ALA 3 HA ALA 3 7.905 -1.730 -1.085 21 HB1 ALA 3 3HB ALA 3 8.444 -0.348 0.750 22 HB2 ALA 3 1HB ALA 3 6.944 0.300 0.084 23 HB3 ALA 3 2HB ALA 3 6.907 -0.680 1.549 24 H ARG 4 H ARG 4 5.770 -2.981 1.453 25 HA ARG 4 HA ARG 4 7.692 -4.463 2.856 26 HB2 ARG 4 2HB ARG 4 5.569 -4.058 3.876 27 HB3 ARG 4 3HB ARG 4 4.714 -4.828 2.548 28 HG2 ARG 4 2HG ARG 4 6.663 -6.504 3.996 29 HG3 ARG 4 3HG ARG 4 5.209 -6.036 4.880 30 HD2 ARG 4 2HD ARG 4 4.343 -6.798 2.327 31 HD3 ARG 4 3HD ARG 4 5.538 -8.002 2.805 32 HE ARG 4 HE ARG 4 4.074 -8.779 4.384 33 HH11 ARG 4 1HH1 ARG 4 3.018 -5.648 3.288 34 HH12 ARG 4 2HH1 ARG 4 1.505 -5.720 4.128 35 HH21 ARG 4 2HH2 ARG 4 0.976 -7.561 5.385 36 HH22 ARG 4 1HH2 ARG 4 2.086 -8.885 5.496 37 H GLY 5 H GLY 5 6.296 -4.970 -0.217 38 HA2 GLY 5 2HA GLY 5 7.260 -7.763 -0.218 39 HA3 GLY 5 3HA GLY 5 5.922 -7.194 -1.204 40 H TRP 6 H TRP 6 8.197 -4.799 -1.155 41 HA TRP 6 HA TRP 6 9.464 -5.812 -3.617 42 HB2 TRP 6 2HB TRP 6 7.970 -4.065 -4.259 43 HB3 TRP 6 3HB TRP 6 8.506 -3.032 -2.938 44 HD1 TRP 6 HD1 TRP 6 9.386 -1.028 -4.364 45 HE1 TRP 6 HE1 TRP 6 11.325 -0.738 -6.031 46 HE3 TRP 6 HE3 TRP 6 10.631 -5.943 -5.023 47 HZ2 TRP 6 HZ2 TRP 6 13.141 -2.377 -7.441 48 HZ3 TRP 6 HZ3 TRP 6 12.480 -6.496 -6.549 49 HH2 TRP 6 HH2 TRP 6 13.708 -4.749 -7.732 50 H LYS 7 H LYS 7 10.038 -2.943 -1.601 51 HA LYS 7 HA LYS 7 12.822 -3.852 -1.268 52 HB2 LYS 7 2HB LYS 7 11.673 -1.086 -1.599 53 HB3 LYS 7 3HB LYS 7 13.289 -1.354 -0.958 54 HG2 LYS 7 2HG LYS 7 12.269 -2.115 -3.684 55 HG3 LYS 7 3HG LYS 7 13.455 -0.867 -3.293 56 HD2 LYS 7 2HD LYS 7 14.889 -2.702 -2.324 57 HD3 LYS 7 3HD LYS 7 13.755 -3.854 -3.034 58 HE2 LYS 7 2HE LYS 7 15.027 -3.745 -4.866 59 HE3 LYS 7 3HE LYS 7 14.317 -2.154 -5.126 60 HZ1 LYS 7 3HZ LYS 7 16.195 -1.109 -4.480 61 HZ2 LYS 7 1HZ LYS 7 16.922 -2.554 -4.976 62 HZ3 LYS 7 2HZ LYS 7 16.610 -2.283 -3.336 63 H ARG 8 H ARG 8 11.453 -1.080 0.345 64 HA ARG 8 HA ARG 8 11.546 -2.558 2.894 65 HB2 ARG 8 2HB ARG 8 12.435 0.260 2.281 66 HB3 ARG 8 3HB ARG 8 12.182 -0.330 3.918 67 HG2 ARG 8 2HG ARG 8 14.085 -1.529 3.925 68 HG3 ARG 8 3HG ARG 8 13.928 -1.988 2.229 69 HD2 ARG 8 2HD ARG 8 14.383 0.665 1.986 70 HD3 ARG 8 3HD ARG 8 15.292 0.316 3.456 71 HE ARG 8 HE ARG 8 15.963 -0.468 0.786 72 HH11 ARG 8 1HH1 ARG 8 16.276 -1.312 4.149 73 HH12 ARG 8 2HH1 ARG 8 17.739 -2.212 3.922 74 HH21 ARG 8 2HH2 ARG 8 18.656 -2.402 1.831 75 HH22 ARG 8 1HH2 ARG 8 17.889 -1.650 0.474 76 H LYS 9 H LYS 9 10.727 0.712 3.139 77 HA LYS 9 HA LYS 9 7.850 0.075 3.154 78 HB2 LYS 9 2HB LYS 9 9.485 1.594 5.174 79 HB3 LYS 9 3HB LYS 9 7.748 1.833 5.036 80 HG2 LYS 9 2HG LYS 9 7.568 0.173 6.505 81 HG3 LYS 9 3HG LYS 9 7.969 -0.898 5.161 82 HD2 LYS 9 2HD LYS 9 10.318 -0.814 5.756 83 HD3 LYS 9 3HD LYS 9 9.976 0.347 7.041 84 HE2 LYS 9 2HE LYS 9 8.327 -2.010 7.295 85 HE3 LYS 9 3HE LYS 9 10.037 -2.436 7.245 86 HZ1 LYS 9 3HZ LYS 9 9.294 -0.201 8.960 87 HZ2 LYS 9 1HZ LYS 9 10.443 -1.420 9.204 88 HZ3 LYS 9 2HZ LYS 9 8.802 -1.738 9.470 89 H CYS 10 H CYS 10 9.927 2.960 3.475 90 HA CYS 10 HA CYS 10 8.091 4.627 2.083 91 HB2 CYS 10 2HB CYS 10 10.649 4.924 3.439 92 HB3 CYS 10 3HB CYS 10 10.560 5.905 1.982 93 HG CYS 10 HG CYS 10 8.766 7.636 2.801 94 HA PRO 11 HA PRO 11 11.262 4.392 -1.548 95 HB2 PRO 11 2HB PRO 11 13.262 2.568 -1.349 96 HB3 PRO 11 3HB PRO 11 13.407 4.223 -0.744 97 HG2 PRO 11 2HG PRO 11 12.787 1.706 0.753 98 HG3 PRO 11 3HG PRO 11 13.868 3.037 1.203 99 HD2 PRO 11 2HD PRO 11 11.372 2.780 2.219 100 HD3 PRO 11 3HD PRO 11 12.134 4.362 1.946 101 H LEU 12 H LEU 12 10.290 3.423 -3.205 102 HA LEU 12 HA LEU 12 9.756 0.530 -3.032 103 HB2 LEU 12 2HB LEU 12 7.754 2.082 -2.888 104 HB3 LEU 12 3HB LEU 12 8.085 2.503 -4.567 105 HG LEU 12 HG LEU 12 7.866 -0.015 -5.031 106 HD11 LEU 12 1HD1 LEU 12 7.615 -0.096 -2.263 107 HD12 LEU 12 2HD1 LEU 12 7.296 -1.407 -3.398 108 HD13 LEU 12 3HD1 LEU 12 5.982 -0.355 -2.873 109 HD21 LEU 12 3HD2 LEU 12 5.656 0.282 -5.605 110 HD22 LEU 12 1HD2 LEU 12 6.198 1.952 -5.436 111 HD23 LEU 12 2HD2 LEU 12 5.284 1.187 -4.137 112 H PHE 13 H PHE 13 8.646 1.635 -5.914 113 HA PHE 13 HA PHE 13 10.996 0.625 -7.311 114 HB2 PHE 13 2HB PHE 13 8.179 1.236 -8.208 115 HB3 PHE 13 3HB PHE 13 9.456 0.772 -9.326 116 HD1 PHE 13 HD1 PHE 13 7.112 -0.360 -6.812 117 HD2 PHE 13 HD2 PHE 13 10.450 -1.479 -9.203 118 HE1 PHE 13 HE1 PHE 13 6.633 -2.732 -6.363 119 HE2 PHE 13 HE2 PHE 13 9.977 -3.852 -8.758 120 HZ PHE 13 HZ PHE 13 8.066 -4.481 -7.338 121 H GLY 14 H GLY 14 9.156 2.638 -9.273 122 HA2 GLY 14 2HA GLY 14 11.065 4.865 -8.915 123 HA3 GLY 14 3HA GLY 14 10.645 4.250 -10.507 124 H LYS 15 H LYS 15 8.116 4.310 -8.198 125 HA LYS 15 HA LYS 15 7.009 6.718 -9.488 126 HB2 LYS 15 2HB LYS 15 4.948 5.191 -8.252 127 HB3 LYS 15 3HB LYS 15 5.178 5.537 -9.961 128 HG2 LYS 15 2HG LYS 15 5.152 3.245 -9.955 129 HG3 LYS 15 3HG LYS 15 6.883 3.571 -9.847 130 HD2 LYS 15 2HD LYS 15 6.324 1.856 -8.259 131 HD3 LYS 15 3HD LYS 15 6.710 3.335 -7.376 132 HE2 LYS 15 2HE LYS 15 4.761 3.114 -6.327 133 HE3 LYS 15 3HE LYS 15 3.970 3.480 -7.859 134 HZ1 LYS 15 3HZ LYS 15 4.805 0.738 -7.616 135 HZ2 LYS 15 1HZ LYS 15 3.314 1.377 -8.100 136 HZ3 LYS 15 2HZ LYS 15 3.662 1.194 -6.455 137 H GLY 16 H GLY 16 5.909 4.932 -6.633 138 HA2 GLY 16 2HA GLY 16 6.372 7.382 -5.045 139 HA3 GLY 16 3HA GLY 16 4.919 6.407 -4.879 140 H GLY 17 H GLY 17 4.893 5.021 -3.242 141 HA2 GLY 17 2HA GLY 17 6.058 3.078 -2.230 142 HA3 GLY 17 3HA GLY 17 7.494 4.091 -2.189 Start of MODEL 11 1 H21 PTL 1 H1 PTL 1 1.854 -2.339 1.617 2 H22 PTL 1 HA PTL 1 1.115 -1.806 0.119 3 H31 PTL 1 2HB PTL 1 3.531 -0.507 1.393 4 H32 PTL 1 3HB PTL 1 2.753 0.011 -0.098 5 H41 PTL 1 2HG PTL 1 0.757 0.615 1.088 6 H42 PTL 1 3HG PTL 1 1.399 -0.053 2.587 7 H51 PTL 1 H3 PTL 1 3.169 1.625 2.586 8 H52 PTL 1 H2 PTL 1 1.554 2.374 2.565 9 H53 PTL 1 H4 PTL 1 2.521 2.299 1.072 10 H VAL 2 H VAL 2 2.652 -1.581 -1.788 11 HA VAL 2 HA VAL 2 3.810 -4.073 -2.350 12 HB VAL 2 HB VAL 2 4.219 -1.420 -3.734 13 HG11 VAL 2 1HG1 VAL 2 5.983 -2.580 -4.595 14 HG12 VAL 2 2HG1 VAL 2 5.232 -4.152 -4.315 15 HG13 VAL 2 3HG1 VAL 2 4.711 -3.153 -5.672 16 HG21 VAL 2 3HG2 VAL 2 2.303 -1.781 -4.841 17 HG22 VAL 2 1HG2 VAL 2 2.631 -3.503 -5.034 18 HG23 VAL 2 2HG2 VAL 2 1.930 -2.902 -3.532 19 H ALA 3 H ALA 3 5.064 -1.324 -0.730 20 HA ALA 3 HA ALA 3 7.809 -1.596 -1.270 21 HB1 ALA 3 3HB ALA 3 6.698 0.363 -0.170 22 HB2 ALA 3 1HB ALA 3 6.613 -0.597 1.306 23 HB3 ALA 3 2HB ALA 3 8.182 -0.185 0.612 24 H ARG 4 H ARG 4 5.920 -2.770 1.521 25 HA ARG 4 HA ARG 4 7.961 -4.149 2.803 26 HB2 ARG 4 2HB ARG 4 5.791 -3.721 3.843 27 HB3 ARG 4 3HB ARG 4 5.014 -4.814 2.706 28 HG2 ARG 4 2HG ARG 4 5.410 -5.766 4.977 29 HG3 ARG 4 3HG ARG 4 6.102 -6.704 3.651 30 HD2 ARG 4 2HD ARG 4 8.198 -6.392 4.378 31 HD3 ARG 4 3HD ARG 4 7.918 -4.685 4.723 32 HE ARG 4 HE ARG 4 7.533 -5.230 6.910 33 HH11 ARG 4 1HH1 ARG 4 7.333 -8.113 4.969 34 HH12 ARG 4 2HH1 ARG 4 7.216 -9.178 6.331 35 HH21 ARG 4 2HH2 ARG 4 7.242 -8.329 8.458 36 HH22 ARG 4 1HH2 ARG 4 7.380 -6.622 8.710 37 H GLY 5 H GLY 5 6.239 -4.932 -0.080 38 HA2 GLY 5 2HA GLY 5 7.284 -7.687 -0.017 39 HA3 GLY 5 3HA GLY 5 5.967 -7.126 -1.038 40 H TRP 6 H TRP 6 8.244 -4.757 -1.095 41 HA TRP 6 HA TRP 6 9.565 -5.915 -3.462 42 HB2 TRP 6 2HB TRP 6 8.067 -4.235 -4.252 43 HB3 TRP 6 3HB TRP 6 8.560 -3.107 -2.992 44 HD1 TRP 6 HD1 TRP 6 9.456 -1.190 -4.519 45 HE1 TRP 6 HE1 TRP 6 11.424 -0.986 -6.165 46 HE3 TRP 6 HE3 TRP 6 10.755 -6.123 -4.845 47 HZ2 TRP 6 HZ2 TRP 6 13.282 -2.691 -7.433 48 HZ3 TRP 6 HZ3 TRP 6 12.640 -6.753 -6.297 49 HH2 TRP 6 HH2 TRP 6 13.875 -5.071 -7.564 50 H LYS 7 H LYS 7 10.068 -2.906 -1.643 51 HA LYS 7 HA LYS 7 12.851 -3.761 -1.182 52 HB2 LYS 7 2HB LYS 7 11.692 -1.040 -1.758 53 HB3 LYS 7 3HB LYS 7 13.291 -1.240 -1.052 54 HG2 LYS 7 2HG LYS 7 12.354 -2.220 -3.738 55 HG3 LYS 7 3HG LYS 7 13.524 -0.939 -3.411 56 HD2 LYS 7 2HD LYS 7 14.932 -2.690 -2.257 57 HD3 LYS 7 3HD LYS 7 13.827 -3.896 -2.919 58 HE2 LYS 7 2HE LYS 7 14.416 -2.428 -5.132 59 HE3 LYS 7 3HE LYS 7 15.931 -2.326 -4.236 60 HZ1 LYS 7 3HZ LYS 7 16.349 -4.507 -4.518 61 HZ2 LYS 7 1HZ LYS 7 15.335 -4.331 -5.861 62 HZ3 LYS 7 2HZ LYS 7 14.722 -4.964 -4.418 63 H ARG 8 H ARG 8 11.370 -0.899 0.175 64 HA ARG 8 HA ARG 8 11.470 -2.159 2.837 65 HB2 ARG 8 2HB ARG 8 12.206 0.659 2.035 66 HB3 ARG 8 3HB ARG 8 12.010 0.141 3.703 67 HG2 ARG 8 2HG ARG 8 14.239 -0.149 3.546 68 HG3 ARG 8 3HG ARG 8 13.750 -1.713 2.891 69 HD2 ARG 8 2HD ARG 8 15.024 -1.177 1.133 70 HD3 ARG 8 3HD ARG 8 13.698 -0.109 0.675 71 HE ARG 8 HE ARG 8 15.415 1.236 2.453 72 HH11 ARG 8 1HH1 ARG 8 15.306 0.048 -0.817 73 HH12 ARG 8 2HH1 ARG 8 16.409 1.239 -1.425 74 HH21 ARG 8 2HH2 ARG 8 17.297 2.809 -0.011 75 HH22 ARG 8 1HH2 ARG 8 16.868 2.809 1.666 76 H LYS 9 H LYS 9 10.504 1.058 2.884 77 HA LYS 9 HA LYS 9 7.656 0.306 2.839 78 HB2 LYS 9 2HB LYS 9 7.646 2.349 4.596 79 HB3 LYS 9 3HB LYS 9 7.781 0.662 5.074 80 HG2 LYS 9 2HG LYS 9 9.989 0.845 5.616 81 HG3 LYS 9 3HG LYS 9 10.278 2.153 4.467 82 HD2 LYS 9 2HD LYS 9 10.417 3.106 6.637 83 HD3 LYS 9 3HD LYS 9 8.873 3.622 5.957 84 HE2 LYS 9 2HE LYS 9 8.662 1.110 7.397 85 HE3 LYS 9 3HE LYS 9 9.274 2.413 8.416 86 HZ1 LYS 9 3HZ LYS 9 6.683 2.205 7.032 87 HZ2 LYS 9 1HZ LYS 9 7.317 3.729 7.406 88 HZ3 LYS 9 2HZ LYS 9 7.005 2.616 8.641 89 H CYS 10 H CYS 10 9.692 3.234 2.998 90 HA CYS 10 HA CYS 10 7.812 4.797 1.527 91 HB2 CYS 10 2HB CYS 10 10.401 5.216 2.834 92 HB3 CYS 10 3HB CYS 10 10.195 6.172 1.371 93 HG CYS 10 HG CYS 10 7.418 6.629 2.809 94 HA PRO 11 HA PRO 11 11.018 4.455 -2.061 95 HB2 PRO 11 2HB PRO 11 13.075 2.711 -1.748 96 HB3 PRO 11 3HB PRO 11 13.160 4.400 -1.233 97 HG2 PRO 11 2HG PRO 11 12.608 1.950 0.396 98 HG3 PRO 11 3HG PRO 11 13.642 3.340 0.779 99 HD2 PRO 11 2HD PRO 11 11.146 3.059 1.789 100 HD3 PRO 11 3HD PRO 11 11.860 4.644 1.435 101 H LEU 12 H LEU 12 10.180 3.345 -3.706 102 HA LEU 12 HA LEU 12 9.669 0.465 -3.346 103 HB2 LEU 12 2HB LEU 12 7.656 2.038 -3.417 104 HB3 LEU 12 3HB LEU 12 8.045 2.262 -5.122 105 HG LEU 12 HG LEU 12 7.870 -0.318 -5.255 106 HD11 LEU 12 1HD1 LEU 12 5.823 -0.360 -3.231 107 HD12 LEU 12 2HD1 LEU 12 7.395 0.015 -2.526 108 HD13 LEU 12 3HD1 LEU 12 7.184 -1.455 -3.477 109 HD21 LEU 12 3HD2 LEU 12 5.232 0.967 -4.740 110 HD22 LEU 12 1HD2 LEU 12 5.737 -0.089 -6.060 111 HD23 LEU 12 2HD2 LEU 12 6.253 1.597 -6.034 112 H PHE 13 H PHE 13 8.662 1.275 -6.340 113 HA PHE 13 HA PHE 13 11.100 0.244 -7.555 114 HB2 PHE 13 2HB PHE 13 8.303 0.677 -8.601 115 HB3 PHE 13 3HB PHE 13 9.638 0.181 -9.636 116 HD1 PHE 13 HD1 PHE 13 7.293 -0.839 -7.054 117 HD2 PHE 13 HD2 PHE 13 10.660 -2.024 -9.373 118 HE1 PHE 13 HE1 PHE 13 6.886 -3.187 -6.440 119 HE2 PHE 13 HE2 PHE 13 10.258 -4.373 -8.763 120 HZ PHE 13 HZ PHE 13 8.369 -4.958 -7.295 121 H GLY 14 H GLY 14 8.874 2.452 -9.144 122 HA2 GLY 14 2HA GLY 14 11.107 4.366 -9.444 123 HA3 GLY 14 3HA GLY 14 10.013 3.971 -10.762 124 H LYS 15 H LYS 15 8.247 4.008 -7.962 125 HA LYS 15 HA LYS 15 7.416 6.792 -8.440 126 HB2 LYS 15 2HB LYS 15 5.233 6.042 -7.401 127 HB3 LYS 15 3HB LYS 15 5.606 5.355 -8.976 128 HG2 LYS 15 2HG LYS 15 6.401 3.850 -6.535 129 HG3 LYS 15 3HG LYS 15 4.704 3.861 -7.021 130 HD2 LYS 15 2HD LYS 15 6.616 3.343 -9.194 131 HD3 LYS 15 3HD LYS 15 6.561 2.103 -7.939 132 HE2 LYS 15 2HE LYS 15 3.985 2.292 -8.242 133 HE3 LYS 15 3HE LYS 15 4.399 3.032 -9.788 134 HZ1 LYS 15 3HZ LYS 15 5.162 0.318 -8.858 135 HZ2 LYS 15 1HZ LYS 15 5.729 1.030 -10.285 136 HZ3 LYS 15 2HZ LYS 15 4.080 0.699 -10.101 137 H GLY 16 H GLY 16 5.807 5.695 -5.805 138 HA2 GLY 16 2HA GLY 16 7.787 6.908 -3.979 139 HA3 GLY 16 3HA GLY 16 6.045 7.025 -3.770 140 H GLY 17 H GLY 17 5.148 5.681 -2.354 141 HA2 GLY 17 2HA GLY 17 6.457 3.091 -1.852 142 HA3 GLY 17 3HA GLY 17 6.082 4.152 -0.503 Start of MODEL 12 1 H21 PTL 1 H1 MET 1 1.919 -2.104 1.904 2 H22 PTL 1 HA MET 1 1.018 -1.678 0.462 3 H31 PTL 1 2HB MET 1 2.571 0.137 -0.050 4 H32 PTL 1 3HB MET 1 1.885 0.337 1.556 5 H41 PTL 1 2HG MET 1 4.256 -1.148 1.864 6 H42 PTL 1 3HG MET 1 4.619 0.184 0.770 7 H51 PTL 1 H3 MET 1 3.717 1.771 2.391 8 H52 PTL 1 H2 MET 1 5.039 0.803 3.086 9 H53 PTL 1 H4 MET 1 3.349 0.424 3.494 10 H VAL 2 H VAL 2 2.810 -1.237 -1.461 11 HA VAL 2 HA VAL 2 3.684 -3.846 -2.160 12 HB VAL 2 HB VAL 2 4.272 -1.179 -3.450 13 HG11 VAL 2 1HG1 VAL 2 4.605 -2.927 -5.445 14 HG12 VAL 2 2HG1 VAL 2 5.933 -2.388 -4.413 15 HG13 VAL 2 3HG1 VAL 2 5.141 -3.932 -4.099 16 HG21 VAL 2 3HG2 VAL 2 2.602 -2.868 -5.008 17 HG22 VAL 2 1HG2 VAL 2 1.942 -2.800 -3.374 18 HG23 VAL 2 2HG2 VAL 2 2.215 -1.310 -4.278 19 H ALA 3 H ALA 3 5.162 -1.227 -0.493 20 HA ALA 3 HA ALA 3 7.872 -1.716 -1.058 21 HB1 ALA 3 3HB ALA 3 6.799 -0.665 1.551 22 HB2 ALA 3 1HB ALA 3 8.373 -0.352 0.818 23 HB3 ALA 3 2HB ALA 3 6.911 0.309 0.085 24 H ARG 4 H ARG 4 5.729 -3.007 1.452 25 HA ARG 4 HA ARG 4 7.674 -4.466 2.862 26 HB2 ARG 4 2HB ARG 4 4.696 -4.863 2.571 27 HB3 ARG 4 3HB ARG 4 5.693 -5.827 3.651 28 HG2 ARG 4 2HG ARG 4 5.518 -4.281 5.219 29 HG3 ARG 4 3HG ARG 4 6.248 -3.086 4.145 30 HD2 ARG 4 2HD ARG 4 4.253 -2.180 3.581 31 HD3 ARG 4 3HD ARG 4 3.412 -3.728 3.639 32 HE ARG 4 HE ARG 4 3.539 -1.795 5.706 33 HH11 ARG 4 1HH1 ARG 4 3.536 -5.232 5.152 34 HH12 ARG 4 2HH1 ARG 4 2.848 -5.612 6.696 35 HH21 ARG 4 2HH2 ARG 4 2.334 -3.933 8.168 36 HH22 ARG 4 1HH2 ARG 4 2.634 -2.282 7.742 37 H GLY 5 H GLY 5 6.312 -4.965 -0.215 38 HA2 GLY 5 2HA GLY 5 7.263 -7.763 -0.212 39 HA3 GLY 5 3HA GLY 5 5.920 -7.197 -1.194 40 H TRP 6 H TRP 6 8.207 -4.804 -1.142 41 HA TRP 6 HA TRP 6 9.463 -5.814 -3.610 42 HB2 TRP 6 2HB TRP 6 7.967 -4.066 -4.246 43 HB3 TRP 6 3HB TRP 6 8.510 -3.032 -2.928 44 HD1 TRP 6 HD1 TRP 6 9.406 -1.029 -4.334 45 HE1 TRP 6 HE1 TRP 6 11.330 -0.743 -6.020 46 HE3 TRP 6 HE3 TRP 6 10.596 -5.948 -5.052 47 HZ2 TRP 6 HZ2 TRP 6 13.115 -2.385 -7.462 48 HZ3 TRP 6 HZ3 TRP 6 12.423 -6.506 -6.602 49 HH2 TRP 6 HH2 TRP 6 13.656 -4.760 -7.781 50 H LYS 7 H LYS 7 10.043 -2.945 -1.596 51 HA LYS 7 HA LYS 7 12.825 -3.858 -1.261 52 HB2 LYS 7 2HB LYS 7 11.686 -1.091 -1.614 53 HB3 LYS 7 3HB LYS 7 13.300 -1.359 -0.967 54 HG2 LYS 7 2HG LYS 7 12.281 -2.136 -3.689 55 HG3 LYS 7 3HG LYS 7 13.472 -0.892 -3.305 56 HD2 LYS 7 2HD LYS 7 14.896 -2.726 -2.319 57 HD3 LYS 7 3HD LYS 7 13.760 -3.877 -3.025 58 HE2 LYS 7 2HE LYS 7 14.869 -3.750 -4.944 59 HE3 LYS 7 3HE LYS 7 14.438 -2.045 -5.058 60 HZ1 LYS 7 3HZ LYS 7 16.765 -2.130 -5.177 61 HZ2 LYS 7 1HZ LYS 7 16.889 -3.231 -3.899 62 HZ3 LYS 7 2HZ LYS 7 16.434 -1.631 -3.594 63 H ARG 8 H ARG 8 11.460 -1.070 0.332 64 HA ARG 8 HA ARG 8 11.551 -2.529 2.891 65 HB2 ARG 8 2HB ARG 8 12.428 0.292 2.268 66 HB3 ARG 8 3HB ARG 8 12.198 -0.307 3.905 67 HG2 ARG 8 2HG ARG 8 14.146 -1.398 1.884 68 HG3 ARG 8 3HG ARG 8 14.540 -0.369 3.263 69 HD2 ARG 8 2HD ARG 8 13.399 -3.158 3.349 70 HD3 ARG 8 3HD ARG 8 15.029 -2.669 3.806 71 HE ARG 8 HE ARG 8 13.375 -1.180 5.399 72 HH11 ARG 8 1HH1 ARG 8 13.851 -4.576 4.796 73 HH12 ARG 8 2HH1 ARG 8 13.380 -5.059 6.391 74 HH21 ARG 8 2HH2 ARG 8 12.754 -3.480 7.930 75 HH22 ARG 8 1HH2 ARG 8 12.752 -1.803 7.502 76 H LYS 9 H LYS 9 10.734 0.738 3.126 77 HA LYS 9 HA LYS 9 7.856 0.103 3.137 78 HB2 LYS 9 2HB LYS 9 7.987 2.074 4.974 79 HB3 LYS 9 3HB LYS 9 8.057 0.364 5.379 80 HG2 LYS 9 2HG LYS 9 10.600 1.772 4.762 81 HG3 LYS 9 3HG LYS 9 9.818 2.078 6.315 82 HD2 LYS 9 2HD LYS 9 10.078 -0.751 5.474 83 HD3 LYS 9 3HD LYS 9 11.562 0.086 5.933 84 HE2 LYS 9 2HE LYS 9 11.020 0.065 8.101 85 HE3 LYS 9 3HE LYS 9 9.366 0.584 7.777 86 HZ1 LYS 9 3HZ LYS 9 8.788 -1.467 8.363 87 HZ2 LYS 9 1HZ LYS 9 10.379 -2.041 8.298 88 HZ3 LYS 9 2HZ LYS 9 9.439 -1.992 6.893 89 H CYS 10 H CYS 10 9.931 2.991 3.451 90 HA CYS 10 HA CYS 10 8.098 4.651 2.049 91 HB2 CYS 10 2HB CYS 10 10.644 4.955 3.419 92 HB3 CYS 10 3HB CYS 10 10.579 5.918 1.948 93 HG CYS 10 HG CYS 10 7.851 6.787 2.977 94 HA PRO 11 HA PRO 11 11.271 4.404 -1.578 95 HB2 PRO 11 2HB PRO 11 13.275 2.584 -1.370 96 HB3 PRO 11 3HB PRO 11 13.417 4.242 -0.772 97 HG2 PRO 11 2HG PRO 11 12.800 1.730 0.737 98 HG3 PRO 11 3HG PRO 11 13.879 3.066 1.180 99 HD2 PRO 11 2HD PRO 11 11.382 2.810 2.196 100 HD3 PRO 11 3HD PRO 11 12.141 4.390 1.916 101 H LEU 12 H LEU 12 10.292 3.427 -3.227 102 HA LEU 12 HA LEU 12 9.770 0.533 -3.044 103 HB2 LEU 12 2HB LEU 12 7.765 2.086 -2.902 104 HB3 LEU 12 3HB LEU 12 8.089 2.489 -4.588 105 HG LEU 12 HG LEU 12 7.879 -0.041 -5.015 106 HD11 LEU 12 1HD1 LEU 12 7.609 -0.071 -2.246 107 HD12 LEU 12 2HD1 LEU 12 7.304 -1.403 -3.359 108 HD13 LEU 12 3HD1 LEU 12 5.981 -0.347 -2.866 109 HD21 LEU 12 3HD2 LEU 12 5.292 1.172 -4.156 110 HD22 LEU 12 1HD2 LEU 12 5.676 0.251 -5.611 111 HD23 LEU 12 2HD2 LEU 12 6.215 1.924 -5.458 112 H PHE 13 H PHE 13 8.650 1.618 -5.927 113 HA PHE 13 HA PHE 13 10.999 0.610 -7.325 114 HB2 PHE 13 2HB PHE 13 8.177 1.212 -8.211 115 HB3 PHE 13 3HB PHE 13 9.452 0.761 -9.339 116 HD1 PHE 13 HD1 PHE 13 7.145 -0.398 -6.795 117 HD2 PHE 13 HD2 PHE 13 10.446 -1.485 -9.252 118 HE1 PHE 13 HE1 PHE 13 6.686 -2.775 -6.354 119 HE2 PHE 13 HE2 PHE 13 9.991 -3.863 -8.816 120 HZ PHE 13 HZ PHE 13 8.109 -4.511 -7.366 121 H GLY 14 H GLY 14 9.149 2.622 -9.281 122 HA2 GLY 14 2HA GLY 14 11.060 4.849 -8.937 123 HA3 GLY 14 3HA GLY 14 10.637 4.230 -10.526 124 H LYS 15 H LYS 15 8.169 4.371 -8.118 125 HA LYS 15 HA LYS 15 7.047 6.759 -9.431 126 HB2 LYS 15 2HB LYS 15 4.974 5.227 -8.223 127 HB3 LYS 15 3HB LYS 15 5.215 5.590 -9.927 128 HG2 LYS 15 2HG LYS 15 5.172 3.296 -9.938 129 HG3 LYS 15 3HG LYS 15 6.904 3.616 -9.832 130 HD2 LYS 15 2HD LYS 15 6.345 1.890 -8.257 131 HD3 LYS 15 3HD LYS 15 6.740 3.359 -7.363 132 HE2 LYS 15 2HE LYS 15 4.787 3.180 -6.320 133 HE3 LYS 15 3HE LYS 15 3.987 3.485 -7.861 134 HZ1 LYS 15 3HZ LYS 15 3.845 1.188 -6.355 135 HZ2 LYS 15 1HZ LYS 15 4.829 0.780 -7.669 136 HZ3 LYS 15 2HZ LYS 15 3.278 1.399 -7.935 137 H GLY 16 H GLY 16 5.921 4.946 -6.605 138 HA2 GLY 16 2HA GLY 16 6.399 7.369 -4.981 139 HA3 GLY 16 3HA GLY 16 4.934 6.410 -4.839 140 H GLY 17 H GLY 17 4.881 5.008 -3.215 141 HA2 GLY 17 2HA GLY 17 5.993 3.042 -2.207 142 HA3 GLY 17 3HA GLY 17 7.461 4.007 -2.177 Start of MODEL 13 1 H21 PTL 1 HA2 MET 1 1.353 -0.636 -0.481 2 H22 PTL 1 HA3 MET 1 2.736 0.017 0.445 3 H31 PTL 1 2HB MET 1 0.754 -2.094 1.283 4 H32 PTL 1 3HB MET 1 2.279 -1.847 2.124 5 H41 PTL 1 2HG MET 1 0.675 0.576 1.724 6 H42 PTL 1 3HG MET 1 -0.048 -0.640 2.771 7 H51 PTL 1 2 MET 1 1.261 0.978 4.042 8 H52 PTL 1 3 MET 1 1.949 -0.658 4.159 9 H53 PTL 1 H1 MET 1 2.703 0.550 3.092 10 H VAL 2 H VAL 2 2.673 -1.298 -2.212 11 HA VAL 2 HA VAL 2 3.613 -3.912 -2.170 12 HB VAL 2 HB VAL 2 4.209 -1.653 -4.073 13 HG11 VAL 2 1HG1 VAL 2 5.276 -4.424 -3.992 14 HG12 VAL 2 2HG1 VAL 2 4.829 -3.752 -5.563 15 HG13 VAL 2 3HG1 VAL 2 6.031 -2.936 -4.562 16 HG21 VAL 2 3HG2 VAL 2 1.915 -2.354 -4.107 17 HG22 VAL 2 1HG2 VAL 2 2.706 -2.976 -5.556 18 HG23 VAL 2 2HG2 VAL 2 2.386 -4.052 -4.195 19 H ALA 3 H ALA 3 5.171 -0.999 -1.202 20 HA ALA 3 HA ALA 3 7.852 -1.525 -1.569 21 HB1 ALA 3 3HB ALA 3 7.995 -0.291 0.781 22 HB2 ALA 3 1HB ALA 3 7.559 0.555 -0.704 23 HB3 ALA 3 2HB ALA 3 6.300 0.035 0.417 24 H ARG 4 H ARG 4 5.867 -2.435 1.251 25 HA ARG 4 HA ARG 4 7.823 -3.779 2.690 26 HB2 ARG 4 2HB ARG 4 4.862 -4.372 2.527 27 HB3 ARG 4 3HB ARG 4 5.947 -4.996 3.763 28 HG2 ARG 4 2HG ARG 4 5.904 -3.092 4.929 29 HG3 ARG 4 3HG ARG 4 6.028 -2.090 3.481 30 HD2 ARG 4 2HD ARG 4 3.818 -1.759 3.397 31 HD3 ARG 4 3HD ARG 4 3.468 -3.460 3.704 32 HE ARG 4 HE ARG 4 4.339 -1.985 6.023 33 HH11 ARG 4 1HH1 ARG 4 1.623 -2.968 4.079 34 HH12 ARG 4 2HH1 ARG 4 0.472 -2.781 5.360 35 HH21 ARG 4 2HH2 ARG 4 1.161 -2.079 7.429 36 HH22 ARG 4 1HH2 ARG 4 2.833 -1.735 7.718 37 H GLY 5 H GLY 5 6.196 -4.702 -0.204 38 HA2 GLY 5 2HA GLY 5 7.183 -7.466 0.072 39 HA3 GLY 5 3HA GLY 5 5.892 -6.960 -1.008 40 H TRP 6 H TRP 6 8.209 -4.630 -1.173 41 HA TRP 6 HA TRP 6 9.554 -5.958 -3.435 42 HB2 TRP 6 2HB TRP 6 8.099 -4.323 -4.374 43 HB3 TRP 6 3HB TRP 6 8.564 -3.120 -3.174 44 HD1 TRP 6 HD1 TRP 6 9.419 -1.337 -4.915 45 HE1 TRP 6 HE1 TRP 6 11.470 -1.233 -6.467 46 HE3 TRP 6 HE3 TRP 6 10.924 -6.212 -4.601 47 HZ2 TRP 6 HZ2 TRP 6 13.462 -2.986 -7.431 48 HZ3 TRP 6 HZ3 TRP 6 12.911 -6.919 -5.869 49 HH2 TRP 6 HH2 TRP 6 14.152 -5.337 -7.254 50 H LYS 7 H LYS 7 10.074 -2.826 -1.850 51 HA LYS 7 HA LYS 7 12.861 -3.637 -1.362 52 HB2 LYS 7 2HB LYS 7 11.598 -0.952 -1.875 53 HB3 LYS 7 3HB LYS 7 13.205 -1.097 -1.176 54 HG2 LYS 7 2HG LYS 7 12.305 -2.081 -3.873 55 HG3 LYS 7 3HG LYS 7 13.408 -0.746 -3.534 56 HD2 LYS 7 2HD LYS 7 14.800 -2.569 -2.301 57 HD3 LYS 7 3HD LYS 7 13.859 -3.694 -3.283 58 HE2 LYS 7 2HE LYS 7 14.571 -2.385 -5.298 59 HE3 LYS 7 3HE LYS 7 15.653 -1.473 -4.248 60 HZ1 LYS 7 3HZ LYS 7 16.698 -3.377 -5.441 61 HZ2 LYS 7 1HZ LYS 7 15.748 -4.424 -4.512 62 HZ3 LYS 7 2HZ LYS 7 16.883 -3.421 -3.760 63 H ARG 8 H ARG 8 11.279 -0.867 0.081 64 HA ARG 8 HA ARG 8 11.511 -2.166 2.716 65 HB2 ARG 8 2HB ARG 8 12.037 0.711 1.960 66 HB3 ARG 8 3HB ARG 8 11.939 0.134 3.619 67 HG2 ARG 8 2HG ARG 8 13.926 -0.816 1.565 68 HG3 ARG 8 3HG ARG 8 14.250 0.363 2.837 69 HD2 ARG 8 2HD ARG 8 13.450 -1.471 4.451 70 HD3 ARG 8 3HD ARG 8 13.668 -2.569 3.089 71 HE ARG 8 HE ARG 8 16.017 -1.121 3.329 72 HH11 ARG 8 1HH1 ARG 8 14.164 -3.359 5.247 73 HH12 ARG 8 2HH1 ARG 8 15.545 -3.993 6.078 74 HH21 ARG 8 2HH2 ARG 8 17.638 -3.189 5.606 75 HH22 ARG 8 1HH2 ARG 8 17.843 -1.947 4.416 76 H LYS 9 H LYS 9 10.352 0.971 2.884 77 HA LYS 9 HA LYS 9 7.551 0.063 2.835 78 HB2 LYS 9 2HB LYS 9 7.188 1.688 4.750 79 HB3 LYS 9 3HB LYS 9 8.079 0.222 5.139 80 HG2 LYS 9 2HG LYS 9 10.186 1.618 4.751 81 HG3 LYS 9 3HG LYS 9 9.113 3.018 4.837 82 HD2 LYS 9 2HD LYS 9 9.218 0.902 6.976 83 HD3 LYS 9 3HD LYS 9 10.243 2.338 6.999 84 HE2 LYS 9 2HE LYS 9 8.586 3.499 7.915 85 HE3 LYS 9 3HE LYS 9 7.586 3.185 6.498 86 HZ1 LYS 9 3HZ LYS 9 7.567 0.874 8.039 87 HZ2 LYS 9 1HZ LYS 9 6.289 1.951 7.775 88 HZ3 LYS 9 2HZ LYS 9 7.310 2.161 9.107 89 H CYS 10 H CYS 10 9.631 2.954 2.874 90 HA CYS 10 HA CYS 10 7.590 4.560 1.618 91 HB2 CYS 10 2HB CYS 10 10.151 5.014 2.927 92 HB3 CYS 10 3HB CYS 10 9.976 5.977 1.465 93 HG CYS 10 HG CYS 10 8.594 6.402 4.437 94 HA PRO 11 HA PRO 11 10.696 4.495 -2.068 95 HB2 PRO 11 2HB PRO 11 12.852 2.856 -1.873 96 HB3 PRO 11 3HB PRO 11 12.862 4.528 -1.302 97 HG2 PRO 11 2HG PRO 11 12.491 1.998 0.253 98 HG3 PRO 11 3HG PRO 11 13.460 3.426 0.657 99 HD2 PRO 11 2HD PRO 11 11.013 2.976 1.726 100 HD3 PRO 11 3HD PRO 11 11.630 4.610 1.409 101 H LEU 12 H LEU 12 10.073 3.355 -3.803 102 HA LEU 12 HA LEU 12 9.560 0.473 -3.464 103 HB2 LEU 12 2HB LEU 12 7.535 1.995 -3.659 104 HB3 LEU 12 3HB LEU 12 8.040 2.283 -5.323 105 HG LEU 12 HG LEU 12 7.897 -0.262 -5.605 106 HD11 LEU 12 1HD1 LEU 12 7.266 -1.521 -3.894 107 HD12 LEU 12 2HD1 LEU 12 5.812 -0.550 -3.666 108 HD13 LEU 12 3HD1 LEU 12 7.314 -0.093 -2.862 109 HD21 LEU 12 3HD2 LEU 12 5.739 -0.068 -6.396 110 HD22 LEU 12 1HD2 LEU 12 6.249 1.619 -6.329 111 HD23 LEU 12 2HD2 LEU 12 5.225 0.957 -5.055 112 H PHE 13 H PHE 13 8.747 1.289 -6.523 113 HA PHE 13 HA PHE 13 11.239 0.227 -7.579 114 HB2 PHE 13 2HB PHE 13 8.545 0.767 -8.830 115 HB3 PHE 13 3HB PHE 13 9.938 0.214 -9.755 116 HD1 PHE 13 HD1 PHE 13 7.298 -0.715 -7.463 117 HD2 PHE 13 HD2 PHE 13 10.896 -2.021 -9.326 118 HE1 PHE 13 HE1 PHE 13 6.746 -3.043 -6.890 119 HE2 PHE 13 HE2 PHE 13 10.348 -4.351 -8.756 120 HZ PHE 13 HZ PHE 13 8.271 -4.865 -7.538 121 H GLY 14 H GLY 14 9.179 2.542 -9.249 122 HA2 GLY 14 2HA GLY 14 11.494 4.375 -9.394 123 HA3 GLY 14 3HA GLY 14 10.453 4.051 -10.772 124 H LYS 15 H LYS 15 8.517 4.084 -8.105 125 HA LYS 15 HA LYS 15 7.818 6.907 -8.555 126 HB2 LYS 15 2HB LYS 15 5.573 6.205 -7.598 127 HB3 LYS 15 3HB LYS 15 5.981 5.549 -9.177 128 HG2 LYS 15 2HG LYS 15 6.659 3.950 -6.766 129 HG3 LYS 15 3HG LYS 15 4.972 4.040 -7.277 130 HD2 LYS 15 2HD LYS 15 6.950 3.492 -9.401 131 HD3 LYS 15 3HD LYS 15 6.716 2.213 -8.209 132 HE2 LYS 15 2HE LYS 15 4.682 1.699 -8.997 133 HE3 LYS 15 3HE LYS 15 4.221 3.392 -9.166 134 HZ1 LYS 15 3HZ LYS 15 5.706 3.386 -11.199 135 HZ2 LYS 15 1HZ LYS 15 4.248 2.537 -11.326 136 HZ3 LYS 15 2HZ LYS 15 5.698 1.699 -11.089 137 H GLY 16 H GLY 16 6.077 5.813 -5.995 138 HA2 GLY 16 2HA GLY 16 8.042 6.895 -4.071 139 HA3 GLY 16 3HA GLY 16 6.309 7.167 -3.952 140 H GLY 17 H GLY 17 5.127 5.808 -2.745 141 HA2 GLY 17 2HA GLY 17 4.729 3.410 -2.186 142 HA3 GLY 17 3HA GLY 17 6.451 3.324 -1.844 Start of MODEL 14 1 H21 PTL 1 H1 MET 1 1.978 -0.548 1.041 2 H22 PTL 1 HA MET 1 1.462 -0.196 -0.597 3 H31 PTL 1 2HB MET 1 3.687 0.824 -1.071 4 H32 PTL 1 3HB MET 1 2.769 1.673 0.164 5 H41 PTL 1 2HG MET 1 4.682 -0.404 1.059 6 H42 PTL 1 3HG MET 1 5.337 1.111 0.441 7 H51 PTL 1 H3 MET 1 4.008 2.356 2.065 8 H52 PTL 1 H2 MET 1 5.083 1.180 2.860 9 H53 PTL 1 H4 MET 1 3.347 0.826 2.688 10 H VAL 2 H VAL 2 3.519 -0.749 -2.193 11 HA VAL 2 HA VAL 2 3.719 -3.638 -1.993 12 HB VAL 2 HB VAL 2 4.678 -1.781 -4.176 13 HG11 VAL 2 1HG1 VAL 2 4.849 -4.696 -3.768 14 HG12 VAL 2 2HG1 VAL 2 4.346 -4.167 -5.373 15 HG13 VAL 2 3HG1 VAL 2 5.882 -3.617 -4.704 16 HG21 VAL 2 3HG2 VAL 2 2.502 -3.415 -4.980 17 HG22 VAL 2 1HG2 VAL 2 2.059 -2.627 -3.466 18 HG23 VAL 2 2HG2 VAL 2 2.565 -1.657 -4.850 19 H ALA 3 H ALA 3 5.642 -0.902 -1.299 20 HA ALA 3 HA ALA 3 8.223 -1.936 -1.741 21 HB1 ALA 3 3HB ALA 3 8.568 -0.233 0.360 22 HB2 ALA 3 1HB ALA 3 8.499 0.249 -1.336 23 HB3 ALA 3 2HB ALA 3 7.052 0.346 -0.332 24 H ARG 4 H ARG 4 5.928 -2.369 0.853 25 HA ARG 4 HA ARG 4 7.581 -3.262 2.895 26 HB2 ARG 4 2HB ARG 4 5.656 -4.258 3.865 27 HB3 ARG 4 3HB ARG 4 5.091 -2.834 3.003 28 HG2 ARG 4 2HG ARG 4 4.572 -4.421 1.074 29 HG3 ARG 4 3HG ARG 4 4.784 -5.718 2.252 30 HD2 ARG 4 2HD ARG 4 3.051 -4.722 3.660 31 HD3 ARG 4 3HD ARG 4 2.847 -3.418 2.492 32 HE ARG 4 HE ARG 4 1.605 -4.830 1.183 33 HH11 ARG 4 1HH1 ARG 4 3.320 -6.692 3.573 34 HH12 ARG 4 2HH1 ARG 4 2.497 -8.169 3.201 35 HH21 ARG 4 2HH2 ARG 4 0.902 -8.214 1.558 36 HH22 ARG 4 1HH2 ARG 4 0.515 -6.770 0.685 37 H GLY 5 H GLY 5 6.467 -4.912 0.013 38 HA2 GLY 5 2HA GLY 5 8.046 -7.272 0.842 39 HA3 GLY 5 3HA GLY 5 6.568 -7.394 -0.102 40 H TRP 6 H TRP 6 8.278 -4.696 -1.065 41 HA TRP 6 HA TRP 6 9.411 -6.179 -3.340 42 HB2 TRP 6 2HB TRP 6 7.723 -4.657 -4.092 43 HB3 TRP 6 3HB TRP 6 8.387 -3.346 -3.122 44 HD1 TRP 6 HD1 TRP 6 8.982 -1.669 -5.021 45 HE1 TRP 6 HE1 TRP 6 10.618 -1.714 -7.008 46 HE3 TRP 6 HE3 TRP 6 10.279 -6.613 -4.896 47 HZ2 TRP 6 HZ2 TRP 6 12.242 -3.595 -8.346 48 HZ3 TRP 6 HZ3 TRP 6 11.879 -7.456 -6.564 49 HH2 TRP 6 HH2 TRP 6 12.839 -5.976 -8.253 50 H LYS 7 H LYS 7 10.004 -3.154 -1.538 51 HA LYS 7 HA LYS 7 12.891 -3.711 -1.760 52 HB2 LYS 7 2HB LYS 7 11.339 -1.310 -2.394 53 HB3 LYS 7 3HB LYS 7 12.714 -0.994 -1.343 54 HG2 LYS 7 2HG LYS 7 13.098 -0.792 -3.840 55 HG3 LYS 7 3HG LYS 7 14.252 -1.771 -2.930 56 HD2 LYS 7 2HD LYS 7 13.205 -3.798 -3.667 57 HD3 LYS 7 3HD LYS 7 11.878 -2.900 -4.409 58 HE2 LYS 7 2HE LYS 7 13.717 -3.778 -5.950 59 HE3 LYS 7 3HE LYS 7 13.243 -2.090 -6.131 60 HZ1 LYS 7 3HZ LYS 7 15.217 -1.353 -5.347 61 HZ2 LYS 7 1HZ LYS 7 15.758 -2.841 -5.943 62 HZ3 LYS 7 2HZ LYS 7 15.434 -2.657 -4.292 63 H ARG 8 H ARG 8 11.362 -1.107 0.034 64 HA ARG 8 HA ARG 8 12.184 -2.419 2.542 65 HB2 ARG 8 2HB ARG 8 12.454 0.469 1.716 66 HB3 ARG 8 3HB ARG 8 12.564 -0.051 3.393 67 HG2 ARG 8 2HG ARG 8 14.661 -0.745 3.142 68 HG3 ARG 8 3HG ARG 8 14.282 -1.603 1.647 69 HD2 ARG 8 2HD ARG 8 14.166 0.898 0.729 70 HD3 ARG 8 3HD ARG 8 15.290 1.154 2.063 71 HE ARG 8 HE ARG 8 16.020 -1.080 0.440 72 HH11 ARG 8 1HH1 ARG 8 16.144 2.392 0.670 73 HH12 ARG 8 2HH1 ARG 8 17.561 2.536 -0.316 74 HH21 ARG 8 2HH2 ARG 8 18.551 0.663 -1.186 75 HH22 ARG 8 1HH2 ARG 8 17.886 -0.902 -0.859 76 H LYS 9 H LYS 9 10.800 0.696 2.734 77 HA LYS 9 HA LYS 9 8.190 -0.469 3.458 78 HB2 LYS 9 2HB LYS 9 9.700 1.779 4.798 79 HB3 LYS 9 3HB LYS 9 8.017 1.394 5.138 80 HG2 LYS 9 2HG LYS 9 8.674 -0.083 6.644 81 HG3 LYS 9 3HG LYS 9 9.485 -1.006 5.377 82 HD2 LYS 9 2HD LYS 9 11.335 -0.582 6.589 83 HD3 LYS 9 3HD LYS 9 11.276 0.987 5.781 84 HE2 LYS 9 2HE LYS 9 9.904 1.824 7.699 85 HE3 LYS 9 3HE LYS 9 10.209 0.292 8.514 86 HZ1 LYS 9 3HZ LYS 9 12.620 1.485 7.568 87 HZ2 LYS 9 1HZ LYS 9 12.214 0.975 9.129 88 HZ3 LYS 9 2HZ LYS 9 11.787 2.526 8.609 89 H CYS 10 H CYS 10 9.478 2.829 3.054 90 HA CYS 10 HA CYS 10 7.080 3.696 1.746 91 HB2 CYS 10 2HB CYS 10 9.505 4.924 2.813 92 HB3 CYS 10 3HB CYS 10 8.975 5.669 1.308 93 HG CYS 10 HG CYS 10 6.915 6.937 2.242 94 HA PRO 11 HA PRO 11 9.903 4.092 -2.135 95 HB2 PRO 11 2HB PRO 11 12.452 3.174 -1.953 96 HB3 PRO 11 3HB PRO 11 11.996 4.830 -1.539 97 HG2 PRO 11 2HG PRO 11 12.454 2.485 0.265 98 HG3 PRO 11 3HG PRO 11 12.977 4.168 0.462 99 HD2 PRO 11 2HD PRO 11 10.822 3.152 1.748 100 HD3 PRO 11 3HD PRO 11 10.916 4.849 1.237 101 H LEU 12 H LEU 12 9.346 2.627 -3.611 102 HA LEU 12 HA LEU 12 9.896 -0.214 -3.057 103 HB2 LEU 12 2HB LEU 12 7.775 -0.018 -4.903 104 HB3 LEU 12 3HB LEU 12 7.736 -0.641 -3.254 105 HG LEU 12 HG LEU 12 7.382 1.819 -2.567 106 HD11 LEU 12 1HD1 LEU 12 6.419 3.271 -4.187 107 HD12 LEU 12 2HD1 LEU 12 6.424 2.005 -5.414 108 HD13 LEU 12 3HD1 LEU 12 7.948 2.687 -4.845 109 HD21 LEU 12 3HD2 LEU 12 4.913 1.220 -3.864 110 HD22 LEU 12 1HD2 LEU 12 5.342 1.051 -2.162 111 HD23 LEU 12 2HD2 LEU 12 5.635 -0.281 -3.281 112 H PHE 13 H PHE 13 8.560 1.264 -5.967 113 HA PHE 13 HA PHE 13 10.799 0.142 -7.488 114 HB2 PHE 13 2HB PHE 13 8.201 1.239 -8.571 115 HB3 PHE 13 3HB PHE 13 9.379 0.245 -9.423 116 HD1 PHE 13 HD1 PHE 13 6.924 0.224 -6.652 117 HD2 PHE 13 HD2 PHE 13 9.257 -2.091 -9.357 118 HE1 PHE 13 HE1 PHE 13 5.701 -1.800 -5.970 119 HE2 PHE 13 HE2 PHE 13 8.038 -4.118 -8.680 120 HZ PHE 13 HZ PHE 13 6.257 -3.974 -6.985 121 H GLY 14 H GLY 14 9.173 2.421 -9.293 122 HA2 GLY 14 2HA GLY 14 11.284 4.423 -8.770 123 HA3 GLY 14 3HA GLY 14 10.622 4.096 -10.366 124 H LYS 15 H LYS 15 8.412 4.112 -7.735 125 HA LYS 15 HA LYS 15 7.294 6.636 -8.727 126 HB2 LYS 15 2HB LYS 15 5.983 4.608 -6.912 127 HB3 LYS 15 3HB LYS 15 5.204 5.947 -7.744 128 HG2 LYS 15 2HG LYS 15 4.636 4.354 -9.217 129 HG3 LYS 15 3HG LYS 15 6.259 4.639 -9.847 130 HD2 LYS 15 2HD LYS 15 7.038 2.830 -8.243 131 HD3 LYS 15 3HD LYS 15 5.332 2.445 -8.007 132 HE2 LYS 15 2HE LYS 15 5.618 2.578 -10.758 133 HE3 LYS 15 3HE LYS 15 7.102 1.796 -10.216 134 HZ1 LYS 15 3HZ LYS 15 5.555 0.085 -10.567 135 HZ2 LYS 15 1HZ LYS 15 4.313 0.912 -9.771 136 HZ3 LYS 15 2HZ LYS 15 5.610 0.284 -8.888 137 H GLY 16 H GLY 16 5.869 6.099 -5.852 138 HA2 GLY 16 2HA GLY 16 7.816 7.790 -4.408 139 HA3 GLY 16 3HA GLY 16 6.079 8.029 -4.298 140 H GLY 17 H GLY 17 4.962 5.743 -3.752 141 HA2 GLY 17 2HA GLY 17 5.792 3.701 -2.351 142 HA3 GLY 17 3HA GLY 17 6.194 4.972 -1.205 Start of MODEL 15 1 H21 PTL 1 HA2 MET 1 1.294 -1.677 0.169 2 H22 PTL 1 HA3 MET 1 2.663 -1.073 1.148 3 H31 PTL 1 2HB MET 1 0.666 -2.284 2.321 4 H32 PTL 1 3HB MET 1 1.442 -3.748 1.734 5 H41 PTL 1 2HG MET 1 2.260 -3.483 3.894 6 H42 PTL 1 3HG MET 1 3.553 -2.879 2.860 7 H51 PTL 1 2 MET 1 1.680 -0.792 3.593 8 H52 PTL 1 3 MET 1 2.414 -1.573 5.013 9 H53 PTL 1 H1 MET 1 3.451 -0.851 3.762 10 H VAL 2 H VAL 2 2.611 -1.899 -1.683 11 HA VAL 2 HA VAL 2 3.795 -4.414 -2.060 12 HB VAL 2 HB VAL 2 4.044 -1.899 -3.712 13 HG11 VAL 2 1HG1 VAL 2 4.544 -3.776 -5.500 14 HG12 VAL 2 2HG1 VAL 2 5.832 -3.069 -4.523 15 HG13 VAL 2 3HG1 VAL 2 5.149 -4.635 -4.084 16 HG21 VAL 2 3HG2 VAL 2 1.791 -2.559 -3.710 17 HG22 VAL 2 1HG2 VAL 2 2.457 -3.241 -5.195 18 HG23 VAL 2 2HG2 VAL 2 2.204 -4.273 -3.787 19 H ALA 3 H ALA 3 5.077 -1.460 -0.843 20 HA ALA 3 HA ALA 3 7.801 -1.809 -1.474 21 HB1 ALA 3 3HB ALA 3 7.889 -0.421 0.855 22 HB2 ALA 3 1HB ALA 3 7.576 0.297 -0.726 23 HB3 ALA 3 2HB ALA 3 6.230 -0.116 0.338 24 H ARG 4 H ARG 4 5.942 -2.683 1.432 25 HA ARG 4 HA ARG 4 8.038 -3.770 2.914 26 HB2 ARG 4 2HB ARG 4 5.951 -3.358 3.993 27 HB3 ARG 4 3HB ARG 4 5.090 -4.404 2.872 28 HG2 ARG 4 2HG ARG 4 7.246 -5.638 4.480 29 HG3 ARG 4 3HG ARG 4 5.768 -5.170 5.324 30 HD2 ARG 4 2HD ARG 4 5.019 -6.452 2.911 31 HD3 ARG 4 3HD ARG 4 6.247 -7.451 3.688 32 HE ARG 4 HE ARG 4 4.502 -6.817 5.692 33 HH11 ARG 4 1HH1 ARG 4 4.231 -8.324 2.566 34 HH12 ARG 4 2HH1 ARG 4 2.888 -9.322 3.019 35 HH21 ARG 4 2HH2 ARG 4 2.038 -9.207 5.142 36 HH22 ARG 4 1HH2 ARG 4 2.735 -8.125 6.300 37 H GLY 5 H GLY 5 6.507 -4.944 0.090 38 HA2 GLY 5 2HA GLY 5 7.739 -7.599 0.507 39 HA3 GLY 5 3HA GLY 5 6.289 -7.337 -0.450 40 H TRP 6 H TRP 6 8.421 -4.819 -0.948 41 HA TRP 6 HA TRP 6 9.540 -6.138 -3.336 42 HB2 TRP 6 2HB TRP 6 7.850 -4.547 -4.021 43 HB3 TRP 6 3HB TRP 6 8.573 -3.291 -3.019 44 HD1 TRP 6 HD1 TRP 6 9.224 -1.602 -4.894 45 HE1 TRP 6 HE1 TRP 6 10.863 -1.669 -6.877 46 HE3 TRP 6 HE3 TRP 6 10.343 -6.590 -4.853 47 HZ2 TRP 6 HZ2 TRP 6 12.424 -3.583 -8.243 48 HZ3 TRP 6 HZ3 TRP 6 11.919 -7.459 -6.532 49 HH2 TRP 6 HH2 TRP 6 12.935 -5.985 -8.191 50 H LYS 7 H LYS 7 10.114 -2.956 -1.876 51 HA LYS 7 HA LYS 7 12.971 -3.643 -1.719 52 HB2 LYS 7 2HB LYS 7 11.509 -1.228 -2.526 53 HB3 LYS 7 3HB LYS 7 12.853 -0.917 -1.434 54 HG2 LYS 7 2HG LYS 7 13.416 -0.780 -3.859 55 HG3 LYS 7 3HG LYS 7 14.409 -1.908 -2.933 56 HD2 LYS 7 2HD LYS 7 12.043 -3.190 -4.011 57 HD3 LYS 7 3HD LYS 7 13.021 -2.448 -5.281 58 HE2 LYS 7 2HE LYS 7 14.254 -4.173 -3.157 59 HE3 LYS 7 3HE LYS 7 13.536 -4.874 -4.606 60 HZ1 LYS 7 3HZ LYS 7 15.603 -2.758 -4.733 61 HZ2 LYS 7 1HZ LYS 7 15.084 -3.789 -5.971 62 HZ3 LYS 7 2HZ LYS 7 15.997 -4.403 -4.687 63 H ARG 8 H ARG 8 11.308 -0.972 -0.135 64 HA ARG 8 HA ARG 8 12.026 -2.153 2.468 65 HB2 ARG 8 2HB ARG 8 12.096 0.755 1.640 66 HB3 ARG 8 3HB ARG 8 12.348 0.177 3.282 67 HG2 ARG 8 2HG ARG 8 14.429 -0.625 2.834 68 HG3 ARG 8 3HG ARG 8 14.054 -0.963 1.144 69 HD2 ARG 8 2HD ARG 8 14.867 1.005 0.500 70 HD3 ARG 8 3HD ARG 8 13.881 1.861 1.684 71 HE ARG 8 HE ARG 8 15.939 0.807 3.136 72 HH11 ARG 8 1HH1 ARG 8 15.696 2.881 0.351 73 HH12 ARG 8 2HH1 ARG 8 17.163 3.735 0.697 74 HH21 ARG 8 2HH2 ARG 8 18.401 3.189 2.546 75 HH22 ARG 8 1HH2 ARG 8 17.872 1.923 3.602 76 H LYS 9 H LYS 9 10.586 0.819 2.836 77 HA LYS 9 HA LYS 9 7.900 -0.364 3.092 78 HB2 LYS 9 2HB LYS 9 7.619 1.206 5.072 79 HB3 LYS 9 3HB LYS 9 8.672 -0.180 5.319 80 HG2 LYS 9 2HG LYS 9 10.593 1.394 4.729 81 HG3 LYS 9 3HG LYS 9 9.425 2.697 4.952 82 HD2 LYS 9 2HD LYS 9 9.929 0.590 7.040 83 HD3 LYS 9 3HD LYS 9 10.846 2.096 6.966 84 HE2 LYS 9 2HE LYS 9 8.901 3.399 7.345 85 HE3 LYS 9 3HE LYS 9 7.840 2.015 7.088 86 HZ1 LYS 9 3HZ LYS 9 8.835 1.004 9.098 87 HZ2 LYS 9 1HZ LYS 9 8.001 2.441 9.417 88 HZ3 LYS 9 2HZ LYS 9 9.691 2.438 9.370 89 H CYS 10 H CYS 10 9.667 2.727 2.964 90 HA CYS 10 HA CYS 10 7.336 4.114 1.970 91 HB2 CYS 10 2HB CYS 10 9.870 4.839 3.135 92 HB3 CYS 10 3HB CYS 10 9.613 5.743 1.648 93 HG CYS 10 HG CYS 10 6.821 5.826 3.326 94 HA PRO 11 HA PRO 11 10.058 4.493 -1.989 95 HB2 PRO 11 2HB PRO 11 12.408 3.135 -2.044 96 HB3 PRO 11 3HB PRO 11 12.267 4.785 -1.429 97 HG2 PRO 11 2HG PRO 11 12.361 2.202 0.081 98 HG3 PRO 11 3HG PRO 11 13.181 3.734 0.434 99 HD2 PRO 11 2HD PRO 11 10.923 2.962 1.713 100 HD3 PRO 11 3HD PRO 11 11.300 4.665 1.387 101 H LEU 12 H LEU 12 9.599 3.291 -3.760 102 HA LEU 12 HA LEU 12 9.321 0.379 -3.394 103 HB2 LEU 12 2HB LEU 12 7.187 1.763 -3.603 104 HB3 LEU 12 3HB LEU 12 7.661 2.026 -5.280 105 HG LEU 12 HG LEU 12 7.674 -0.505 -5.517 106 HD11 LEU 12 1HD1 LEU 12 5.732 -0.906 -3.431 107 HD12 LEU 12 2HD1 LEU 12 7.277 -0.386 -2.759 108 HD13 LEU 12 3HD1 LEU 12 7.201 -1.814 -3.790 109 HD21 LEU 12 3HD2 LEU 12 5.494 -0.482 -6.230 110 HD22 LEU 12 1HD2 LEU 12 5.814 1.248 -6.118 111 HD23 LEU 12 2HD2 LEU 12 4.929 0.430 -4.831 112 H PHE 13 H PHE 13 8.430 1.048 -6.451 113 HA PHE 13 HA PHE 13 10.889 0.046 -7.548 114 HB2 PHE 13 2HB PHE 13 8.237 0.830 -8.742 115 HB3 PHE 13 3HB PHE 13 9.607 0.379 -9.751 116 HD1 PHE 13 HD1 PHE 13 7.109 -0.804 -7.362 117 HD2 PHE 13 HD2 PHE 13 10.403 -1.899 -9.827 118 HE1 PHE 13 HE1 PHE 13 6.524 -3.178 -7.086 119 HE2 PHE 13 HE2 PHE 13 9.821 -4.274 -9.556 120 HZ PHE 13 HZ PHE 13 7.879 -4.916 -8.185 121 H GLY 14 H GLY 14 9.166 2.489 -9.324 122 HA2 GLY 14 2HA GLY 14 11.509 4.274 -9.066 123 HA3 GLY 14 3HA GLY 14 10.716 3.976 -10.606 124 H LYS 15 H LYS 15 8.548 4.118 -8.009 125 HA LYS 15 HA LYS 15 7.788 6.852 -8.785 126 HB2 LYS 15 2HB LYS 15 5.551 6.157 -7.726 127 HB3 LYS 15 3HB LYS 15 5.974 5.456 -9.282 128 HG2 LYS 15 2HG LYS 15 6.725 3.977 -6.815 129 HG3 LYS 15 3HG LYS 15 5.033 3.984 -7.318 130 HD2 LYS 15 2HD LYS 15 7.055 3.416 -9.408 131 HD3 LYS 15 3HD LYS 15 6.801 2.171 -8.183 132 HE2 LYS 15 2HE LYS 15 4.730 1.674 -8.933 133 HE3 LYS 15 3HE LYS 15 4.356 3.351 -9.329 134 HZ1 LYS 15 3HZ LYS 15 4.672 2.799 -11.439 135 HZ2 LYS 15 1HZ LYS 15 5.268 1.269 -11.031 136 HZ3 LYS 15 2HZ LYS 15 6.317 2.595 -11.103 137 H GLY 16 H GLY 16 6.125 5.779 -6.084 138 HA2 GLY 16 2HA GLY 16 7.960 7.253 -4.294 139 HA3 GLY 16 3HA GLY 16 6.211 7.406 -4.205 140 H GLY 17 H GLY 17 5.175 5.021 -4.117 141 HA2 GLY 17 2HA GLY 17 5.107 2.947 -3.037 142 HA3 GLY 17 3HA GLY 17 6.706 3.262 -2.379 Start of MODEL 16 1 H21 PTL 1 HA2 MET 1 1.332 -1.753 1.432 2 H22 PTL 1 HA3 MET 1 0.563 -1.569 -0.172 3 H31 PTL 1 2HB MET 1 2.449 -0.009 -0.771 4 H32 PTL 1 3HB MET 1 1.343 0.590 0.459 5 H41 PTL 1 2HG MET 1 2.989 -0.199 2.180 6 H42 PTL 1 3HG MET 1 4.109 -0.511 0.857 7 H51 PTL 1 2 MET 1 4.393 1.721 0.382 8 H52 PTL 1 3 MET 1 2.836 2.176 1.115 9 H53 PTL 1 H1 MET 1 4.213 1.741 2.153 10 H VAL 2 H VAL 2 2.372 -1.682 -1.998 11 HA VAL 2 HA VAL 2 3.319 -4.365 -1.960 12 HB VAL 2 HB VAL 2 2.620 -2.830 -3.979 13 HG11 VAL 2 1HG1 VAL 2 4.429 -1.821 -5.160 14 HG12 VAL 2 2HG1 VAL 2 4.472 -1.209 -3.505 15 HG13 VAL 2 3HG1 VAL 2 5.609 -2.458 -4.014 16 HG21 VAL 2 3HG2 VAL 2 3.247 -4.559 -5.279 17 HG22 VAL 2 1HG2 VAL 2 4.927 -4.483 -4.746 18 HG23 VAL 2 2HG2 VAL 2 3.720 -5.294 -3.747 19 H ALA 3 H ALA 3 4.657 -1.386 -0.952 20 HA ALA 3 HA ALA 3 7.361 -1.636 -1.394 21 HB1 ALA 3 3HB ALA 3 7.665 -0.020 0.206 22 HB2 ALA 3 1HB ALA 3 5.950 0.191 -0.149 23 HB3 ALA 3 2HB ALA 3 6.450 -0.705 1.286 24 H ARG 4 H ARG 4 5.578 -2.852 1.448 25 HA ARG 4 HA ARG 4 7.704 -4.112 2.715 26 HB2 ARG 4 2HB ARG 4 6.110 -5.232 4.035 27 HB3 ARG 4 3HB ARG 4 5.329 -3.725 3.575 28 HG2 ARG 4 2HG ARG 4 4.291 -5.073 1.658 29 HG3 ARG 4 3HG ARG 4 4.797 -6.495 2.572 30 HD2 ARG 4 2HD ARG 4 3.602 -5.306 4.555 31 HD3 ARG 4 3HD ARG 4 2.791 -4.395 3.283 32 HE ARG 4 HE ARG 4 1.522 -6.239 2.852 33 HH11 ARG 4 1HH1 ARG 4 4.385 -7.236 4.561 34 HH12 ARG 4 2HH1 ARG 4 3.876 -8.885 4.716 35 HH21 ARG 4 2HH2 ARG 4 1.860 -9.550 3.855 36 HH22 ARG 4 1HH2 ARG 4 0.841 -8.406 3.050 37 H GLY 5 H GLY 5 5.956 -5.032 -0.117 38 HA2 GLY 5 2HA GLY 5 7.123 -7.733 -0.031 39 HA3 GLY 5 3HA GLY 5 5.782 -7.237 -1.053 40 H TRP 6 H TRP 6 7.995 -4.795 -1.131 41 HA TRP 6 HA TRP 6 9.289 -5.911 -3.533 42 HB2 TRP 6 2HB TRP 6 7.757 -4.185 -4.205 43 HB3 TRP 6 3HB TRP 6 8.367 -3.088 -2.970 44 HD1 TRP 6 HD1 TRP 6 9.272 -1.186 -4.499 45 HE1 TRP 6 HE1 TRP 6 11.130 -1.040 -6.274 46 HE3 TRP 6 HE3 TRP 6 10.289 -6.169 -5.023 47 HZ2 TRP 6 HZ2 TRP 6 12.806 -2.803 -7.706 48 HZ3 TRP 6 HZ3 TRP 6 12.033 -6.855 -6.617 49 HH2 TRP 6 HH2 TRP 6 13.263 -5.206 -7.930 50 H LYS 7 H LYS 7 9.886 -2.909 -1.748 51 HA LYS 7 HA LYS 7 12.633 -3.853 -1.247 52 HB2 LYS 7 2HB LYS 7 11.614 -1.100 -1.942 53 HB3 LYS 7 3HB LYS 7 13.217 -1.376 -1.273 54 HG2 LYS 7 2HG LYS 7 12.136 -2.406 -3.886 55 HG3 LYS 7 3HG LYS 7 13.390 -1.186 -3.651 56 HD2 LYS 7 2HD LYS 7 14.726 -2.969 -2.459 57 HD3 LYS 7 3HD LYS 7 13.533 -4.132 -3.042 58 HE2 LYS 7 2HE LYS 7 14.376 -4.119 -5.117 59 HE3 LYS 7 3HE LYS 7 14.549 -2.364 -5.130 60 HZ1 LYS 7 3HZ LYS 7 16.426 -4.284 -3.859 61 HZ2 LYS 7 1HZ LYS 7 16.589 -2.600 -3.846 62 HZ3 LYS 7 2HZ LYS 7 16.692 -3.448 -5.306 63 H ARG 8 H ARG 8 11.321 -0.846 -0.057 64 HA ARG 8 HA ARG 8 11.309 -1.968 2.667 65 HB2 ARG 8 2HB ARG 8 12.215 0.771 1.765 66 HB3 ARG 8 3HB ARG 8 12.039 0.285 3.446 67 HG2 ARG 8 2HG ARG 8 13.827 -1.221 3.318 68 HG3 ARG 8 3HG ARG 8 13.821 -1.207 1.553 69 HD2 ARG 8 2HD ARG 8 15.392 0.363 1.627 70 HD3 ARG 8 3HD ARG 8 14.194 1.455 2.322 71 HE ARG 8 HE ARG 8 15.321 -0.173 4.338 72 HH11 ARG 8 1HH1 ARG 8 16.062 2.534 2.278 73 HH12 ARG 8 2HH1 ARG 8 17.207 3.225 3.380 74 HH21 ARG 8 2HH2 ARG 8 17.642 2.196 5.380 75 HH22 ARG 8 1HH2 ARG 8 16.827 0.727 5.796 76 H LYS 9 H LYS 9 10.584 1.280 2.661 77 HA LYS 9 HA LYS 9 7.687 0.753 2.545 78 HB2 LYS 9 2HB LYS 9 9.186 2.531 4.476 79 HB3 LYS 9 3HB LYS 9 7.434 2.462 4.343 80 HG2 LYS 9 2HG LYS 9 7.382 0.765 5.755 81 HG3 LYS 9 3HG LYS 9 8.399 -0.188 4.671 82 HD2 LYS 9 2HD LYS 9 10.395 0.690 5.691 83 HD3 LYS 9 3HD LYS 9 9.448 1.806 6.677 84 HE2 LYS 9 2HE LYS 9 8.882 0.209 8.166 85 HE3 LYS 9 3HE LYS 9 8.715 -1.033 6.927 86 HZ1 LYS 9 3HZ LYS 9 11.408 -0.410 7.052 87 HZ2 LYS 9 1HZ LYS 9 10.657 -1.827 7.589 88 HZ3 LYS 9 2HZ LYS 9 10.892 -0.538 8.659 89 H CYS 10 H CYS 10 10.215 3.227 2.268 90 HA CYS 10 HA CYS 10 8.387 4.930 0.749 91 HB2 CYS 10 2HB CYS 10 10.710 5.382 2.436 92 HB3 CYS 10 3HB CYS 10 10.859 6.211 0.891 93 HG CYS 10 HG CYS 10 8.569 7.718 1.156 94 HA PRO 11 HA PRO 11 12.003 4.488 -2.392 95 HB2 PRO 11 2HB PRO 11 14.096 2.898 -1.717 96 HB3 PRO 11 3HB PRO 11 14.028 4.617 -1.313 97 HG2 PRO 11 2HG PRO 11 13.412 2.243 0.403 98 HG3 PRO 11 3HG PRO 11 14.314 3.714 0.810 99 HD2 PRO 11 2HD PRO 11 11.731 3.342 1.533 100 HD3 PRO 11 3HD PRO 11 12.397 4.945 1.158 101 H LEU 12 H LEU 12 10.064 3.201 -3.058 102 HA LEU 12 HA LEU 12 10.352 0.316 -2.974 103 HB2 LEU 12 2HB LEU 12 8.265 2.208 -3.978 104 HB3 LEU 12 3HB LEU 12 8.247 0.521 -4.486 105 HG LEU 12 HG LEU 12 8.244 -0.021 -1.970 106 HD11 LEU 12 1HD1 LEU 12 8.711 1.953 -0.878 107 HD12 LEU 12 2HD1 LEU 12 6.952 1.890 -0.769 108 HD13 LEU 12 3HD1 LEU 12 7.724 2.920 -1.974 109 HD21 LEU 12 3HD2 LEU 12 6.071 0.876 -3.736 110 HD22 LEU 12 1HD2 LEU 12 5.673 0.824 -2.019 111 HD23 LEU 12 2HD2 LEU 12 6.257 -0.628 -2.832 112 H PHE 13 H PHE 13 9.013 1.648 -5.842 113 HA PHE 13 HA PHE 13 11.163 0.433 -7.401 114 HB2 PHE 13 2HB PHE 13 8.401 1.392 -8.170 115 HB3 PHE 13 3HB PHE 13 9.572 0.755 -9.322 116 HD1 PHE 13 HD1 PHE 13 7.272 -0.052 -6.611 117 HD2 PHE 13 HD2 PHE 13 10.150 -1.600 -9.339 118 HE1 PHE 13 HE1 PHE 13 6.489 -2.336 -6.135 119 HE2 PHE 13 HE2 PHE 13 9.371 -3.886 -8.867 120 HZ PHE 13 HZ PHE 13 7.538 -4.257 -7.265 121 H GLY 14 H GLY 14 9.287 2.856 -8.941 122 HA2 GLY 14 2HA GLY 14 11.592 4.704 -8.838 123 HA3 GLY 14 3HA GLY 14 10.698 4.388 -10.318 124 H LYS 15 H LYS 15 8.559 4.395 -7.777 125 HA LYS 15 HA LYS 15 7.823 7.190 -8.334 126 HB2 LYS 15 2HB LYS 15 5.545 6.473 -7.511 127 HB3 LYS 15 3HB LYS 15 6.069 5.739 -9.021 128 HG2 LYS 15 2HG LYS 15 6.624 4.286 -6.492 129 HG3 LYS 15 3HG LYS 15 4.967 4.318 -7.097 130 HD2 LYS 15 2HD LYS 15 7.093 3.684 -9.058 131 HD3 LYS 15 3HD LYS 15 6.756 2.463 -7.828 132 HE2 LYS 15 2HE LYS 15 4.300 2.759 -8.466 133 HE3 LYS 15 3HE LYS 15 4.894 3.617 -9.886 134 HZ1 LYS 15 3HZ LYS 15 6.185 1.084 -9.434 135 HZ2 LYS 15 1HZ LYS 15 5.521 1.723 -10.853 136 HZ3 LYS 15 2HZ LYS 15 4.524 0.950 -9.727 137 H GLY 16 H GLY 16 5.942 6.200 -5.864 138 HA2 GLY 16 2HA GLY 16 7.818 7.248 -3.834 139 HA3 GLY 16 3HA GLY 16 6.112 7.668 -3.868 140 H GLY 17 H GLY 17 5.052 5.107 -4.403 141 HA2 GLY 17 2HA GLY 17 4.247 3.323 -3.200 142 HA3 GLY 17 3HA GLY 17 5.940 3.007 -2.852 Start of MODEL 17 1 H21 PTL 1 H1 MET 1 2.005 0.194 0.581 2 H22 PTL 1 HA MET 1 1.753 0.497 -1.127 3 H31 PTL 1 2HB MET 1 4.462 0.844 0.146 4 H32 PTL 1 3HB MET 1 3.921 1.425 -1.423 5 H41 PTL 1 2HG MET 1 3.645 3.373 -0.378 6 H42 PTL 1 3HG MET 1 2.159 2.652 0.235 7 H51 PTL 1 H3 MET 1 3.331 1.929 2.249 8 H52 PTL 1 H2 MET 1 3.439 3.691 2.025 9 H53 PTL 1 H4 MET 1 4.833 2.657 1.629 10 H VAL 2 H VAL 2 3.768 -0.456 -2.477 11 HA VAL 2 HA VAL 2 3.626 -3.317 -2.015 12 HB VAL 2 HB VAL 2 4.851 -1.740 -4.283 13 HG11 VAL 2 1HG1 VAL 2 4.928 -4.599 -3.593 14 HG12 VAL 2 2HG1 VAL 2 4.492 -4.234 -5.263 15 HG13 VAL 2 3HG1 VAL 2 6.016 -3.642 -4.599 16 HG21 VAL 2 3HG2 VAL 2 2.290 -1.814 -3.894 17 HG22 VAL 2 1HG2 VAL 2 2.923 -2.149 -5.505 18 HG23 VAL 2 2HG2 VAL 2 2.420 -3.478 -4.462 19 H ALA 3 H ALA 3 5.843 -0.740 -1.525 20 HA ALA 3 HA ALA 3 8.317 -1.954 -1.711 21 HB1 ALA 3 3HB ALA 3 8.596 0.240 -1.241 22 HB2 ALA 3 1HB ALA 3 7.208 0.298 -0.154 23 HB3 ALA 3 2HB ALA 3 8.740 -0.368 0.408 24 H ARG 4 H ARG 4 5.901 -2.219 0.827 25 HA ARG 4 HA ARG 4 7.347 -3.329 2.884 26 HB2 ARG 4 2HB ARG 4 4.980 -2.780 3.085 27 HB3 ARG 4 3HB ARG 4 4.565 -4.070 1.965 28 HG2 ARG 4 2HG ARG 4 4.156 -4.632 4.341 29 HG3 ARG 4 3HG ARG 4 5.265 -5.740 3.531 30 HD2 ARG 4 2HD ARG 4 6.926 -5.244 4.934 31 HD3 ARG 4 3HD ARG 4 6.658 -3.511 4.749 32 HE ARG 4 HE ARG 4 5.776 -5.162 6.902 33 HH11 ARG 4 1HH1 ARG 4 4.991 -2.334 5.030 34 HH12 ARG 4 2HH1 ARG 4 4.065 -1.595 6.293 35 HH21 ARG 4 2HH2 ARG 4 3.820 -2.655 8.309 36 HH22 ARG 4 1HH2 ARG 4 4.559 -4.200 8.574 37 H GLY 5 H GLY 5 6.309 -4.821 -0.113 38 HA2 GLY 5 2HA GLY 5 7.707 -7.291 0.717 39 HA3 GLY 5 3HA GLY 5 6.277 -7.300 -0.304 40 H TRP 6 H TRP 6 8.393 -4.722 -0.939 41 HA TRP 6 HA TRP 6 9.545 -6.194 -3.218 42 HB2 TRP 6 2HB TRP 6 7.978 -4.680 -4.149 43 HB3 TRP 6 3HB TRP 6 8.469 -3.383 -3.064 44 HD1 TRP 6 HD1 TRP 6 9.134 -1.660 -4.930 45 HE1 TRP 6 HE1 TRP 6 11.041 -1.565 -6.655 46 HE3 TRP 6 HE3 TRP 6 10.821 -6.470 -4.539 47 HZ2 TRP 6 HZ2 TRP 6 13.001 -3.300 -7.711 48 HZ3 TRP 6 HZ3 TRP 6 12.716 -7.172 -5.942 49 HH2 TRP 6 HH2 TRP 6 13.782 -5.620 -7.495 50 H LYS 7 H LYS 7 10.133 -2.937 -1.938 51 HA LYS 7 HA LYS 7 12.995 -3.526 -1.893 52 HB2 LYS 7 2HB LYS 7 11.348 -1.042 -2.007 53 HB3 LYS 7 3HB LYS 7 12.951 -0.938 -1.291 54 HG2 LYS 7 2HG LYS 7 12.250 -1.794 -4.087 55 HG3 LYS 7 3HG LYS 7 13.132 -0.349 -3.588 56 HD2 LYS 7 2HD LYS 7 14.819 -1.994 -2.551 57 HD3 LYS 7 3HD LYS 7 14.032 -3.212 -3.558 58 HE2 LYS 7 2HE LYS 7 14.422 -1.287 -5.389 59 HE3 LYS 7 3HE LYS 7 15.780 -0.952 -4.315 60 HZ1 LYS 7 3HZ LYS 7 15.787 -3.673 -4.638 61 HZ2 LYS 7 1HZ LYS 7 16.838 -2.570 -5.375 62 HZ3 LYS 7 2HZ LYS 7 15.441 -3.076 -6.182 63 H ARG 8 H ARG 8 11.526 -1.126 0.173 64 HA ARG 8 HA ARG 8 12.299 -2.722 2.526 65 HB2 ARG 8 2HB ARG 8 12.527 -0.188 3.449 66 HB3 ARG 8 3HB ARG 8 13.869 -1.117 2.794 67 HG2 ARG 8 2HG ARG 8 13.446 -0.091 0.582 68 HG3 ARG 8 3HG ARG 8 12.196 0.908 1.325 69 HD2 ARG 8 2HD ARG 8 15.021 0.864 2.346 70 HD3 ARG 8 3HD ARG 8 14.515 1.938 1.042 71 HE ARG 8 HE ARG 8 13.263 3.171 2.563 72 HH11 ARG 8 1HH1 ARG 8 14.662 0.363 4.073 73 HH12 ARG 8 2HH1 ARG 8 14.343 0.910 5.686 74 HH21 ARG 8 2HH2 ARG 8 13.305 2.923 6.031 75 HH22 ARG 8 1HH2 ARG 8 12.838 3.902 4.682 76 H LYS 9 H LYS 9 10.910 0.466 2.702 77 HA LYS 9 HA LYS 9 8.309 -0.686 3.447 78 HB2 LYS 9 2HB LYS 9 9.695 1.545 4.943 79 HB3 LYS 9 3HB LYS 9 8.141 0.825 5.340 80 HG2 LYS 9 2HG LYS 9 10.792 -0.604 5.398 81 HG3 LYS 9 3HG LYS 9 9.932 0.030 6.804 82 HD2 LYS 9 2HD LYS 9 8.165 -1.518 6.542 83 HD3 LYS 9 3HD LYS 9 8.699 -1.965 4.919 84 HE2 LYS 9 2HE LYS 9 10.507 -2.395 7.260 85 HE3 LYS 9 3HE LYS 9 9.202 -3.536 6.937 86 HZ1 LYS 9 3HZ LYS 9 11.702 -3.223 5.597 87 HZ2 LYS 9 1HZ LYS 9 10.405 -3.167 4.513 88 HZ3 LYS 9 2HZ LYS 9 10.599 -4.503 5.530 89 H CYS 10 H CYS 10 9.690 2.595 3.328 90 HA CYS 10 HA CYS 10 7.345 3.682 2.139 91 HB2 CYS 10 2HB CYS 10 9.915 4.675 3.116 92 HB3 CYS 10 3HB CYS 10 9.343 5.542 1.696 93 HG CYS 10 HG CYS 10 7.358 5.085 4.437 94 HA PRO 11 HA PRO 11 9.919 4.143 -1.886 95 HB2 PRO 11 2HB PRO 11 12.479 3.239 -1.893 96 HB3 PRO 11 3HB PRO 11 12.041 4.877 -1.398 97 HG2 PRO 11 2HG PRO 11 12.623 2.478 0.295 98 HG3 PRO 11 3HG PRO 11 13.149 4.157 0.516 99 HD2 PRO 11 2HD PRO 11 11.083 3.082 1.898 100 HD3 PRO 11 3HD PRO 11 11.136 4.797 1.440 101 H LEU 12 H LEU 12 9.428 2.737 -3.452 102 HA LEU 12 HA LEU 12 9.884 -0.131 -2.949 103 HB2 LEU 12 2HB LEU 12 7.887 -0.243 -4.695 104 HB3 LEU 12 3HB LEU 12 7.623 -0.141 -2.954 105 HG LEU 12 HG LEU 12 7.716 2.377 -4.550 106 HD11 LEU 12 1HD1 LEU 12 5.080 1.899 -4.547 107 HD12 LEU 12 2HD1 LEU 12 5.676 0.255 -4.771 108 HD13 LEU 12 3HD1 LEU 12 6.131 1.520 -5.912 109 HD21 LEU 12 3HD2 LEU 12 7.226 3.149 -2.524 110 HD22 LEU 12 1HD2 LEU 12 6.971 1.521 -1.897 111 HD23 LEU 12 2HD2 LEU 12 5.647 2.377 -2.686 112 H PHE 13 H PHE 13 8.635 1.274 -5.903 113 HA PHE 13 HA PHE 13 10.979 0.237 -7.323 114 HB2 PHE 13 2HB PHE 13 8.315 1.127 -8.446 115 HB3 PHE 13 3HB PHE 13 9.601 0.312 -9.330 116 HD1 PHE 13 HD1 PHE 13 7.083 -0.093 -6.664 117 HD2 PHE 13 HD2 PHE 13 9.825 -2.037 -9.275 118 HE1 PHE 13 HE1 PHE 13 6.098 -2.269 -6.073 119 HE2 PHE 13 HE2 PHE 13 8.845 -4.215 -8.688 120 HZ PHE 13 HZ PHE 13 6.979 -4.334 -7.086 121 H GLY 14 H GLY 14 9.351 2.353 -9.283 122 HA2 GLY 14 2HA GLY 14 11.192 4.565 -8.610 123 HA3 GLY 14 3HA GLY 14 10.905 4.055 -10.267 124 H LYS 15 H LYS 15 8.492 4.372 -7.712 125 HA LYS 15 HA LYS 15 7.275 6.576 -9.245 126 HB2 LYS 15 2HB LYS 15 5.107 5.620 -8.091 127 HB3 LYS 15 3HB LYS 15 5.716 4.920 -9.585 128 HG2 LYS 15 2HG LYS 15 6.818 3.726 -7.147 129 HG3 LYS 15 3HG LYS 15 5.078 3.515 -7.353 130 HD2 LYS 15 2HD LYS 15 7.146 2.853 -9.448 131 HD3 LYS 15 3HD LYS 15 6.428 1.679 -8.344 132 HE2 LYS 15 2HE LYS 15 4.198 2.806 -9.340 133 HE3 LYS 15 3HE LYS 15 5.280 3.013 -10.716 134 HZ1 LYS 15 3HZ LYS 15 4.084 0.929 -10.860 135 HZ2 LYS 15 1HZ LYS 15 4.680 0.444 -9.352 136 HZ3 LYS 15 2HZ LYS 15 5.738 0.635 -10.658 137 H GLY 16 H GLY 16 5.795 5.487 -6.334 138 HA2 GLY 16 2HA GLY 16 6.906 7.825 -4.907 139 HA3 GLY 16 3HA GLY 16 5.206 7.387 -4.823 140 H GLY 17 H GLY 17 4.600 6.259 -3.101 141 HA2 GLY 17 2HA GLY 17 5.123 4.095 -1.891 142 HA3 GLY 17 3HA GLY 17 6.697 4.819 -1.600 Start of MODEL 18 1 H21 PTL 1 H1 MET 1 1.735 -0.984 1.520 2 H22 PTL 1 HA MET 1 1.115 -0.781 -0.107 3 H31 PTL 1 2HB MET 1 3.457 0.609 1.159 4 H32 PTL 1 3HB MET 1 3.321 0.494 -0.591 5 H41 PTL 1 2HG MET 1 2.228 2.433 -0.392 6 H42 PTL 1 3HG MET 1 0.861 1.405 0.032 7 H51 PTL 1 H3 MET 1 1.379 1.684 2.400 8 H52 PTL 1 H2 MET 1 1.100 3.249 1.601 9 H53 PTL 1 H4 MET 1 2.758 2.721 1.970 10 H VAL 2 H VAL 2 2.843 -1.214 -1.883 11 HA VAL 2 HA VAL 2 3.665 -3.938 -1.578 12 HB VAL 2 HB VAL 2 3.983 -1.947 -3.815 13 HG11 VAL 2 1HG1 VAL 2 4.643 -4.165 -5.071 14 HG12 VAL 2 2HG1 VAL 2 5.859 -3.188 -4.246 15 HG13 VAL 2 3HG1 VAL 2 5.214 -4.635 -3.470 16 HG21 VAL 2 3HG2 VAL 2 2.148 -4.190 -3.173 17 HG22 VAL 2 1HG2 VAL 2 1.818 -2.639 -3.947 18 HG23 VAL 2 2HG2 VAL 2 2.576 -3.939 -4.866 19 H ALA 3 H ALA 3 5.186 -0.865 -1.196 20 HA ALA 3 HA ALA 3 7.853 -1.430 -1.689 21 HB1 ALA 3 3HB ALA 3 8.125 0.247 0.365 22 HB2 ALA 3 1HB ALA 3 7.600 0.776 -1.233 23 HB3 ALA 3 2HB ALA 3 6.410 0.493 0.039 24 H ARG 4 H ARG 4 5.956 -2.017 1.248 25 HA ARG 4 HA ARG 4 8.079 -2.953 2.843 26 HB2 ARG 4 2HB ARG 4 5.130 -3.611 2.979 27 HB3 ARG 4 3HB ARG 4 6.304 -3.967 4.240 28 HG2 ARG 4 2HG ARG 4 5.766 -2.002 5.119 29 HG3 ARG 4 3HG ARG 4 6.648 -1.268 3.778 30 HD2 ARG 4 2HD ARG 4 4.727 -0.266 3.248 31 HD3 ARG 4 3HD ARG 4 4.191 -1.846 2.676 32 HE ARG 4 HE ARG 4 2.765 -1.961 4.458 33 HH11 ARG 4 1HH1 ARG 4 5.151 0.497 5.076 34 HH12 ARG 4 2HH1 ARG 4 4.380 1.067 6.519 35 HH21 ARG 4 2HH2 ARG 4 2.440 0.088 7.247 36 HH22 ARG 4 1HH2 ARG 4 1.740 -1.221 6.356 37 H GLY 5 H GLY 5 6.506 -4.349 0.172 38 HA2 GLY 5 2HA GLY 5 7.621 -6.994 0.879 39 HA3 GLY 5 3HA GLY 5 6.133 -6.798 -0.035 40 H TRP 6 H TRP 6 8.441 -4.477 -0.853 41 HA TRP 6 HA TRP 6 9.292 -6.078 -3.179 42 HB2 TRP 6 2HB TRP 6 7.784 -4.436 -4.007 43 HB3 TRP 6 3HB TRP 6 8.502 -3.171 -3.014 44 HD1 TRP 6 HD1 TRP 6 9.139 -1.583 -5.014 45 HE1 TRP 6 HE1 TRP 6 10.891 -1.729 -6.894 46 HE3 TRP 6 HE3 TRP 6 10.420 -6.511 -4.551 47 HZ2 TRP 6 HZ2 TRP 6 12.590 -3.675 -8.030 48 HZ3 TRP 6 HZ3 TRP 6 12.116 -7.437 -6.073 49 HH2 TRP 6 HH2 TRP 6 13.177 -6.047 -7.777 50 H LYS 7 H LYS 7 10.266 -2.847 -2.108 51 HA LYS 7 HA LYS 7 13.048 -3.777 -2.074 52 HB2 LYS 7 2HB LYS 7 11.776 -1.081 -2.451 53 HB3 LYS 7 3HB LYS 7 13.472 -1.220 -2.006 54 HG2 LYS 7 2HG LYS 7 12.156 -2.308 -4.485 55 HG3 LYS 7 3HG LYS 7 13.298 -0.966 -4.382 56 HD2 LYS 7 2HD LYS 7 14.937 -2.645 -3.396 57 HD3 LYS 7 3HD LYS 7 13.811 -3.895 -3.929 58 HE2 LYS 7 2HE LYS 7 14.356 -3.634 -6.100 59 HE3 LYS 7 3HE LYS 7 14.502 -1.884 -5.959 60 HZ1 LYS 7 3HZ LYS 7 16.595 -2.939 -4.505 61 HZ2 LYS 7 1HZ LYS 7 16.684 -2.167 -6.008 62 HZ3 LYS 7 2HZ LYS 7 16.540 -3.850 -5.930 63 H ARG 8 H ARG 8 11.780 -0.951 -0.410 64 HA ARG 8 HA ARG 8 12.867 -2.025 2.098 65 HB2 ARG 8 2HB ARG 8 12.222 0.812 1.276 66 HB3 ARG 8 3HB ARG 8 12.809 0.345 2.867 67 HG2 ARG 8 2HG ARG 8 14.908 -0.301 2.013 68 HG3 ARG 8 3HG ARG 8 14.328 -0.252 0.347 69 HD2 ARG 8 2HD ARG 8 14.630 1.968 0.179 70 HD3 ARG 8 3HD ARG 8 14.032 2.269 1.810 71 HE ARG 8 HE ARG 8 16.494 1.112 2.150 72 HH11 ARG 8 1HH1 ARG 8 15.262 3.929 0.517 73 HH12 ARG 8 2HH1 ARG 8 16.718 4.845 0.723 74 HH21 ARG 8 2HH2 ARG 8 18.511 3.922 1.809 75 HH22 ARG 8 1HH2 ARG 8 18.416 2.308 2.428 76 H LYS 9 H LYS 9 10.901 0.604 2.659 77 HA LYS 9 HA LYS 9 8.588 -1.098 3.319 78 HB2 LYS 9 2HB LYS 9 9.669 1.171 5.000 79 HB3 LYS 9 3HB LYS 9 8.271 0.173 5.378 80 HG2 LYS 9 2HG LYS 9 9.726 -0.993 6.613 81 HG3 LYS 9 3HG LYS 9 10.187 -1.719 5.072 82 HD2 LYS 9 2HD LYS 9 11.736 0.478 5.025 83 HD3 LYS 9 3HD LYS 9 11.630 0.225 6.769 84 HE2 LYS 9 2HE LYS 9 12.091 -2.286 5.494 85 HE3 LYS 9 3HE LYS 9 13.267 -1.118 4.892 86 HZ1 LYS 9 3HZ LYS 9 14.051 -2.275 6.876 87 HZ2 LYS 9 1HZ LYS 9 12.735 -1.682 7.759 88 HZ3 LYS 9 2HZ LYS 9 13.898 -0.613 7.154 89 H CYS 10 H CYS 10 9.675 2.255 2.841 90 HA CYS 10 HA CYS 10 6.961 3.054 2.137 91 HB2 CYS 10 2HB CYS 10 9.055 5.073 1.832 92 HB3 CYS 10 3HB CYS 10 7.562 5.132 2.763 93 HG CYS 10 HG CYS 10 9.016 5.363 4.892 94 HA PRO 11 HA PRO 11 9.330 4.131 -1.933 95 HB2 PRO 11 2HB PRO 11 11.880 3.229 -2.164 96 HB3 PRO 11 3HB PRO 11 11.478 4.805 -1.472 97 HG2 PRO 11 2HG PRO 11 12.125 2.234 -0.082 98 HG3 PRO 11 3HG PRO 11 12.672 3.877 0.295 99 HD2 PRO 11 2HD PRO 11 10.668 2.663 1.651 100 HD3 PRO 11 3HD PRO 11 10.711 4.417 1.380 101 H LEU 12 H LEU 12 9.121 2.929 -3.773 102 HA LEU 12 HA LEU 12 9.150 0.002 -3.439 103 HB2 LEU 12 2HB LEU 12 7.488 1.759 -5.232 104 HB3 LEU 12 3HB LEU 12 7.549 0.003 -5.371 105 HG LEU 12 HG LEU 12 6.772 0.016 -2.903 106 HD11 LEU 12 1HD1 LEU 12 7.086 2.357 -2.439 107 HD12 LEU 12 2HD1 LEU 12 5.366 1.974 -2.355 108 HD13 LEU 12 3HD1 LEU 12 6.016 2.802 -3.769 109 HD21 LEU 12 3HD2 LEU 12 4.443 0.087 -3.611 110 HD22 LEU 12 1HD2 LEU 12 5.431 -0.767 -4.795 111 HD23 LEU 12 2HD2 LEU 12 4.910 0.888 -5.111 112 H PHE 13 H PHE 13 8.638 1.016 -6.605 113 HA PHE 13 HA PHE 13 11.262 0.049 -7.391 114 HB2 PHE 13 2HB PHE 13 8.840 0.827 -9.027 115 HB3 PHE 13 3HB PHE 13 10.332 0.181 -9.700 116 HD1 PHE 13 HD1 PHE 13 7.561 -0.609 -7.367 117 HD2 PHE 13 HD2 PHE 13 10.676 -2.119 -9.844 118 HE1 PHE 13 HE1 PHE 13 6.718 -2.896 -7.028 119 HE2 PHE 13 HE2 PHE 13 9.838 -4.407 -9.510 120 HZ PHE 13 HZ PHE 13 7.856 -4.798 -8.101 121 H GLY 14 H GLY 14 9.506 2.526 -9.153 122 HA2 GLY 14 2HA GLY 14 11.759 4.379 -8.668 123 HA3 GLY 14 3HA GLY 14 11.070 4.144 -10.269 124 H LYS 15 H LYS 15 8.669 3.988 -7.941 125 HA LYS 15 HA LYS 15 7.780 6.686 -8.635 126 HB2 LYS 15 2HB LYS 15 6.196 4.593 -7.152 127 HB3 LYS 15 3HB LYS 15 5.588 5.998 -8.017 128 HG2 LYS 15 2HG LYS 15 5.121 4.411 -9.560 129 HG3 LYS 15 3HG LYS 15 6.775 4.781 -10.055 130 HD2 LYS 15 2HD LYS 15 7.583 2.793 -9.316 131 HD3 LYS 15 3HD LYS 15 6.450 2.712 -7.965 132 HE2 LYS 15 2HE LYS 15 4.933 1.558 -9.155 133 HE3 LYS 15 3HE LYS 15 5.197 2.522 -10.607 134 HZ1 LYS 15 3HZ LYS 15 7.178 1.240 -11.072 135 HZ2 LYS 15 1HZ LYS 15 5.847 0.206 -10.916 136 HZ3 LYS 15 2HZ LYS 15 6.970 0.336 -9.658 137 H GLY 16 H GLY 16 6.039 6.006 -6.023 138 HA2 GLY 16 2HA GLY 16 7.971 7.266 -4.174 139 HA3 GLY 16 3HA GLY 16 6.279 7.740 -4.245 140 H GLY 17 H GLY 17 4.674 6.279 -3.469 141 HA2 GLY 17 2HA GLY 17 4.250 4.033 -2.507 142 HA3 GLY 17 3HA GLY 17 5.773 4.224 -1.651 Start of MODEL 19 1 H21 PTL 1 H1 MET 1 1.622 -0.393 0.493 2 H22 PTL 1 HA MET 1 1.466 -0.277 -1.249 3 H31 PTL 1 2HB MET 1 3.856 0.582 -1.320 4 H32 PTL 1 3HB MET 1 2.660 1.666 -0.624 5 H41 PTL 1 2HG MET 1 4.045 -0.112 1.270 6 H42 PTL 1 3HG MET 1 5.032 1.129 0.504 7 H51 PTL 1 H3 MET 1 3.472 2.847 1.259 8 H52 PTL 1 H2 MET 1 4.124 1.908 2.622 9 H53 PTL 1 H4 MET 1 2.475 1.593 2.032 10 H VAL 2 H VAL 2 3.265 -1.308 -2.549 11 HA VAL 2 HA VAL 2 3.583 -4.027 -1.641 12 HB VAL 2 HB VAL 2 3.332 -2.866 -4.129 13 HG11 VAL 2 1HG1 VAL 2 6.120 -3.991 -3.970 14 HG12 VAL 2 2HG1 VAL 2 5.328 -3.259 -5.368 15 HG13 VAL 2 3HG1 VAL 2 5.762 -2.265 -3.977 16 HG21 VAL 2 3HG2 VAL 2 3.034 -5.006 -4.814 17 HG22 VAL 2 1HG2 VAL 2 4.511 -5.576 -4.036 18 HG23 VAL 2 2HG2 VAL 2 3.053 -5.314 -3.078 19 H ALA 3 H ALA 3 5.360 -1.204 -1.308 20 HA ALA 3 HA ALA 3 8.001 -1.896 -1.654 21 HB1 ALA 3 3HB ALA 3 7.685 0.315 -1.082 22 HB2 ALA 3 1HB ALA 3 6.616 -0.075 0.265 23 HB3 ALA 3 2HB ALA 3 8.353 -0.346 0.410 24 H ARG 4 H ARG 4 5.923 -2.559 1.142 25 HA ARG 4 HA ARG 4 7.789 -3.624 2.881 26 HB2 ARG 4 2HB ARG 4 5.578 -3.266 3.671 27 HB3 ARG 4 3HB ARG 4 4.889 -4.306 2.432 28 HG2 ARG 4 2HG ARG 4 6.811 -5.543 4.309 29 HG3 ARG 4 3HG ARG 4 5.228 -5.093 4.946 30 HD2 ARG 4 2HD ARG 4 4.830 -6.356 2.439 31 HD3 ARG 4 3HD ARG 4 5.943 -7.354 3.372 32 HE ARG 4 HE ARG 4 3.159 -7.010 3.843 33 HH11 ARG 4 1HH1 ARG 4 6.211 -7.517 5.439 34 HH12 ARG 4 2HH1 ARG 4 5.509 -8.294 6.819 35 HH21 ARG 4 2HH2 ARG 4 3.240 -8.589 6.940 36 HH22 ARG 4 1HH2 ARG 4 2.223 -8.033 5.654 37 H GLY 5 H GLY 5 6.497 -4.968 -0.040 38 HA2 GLY 5 2HA GLY 5 7.850 -7.526 0.552 39 HA3 GLY 5 3HA GLY 5 6.477 -7.365 -0.533 40 H TRP 6 H TRP 6 8.272 -4.720 -1.133 41 HA TRP 6 HA TRP 6 9.628 -6.036 -3.381 42 HB2 TRP 6 2HB TRP 6 8.088 -4.359 -4.124 43 HB3 TRP 6 3HB TRP 6 8.715 -3.186 -2.969 44 HD1 TRP 6 HD1 TRP 6 9.658 -1.359 -4.537 45 HE1 TRP 6 HE1 TRP 6 11.438 -1.304 -6.393 46 HE3 TRP 6 HE3 TRP 6 10.492 -6.381 -5.008 47 HZ2 TRP 6 HZ2 TRP 6 12.991 -3.146 -7.865 48 HZ3 TRP 6 HZ3 TRP 6 12.141 -7.152 -6.664 49 HH2 TRP 6 HH2 TRP 6 13.363 -5.566 -8.062 50 H LYS 7 H LYS 7 10.290 -2.943 -1.775 51 HA LYS 7 HA LYS 7 13.089 -3.806 -1.466 52 HB2 LYS 7 2HB LYS 7 11.879 -1.373 -2.491 53 HB3 LYS 7 3HB LYS 7 13.016 -1.030 -1.194 54 HG2 LYS 7 2HG LYS 7 13.923 -1.034 -3.564 55 HG3 LYS 7 3HG LYS 7 14.812 -1.975 -2.362 56 HD2 LYS 7 2HD LYS 7 14.051 -4.007 -3.214 57 HD3 LYS 7 3HD LYS 7 12.695 -3.253 -4.058 58 HE2 LYS 7 2HE LYS 7 14.525 -3.999 -5.565 59 HE3 LYS 7 3HE LYS 7 14.170 -2.276 -5.677 60 HZ1 LYS 7 3HZ LYS 7 16.138 -1.712 -4.698 61 HZ2 LYS 7 1HZ LYS 7 16.615 -3.129 -5.488 62 HZ3 LYS 7 2HZ LYS 7 16.272 -3.159 -3.832 63 H ARG 8 H ARG 8 11.428 -1.050 -0.011 64 HA ARG 8 HA ARG 8 11.956 -2.220 2.641 65 HB2 ARG 8 2HB ARG 8 12.159 0.677 1.802 66 HB3 ARG 8 3HB ARG 8 12.307 0.100 3.456 67 HG2 ARG 8 2HG ARG 8 14.132 -0.585 1.161 68 HG3 ARG 8 3HG ARG 8 14.488 0.516 2.494 69 HD2 ARG 8 2HD ARG 8 13.779 -1.725 3.846 70 HD3 ARG 8 3HD ARG 8 14.508 -2.424 2.401 71 HE ARG 8 HE ARG 8 16.176 -0.400 3.447 72 HH11 ARG 8 1HH1 ARG 8 15.109 -3.653 4.083 73 HH12 ARG 8 2HH1 ARG 8 16.551 -4.099 4.933 74 HH21 ARG 8 2HH2 ARG 8 18.240 -2.576 5.207 75 HH22 ARG 8 1HH2 ARG 8 18.080 -0.976 4.565 76 H LYS 9 H LYS 9 10.594 0.790 2.918 77 HA LYS 9 HA LYS 9 7.856 -0.298 2.994 78 HB2 LYS 9 2HB LYS 9 9.390 1.189 5.074 79 HB3 LYS 9 3HB LYS 9 7.665 1.506 4.934 80 HG2 LYS 9 2HG LYS 9 7.223 -0.317 6.101 81 HG3 LYS 9 3HG LYS 9 8.058 -1.307 4.903 82 HD2 LYS 9 2HD LYS 9 10.004 -1.366 6.105 83 HD3 LYS 9 3HD LYS 9 9.704 0.196 6.871 84 HE2 LYS 9 2HE LYS 9 7.684 -1.698 7.641 85 HE3 LYS 9 3HE LYS 9 9.288 -2.359 7.956 86 HZ1 LYS 9 3HZ LYS 9 8.811 -1.199 9.877 87 HZ2 LYS 9 1HZ LYS 9 8.040 0.068 9.065 88 HZ3 LYS 9 2HZ LYS 9 9.724 -0.070 9.009 89 H CYS 10 H CYS 10 9.565 2.825 3.274 90 HA CYS 10 HA CYS 10 7.427 4.307 2.137 91 HB2 CYS 10 2HB CYS 10 10.058 4.851 3.231 92 HB3 CYS 10 3HB CYS 10 9.751 5.821 1.796 93 HG CYS 10 HG CYS 10 8.011 5.814 4.729 94 HA PRO 11 HA PRO 11 10.170 4.463 -1.833 95 HB2 PRO 11 2HB PRO 11 12.337 2.829 -1.921 96 HB3 PRO 11 3HB PRO 11 12.400 4.476 -1.281 97 HG2 PRO 11 2HG PRO 11 12.186 1.879 0.192 98 HG3 PRO 11 3HG PRO 11 13.187 3.295 0.560 99 HD2 PRO 11 2HD PRO 11 10.857 2.785 1.842 100 HD3 PRO 11 3HD PRO 11 11.438 4.435 1.538 101 H LEU 12 H LEU 12 9.562 3.351 -3.617 102 HA LEU 12 HA LEU 12 8.914 0.495 -3.283 103 HB2 LEU 12 2HB LEU 12 7.034 2.294 -3.572 104 HB3 LEU 12 3HB LEU 12 7.503 2.221 -5.270 105 HG LEU 12 HG LEU 12 7.159 -0.429 -4.616 106 HD11 LEU 12 1HD1 LEU 12 6.204 0.123 -2.457 107 HD12 LEU 12 2HD1 LEU 12 4.966 -0.543 -3.520 108 HD13 LEU 12 3HD1 LEU 12 5.033 1.194 -3.226 109 HD21 LEU 12 3HD2 LEU 12 6.395 0.391 -6.672 110 HD22 LEU 12 1HD2 LEU 12 5.381 1.615 -5.908 111 HD23 LEU 12 2HD2 LEU 12 4.928 -0.086 -5.816 112 H PHE 13 H PHE 13 8.129 1.177 -6.330 113 HA PHE 13 HA PHE 13 10.549 0.003 -7.379 114 HB2 PHE 13 2HB PHE 13 7.875 0.720 -8.552 115 HB3 PHE 13 3HB PHE 13 9.224 0.268 -9.591 116 HD1 PHE 13 HD1 PHE 13 7.773 -1.000 -6.391 117 HD2 PHE 13 HD2 PHE 13 9.117 -1.892 -10.330 118 HE1 PHE 13 HE1 PHE 13 7.248 -3.376 -6.029 119 HE2 PHE 13 HE2 PHE 13 8.593 -4.269 -9.974 120 HZ PHE 13 HZ PHE 13 7.656 -5.014 -7.822 121 H GLY 14 H GLY 14 8.783 2.444 -9.163 122 HA2 GLY 14 2HA GLY 14 11.216 4.123 -9.153 123 HA3 GLY 14 3HA GLY 14 10.277 3.829 -10.609 124 H LYS 15 H LYS 15 8.454 4.180 -7.741 125 HA LYS 15 HA LYS 15 7.712 6.910 -8.562 126 HB2 LYS 15 2HB LYS 15 5.548 6.408 -7.356 127 HB3 LYS 15 3HB LYS 15 5.829 5.486 -8.827 128 HG2 LYS 15 2HG LYS 15 6.664 4.311 -6.225 129 HG3 LYS 15 3HG LYS 15 4.949 4.331 -6.645 130 HD2 LYS 15 2HD LYS 15 6.673 3.436 -8.826 131 HD3 LYS 15 3HD LYS 15 6.762 2.408 -7.394 132 HE2 LYS 15 2HE LYS 15 5.018 1.473 -8.613 133 HE3 LYS 15 3HE LYS 15 4.186 2.496 -7.443 134 HZ1 LYS 15 3HZ LYS 15 3.673 4.059 -9.053 135 HZ2 LYS 15 1HZ LYS 15 3.473 2.600 -9.886 136 HZ3 LYS 15 2HZ LYS 15 4.870 3.524 -10.121 137 H GLY 16 H GLY 16 6.160 6.306 -5.760 138 HA2 GLY 16 2HA GLY 16 8.337 7.480 -4.140 139 HA3 GLY 16 3HA GLY 16 6.661 7.989 -4.000 140 H GLY 17 H GLY 17 5.485 5.392 -4.120 141 HA2 GLY 17 2HA GLY 17 4.971 3.597 -2.778 142 HA3 GLY 17 3HA GLY 17 6.622 3.656 -2.179 Start of MODEL 20 1 H21 PTL 1 H1 MET 1 1.910 -0.735 1.654 2 H22 PTL 1 HA MET 1 1.090 -0.797 0.106 3 H31 PTL 1 2HB MET 1 3.096 0.441 -0.880 4 H32 PTL 1 3HB MET 1 2.021 1.363 0.162 5 H41 PTL 1 2HG MET 1 4.318 0.065 1.477 6 H42 PTL 1 3HG MET 1 4.686 1.395 0.380 7 H51 PTL 1 H3 MET 1 3.160 2.844 1.614 8 H52 PTL 1 H2 MET 1 4.431 2.183 2.668 9 H53 PTL 1 H4 MET 1 2.787 1.501 2.720 10 H VAL 2 H VAL 2 2.680 -1.431 -1.781 11 HA VAL 2 HA VAL 2 3.507 -4.102 -1.249 12 HB VAL 2 HB VAL 2 3.499 -2.327 -3.637 13 HG11 VAL 2 1HG1 VAL 2 5.713 -3.160 -3.835 14 HG12 VAL 2 2HG1 VAL 2 5.216 -4.784 -3.359 15 HG13 VAL 2 3HG1 VAL 2 4.709 -4.126 -4.915 16 HG21 VAL 2 3HG2 VAL 2 1.563 -3.557 -3.541 17 HG22 VAL 2 1HG2 VAL 2 2.569 -4.618 -4.526 18 HG23 VAL 2 2HG2 VAL 2 2.356 -4.951 -2.807 19 H ALA 3 H ALA 3 5.083 -1.060 -1.102 20 HA ALA 3 HA ALA 3 7.713 -1.627 -1.699 21 HB1 ALA 3 3HB ALA 3 8.030 0.030 0.410 22 HB2 ALA 3 1HB ALA 3 7.572 0.564 -1.207 23 HB3 ALA 3 2HB ALA 3 6.333 0.316 0.024 24 H ARG 4 H ARG 4 5.970 -2.236 1.325 25 HA ARG 4 HA ARG 4 8.132 -3.124 2.858 26 HB2 ARG 4 2HB ARG 4 6.061 -2.640 3.944 27 HB3 ARG 4 3HB ARG 4 5.198 -3.813 2.958 28 HG2 ARG 4 2HG ARG 4 7.421 -4.841 4.614 29 HG3 ARG 4 3HG ARG 4 5.966 -4.305 5.458 30 HD2 ARG 4 2HD ARG 4 5.145 -5.836 3.223 31 HD3 ARG 4 3HD ARG 4 6.423 -6.735 4.041 32 HE ARG 4 HE ARG 4 4.596 -5.798 5.954 33 HH11 ARG 4 1HH1 ARG 4 4.809 -8.104 3.355 34 HH12 ARG 4 2HH1 ARG 4 3.646 -9.186 4.046 35 HH21 ARG 4 2HH2 ARG 4 2.653 -8.679 6.047 36 HH22 ARG 4 1HH2 ARG 4 3.063 -7.215 6.874 37 H GLY 5 H GLY 5 6.568 -4.580 0.193 38 HA2 GLY 5 2HA GLY 5 7.882 -7.154 0.818 39 HA3 GLY 5 3HA GLY 5 6.374 -7.033 -0.077 40 H TRP 6 H TRP 6 8.223 -4.492 -1.041 41 HA TRP 6 HA TRP 6 9.189 -5.988 -3.381 42 HB2 TRP 6 2HB TRP 6 7.627 -4.323 -4.058 43 HB3 TRP 6 3HB TRP 6 8.376 -3.104 -3.031 44 HD1 TRP 6 HD1 TRP 6 8.858 -1.430 -5.022 45 HE1 TRP 6 HE1 TRP 6 10.556 -1.455 -6.957 46 HE3 TRP 6 HE3 TRP 6 10.337 -6.316 -4.741 47 HZ2 TRP 6 HZ2 TRP 6 12.292 -3.301 -8.199 48 HZ3 TRP 6 HZ3 TRP 6 12.020 -7.132 -6.339 49 HH2 TRP 6 HH2 TRP 6 12.976 -5.654 -8.032 50 H LYS 7 H LYS 7 10.154 -2.806 -2.164 51 HA LYS 7 HA LYS 7 12.948 -3.710 -2.242 52 HB2 LYS 7 2HB LYS 7 11.662 -1.002 -2.494 53 HB3 LYS 7 3HB LYS 7 13.377 -1.170 -2.146 54 HG2 LYS 7 2HG LYS 7 11.919 -2.168 -4.582 55 HG3 LYS 7 3HG LYS 7 13.078 -0.841 -4.501 56 HD2 LYS 7 2HD LYS 7 14.729 -2.598 -3.621 57 HD3 LYS 7 3HD LYS 7 13.571 -3.790 -4.216 58 HE2 LYS 7 2HE LYS 7 14.844 -3.599 -6.085 59 HE3 LYS 7 3HE LYS 7 13.734 -2.264 -6.393 60 HZ1 LYS 7 3HZ LYS 7 16.134 -1.728 -6.699 61 HZ2 LYS 7 1HZ LYS 7 16.349 -1.932 -5.034 62 HZ3 LYS 7 2HZ LYS 7 15.329 -0.714 -5.611 63 H ARG 8 H ARG 8 11.731 -0.921 -0.489 64 HA ARG 8 HA ARG 8 12.850 -2.062 1.973 65 HB2 ARG 8 2HB ARG 8 12.217 0.804 1.247 66 HB3 ARG 8 3HB ARG 8 12.868 0.280 2.795 67 HG2 ARG 8 2HG ARG 8 14.905 -0.441 1.772 68 HG3 ARG 8 3HG ARG 8 14.247 -0.161 0.158 69 HD2 ARG 8 2HD ARG 8 14.355 2.147 0.377 70 HD3 ARG 8 3HD ARG 8 14.391 2.076 2.138 71 HE ARG 8 HE ARG 8 16.696 0.858 1.010 72 HH11 ARG 8 1HH1 ARG 8 15.257 3.947 1.719 73 HH12 ARG 8 2HH1 ARG 8 16.775 4.771 1.852 74 HH21 ARG 8 2HH2 ARG 8 18.734 3.623 1.545 75 HH22 ARG 8 1HH2 ARG 8 18.702 1.931 1.182 76 H LYS 9 H LYS 9 10.968 0.568 2.692 77 HA LYS 9 HA LYS 9 8.610 -1.091 3.295 78 HB2 LYS 9 2HB LYS 9 9.781 1.031 5.102 79 HB3 LYS 9 3HB LYS 9 8.382 0.021 5.444 80 HG2 LYS 9 2HG LYS 9 9.692 -1.515 6.343 81 HG3 LYS 9 3HG LYS 9 10.577 -1.676 4.826 82 HD2 LYS 9 2HD LYS 9 12.326 -0.966 6.054 83 HD3 LYS 9 3HD LYS 9 11.625 0.632 5.785 84 HE2 LYS 9 2HE LYS 9 12.043 0.492 8.103 85 HE3 LYS 9 3HE LYS 9 10.305 0.259 7.913 86 HZ1 LYS 9 3HZ LYS 9 11.899 -2.163 7.874 87 HZ2 LYS 9 1HZ LYS 9 10.422 -1.849 8.637 88 HZ3 LYS 9 2HZ LYS 9 11.868 -1.346 9.355 89 H CYS 10 H CYS 10 9.705 2.306 3.308 90 HA CYS 10 HA CYS 10 7.068 3.271 2.708 91 HB2 CYS 10 2HB CYS 10 9.629 4.408 3.481 92 HB3 CYS 10 3HB CYS 10 8.855 5.351 2.212 93 HG CYS 10 HG CYS 10 8.315 5.516 5.371 94 HA PRO 11 HA PRO 11 9.035 4.375 -1.552 95 HB2 PRO 11 2HB PRO 11 11.543 3.467 -2.058 96 HB3 PRO 11 3HB PRO 11 11.222 5.026 -1.289 97 HG2 PRO 11 2HG PRO 11 11.986 2.418 -0.035 98 HG3 PRO 11 3HG PRO 11 12.579 4.049 0.327 99 HD2 PRO 11 2HD PRO 11 10.712 2.809 1.844 100 HD3 PRO 11 3HD PRO 11 10.740 4.569 1.615 101 H LEU 12 H LEU 12 8.434 3.211 -3.290 102 HA LEU 12 HA LEU 12 8.366 0.301 -3.022 103 HB2 LEU 12 2HB LEU 12 6.843 2.312 -4.594 104 HB3 LEU 12 3HB LEU 12 6.978 0.678 -5.240 105 HG LEU 12 HG LEU 12 6.101 0.867 -2.431 106 HD11 LEU 12 1HD1 LEU 12 4.165 1.967 -2.699 107 HD12 LEU 12 2HD1 LEU 12 3.910 1.335 -4.325 108 HD13 LEU 12 3HD1 LEU 12 4.980 2.714 -4.074 109 HD21 LEU 12 3HD2 LEU 12 4.984 -0.626 -4.800 110 HD22 LEU 12 1HD2 LEU 12 4.665 -0.933 -3.092 111 HD23 LEU 12 2HD2 LEU 12 6.270 -1.234 -3.758 112 H PHE 13 H PHE 13 8.213 1.664 -6.176 113 HA PHE 13 HA PHE 13 10.696 0.284 -6.876 114 HB2 PHE 13 2HB PHE 13 8.453 1.361 -8.595 115 HB3 PHE 13 3HB PHE 13 9.899 0.580 -9.227 116 HD1 PHE 13 HD1 PHE 13 7.109 -0.026 -6.834 117 HD2 PHE 13 HD2 PHE 13 9.858 -1.686 -9.626 118 HE1 PHE 13 HE1 PHE 13 6.018 -2.219 -6.598 119 HE2 PHE 13 HE2 PHE 13 8.773 -3.882 -9.396 120 HZ PHE 13 HZ PHE 13 6.849 -4.150 -7.881 121 H GLY 14 H GLY 14 9.757 2.614 -9.135 122 HA2 GLY 14 2HA GLY 14 11.833 4.473 -8.149 123 HA3 GLY 14 3HA GLY 14 11.687 4.035 -9.845 124 H LYS 15 H LYS 15 8.831 4.509 -7.936 125 HA LYS 15 HA LYS 15 8.404 7.103 -9.268 126 HB2 LYS 15 2HB LYS 15 5.932 5.807 -8.547 127 HB3 LYS 15 3HB LYS 15 6.471 6.376 -10.121 128 HG2 LYS 15 2HG LYS 15 6.147 4.138 -10.514 129 HG3 LYS 15 3HG LYS 15 7.872 4.186 -10.140 130 HD2 LYS 15 2HD LYS 15 7.612 3.077 -8.180 131 HD3 LYS 15 3HD LYS 15 6.043 3.812 -7.848 132 HE2 LYS 15 2HE LYS 15 5.983 1.348 -8.295 133 HE3 LYS 15 3HE LYS 15 4.940 2.317 -9.334 134 HZ1 LYS 15 3HZ LYS 15 7.579 1.919 -10.404 135 HZ2 LYS 15 1HZ LYS 15 6.070 1.714 -11.142 136 HZ3 LYS 15 2HZ LYS 15 6.721 0.476 -10.192 137 H GLY 16 H GLY 16 6.563 5.340 -6.793 138 HA2 GLY 16 2HA GLY 16 7.000 7.638 -4.986 139 HA3 GLY 16 3HA GLY 16 5.447 6.830 -5.133 140 H GLY 17 H GLY 17 4.991 5.348 -3.646 141 HA2 GLY 17 2HA GLY 17 6.467 3.254 -2.753 142 HA3 GLY 17 3HA GLY 17 7.011 4.579 -1.736
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