*HEADER HORMONE INHIBITOR 13-AUG-09 SMS20092 *TITLE SOLUTION STRUCTURE OF CSP *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CSP; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630; *SOURCE 5 OTHER_DETAILS: SYNTHESIZED BY FMOC CHEMISTRY. *KEYWDS ALPHA HELIX, HORMONE INHIBITOR *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR D.P.FAIRLIE, R.S.HARRISON, H.N.HOANG, G.RUIZ-GOMEZ # # INSTRUCTIONS # 1) Replace the @ - signs with appropriate values. # 2) Text comments concerning the assignments can be # supplied in the full deposition # 3) Feel free to add or delete rows to the table as needed # The row numbers ( *.ID values ) # will be re-assigned to sequential values by BMRB. # # # author residue sequence: ENleRLKKFFDKFILDRKK # residue sequence for the table: ENleRLKKFFDKFILDRKK # ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Details # # Entity Comp Atom Atom Entity Comp Atom Atom # Assembly index Comp Atom Atom isot. Ambig. Ass'y index Comp Atom Atom isot. Ambig. Val Val Val #ID code ID 1 ID 1 ID 1 ID 1 type 1 num 1 code 1 ID 2 ID 2 ID 2 ID 2 type 2 num 2 code 2 Val Min Max err Details #---------------------------------------------------------------------------------------------------------------------------------- # 1 3JHNHA . 1 GLU H H 1 1 . 1 GLU HA H 1 1 @ @ @ @ . 2 3JHNHA . 2 Nle H H 1 1 . 2 Nle HA H 1 1 5.7 @ @ @ . 3 3JHNHA . 3 ARG H H 1 1 . 3 ARG HA H 1 1 4.9 @ @ @ . 4 3JHNHA . 4 LEU H H 1 1 . 4 LEU HA H 1 1 6.3 @ @ @ . 5 3JHNHA . 5 LYS H H 1 1 . 5 LYS HA H 1 1 @ @ @ @ . 6 3JHNHA . 6 LYS H H 1 1 . 6 LYS HA H 1 1 @ @ @ @ . 7 3JHNHA . 7 PHE H H 1 1 . 7 PHE HA H 1 1 5.3 @ @ @ . 8 3JHNHA . 8 PHE H H 1 1 . 8 PHE HA H 1 1 6.0 @ @ @ . 9 3JHNHA . 9 ASP H H 1 1 . 9 ASP HA H 1 1 5.5 @ @ @ . 10 3JHNHA . 10 LYS H H 1 1 . 10 LYS HA H 1 1 7.1 @ @ @ . 11 3JHNHA . 11 PHE H H 1 1 . 11 PHE HA H 1 1 4.3 @ @ @ . 12 3JHNHA . 12 ILE H H 1 1 . 12 ILE HA H 1 1 5.5 @ @ @ . 13 3JHNHA . 13 LEU H H 1 1 . 13 LEU HA H 1 1 5.0 @ @ @ . 14 3JHNHA . 14 ASP H H 1 1 . 14 ASP HA H 1 1 6.7 @ @ @ . 15 3JHNHA . 15 ARG H H 1 1 . 15 ARG HA H 1 1 5.6 @ @ @ . 16 3JHNHA . 16 LYS H H 1 1 . 16 LYS HA H 1 1 4.1 @ @ @ . 17 3JHNHA . 17 LYS H H 1 1 . 17 LYS HA H 1 1 5.6 @ @ @ . Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HN GLU 1 -5.360 -0.172 10.736 2 HA GLU 1 HA GLU 1 -2.733 -0.172 9.404 3 HB2 GLU 1 HB2 GLU 1 -5.387 0.439 8.105 4 HB3 GLU 1 HB1 GLU 1 -3.845 0.150 7.310 5 HG2 GLU 1 HG2 GLU 1 -4.695 -2.062 9.001 6 HG3 GLU 1 HG1 GLU 1 -5.830 -1.696 7.702 7 H NLE 2 HN NLE 2 -2.369 1.552 11.121 8 HA NLE 2 HA NLE 2 -3.546 4.133 10.425 9 HB2 NLE 2 HB2 NLE 2 -2.732 2.965 12.843 10 HB3 NLE 2 HB1 NLE 2 -1.568 4.245 12.532 11 HG2 NLE 2 HG2 NLE 2 -3.621 5.729 12.111 12 HG3 NLE 2 HG1 NLE 2 -4.527 4.450 12.921 13 HD2 NLE 2 HD2 NLE 2 -3.995 5.928 14.650 14 HD3 NLE 2 HD1 NLE 2 -2.758 4.674 14.784 15 HE1 NLE 2 HE1 NLE 2 -2.160 7.019 13.070 16 HE2 NLE 2 HE2 NLE 2 -1.091 6.064 14.099 17 HE3 NLE 2 HE3 NLE 2 -2.168 7.262 14.817 18 H ARG 3 HN ARG 3 -1.529 5.861 11.125 19 HA ARG 3 HA ARG 3 -0.058 6.088 8.766 20 HB2 ARG 3 HB2 ARG 3 -0.590 7.810 10.686 21 HB3 ARG 3 HB1 ARG 3 0.974 7.291 11.301 22 HG2 ARG 3 HG2 ARG 3 2.127 8.229 9.563 23 HG3 ARG 3 HG1 ARG 3 0.764 8.106 8.448 24 HD2 ARG 3 HD2 ARG 3 -0.245 9.804 10.298 25 HD3 ARG 3 HD1 ARG 3 1.465 10.228 10.366 26 HE ARG 3 HE ARG 3 -0.358 10.895 8.308 27 HH11 ARG 3 HH11 ARG 3 2.955 9.923 8.816 28 HH12 ARG 3 HH12 ARG 3 3.536 10.707 7.385 29 HH21 ARG 3 HH21 ARG 3 0.404 11.927 6.426 30 HH22 ARG 3 HH22 ARG 3 2.088 11.845 6.029 31 H LEU 4 HN LEU 4 0.654 4.416 11.739 32 HA LEU 4 HA LEU 4 3.344 3.771 10.740 33 HB2 LEU 4 HB2 LEU 4 2.176 4.063 13.451 34 HB3 LEU 4 HB1 LEU 4 3.401 2.825 13.247 35 HG LEU 4 HG LEU 4 4.318 4.975 14.053 36 HD11 LEU 4 HD11 LEU 4 5.415 4.631 11.311 37 HD12 LEU 4 HD12 LEU 4 5.474 3.263 12.423 38 HD13 LEU 4 HD13 LEU 4 6.254 4.785 12.855 39 HD21 LEU 4 HD21 LEU 4 4.116 6.953 12.946 40 HD22 LEU 4 HD22 LEU 4 2.594 6.209 12.456 41 HD23 LEU 4 HD23 LEU 4 3.979 6.182 11.365 42 H LYS 5 HN LYS 5 1.991 2.333 9.257 43 HA LYS 5 HA LYS 5 2.323 -0.350 10.062 44 HB2 LYS 5 HB2 LYS 5 0.094 0.509 11.187 45 HB3 LYS 5 HB1 LYS 5 -0.568 0.215 9.586 46 HG2 LYS 5 HG2 LYS 5 1.052 -1.962 10.742 47 HG3 LYS 5 HG1 LYS 5 -0.499 -1.635 11.519 48 HD2 LYS 5 HD2 LYS 5 -1.664 -2.476 9.796 49 HD3 LYS 5 HD1 LYS 5 -0.644 -1.673 8.602 50 HE2 LYS 5 HE2 LYS 5 0.823 -3.775 9.897 51 HE3 LYS 5 HE1 LYS 5 -0.699 -4.403 9.267 52 HZ1 LYS 5 HZ1 LYS 5 1.517 -3.964 7.740 53 H LYS 6 HN LYS 6 0.512 1.811 7.940 54 HA LYS 6 HA LYS 6 0.019 0.230 5.771 55 HB2 LYS 6 HB2 LYS 6 0.926 3.108 5.822 56 HB3 LYS 6 HB1 LYS 6 0.318 2.307 4.380 57 HG2 LYS 6 HG2 LYS 6 -1.819 1.915 5.493 58 HG3 LYS 6 HG1 LYS 6 -1.208 2.714 6.944 59 HD2 LYS 6 HD2 LYS 6 -1.412 4.785 6.050 60 HD3 LYS 6 HD1 LYS 6 -0.985 4.241 4.426 61 HE2 LYS 6 HE2 LYS 6 -3.321 5.020 4.592 62 HE3 LYS 6 HE1 LYS 6 -3.196 3.330 4.104 63 HZ1 LYS 6 HZ1 LYS 6 -3.951 4.395 6.764 64 HZ2 LYS 6 HZ2 LYS 6 -3.560 2.770 6.506 65 HZ3 LYS 6 HZ3 LYS 6 -4.891 3.454 5.718 66 H PHE 7 HN PHE 7 3.075 1.767 6.617 67 HA PHE 7 HA PHE 7 4.450 0.981 4.254 68 HB2 PHE 7 HB2 PHE 7 5.500 1.798 6.970 69 HB3 PHE 7 HB1 PHE 7 6.500 1.581 5.538 70 HD1 PHE 7 HD2 PHE 7 5.648 2.950 3.426 71 HD2 PHE 7 HD1 PHE 7 4.814 3.923 7.484 72 HE1 PHE 7 HE2 PHE 7 5.225 5.284 2.775 73 HE2 PHE 7 HE1 PHE 7 4.388 6.259 6.840 74 HZ PHE 7 HZ PHE 7 4.594 6.943 4.483 75 H PHE 8 HN PHE 8 4.238 -0.341 7.522 76 HA PHE 8 HA PHE 8 6.047 -2.466 7.162 77 HB2 PHE 8 HB2 PHE 8 3.816 -1.908 9.083 78 HB3 PHE 8 HB1 PHE 8 4.558 -3.504 9.062 79 HD1 PHE 8 HD2 PHE 8 6.160 -0.192 8.558 80 HD2 PHE 8 HD1 PHE 8 5.726 -3.603 11.065 81 HE1 PHE 8 HE2 PHE 8 7.977 0.638 9.995 82 HE2 PHE 8 HE1 PHE 8 7.540 -2.778 12.508 83 HZ PHE 8 HZ PHE 8 8.669 -0.656 11.973 84 H ASP 9 HN ASP 9 2.599 -2.150 6.556 85 HA ASP 9 HA ASP 9 2.035 -4.854 6.039 86 HB2 ASP 9 HB2 ASP 9 0.728 -2.336 4.996 87 HB3 ASP 9 HB1 ASP 9 0.080 -3.950 4.743 88 H LYS 10 HN LYS 10 3.064 -2.219 3.925 89 HA LYS 10 HA LYS 10 2.925 -3.611 1.493 90 HB2 LYS 10 HB2 LYS 10 3.263 -1.099 1.895 91 HB3 LYS 10 HB1 LYS 10 4.968 -1.481 2.095 92 HG2 LYS 10 HG2 LYS 10 3.903 -2.665 -0.315 93 HG3 LYS 10 HG1 LYS 10 3.642 -0.921 -0.278 94 HD2 LYS 10 HD2 LYS 10 5.810 -0.495 -0.614 95 HD3 LYS 10 HD1 LYS 10 6.308 -1.658 0.616 96 HE2 LYS 10 HE2 LYS 10 5.299 -2.693 -1.984 97 HE3 LYS 10 HE1 LYS 10 6.914 -1.987 -1.937 98 HZ1 LYS 10 HZ1 LYS 10 6.903 -3.727 0.151 99 H PHE 11 HN PHE 11 5.422 -3.430 3.954 100 HA PHE 11 HA PHE 11 7.497 -4.654 2.489 101 HB2 PHE 11 HB2 PHE 11 7.960 -3.451 4.549 102 HB3 PHE 11 HB1 PHE 11 6.983 -4.589 5.471 103 HD1 PHE 11 HD1 PHE 11 9.786 -4.809 3.009 104 HD2 PHE 11 HD2 PHE 11 8.195 -6.034 6.761 105 HE1 PHE 11 HE1 PHE 11 11.778 -6.199 3.395 106 HE2 PHE 11 HE2 PHE 11 10.185 -7.427 7.155 107 HZ PHE 11 HZ PHE 11 11.980 -7.510 5.470 108 H ILE 12 HN ILE 12 4.918 -5.965 4.517 109 HA ILE 12 HA ILE 12 5.805 -8.646 4.517 110 HB ILE 12 HB ILE 12 2.955 -7.670 4.745 111 HG12 ILE 12 HG12 ILE 12 4.861 -8.251 7.012 112 HG13 ILE 12 HG11 ILE 12 4.650 -6.635 6.347 113 HG21 ILE 12 HG21 ILE 12 2.723 -9.936 4.531 114 HG22 ILE 12 HG22 ILE 12 2.963 -9.811 6.273 115 HG23 ILE 12 HG23 ILE 12 4.306 -10.276 5.230 116 HD11 ILE 12 HD11 ILE 12 2.139 -7.938 7.039 117 HD12 ILE 12 HD12 ILE 12 2.732 -6.325 7.434 118 HD13 ILE 12 HD13 ILE 12 3.225 -7.708 8.410 119 H LEU 13 HN LEU 13 3.579 -6.876 2.401 120 HA LEU 13 HA LEU 13 2.881 -9.130 0.817 121 HB2 LEU 13 HB2 LEU 13 2.595 -6.164 0.475 122 HB3 LEU 13 HB1 LEU 13 2.181 -7.257 -0.832 123 HG LEU 13 HG LEU 13 0.157 -6.760 0.283 124 HD11 LEU 13 HD11 LEU 13 -0.617 -8.893 0.984 125 HD12 LEU 13 HD12 LEU 13 1.009 -9.408 1.431 126 HD13 LEU 13 HD13 LEU 13 0.595 -9.167 -0.267 127 HD21 LEU 13 HD21 LEU 13 0.920 -5.813 2.322 128 HD22 LEU 13 HD22 LEU 13 1.662 -7.331 2.826 129 HD23 LEU 13 HD23 LEU 13 -0.094 -7.192 2.747 130 H ASP 14 HN ASP 14 5.374 -6.669 0.602 131 HA ASP 14 HA ASP 14 6.209 -7.264 -2.037 132 HB2 ASP 14 HB2 ASP 14 7.411 -5.794 0.277 133 HB3 ASP 14 HB1 ASP 14 8.421 -6.183 -1.113 134 H ARG 15 HN ARG 15 6.930 -8.664 1.074 135 HA ARG 15 HA ARG 15 9.116 -10.252 -0.010 136 HB2 ARG 15 HB2 ARG 15 8.127 -9.558 2.675 137 HB3 ARG 15 HB1 ARG 15 8.726 -11.203 2.518 138 HG2 ARG 15 HG2 ARG 15 10.616 -9.562 1.248 139 HG3 ARG 15 HG1 ARG 15 10.187 -8.753 2.756 140 HD2 ARG 15 HD2 ARG 15 11.739 -10.118 3.644 141 HD3 ARG 15 HD1 ARG 15 10.437 -11.306 3.612 142 HE ARG 15 HE ARG 15 11.546 -12.433 1.952 143 HH11 ARG 15 HH11 ARG 15 12.957 -9.262 2.315 144 HH12 ARG 15 HH12 ARG 15 14.298 -9.602 1.273 145 HH21 ARG 15 HH21 ARG 15 13.310 -12.882 0.581 146 HH22 ARG 15 HH22 ARG 15 14.498 -11.656 0.289 147 H LYS 16 HN LYS 16 5.805 -10.628 1.098 148 HA LYS 16 HA LYS 16 5.885 -13.502 0.648 149 HB2 LYS 16 HB2 LYS 16 4.569 -12.039 2.499 150 HB3 LYS 16 HB1 LYS 16 3.314 -12.188 1.277 151 HG2 LYS 16 HG2 LYS 16 3.520 -14.616 1.348 152 HG3 LYS 16 HG1 LYS 16 4.791 -14.474 2.565 153 HD2 LYS 16 HD2 LYS 16 2.765 -14.962 3.716 154 HD3 LYS 16 HD1 LYS 16 3.134 -13.262 4.011 155 HE2 LYS 16 HE2 LYS 16 0.746 -13.669 3.503 156 HE3 LYS 16 HE1 LYS 16 1.523 -12.574 2.361 157 HZ1 LYS 16 HZ1 LYS 16 0.040 -14.381 1.416 158 HZ2 LYS 16 HZ2 LYS 16 1.273 -15.469 1.813 159 HZ3 LYS 16 HZ3 LYS 16 1.573 -14.214 0.720 160 H LYS 17 HN LYS 17 3.530 -11.013 -0.276 161 HA LYS 17 HA LYS 17 2.536 -12.456 -2.481 162 HB2 LYS 17 HB2 LYS 17 1.252 -10.694 -1.361 163 HB3 LYS 17 HB1 LYS 17 2.405 -9.488 -1.917 164 HG2 LYS 17 HG2 LYS 17 1.787 -9.945 -4.228 165 HG3 LYS 17 HG1 LYS 17 0.649 -11.181 -3.685 166 HD2 LYS 17 HD2 LYS 17 -0.304 -9.202 -2.239 167 HD3 LYS 17 HD1 LYS 17 0.483 -8.211 -3.469 168 HE2 LYS 17 HE2 LYS 17 -0.793 -9.252 -5.211 169 HE3 LYS 17 HE1 LYS 17 -1.458 -10.433 -4.083 170 HZ1 LYS 17 HZ1 LYS 17 -2.869 -8.903 -3.170 171 HZ2 LYS 17 HZ2 LYS 17 -2.821 -8.338 -4.763 172 HZ3 LYS 17 HZ3 LYS 17 -1.897 -7.576 -3.569 173 HN1 NH2 18 HN1 NH2 18 3.660 -12.955 -4.227 174 HN2 NH2 18 HN2 NH2 18 4.765 -11.923 -5.063 Start of MODEL 2 1 H1 GLU 1 HN GLU 1 -6.028 6.956 14.720 2 HA GLU 1 HA GLU 1 -4.834 6.783 12.742 3 HB2 GLU 1 HB2 GLU 1 -2.721 8.220 12.944 4 HB3 GLU 1 HB1 GLU 1 -4.256 8.974 13.353 5 HG2 GLU 1 HG2 GLU 1 -3.726 8.371 15.766 6 HG3 GLU 1 HG1 GLU 1 -2.091 8.032 15.200 7 H NLE 2 HN NLE 2 -4.387 4.587 12.512 8 HA NLE 2 HA NLE 2 -1.881 3.579 13.627 9 HB2 NLE 2 HB2 NLE 2 -2.742 1.414 12.444 10 HB3 NLE 2 HB1 NLE 2 -3.481 1.944 13.948 11 HG2 NLE 2 HG2 NLE 2 -5.113 1.199 12.252 12 HG3 NLE 2 HG1 NLE 2 -5.355 2.869 12.769 13 HD2 NLE 2 HD2 NLE 2 -4.188 3.651 10.754 14 HD3 NLE 2 HD1 NLE 2 -3.974 1.975 10.236 15 HE1 NLE 2 HE1 NLE 2 -6.667 2.109 10.696 16 HE2 NLE 2 HE2 NLE 2 -5.891 2.282 9.122 17 HE3 NLE 2 HE3 NLE 2 -6.312 3.715 10.060 18 H ARG 3 HN ARG 3 -1.039 5.358 12.012 19 HA ARG 3 HA ARG 3 -0.937 4.826 9.262 20 HB2 ARG 3 HB2 ARG 3 0.926 6.382 9.190 21 HB3 ARG 3 HB1 ARG 3 -0.322 6.991 10.268 22 HG2 ARG 3 HG2 ARG 3 0.946 6.622 12.163 23 HG3 ARG 3 HG1 ARG 3 1.967 5.420 11.370 24 HD2 ARG 3 HD2 ARG 3 1.959 8.303 10.528 25 HD3 ARG 3 HD1 ARG 3 2.983 7.721 11.840 26 HE ARG 3 HE ARG 3 3.561 6.024 9.821 27 HH11 ARG 3 HH11 ARG 3 3.478 9.506 10.046 28 HH12 ARG 3 HH12 ARG 3 4.717 9.737 8.858 29 HH21 ARG 3 HH21 ARG 3 5.192 6.326 8.259 30 HH22 ARG 3 HH22 ARG 3 5.690 7.932 7.844 31 H LEU 4 HN LEU 4 0.627 3.270 11.882 32 HA LEU 4 HA LEU 4 2.846 2.264 10.338 33 HB2 LEU 4 HB2 LEU 4 3.040 2.707 12.757 34 HB3 LEU 4 HB1 LEU 4 1.851 1.457 13.071 35 HG LEU 4 HG LEU 4 3.612 -0.017 11.710 36 HD11 LEU 4 HD11 LEU 4 5.373 1.314 11.213 37 HD12 LEU 4 HD12 LEU 4 5.866 0.851 12.842 38 HD13 LEU 4 HD13 LEU 4 5.076 2.403 12.568 39 HD21 LEU 4 HD21 LEU 4 3.296 0.655 14.574 40 HD22 LEU 4 HD22 LEU 4 4.734 -0.261 14.121 41 HD23 LEU 4 HD23 LEU 4 3.131 -0.893 13.745 42 H LYS 5 HN LYS 5 0.870 1.574 8.812 43 HA LYS 5 HA LYS 5 0.734 -1.316 9.089 44 HB2 LYS 5 HB2 LYS 5 -1.380 -0.036 10.054 45 HB3 LYS 5 HB1 LYS 5 -1.825 0.022 8.354 46 HG2 LYS 5 HG2 LYS 5 -1.053 -2.550 9.686 47 HG3 LYS 5 HG1 LYS 5 -2.701 -1.923 9.752 48 HD2 LYS 5 HD2 LYS 5 -3.127 -2.594 7.668 49 HD3 LYS 5 HD1 LYS 5 -1.648 -1.853 7.056 50 HE2 LYS 5 HE2 LYS 5 -0.769 -4.077 8.468 51 HE3 LYS 5 HE1 LYS 5 -2.227 -4.632 7.648 52 HZ1 LYS 5 HZ1 LYS 5 0.162 -4.508 6.423 53 H LYS 6 HN LYS 6 -0.163 1.501 7.146 54 HA LYS 6 HA LYS 6 -0.610 0.351 4.700 55 HB2 LYS 6 HB2 LYS 6 -0.853 2.756 5.152 56 HB3 LYS 6 HB1 LYS 6 0.897 2.917 5.219 57 HG2 LYS 6 HG2 LYS 6 0.997 3.199 3.029 58 HG3 LYS 6 HG1 LYS 6 0.166 1.666 2.758 59 HD2 LYS 6 HD2 LYS 6 -1.183 4.305 3.328 60 HD3 LYS 6 HD1 LYS 6 -1.016 3.569 1.733 61 HE2 LYS 6 HE2 LYS 6 -2.257 1.585 2.605 62 HE3 LYS 6 HE1 LYS 6 -2.546 2.486 4.093 63 HZ1 LYS 6 HZ1 LYS 6 -3.751 2.803 1.467 64 HZ2 LYS 6 HZ2 LYS 6 -3.410 4.236 2.298 65 HZ3 LYS 6 HZ3 LYS 6 -4.412 3.069 3.002 66 H PHE 7 HN PHE 7 2.532 1.711 5.642 67 HA PHE 7 HA PHE 7 3.984 0.545 3.546 68 HB2 PHE 7 HB2 PHE 7 4.619 2.428 5.274 69 HB3 PHE 7 HB1 PHE 7 5.282 1.080 6.192 70 HD1 PHE 7 HD1 PHE 7 7.205 -0.148 5.388 71 HD2 PHE 7 HD2 PHE 7 5.609 3.125 3.186 72 HE1 PHE 7 HE1 PHE 7 9.261 -0.059 4.039 73 HE2 PHE 7 HE2 PHE 7 7.662 3.220 1.832 74 HZ PHE 7 HZ PHE 7 9.491 1.627 2.258 75 H PHE 8 HN PHE 8 2.960 -0.691 6.631 76 HA PHE 8 HA PHE 8 4.751 -2.876 6.796 77 HB2 PHE 8 HB2 PHE 8 2.581 -1.828 8.325 78 HB3 PHE 8 HB1 PHE 8 2.290 -3.545 8.066 79 HD1 PHE 8 HD1 PHE 8 4.997 -4.644 8.082 80 HD2 PHE 8 HD2 PHE 8 3.251 -1.630 10.526 81 HE1 PHE 8 HE1 PHE 8 6.588 -5.185 9.879 82 HE2 PHE 8 HE2 PHE 8 4.839 -2.164 12.328 83 HZ PHE 8 HZ PHE 8 6.511 -3.944 12.005 84 H ASP 9 HN ASP 9 1.456 -2.561 5.547 85 HA ASP 9 HA ASP 9 1.068 -5.247 4.848 86 HB2 ASP 9 HB2 ASP 9 -0.079 -2.789 3.509 87 HB3 ASP 9 HB1 ASP 9 -0.697 -4.426 3.345 88 H LYS 10 HN LYS 10 2.403 -2.538 3.022 89 HA LYS 10 HA LYS 10 2.767 -3.933 0.592 90 HB2 LYS 10 HB2 LYS 10 2.808 -1.398 1.020 91 HB3 LYS 10 HB1 LYS 10 4.482 -1.633 1.501 92 HG2 LYS 10 HG2 LYS 10 3.968 -2.911 -1.025 93 HG3 LYS 10 HG1 LYS 10 3.497 -1.211 -1.073 94 HD2 LYS 10 HD2 LYS 10 5.625 -0.500 -0.973 95 HD3 LYS 10 HD1 LYS 10 6.064 -1.696 0.248 96 HE2 LYS 10 HE2 LYS 10 5.545 -2.735 -2.465 97 HE3 LYS 10 HE1 LYS 10 6.983 -1.733 -2.283 98 HZ1 LYS 10 HZ1 LYS 10 7.670 -3.313 -0.504 99 H PHE 11 HN PHE 11 4.671 -3.661 3.503 100 HA PHE 11 HA PHE 11 7.106 -4.651 2.428 101 HB2 PHE 11 HB2 PHE 11 6.213 -3.658 4.911 102 HB3 PHE 11 HB1 PHE 11 6.813 -5.283 5.226 103 HD1 PHE 11 HD2 PHE 11 7.905 -2.510 2.977 104 HD2 PHE 11 HD1 PHE 11 8.932 -5.226 6.088 105 HE1 PHE 11 HE2 PHE 11 10.212 -1.654 2.957 106 HE2 PHE 11 HE1 PHE 11 11.241 -4.375 6.074 107 HZ PHE 11 HZ PHE 11 11.884 -2.587 4.507 108 H ILE 12 HN ILE 12 4.344 -6.170 4.026 109 HA ILE 12 HA ILE 12 5.448 -8.762 4.219 110 HB ILE 12 HB ILE 12 2.526 -8.032 3.975 111 HG12 ILE 12 HG12 ILE 12 3.970 -8.519 6.563 112 HG13 ILE 12 HG11 ILE 12 3.987 -6.920 5.827 113 HG21 ILE 12 HG21 ILE 12 2.600 -10.182 5.588 114 HG22 ILE 12 HG22 ILE 12 3.988 -10.526 4.555 115 HG23 ILE 12 HG23 ILE 12 2.395 -10.281 3.839 116 HD11 ILE 12 HD11 ILE 12 1.614 -8.475 6.806 117 HD12 ILE 12 HD12 ILE 12 1.477 -7.023 5.813 118 HD13 ILE 12 HD13 ILE 12 2.234 -6.936 7.404 119 H LEU 13 HN LEU 13 3.583 -7.135 1.704 120 HA LEU 13 HA LEU 13 3.346 -9.479 0.066 121 HB2 LEU 13 HB2 LEU 13 1.842 -7.366 0.126 122 HB3 LEU 13 HB1 LEU 13 3.049 -6.668 -0.938 123 HG LEU 13 HG LEU 13 2.660 -8.546 -2.532 124 HD11 LEU 13 HD11 LEU 13 0.271 -9.592 -2.043 125 HD12 LEU 13 HD12 LEU 13 0.791 -9.347 -0.375 126 HD13 LEU 13 HD13 LEU 13 1.761 -10.338 -1.465 127 HD21 LEU 13 HD21 LEU 13 1.581 -6.406 -2.881 128 HD22 LEU 13 HD22 LEU 13 0.266 -6.864 -1.800 129 HD23 LEU 13 HD23 LEU 13 0.485 -7.712 -3.330 130 H ASP 14 HN ASP 14 5.595 -6.828 0.365 131 HA ASP 14 HA ASP 14 6.937 -7.378 -2.123 132 HB2 ASP 14 HB2 ASP 14 7.614 -5.595 0.220 133 HB3 ASP 14 HB1 ASP 14 8.636 -5.741 -1.208 134 H ARG 15 HN ARG 15 7.297 -8.270 1.235 135 HA ARG 15 HA ARG 15 9.906 -9.459 0.810 136 HB2 ARG 15 HB2 ARG 15 9.166 -8.313 2.958 137 HB3 ARG 15 HB1 ARG 15 8.165 -9.727 3.258 138 HG2 ARG 15 HG2 ARG 15 10.173 -10.013 4.478 139 HG3 ARG 15 HG1 ARG 15 10.239 -11.120 3.105 140 HD2 ARG 15 HD2 ARG 15 11.387 -8.824 2.112 141 HD3 ARG 15 HD1 ARG 15 11.958 -8.863 3.780 142 HE ARG 15 HE ARG 15 12.850 -10.503 1.669 143 HH11 ARG 15 HH11 ARG 15 12.038 -10.657 5.059 144 HH12 ARG 15 HH12 ARG 15 13.107 -11.980 5.383 145 HH21 ARG 15 HH21 ARG 15 14.256 -12.244 2.093 146 HH22 ARG 15 HH22 ARG 15 14.366 -12.881 3.700 147 H LYS 16 HN LYS 16 6.564 -10.450 1.011 148 HA LYS 16 HA LYS 16 7.247 -13.270 1.095 149 HB2 LYS 16 HB2 LYS 16 4.585 -11.851 0.908 150 HB3 LYS 16 HB1 LYS 16 4.773 -13.596 1.009 151 HG2 LYS 16 HG2 LYS 16 6.003 -11.869 3.104 152 HG3 LYS 16 HG1 LYS 16 4.269 -12.196 3.145 153 HD2 LYS 16 HD2 LYS 16 5.004 -13.956 4.396 154 HD3 LYS 16 HD1 LYS 16 5.109 -14.686 2.793 155 HE2 LYS 16 HE2 LYS 16 7.513 -13.218 3.472 156 HE3 LYS 16 HE1 LYS 16 7.152 -14.468 4.661 157 HZ1 LYS 16 HZ1 LYS 16 8.482 -14.925 2.408 158 HZ2 LYS 16 HZ2 LYS 16 6.911 -15.260 1.878 159 HZ3 LYS 16 HZ3 LYS 16 7.558 -16.105 3.194 160 H LYS 17 HN LYS 17 8.454 -12.424 -1.069 161 HA LYS 17 HA LYS 17 6.888 -12.338 -3.433 162 HB2 LYS 17 HB2 LYS 17 9.694 -12.227 -2.727 163 HB3 LYS 17 HB1 LYS 17 9.446 -13.229 -4.151 164 HG2 LYS 17 HG2 LYS 17 8.257 -11.395 -5.239 165 HG3 LYS 17 HG1 LYS 17 8.501 -10.390 -3.809 166 HD2 LYS 17 HD2 LYS 17 10.745 -11.609 -5.411 167 HD3 LYS 17 HD1 LYS 17 10.125 -9.978 -5.671 168 HE2 LYS 17 HE2 LYS 17 11.693 -9.370 -4.188 169 HE3 LYS 17 HE1 LYS 17 10.555 -9.974 -2.984 170 HZ1 LYS 17 HZ1 LYS 17 12.907 -10.818 -2.825 171 HZ2 LYS 17 HZ2 LYS 17 12.608 -11.703 -4.235 172 HZ3 LYS 17 HZ3 LYS 17 11.700 -12.004 -2.840 173 HN1 NH2 18 HN1 NH2 18 7.794 -14.042 -5.230 174 HN2 NH2 18 HN2 NH2 18 7.449 -15.681 -4.808 Start of MODEL 3 1 H1 GLU 1 HN GLU 1 -1.279 10.002 11.051 2 HA GLU 1 HA GLU 1 -3.303 8.155 10.379 3 HB2 GLU 1 HB2 GLU 1 -1.038 8.193 8.388 4 HB3 GLU 1 HB1 GLU 1 -2.502 7.220 8.339 5 HG2 GLU 1 HG2 GLU 1 -3.536 9.728 8.358 6 HG3 GLU 1 HG1 GLU 1 -2.035 9.976 7.468 7 H NLE 2 HN NLE 2 -2.778 7.110 12.246 8 HA NLE 2 HA NLE 2 -0.026 6.215 12.647 9 HB2 NLE 2 HB2 NLE 2 -2.118 7.020 14.376 10 HB3 NLE 2 HB1 NLE 2 -1.814 5.321 14.709 11 HG2 NLE 2 HG2 NLE 2 0.671 6.735 14.474 12 HG3 NLE 2 HG1 NLE 2 -0.382 7.538 15.640 13 HD2 NLE 2 HD2 NLE 2 -0.135 4.574 15.776 14 HD3 NLE 2 HD1 NLE 2 1.217 5.553 16.355 15 HE1 NLE 2 HE1 NLE 2 0.005 6.434 18.091 16 HE2 NLE 2 HE2 NLE 2 -0.723 4.832 17.970 17 HE3 NLE 2 HE3 NLE 2 -1.538 6.227 17.262 18 H ARG 3 HN ARG 3 -1.476 5.032 10.507 19 HA ARG 3 HA ARG 3 -2.199 2.373 11.470 20 HB2 ARG 3 HB2 ARG 3 -3.530 3.739 9.717 21 HB3 ARG 3 HB1 ARG 3 -2.270 3.244 8.595 22 HG2 ARG 3 HG2 ARG 3 -3.742 1.564 8.234 23 HG3 ARG 3 HG1 ARG 3 -2.852 0.855 9.584 24 HD2 ARG 3 HD2 ARG 3 -4.808 2.389 10.804 25 HD3 ARG 3 HD1 ARG 3 -5.630 1.684 9.414 26 HE ARG 3 HE ARG 3 -4.103 -0.229 10.904 27 HH11 ARG 3 HH11 ARG 3 -7.162 1.443 10.725 28 HH12 ARG 3 HH12 ARG 3 -8.024 0.220 11.596 29 HH21 ARG 3 HH21 ARG 3 -5.237 -1.840 12.049 30 HH22 ARG 3 HH22 ARG 3 -6.931 -1.643 12.348 31 H LEU 4 HN LEU 4 0.247 2.380 12.051 32 HA LEU 4 HA LEU 4 2.020 1.790 9.853 33 HB2 LEU 4 HB2 LEU 4 2.446 2.816 12.307 34 HB3 LEU 4 HB1 LEU 4 2.823 1.133 12.625 35 HG LEU 4 HG LEU 4 4.274 1.523 10.375 36 HD11 LEU 4 HD11 LEU 4 3.867 4.179 11.651 37 HD12 LEU 4 HD12 LEU 4 4.050 3.758 9.948 38 HD13 LEU 4 HD13 LEU 4 5.460 3.781 11.008 39 HD21 LEU 4 HD21 LEU 4 6.111 1.298 11.731 40 HD22 LEU 4 HD22 LEU 4 4.835 0.758 12.822 41 HD23 LEU 4 HD23 LEU 4 5.477 2.395 12.958 42 H LYS 5 HN LYS 5 0.162 0.049 9.422 43 HA LYS 5 HA LYS 5 1.357 -2.501 10.184 44 HB2 LYS 5 HB2 LYS 5 -0.457 -2.220 11.779 45 HB3 LYS 5 HB1 LYS 5 -1.580 -1.854 10.481 46 HG2 LYS 5 HG2 LYS 5 -1.867 -4.128 11.313 47 HG3 LYS 5 HG1 LYS 5 -1.367 -4.113 9.622 48 HD2 LYS 5 HD2 LYS 5 1.041 -4.251 10.800 49 HD3 LYS 5 HD1 LYS 5 0.070 -5.064 12.026 50 HE2 LYS 5 HE2 LYS 5 0.941 -6.699 10.486 51 HE3 LYS 5 HE1 LYS 5 -0.805 -6.576 10.279 52 HZ1 LYS 5 HZ1 LYS 5 -0.221 -5.082 8.320 53 H LYS 6 HN LYS 6 -1.574 -1.430 8.515 54 HA LYS 6 HA LYS 6 -1.608 -3.292 6.494 55 HB2 LYS 6 HB2 LYS 6 -2.429 -0.402 6.181 56 HB3 LYS 6 HB1 LYS 6 -3.015 -1.768 5.243 57 HG2 LYS 6 HG2 LYS 6 -3.505 -1.232 8.163 58 HG3 LYS 6 HG1 LYS 6 -4.679 -1.147 6.849 59 HD2 LYS 6 HD2 LYS 6 -3.209 -3.655 7.647 60 HD3 LYS 6 HD1 LYS 6 -4.822 -3.227 8.222 61 HE2 LYS 6 HE2 LYS 6 -5.534 -4.390 6.441 62 HE3 LYS 6 HE1 LYS 6 -5.111 -2.940 5.532 63 HZ1 LYS 6 HZ1 LYS 6 -3.143 -3.878 4.797 64 HZ2 LYS 6 HZ2 LYS 6 -4.209 -5.191 4.747 65 HZ3 LYS 6 HZ3 LYS 6 -3.104 -5.046 6.020 66 H PHE 7 HN PHE 7 0.134 -0.228 6.590 67 HA PHE 7 HA PHE 7 1.154 -0.480 3.923 68 HB2 PHE 7 HB2 PHE 7 0.872 1.627 5.596 69 HB3 PHE 7 HB1 PHE 7 2.579 1.270 5.837 70 HD1 PHE 7 HD2 PHE 7 0.037 2.230 3.358 71 HD2 PHE 7 HD1 PHE 7 4.187 1.731 4.154 72 HE1 PHE 7 HE2 PHE 7 0.575 3.436 1.282 73 HE2 PHE 7 HE1 PHE 7 4.734 2.938 2.080 74 HZ PHE 7 HZ PHE 7 2.926 3.791 0.641 75 H PHE 8 HN PHE 8 2.398 -1.074 7.168 76 HA PHE 8 HA PHE 8 5.041 -1.708 6.408 77 HB2 PHE 8 HB2 PHE 8 3.918 -1.279 8.779 78 HB3 PHE 8 HB1 PHE 8 3.804 -3.035 8.776 79 HD1 PHE 8 HD2 PHE 8 6.203 -4.005 7.650 80 HD2 PHE 8 HD1 PHE 8 5.643 -0.574 10.104 81 HE1 PHE 8 HE2 PHE 8 8.543 -4.159 8.393 82 HE2 PHE 8 HE1 PHE 8 7.983 -0.721 10.851 83 HZ PHE 8 HZ PHE 8 9.436 -2.517 9.996 84 H ASP 9 HN ASP 9 2.189 -3.711 6.992 85 HA ASP 9 HA ASP 9 3.385 -6.205 6.533 86 HB2 ASP 9 HB2 ASP 9 0.557 -5.202 6.354 87 HB3 ASP 9 HB1 ASP 9 0.951 -6.853 5.887 88 H LYS 10 HN LYS 10 1.873 -3.889 4.350 89 HA LYS 10 HA LYS 10 1.884 -5.467 2.032 90 HB2 LYS 10 HB2 LYS 10 0.596 -3.436 2.096 91 HB3 LYS 10 HB1 LYS 10 2.034 -2.473 2.401 92 HG2 LYS 10 HG2 LYS 10 1.770 -2.053 0.190 93 HG3 LYS 10 HG1 LYS 10 2.776 -3.495 0.076 94 HD2 LYS 10 HD2 LYS 10 -0.211 -3.726 0.125 95 HD3 LYS 10 HD1 LYS 10 0.625 -3.313 -1.371 96 HE2 LYS 10 HE2 LYS 10 0.624 -5.853 0.177 97 HE3 LYS 10 HE1 LYS 10 0.538 -5.593 -1.564 98 HZ1 LYS 10 HZ1 LYS 10 2.910 -5.902 0.034 99 H PHE 11 HN PHE 11 4.294 -3.238 3.345 100 HA PHE 11 HA PHE 11 6.140 -3.338 1.265 101 HB2 PHE 11 HB2 PHE 11 6.042 -2.255 3.858 102 HB3 PHE 11 HB1 PHE 11 7.489 -3.256 3.818 103 HD1 PHE 11 HD2 PHE 11 8.393 -2.943 1.061 104 HD2 PHE 11 HD1 PHE 11 6.782 -0.069 3.755 105 HE1 PHE 11 HE2 PHE 11 9.596 -1.158 -0.131 106 HE2 PHE 11 HE1 PHE 11 7.981 1.721 2.568 107 HZ PHE 11 HZ PHE 11 9.391 1.178 0.623 108 H ILE 12 HN ILE 12 5.762 -5.482 4.058 109 HA ILE 12 HA ILE 12 8.030 -7.096 3.374 110 HB ILE 12 HB ILE 12 5.773 -7.831 5.232 111 HG12 ILE 12 HG12 ILE 12 8.341 -6.384 5.909 112 HG13 ILE 12 HG11 ILE 12 6.769 -5.604 5.773 113 HG21 ILE 12 HG21 ILE 12 7.450 -9.239 6.304 114 HG22 ILE 12 HG22 ILE 12 8.653 -8.716 5.125 115 HG23 ILE 12 HG23 ILE 12 7.260 -9.665 4.604 116 HD11 ILE 12 HD11 ILE 12 7.468 -7.775 7.734 117 HD12 ILE 12 HD12 ILE 12 5.930 -6.921 7.621 118 HD13 ILE 12 HD13 ILE 12 7.390 -6.051 8.092 119 H LEU 13 HN LEU 13 4.519 -7.415 2.999 120 HA LEU 13 HA LEU 13 4.636 -10.047 1.927 121 HB2 LEU 13 HB2 LEU 13 2.637 -8.337 2.819 122 HB3 LEU 13 HB1 LEU 13 2.305 -8.517 1.107 123 HG LEU 13 HG LEU 13 2.758 -10.928 2.835 124 HD11 LEU 13 HD11 LEU 13 -0.024 -10.123 2.311 125 HD12 LEU 13 HD12 LEU 13 0.839 -9.159 3.510 126 HD13 LEU 13 HD13 LEU 13 0.690 -10.904 3.723 127 HD21 LEU 13 HD21 LEU 13 1.447 -10.360 0.195 128 HD22 LEU 13 HD22 LEU 13 1.127 -11.843 1.095 129 HD23 LEU 13 HD23 LEU 13 2.766 -11.473 0.557 130 H ASP 14 HN ASP 14 4.522 -6.830 0.495 131 HA ASP 14 HA ASP 14 4.221 -7.734 -2.185 132 HB2 ASP 14 HB2 ASP 14 5.076 -5.116 -0.966 133 HB3 ASP 14 HB1 ASP 14 5.112 -5.369 -2.707 134 H ARG 15 HN ARG 15 6.976 -6.997 -0.127 135 HA ARG 15 HA ARG 15 8.891 -7.337 -2.250 136 HB2 ARG 15 HB2 ARG 15 9.078 -5.912 -0.058 137 HB3 ARG 15 HB1 ARG 15 9.620 -7.426 0.653 138 HG2 ARG 15 HG2 ARG 15 10.878 -6.249 -1.807 139 HG3 ARG 15 HG1 ARG 15 11.417 -5.860 -0.172 140 HD2 ARG 15 HD2 ARG 15 11.482 -8.507 -1.589 141 HD3 ARG 15 HD1 ARG 15 12.825 -7.599 -0.896 142 HE ARG 15 HE ARG 15 11.093 -9.424 0.465 143 HH11 ARG 15 HH11 ARG 15 13.093 -6.593 0.871 144 HH12 ARG 15 HH12 ARG 15 13.366 -6.874 2.558 145 HH21 ARG 15 HH21 ARG 15 11.450 -9.795 2.684 146 HH22 ARG 15 HH22 ARG 15 12.434 -8.692 3.587 147 H LYS 16 HN LYS 16 7.758 -9.214 0.520 148 HA LYS 16 HA LYS 16 9.408 -11.479 -0.312 149 HB2 LYS 16 HB2 LYS 16 8.912 -10.554 2.161 150 HB3 LYS 16 HB1 LYS 16 7.592 -11.707 2.025 151 HG2 LYS 16 HG2 LYS 16 10.360 -12.563 1.323 152 HG3 LYS 16 HG1 LYS 16 9.888 -12.434 3.019 153 HD2 LYS 16 HD2 LYS 16 7.917 -13.826 1.377 154 HD3 LYS 16 HD1 LYS 16 9.493 -14.621 1.397 155 HE2 LYS 16 HE2 LYS 16 8.668 -15.571 3.273 156 HE3 LYS 16 HE1 LYS 16 9.234 -14.072 4.010 157 HZ1 LYS 16 HZ1 LYS 16 6.523 -14.991 3.524 158 HZ2 LYS 16 HZ2 LYS 16 6.799 -13.348 3.233 159 HZ3 LYS 16 HZ3 LYS 16 7.128 -14.003 4.757 160 H LYS 17 HN LYS 17 8.010 -11.577 -2.299 161 HA LYS 17 HA LYS 17 5.384 -12.768 -1.859 162 HB2 LYS 17 HB2 LYS 17 5.072 -12.546 -4.257 163 HB3 LYS 17 HB1 LYS 17 5.636 -11.024 -3.583 164 HG2 LYS 17 HG2 LYS 17 7.733 -11.224 -4.546 165 HG3 LYS 17 HG1 LYS 17 7.577 -12.969 -4.760 166 HD2 LYS 17 HD2 LYS 17 5.782 -12.532 -6.436 167 HD3 LYS 17 HD1 LYS 17 6.135 -10.809 -6.293 168 HE2 LYS 17 HE2 LYS 17 8.039 -10.968 -7.491 169 HE3 LYS 17 HE1 LYS 17 8.462 -12.535 -6.802 170 HZ1 LYS 17 HZ1 LYS 17 7.980 -12.692 -9.167 171 HZ2 LYS 17 HZ2 LYS 17 6.424 -12.078 -8.915 172 HZ3 LYS 17 HZ3 LYS 17 6.855 -13.579 -8.265 173 HN1 NH2 18 HN1 NH2 18 8.590 -13.633 -2.893 174 HN2 NH2 18 HN2 NH2 18 8.285 -15.316 -3.133 Start of MODEL 4 1 H1 GLU 1 HN GLU 1 -7.060 5.630 13.152 2 HA GLU 1 HA GLU 1 -6.153 5.769 10.356 3 HB2 GLU 1 HB2 GLU 1 -6.418 7.944 11.479 4 HB3 GLU 1 HB1 GLU 1 -5.292 7.433 12.730 5 HG2 GLU 1 HG2 GLU 1 -3.740 8.437 11.495 6 HG3 GLU 1 HG1 GLU 1 -3.843 7.018 10.453 7 H NLE 2 HN NLE 2 -4.961 3.988 9.987 8 HA NLE 2 HA NLE 2 -3.120 3.009 12.017 9 HB2 NLE 2 HB2 NLE 2 -4.446 1.905 9.671 10 HB3 NLE 2 HB1 NLE 2 -2.739 1.488 9.721 11 HG2 NLE 2 HG2 NLE 2 -4.581 1.078 12.058 12 HG3 NLE 2 HG1 NLE 2 -4.321 -0.142 10.809 13 HD2 NLE 2 HD2 NLE 2 -2.373 -0.758 11.711 14 HD3 NLE 2 HD1 NLE 2 -1.811 0.915 11.796 15 HE1 NLE 2 HE1 NLE 2 -2.841 1.234 13.911 16 HE2 NLE 2 HE2 NLE 2 -1.967 -0.295 13.996 17 HE3 NLE 2 HE3 NLE 2 -3.718 -0.291 13.787 18 H ARG 3 HN ARG 3 -1.368 4.302 12.159 19 HA ARG 3 HA ARG 3 -0.045 5.223 9.729 20 HB2 ARG 3 HB2 ARG 3 0.812 5.784 12.562 21 HB3 ARG 3 HB1 ARG 3 1.196 6.700 11.111 22 HG2 ARG 3 HG2 ARG 3 -1.207 7.301 10.924 23 HG3 ARG 3 HG1 ARG 3 -1.481 6.500 12.472 24 HD2 ARG 3 HD2 ARG 3 -1.231 8.876 12.822 25 HD3 ARG 3 HD1 ARG 3 0.149 8.027 13.517 26 HE ARG 3 HE ARG 3 1.500 9.157 12.071 27 HH11 ARG 3 HH11 ARG 3 -1.758 9.243 10.821 28 HH12 ARG 3 HH12 ARG 3 -1.362 10.307 9.514 29 HH21 ARG 3 HH21 ARG 3 2.023 10.557 10.351 30 HH22 ARG 3 HH22 ARG 3 0.784 11.052 9.246 31 H LEU 4 HN LEU 4 0.465 3.046 12.432 32 HA LEU 4 HA LEU 4 3.128 2.353 11.444 33 HB2 LEU 4 HB2 LEU 4 1.638 1.882 13.987 34 HB3 LEU 4 HB1 LEU 4 2.930 0.779 13.552 35 HG LEU 4 HG LEU 4 4.528 2.620 13.505 36 HD11 LEU 4 HD11 LEU 4 2.061 4.227 13.741 37 HD12 LEU 4 HD12 LEU 4 3.572 4.578 12.903 38 HD13 LEU 4 HD13 LEU 4 3.463 4.791 14.650 39 HD21 LEU 4 HD21 LEU 4 4.020 3.385 16.012 40 HD22 LEU 4 HD22 LEU 4 4.631 1.780 15.609 41 HD23 LEU 4 HD23 LEU 4 2.909 2.019 15.908 42 H LYS 5 HN LYS 5 1.674 1.563 9.515 43 HA LYS 5 HA LYS 5 1.692 -1.312 9.662 44 HB2 LYS 5 HB2 LYS 5 -0.731 0.007 10.180 45 HB3 LYS 5 HB1 LYS 5 -0.863 -0.581 8.529 46 HG2 LYS 5 HG2 LYS 5 -0.251 -2.220 10.979 47 HG3 LYS 5 HG1 LYS 5 -1.753 -2.216 10.053 48 HD2 LYS 5 HD2 LYS 5 0.935 -3.017 8.945 49 HD3 LYS 5 HD1 LYS 5 -0.270 -4.151 9.556 50 HE2 LYS 5 HE2 LYS 5 -1.309 -4.138 7.593 51 HE3 LYS 5 HE1 LYS 5 -1.529 -2.392 7.700 52 HZ1 LYS 5 HZ1 LYS 5 1.051 -2.702 6.872 53 H LYS 6 HN LYS 6 0.765 1.532 7.780 54 HA LYS 6 HA LYS 6 0.617 0.604 5.245 55 HB2 LYS 6 HB2 LYS 6 1.627 3.130 6.419 56 HB3 LYS 6 HB1 LYS 6 2.000 2.840 4.725 57 HG2 LYS 6 HG2 LYS 6 -0.779 2.717 5.869 58 HG3 LYS 6 HG1 LYS 6 -0.075 4.159 5.134 59 HD2 LYS 6 HD2 LYS 6 -0.156 3.289 3.023 60 HD3 LYS 6 HD1 LYS 6 0.028 1.626 3.585 61 HE2 LYS 6 HE2 LYS 6 -2.303 1.789 4.507 62 HE3 LYS 6 HE1 LYS 6 -2.450 3.336 3.676 63 HZ1 LYS 6 HZ1 LYS 6 -3.353 1.397 2.435 64 HZ2 LYS 6 HZ2 LYS 6 -1.778 0.795 2.301 65 HZ3 LYS 6 HZ3 LYS 6 -2.181 2.273 1.585 66 H PHE 7 HN PHE 7 3.679 1.671 6.698 67 HA PHE 7 HA PHE 7 5.319 0.797 4.602 68 HB2 PHE 7 HB2 PHE 7 5.675 1.864 7.274 69 HB3 PHE 7 HB1 PHE 7 6.876 0.626 6.919 70 HD1 PHE 7 HD2 PHE 7 7.366 1.000 4.075 71 HD2 PHE 7 HD1 PHE 7 6.770 3.890 7.141 72 HE1 PHE 7 HE2 PHE 7 8.669 2.637 2.780 73 HE2 PHE 7 HE1 PHE 7 8.071 5.533 5.851 74 HZ PHE 7 HZ PHE 7 9.023 4.906 3.668 75 H PHE 8 HN PHE 8 4.338 -0.803 7.595 76 HA PHE 8 HA PHE 8 5.896 -3.121 7.292 77 HB2 PHE 8 HB2 PHE 8 3.774 -2.199 9.033 78 HB3 PHE 8 HB1 PHE 8 3.554 -3.898 8.627 79 HD1 PHE 8 HD1 PHE 8 6.428 -1.668 9.483 80 HD2 PHE 8 HD2 PHE 8 4.412 -5.353 10.163 81 HE1 PHE 8 HE1 PHE 8 8.125 -2.282 11.155 82 HE2 PHE 8 HE2 PHE 8 6.105 -5.974 11.838 83 HZ PHE 8 HZ PHE 8 7.964 -4.438 12.336 84 H ASP 9 HN ASP 9 2.777 -2.197 5.997 85 HA ASP 9 HA ASP 9 1.954 -4.738 5.102 86 HB2 ASP 9 HB2 ASP 9 1.227 -1.922 4.387 87 HB3 ASP 9 HB1 ASP 9 0.641 -3.245 3.383 88 H LYS 10 HN LYS 10 3.749 -2.140 3.509 89 HA LYS 10 HA LYS 10 3.983 -3.359 0.991 90 HB2 LYS 10 HB2 LYS 10 4.503 -1.022 1.248 91 HB3 LYS 10 HB1 LYS 10 5.770 -1.379 2.412 92 HG2 LYS 10 HG2 LYS 10 7.059 -1.033 0.587 93 HG3 LYS 10 HG1 LYS 10 6.745 -2.752 0.358 94 HD2 LYS 10 HD2 LYS 10 4.964 -0.653 -0.842 95 HD3 LYS 10 HD1 LYS 10 6.435 -1.187 -1.655 96 HE2 LYS 10 HE2 LYS 10 3.919 -2.694 -1.091 97 HE3 LYS 10 HE1 LYS 10 4.836 -2.568 -2.590 98 HZ1 LYS 10 HZ1 LYS 10 5.224 -4.469 -0.472 99 H PHE 11 HN PHE 11 5.853 -3.670 3.943 100 HA PHE 11 HA PHE 11 8.049 -5.076 2.922 101 HB2 PHE 11 HB2 PHE 11 7.989 -4.113 5.185 102 HB3 PHE 11 HB1 PHE 11 6.780 -5.302 5.659 103 HD1 PHE 11 HD1 PHE 11 9.912 -5.686 3.685 104 HD2 PHE 11 HD2 PHE 11 7.777 -6.660 7.235 105 HE1 PHE 11 HE1 PHE 11 11.704 -7.243 4.330 106 HE2 PHE 11 HE2 PHE 11 9.566 -8.219 7.888 107 HZ PHE 11 HZ PHE 11 11.533 -8.511 6.435 108 H ILE 12 HN ILE 12 5.015 -6.299 4.339 109 HA ILE 12 HA ILE 12 5.709 -9.029 3.721 110 HB ILE 12 HB ILE 12 3.505 -9.609 4.606 111 HG12 ILE 12 HG12 ILE 12 2.274 -7.564 5.708 112 HG13 ILE 12 HG11 ILE 12 3.105 -6.643 4.460 113 HG21 ILE 12 HG21 ILE 12 5.283 -7.779 6.161 114 HG22 ILE 12 HG22 ILE 12 5.077 -9.525 6.297 115 HG23 ILE 12 HG23 ILE 12 3.825 -8.440 6.900 116 HD11 ILE 12 HD11 ILE 12 1.857 -8.963 3.323 117 HD12 ILE 12 HD12 ILE 12 1.619 -7.257 2.944 118 HD13 ILE 12 HD13 ILE 12 0.690 -8.010 4.240 119 H LEU 13 HN LEU 13 3.796 -6.494 2.259 120 HA LEU 13 HA LEU 13 2.387 -8.212 0.463 121 HB2 LEU 13 HB2 LEU 13 1.754 -5.839 1.242 122 HB3 LEU 13 HB1 LEU 13 2.867 -5.284 0.006 123 HG LEU 13 HG LEU 13 1.316 -7.010 -1.425 124 HD11 LEU 13 HD11 LEU 13 -0.347 -5.866 0.792 125 HD12 LEU 13 HD12 LEU 13 -0.286 -7.523 0.192 126 HD13 LEU 13 HD13 LEU 13 -1.044 -6.261 -0.779 127 HD21 LEU 13 HD21 LEU 13 1.997 -4.661 -1.946 128 HD22 LEU 13 HD22 LEU 13 0.641 -4.111 -0.961 129 HD23 LEU 13 HD23 LEU 13 0.346 -5.067 -2.413 130 H ASP 14 HN ASP 14 5.314 -6.259 0.248 131 HA ASP 14 HA ASP 14 5.720 -6.783 -2.537 132 HB2 ASP 14 HB2 ASP 14 7.471 -5.634 -0.369 133 HB3 ASP 14 HB1 ASP 14 8.087 -5.940 -1.989 134 H ARG 15 HN ARG 15 6.891 -8.162 0.489 135 HA ARG 15 HA ARG 15 8.439 -10.164 -0.974 136 HB2 ARG 15 HB2 ARG 15 8.269 -9.392 1.931 137 HB3 ARG 15 HB1 ARG 15 9.064 -10.873 1.416 138 HG2 ARG 15 HG2 ARG 15 10.413 -9.324 -0.153 139 HG3 ARG 15 HG1 ARG 15 9.856 -8.036 0.917 140 HD2 ARG 15 HD2 ARG 15 11.127 -8.746 2.657 141 HD3 ARG 15 HD1 ARG 15 10.978 -10.445 2.213 142 HE ARG 15 HE ARG 15 12.885 -10.258 0.951 143 HH11 ARG 15 HH11 ARG 15 11.775 -7.067 1.829 144 HH12 ARG 15 HH12 ARG 15 13.207 -6.277 1.260 145 HH21 ARG 15 HH21 ARG 15 14.768 -9.220 0.204 146 HH22 ARG 15 HH22 ARG 15 14.906 -7.499 0.337 147 H LYS 16 HN LYS 16 5.334 -9.906 -0.478 148 HA LYS 16 HA LYS 16 4.368 -11.966 1.044 149 HB2 LYS 16 HB2 LYS 16 3.168 -10.209 -0.488 150 HB3 LYS 16 HB1 LYS 16 3.201 -11.508 -1.672 151 HG2 LYS 16 HG2 LYS 16 2.150 -12.925 0.228 152 HG3 LYS 16 HG1 LYS 16 1.742 -11.357 0.927 153 HD2 LYS 16 HD2 LYS 16 0.991 -11.078 -1.708 154 HD3 LYS 16 HD1 LYS 16 0.572 -12.755 -1.350 155 HE2 LYS 16 HE2 LYS 16 -1.339 -11.475 -0.814 156 HE3 LYS 16 HE1 LYS 16 -0.583 -11.891 0.723 157 HZ1 LYS 16 HZ1 LYS 16 -1.360 -9.478 0.287 158 HZ2 LYS 16 HZ2 LYS 16 0.084 -9.341 -0.583 159 HZ3 LYS 16 HZ3 LYS 16 0.122 -9.744 1.059 160 H LYS 17 HN LYS 17 5.748 -12.153 -2.191 161 HA LYS 17 HA LYS 17 5.180 -14.955 -2.485 162 HB2 LYS 17 HB2 LYS 17 6.761 -12.953 -4.073 163 HB3 LYS 17 HB1 LYS 17 6.844 -14.668 -4.451 164 HG2 LYS 17 HG2 LYS 17 4.274 -13.111 -4.337 165 HG3 LYS 17 HG1 LYS 17 5.210 -13.360 -5.811 166 HD2 LYS 17 HD2 LYS 17 4.178 -15.599 -4.076 167 HD3 LYS 17 HD1 LYS 17 3.319 -14.971 -5.484 168 HE2 LYS 17 HE2 LYS 17 5.280 -15.523 -6.881 169 HE3 LYS 17 HE1 LYS 17 6.064 -16.222 -5.465 170 HZ1 LYS 17 HZ1 LYS 17 5.002 -17.910 -6.839 171 HZ2 LYS 17 HZ2 LYS 17 3.502 -17.154 -6.643 172 HZ3 LYS 17 HZ3 LYS 17 4.285 -17.837 -5.308 173 HN1 NH2 18 HN1 NH2 18 8.272 -13.199 -2.415 174 HN2 NH2 18 HN2 NH2 18 9.155 -14.433 -1.590 Start of MODEL 5 1 H1 GLU 1 HN GLU 1 -3.418 -1.283 11.106 2 HA GLU 1 HA GLU 1 -2.551 -0.278 9.254 3 HB2 GLU 1 HB2 GLU 1 -5.480 -0.083 8.708 4 HB3 GLU 1 HB1 GLU 1 -4.377 0.858 7.713 5 HG2 GLU 1 HG2 GLU 1 -4.810 -1.197 6.599 6 HG3 GLU 1 HG1 GLU 1 -3.151 -1.240 7.195 7 H NLE 2 HN NLE 2 -1.833 1.151 11.117 8 HA NLE 2 HA NLE 2 -3.048 3.788 11.167 9 HB2 NLE 2 HB2 NLE 2 -1.819 2.320 13.090 10 HB3 NLE 2 HB1 NLE 2 -0.490 3.347 12.574 11 HG2 NLE 2 HG2 NLE 2 -1.348 5.149 13.569 12 HG3 NLE 2 HG1 NLE 2 -2.977 4.809 12.982 13 HD2 NLE 2 HD2 NLE 2 -3.431 4.379 15.145 14 HD3 NLE 2 HD1 NLE 2 -2.635 2.833 14.832 15 HE1 NLE 2 HE1 NLE 2 -0.835 3.376 16.071 16 HE2 NLE 2 HE2 NLE 2 -1.934 4.542 16.809 17 HE3 NLE 2 HE3 NLE 2 -0.838 5.053 15.525 18 H ARG 3 HN ARG 3 -0.889 5.437 11.536 19 HA ARG 3 HA ARG 3 -0.155 6.105 8.931 20 HB2 ARG 3 HB2 ARG 3 0.697 6.947 11.646 21 HB3 ARG 3 HB1 ARG 3 1.768 7.357 10.313 22 HG2 ARG 3 HG2 ARG 3 0.404 9.221 10.520 23 HG3 ARG 3 HG1 ARG 3 -0.324 8.322 9.188 24 HD2 ARG 3 HD2 ARG 3 -1.539 7.314 11.485 25 HD3 ARG 3 HD1 ARG 3 -1.443 9.054 11.750 26 HE ARG 3 HE ARG 3 -2.410 8.848 9.225 27 HH11 ARG 3 HH11 ARG 3 -3.386 7.504 12.295 28 HH12 ARG 3 HH12 ARG 3 -5.065 7.442 11.875 29 HH21 ARG 3 HH21 ARG 3 -4.618 8.768 8.672 30 HH22 ARG 3 HH22 ARG 3 -5.764 8.160 9.819 31 H LEU 4 HN LEU 4 2.247 5.257 11.386 32 HA LEU 4 HA LEU 4 3.995 4.198 9.337 33 HB2 LEU 4 HB2 LEU 4 4.249 4.950 12.194 34 HB3 LEU 4 HB1 LEU 4 5.337 3.706 11.610 35 HG LEU 4 HG LEU 4 6.139 5.248 9.856 36 HD11 LEU 4 HD11 LEU 4 5.412 7.419 9.611 37 HD12 LEU 4 HD12 LEU 4 4.749 7.495 11.244 38 HD13 LEU 4 HD13 LEU 4 3.907 6.582 9.992 39 HD21 LEU 4 HD21 LEU 4 6.302 6.222 12.703 40 HD22 LEU 4 HD22 LEU 4 7.328 6.807 11.393 41 HD23 LEU 4 HD23 LEU 4 7.404 5.115 11.885 42 H LYS 5 HN LYS 5 1.997 2.579 9.138 43 HA LYS 5 HA LYS 5 2.994 0.071 10.180 44 HB2 LYS 5 HB2 LYS 5 0.975 1.333 11.592 45 HB3 LYS 5 HB1 LYS 5 0.106 0.190 10.576 46 HG2 LYS 5 HG2 LYS 5 2.291 -0.428 12.551 47 HG3 LYS 5 HG1 LYS 5 0.582 -0.849 12.675 48 HD2 LYS 5 HD2 LYS 5 2.335 -1.817 10.429 49 HD3 LYS 5 HD1 LYS 5 2.153 -2.703 11.944 50 HE2 LYS 5 HE2 LYS 5 0.142 -3.484 11.361 51 HE3 LYS 5 HE1 LYS 5 -0.398 -1.903 10.798 52 HZ1 LYS 5 HZ1 LYS 5 0.072 -2.559 8.665 53 H LYS 6 HN LYS 6 0.494 1.729 8.315 54 HA LYS 6 HA LYS 6 -0.480 -0.404 6.840 55 HB2 LYS 6 HB2 LYS 6 -0.500 2.496 6.630 56 HB3 LYS 6 HB1 LYS 6 -0.470 1.727 5.049 57 HG2 LYS 6 HG2 LYS 6 -2.396 0.669 7.033 58 HG3 LYS 6 HG1 LYS 6 -2.725 2.260 6.343 59 HD2 LYS 6 HD2 LYS 6 -2.215 -0.262 4.766 60 HD3 LYS 6 HD1 LYS 6 -3.800 0.455 5.065 61 HE2 LYS 6 HE2 LYS 6 -2.574 2.587 4.040 62 HE3 LYS 6 HE1 LYS 6 -1.623 1.329 3.252 63 HZ1 LYS 6 HZ1 LYS 6 -3.453 1.903 1.855 64 HZ2 LYS 6 HZ2 LYS 6 -4.566 1.685 3.110 65 HZ3 LYS 6 HZ3 LYS 6 -3.740 0.354 2.472 66 H PHE 7 HN PHE 7 2.307 1.667 6.180 67 HA PHE 7 HA PHE 7 2.964 0.332 3.734 68 HB2 PHE 7 HB2 PHE 7 4.301 2.104 3.426 69 HB3 PHE 7 HB1 PHE 7 3.699 2.732 4.953 70 HD1 PHE 7 HD2 PHE 7 6.378 0.634 3.476 71 HD2 PHE 7 HD1 PHE 7 5.144 3.052 6.752 72 HE1 PHE 7 HE2 PHE 7 8.656 0.537 4.399 73 HE2 PHE 7 HE1 PHE 7 7.421 2.962 7.681 74 HZ PHE 7 HZ PHE 7 9.180 1.702 6.505 75 H PHE 8 HN PHE 8 3.903 0.028 7.093 76 HA PHE 8 HA PHE 8 6.165 -1.608 6.743 77 HB2 PHE 8 HB2 PHE 8 4.317 -0.984 8.987 78 HB3 PHE 8 HB1 PHE 8 5.306 -2.433 9.140 79 HD1 PHE 8 HD1 PHE 8 7.749 -2.266 9.213 80 HD2 PHE 8 HD2 PHE 8 5.277 1.196 9.112 81 HE1 PHE 8 HE1 PHE 8 9.650 -0.892 9.955 82 HE2 PHE 8 HE2 PHE 8 7.173 2.577 9.853 83 HZ PHE 8 HZ PHE 8 9.364 1.533 10.275 84 H ASP 9 HN ASP 9 2.852 -2.518 7.639 85 HA ASP 9 HA ASP 9 3.216 -5.287 7.436 86 HB2 ASP 9 HB2 ASP 9 0.668 -3.713 6.994 87 HB3 ASP 9 HB1 ASP 9 0.770 -5.433 7.355 88 H LYS 10 HN LYS 10 2.387 -2.862 5.039 89 HA LYS 10 HA LYS 10 1.658 -4.642 2.965 90 HB2 LYS 10 HB2 LYS 10 1.049 -2.280 2.899 91 HB3 LYS 10 HB1 LYS 10 2.745 -1.823 2.826 92 HG2 LYS 10 HG2 LYS 10 1.799 -1.641 0.638 93 HG3 LYS 10 HG1 LYS 10 2.921 -3.003 0.654 94 HD2 LYS 10 HD2 LYS 10 0.632 -4.265 1.312 95 HD3 LYS 10 HD1 LYS 10 -0.011 -2.958 0.314 96 HE2 LYS 10 HE2 LYS 10 0.509 -5.031 -0.957 97 HE3 LYS 10 HE1 LYS 10 1.373 -3.605 -1.532 98 HZ1 LYS 10 HZ1 LYS 10 2.613 -5.646 0.199 99 H PHE 11 HN PHE 11 4.722 -3.326 4.050 100 HA PHE 11 HA PHE 11 6.263 -4.127 1.813 101 HB2 PHE 11 HB2 PHE 11 6.785 -3.099 4.526 102 HB3 PHE 11 HB1 PHE 11 8.064 -4.113 3.864 103 HD1 PHE 11 HD2 PHE 11 5.798 -1.694 2.173 104 HD2 PHE 11 HD1 PHE 11 9.783 -2.680 3.294 105 HE1 PHE 11 HE2 PHE 11 6.633 0.219 0.871 106 HE2 PHE 11 HE1 PHE 11 10.626 -0.769 1.994 107 HZ PHE 11 HZ PHE 11 9.050 0.683 0.780 108 H ILE 12 HN ILE 12 5.361 -5.707 4.825 109 HA ILE 12 HA ILE 12 7.063 -7.970 4.471 110 HB ILE 12 HB ILE 12 4.562 -7.830 6.153 111 HG12 ILE 12 HG12 ILE 12 7.400 -7.080 6.893 112 HG13 ILE 12 HG11 ILE 12 6.066 -5.951 6.678 113 HG21 ILE 12 HG21 ILE 12 5.459 -9.630 7.383 114 HG22 ILE 12 HG22 ILE 12 7.040 -9.466 6.619 115 HG23 ILE 12 HG23 ILE 12 5.666 -10.061 5.686 116 HD11 ILE 12 HD11 ILE 12 4.967 -7.519 8.519 117 HD12 ILE 12 HD12 ILE 12 5.999 -6.148 8.927 118 HD13 ILE 12 HD13 ILE 12 6.664 -7.781 8.918 119 H LEU 13 HN LEU 13 3.867 -7.111 3.398 120 HA LEU 13 HA LEU 13 3.272 -9.836 2.556 121 HB2 LEU 13 HB2 LEU 13 1.742 -7.311 2.833 122 HB3 LEU 13 HB1 LEU 13 1.216 -8.414 1.575 123 HG LEU 13 HG LEU 13 1.369 -10.154 3.605 124 HD11 LEU 13 HD11 LEU 13 0.908 -7.462 4.857 125 HD12 LEU 13 HD12 LEU 13 2.071 -8.703 5.321 126 HD13 LEU 13 HD13 LEU 13 0.349 -8.963 5.595 127 HD21 LEU 13 HD21 LEU 13 -0.932 -8.284 3.054 128 HD22 LEU 13 HD22 LEU 13 -1.046 -9.827 3.901 129 HD23 LEU 13 HD23 LEU 13 -0.578 -9.787 2.201 130 H ASP 14 HN ASP 14 4.234 -6.755 1.221 131 HA ASP 14 HA ASP 14 3.720 -7.388 -1.502 132 HB2 ASP 14 HB2 ASP 14 5.245 -5.268 -0.056 133 HB3 ASP 14 HB1 ASP 14 5.565 -5.500 -1.773 134 H ARG 15 HN ARG 15 6.411 -7.919 0.664 135 HA ARG 15 HA ARG 15 8.302 -8.608 -1.355 136 HB2 ARG 15 HB2 ARG 15 9.712 -9.348 0.457 137 HB3 ARG 15 HB1 ARG 15 8.935 -7.841 0.919 138 HG2 ARG 15 HG2 ARG 15 7.230 -9.232 2.147 139 HG3 ARG 15 HG1 ARG 15 8.285 -10.617 1.862 140 HD2 ARG 15 HD2 ARG 15 8.804 -8.159 3.503 141 HD3 ARG 15 HD1 ARG 15 8.875 -9.850 3.996 142 HE ARG 15 HE ARG 15 10.980 -8.317 2.851 143 HH11 ARG 15 HH11 ARG 15 9.646 -11.540 2.990 144 HH12 ARG 15 HH12 ARG 15 11.158 -12.314 2.652 145 HH21 ARG 15 HH21 ARG 15 12.968 -9.335 2.407 146 HH22 ARG 15 HH22 ARG 15 13.044 -11.063 2.322 147 H LYS 16 HN LYS 16 5.749 -10.305 0.236 148 HA LYS 16 HA LYS 16 6.788 -12.907 -0.591 149 HB2 LYS 16 HB2 LYS 16 4.200 -12.350 0.855 150 HB3 LYS 16 HB1 LYS 16 5.062 -13.879 0.744 151 HG2 LYS 16 HG2 LYS 16 6.827 -11.976 1.878 152 HG3 LYS 16 HG1 LYS 16 5.280 -11.849 2.715 153 HD2 LYS 16 HD2 LYS 16 5.353 -14.052 3.450 154 HD3 LYS 16 HD1 LYS 16 6.511 -14.530 2.207 155 HE2 LYS 16 HE2 LYS 16 8.308 -13.633 3.348 156 HE3 LYS 16 HE1 LYS 16 7.300 -12.512 4.261 157 HZ1 LYS 16 HZ1 LYS 16 7.719 -14.033 5.868 158 HZ2 LYS 16 HZ2 LYS 16 7.904 -15.320 4.787 159 HZ3 LYS 16 HZ3 LYS 16 6.356 -14.776 5.196 160 H LYS 17 HN LYS 17 6.043 -11.051 -2.635 161 HA LYS 17 HA LYS 17 3.472 -11.933 -3.646 162 HB2 LYS 17 HB2 LYS 17 3.861 -10.366 -5.464 163 HB3 LYS 17 HB1 LYS 17 4.172 -9.587 -3.919 164 HG2 LYS 17 HG2 LYS 17 6.344 -9.258 -4.374 165 HG3 LYS 17 HG1 LYS 17 6.520 -10.818 -5.178 166 HD2 LYS 17 HD2 LYS 17 6.422 -9.814 -7.159 167 HD3 LYS 17 HD1 LYS 17 4.818 -9.190 -6.772 168 HE2 LYS 17 HE2 LYS 17 5.880 -7.279 -5.621 169 HE3 LYS 17 HE1 LYS 17 7.459 -7.890 -6.114 170 HZ1 LYS 17 HZ1 LYS 17 6.394 -6.092 -7.537 171 HZ2 LYS 17 HZ2 LYS 17 5.348 -7.298 -8.095 172 HZ3 LYS 17 HZ3 LYS 17 7.014 -7.445 -8.343 173 HN1 NH2 18 HN1 NH2 18 4.815 -14.159 -3.443 174 HN2 NH2 18 HN2 NH2 18 5.412 -14.726 -4.961 Start of MODEL 6 1 H1 GLU 1 HN GLU 1 -6.214 3.085 12.111 2 HA GLU 1 HA GLU 1 -4.913 2.107 10.424 3 HB2 GLU 1 HB2 GLU 1 -6.099 4.367 8.933 4 HB3 GLU 1 HB1 GLU 1 -4.500 3.864 8.401 5 HG2 GLU 1 HG2 GLU 1 -6.626 1.814 8.803 6 HG3 GLU 1 HG1 GLU 1 -6.634 2.812 7.349 7 H NLE 2 HN NLE 2 -3.042 2.124 11.510 8 HA NLE 2 HA NLE 2 -1.695 4.527 12.273 9 HB2 NLE 2 HB2 NLE 2 -0.489 1.766 12.225 10 HB3 NLE 2 HB1 NLE 2 -0.058 3.118 13.262 11 HG2 NLE 2 HG2 NLE 2 -2.273 2.939 14.347 12 HG3 NLE 2 HG1 NLE 2 -2.601 1.511 13.364 13 HD2 NLE 2 HD2 NLE 2 -0.375 0.620 14.348 14 HD3 NLE 2 HD1 NLE 2 -0.610 1.870 15.575 15 HE1 NLE 2 HE1 NLE 2 -2.150 -0.614 15.065 16 HE2 NLE 2 HE2 NLE 2 -3.030 0.794 15.660 17 HE3 NLE 2 HE3 NLE 2 -1.684 0.136 16.591 18 H ARG 3 HN ARG 3 -0.277 5.690 11.147 19 HA ARG 3 HA ARG 3 0.292 5.205 8.452 20 HB2 ARG 3 HB2 ARG 3 0.446 7.397 9.832 21 HB3 ARG 3 HB1 ARG 3 2.084 6.872 10.194 22 HG2 ARG 3 HG2 ARG 3 1.752 6.608 7.411 23 HG3 ARG 3 HG1 ARG 3 1.080 8.177 7.862 24 HD2 ARG 3 HD2 ARG 3 3.280 8.393 9.253 25 HD3 ARG 3 HD1 ARG 3 3.871 7.150 8.150 26 HE ARG 3 HE ARG 3 4.090 8.774 6.575 27 HH11 ARG 3 HH11 ARG 3 1.665 9.810 8.860 28 HH12 ARG 3 HH12 ARG 3 1.439 11.354 8.110 29 HH21 ARG 3 HH21 ARG 3 3.794 10.805 5.586 30 HH22 ARG 3 HH22 ARG 3 2.647 11.919 6.251 31 H LEU 4 HN LEU 4 2.010 4.322 11.372 32 HA LEU 4 HA LEU 4 4.195 3.187 9.781 33 HB2 LEU 4 HB2 LEU 4 4.216 3.113 12.756 34 HB3 LEU 4 HB1 LEU 4 5.549 3.311 11.634 35 HG LEU 4 HG LEU 4 4.290 5.637 11.193 36 HD11 LEU 4 HD11 LEU 4 2.732 4.699 13.190 37 HD12 LEU 4 HD12 LEU 4 3.000 6.412 12.863 38 HD13 LEU 4 HD13 LEU 4 3.940 5.594 14.112 39 HD21 LEU 4 HD21 LEU 4 5.795 6.374 13.299 40 HD22 LEU 4 HD22 LEU 4 6.460 5.960 11.719 41 HD23 LEU 4 HD23 LEU 4 6.439 4.758 13.010 42 H LYS 5 HN LYS 5 2.334 1.647 9.138 43 HA LYS 5 HA LYS 5 2.852 -0.865 10.340 44 HB2 LYS 5 HB2 LYS 5 1.332 -0.036 12.059 45 HB3 LYS 5 HB1 LYS 5 0.130 0.348 10.840 46 HG2 LYS 5 HG2 LYS 5 -0.458 -1.694 11.988 47 HG3 LYS 5 HG1 LYS 5 -0.078 -2.031 10.299 48 HD2 LYS 5 HD2 LYS 5 2.324 -2.482 11.248 49 HD3 LYS 5 HD1 LYS 5 1.456 -2.715 12.767 50 HE2 LYS 5 HE2 LYS 5 1.740 -4.837 11.626 51 HE3 LYS 5 HE1 LYS 5 0.034 -4.395 11.679 52 HZ1 LYS 5 HZ1 LYS 5 0.234 -3.747 9.337 53 H LYS 6 HN LYS 6 0.005 0.603 8.838 54 HA LYS 6 HA LYS 6 -0.726 -1.405 7.142 55 HB2 LYS 6 HB2 LYS 6 -1.910 0.791 7.520 56 HB3 LYS 6 HB1 LYS 6 -0.802 1.507 6.357 57 HG2 LYS 6 HG2 LYS 6 -1.851 -0.768 5.107 58 HG3 LYS 6 HG1 LYS 6 -3.213 0.021 5.905 59 HD2 LYS 6 HD2 LYS 6 -3.278 1.294 4.054 60 HD3 LYS 6 HD1 LYS 6 -1.928 2.151 4.801 61 HE2 LYS 6 HE2 LYS 6 -1.247 1.669 2.593 62 HE3 LYS 6 HE1 LYS 6 -0.406 0.511 3.623 63 HZ1 LYS 6 HZ1 LYS 6 -1.704 -0.201 1.442 64 HZ2 LYS 6 HZ2 LYS 6 -2.983 -0.317 2.543 65 HZ3 LYS 6 HZ3 LYS 6 -1.573 -1.218 2.788 66 H PHE 7 HN PHE 7 1.763 1.029 6.577 67 HA PHE 7 HA PHE 7 2.330 0.062 3.921 68 HB2 PHE 7 HB2 PHE 7 3.195 2.301 5.615 69 HB3 PHE 7 HB1 PHE 7 4.470 1.640 4.596 70 HD1 PHE 7 HD2 PHE 7 3.800 1.265 2.087 71 HD2 PHE 7 HD1 PHE 7 1.814 3.922 4.752 72 HE1 PHE 7 HE2 PHE 7 2.925 2.530 0.167 73 HE2 PHE 7 HE1 PHE 7 0.935 5.192 2.837 74 HZ PHE 7 HZ PHE 7 1.491 4.497 0.541 75 H PHE 8 HN PHE 8 3.540 -0.445 7.148 76 HA PHE 8 HA PHE 8 5.985 -1.695 6.361 77 HB2 PHE 8 HB2 PHE 8 5.991 -0.756 8.528 78 HB3 PHE 8 HB1 PHE 8 4.463 -1.517 8.954 79 HD1 PHE 8 HD2 PHE 8 7.664 -2.856 7.576 80 HD2 PHE 8 HD1 PHE 8 4.783 -2.958 10.706 81 HE1 PHE 8 HE2 PHE 8 8.886 -4.711 8.634 82 HE2 PHE 8 HE1 PHE 8 6.000 -4.813 11.771 83 HZ PHE 8 HZ PHE 8 8.053 -5.692 10.734 84 H ASP 9 HN ASP 9 2.795 -2.852 7.333 85 HA ASP 9 HA ASP 9 3.520 -5.616 7.171 86 HB2 ASP 9 HB2 ASP 9 0.844 -4.223 7.341 87 HB3 ASP 9 HB1 ASP 9 1.021 -5.975 7.312 88 H LYS 10 HN LYS 10 2.138 -3.259 4.983 89 HA LYS 10 HA LYS 10 1.404 -5.202 2.997 90 HB2 LYS 10 HB2 LYS 10 0.425 -2.826 3.368 91 HB3 LYS 10 HB1 LYS 10 1.808 -2.280 2.429 92 HG2 LYS 10 HG2 LYS 10 0.534 -4.464 1.086 93 HG3 LYS 10 HG1 LYS 10 -0.660 -3.229 1.487 94 HD2 LYS 10 HD2 LYS 10 0.170 -1.782 -0.013 95 HD3 LYS 10 HD1 LYS 10 1.839 -2.141 0.432 96 HE2 LYS 10 HE2 LYS 10 0.270 -4.150 -1.120 97 HE3 LYS 10 HE1 LYS 10 0.935 -2.744 -1.951 98 HZ1 LYS 10 HZ1 LYS 10 3.143 -3.484 -1.117 99 H PHE 11 HN PHE 11 4.241 -3.395 3.825 100 HA PHE 11 HA PHE 11 5.531 -3.660 1.281 101 HB2 PHE 11 HB2 PHE 11 6.128 -1.850 2.828 102 HB3 PHE 11 HB1 PHE 11 6.689 -3.032 4.006 103 HD1 PHE 11 HD1 PHE 11 8.726 -4.341 3.569 104 HD2 PHE 11 HD2 PHE 11 7.467 -1.218 0.968 105 HE1 PHE 11 HE1 PHE 11 10.970 -4.280 2.564 106 HE2 PHE 11 HE2 PHE 11 9.709 -1.151 -0.044 107 HZ PHE 11 HZ PHE 11 11.464 -2.684 0.754 108 H ILE 12 HN ILE 12 5.681 -5.376 4.381 109 HA ILE 12 HA ILE 12 7.707 -7.202 3.514 110 HB ILE 12 HB ILE 12 7.171 -8.465 5.562 111 HG12 ILE 12 HG12 ILE 12 5.487 -6.898 7.038 112 HG13 ILE 12 HG11 ILE 12 4.760 -6.776 5.440 113 HG21 ILE 12 HG21 ILE 12 7.819 -5.591 5.526 114 HG22 ILE 12 HG22 ILE 12 8.731 -6.955 6.172 115 HG23 ILE 12 HG23 ILE 12 7.397 -6.268 7.099 116 HD11 ILE 12 HD11 ILE 12 3.951 -8.624 7.005 117 HD12 ILE 12 HD12 ILE 12 5.471 -9.431 6.620 118 HD13 ILE 12 HD13 ILE 12 4.321 -9.056 5.336 119 H LEU 13 HN LEU 13 4.235 -7.100 3.363 120 HA LEU 13 HA LEU 13 3.970 -9.909 2.726 121 HB2 LEU 13 HB2 LEU 13 2.272 -8.308 3.925 122 HB3 LEU 13 HB1 LEU 13 1.801 -7.899 2.286 123 HG LEU 13 HG LEU 13 0.315 -9.590 3.135 124 HD11 LEU 13 HD11 LEU 13 2.142 -11.080 1.289 125 HD12 LEU 13 HD12 LEU 13 1.242 -9.667 0.738 126 HD13 LEU 13 HD13 LEU 13 0.380 -11.078 1.351 127 HD21 LEU 13 HD21 LEU 13 2.822 -10.779 4.098 128 HD22 LEU 13 HD22 LEU 13 1.656 -11.925 3.436 129 HD23 LEU 13 HD23 LEU 13 1.192 -10.863 4.765 130 H ASP 14 HN ASP 14 4.038 -6.836 1.034 131 HA ASP 14 HA ASP 14 3.213 -7.877 -1.489 132 HB2 ASP 14 HB2 ASP 14 4.512 -5.315 -0.601 133 HB3 ASP 14 HB1 ASP 14 4.324 -5.681 -2.313 134 H ARG 15 HN ARG 15 6.263 -7.573 0.172 135 HA ARG 15 HA ARG 15 7.824 -8.170 -2.189 136 HB2 ARG 15 HB2 ARG 15 8.426 -6.785 0.021 137 HB3 ARG 15 HB1 ARG 15 9.028 -8.360 0.518 138 HG2 ARG 15 HG2 ARG 15 10.869 -7.284 -0.427 139 HG3 ARG 15 HG1 ARG 15 10.305 -8.389 -1.682 140 HD2 ARG 15 HD2 ARG 15 9.325 -5.564 -1.604 141 HD3 ARG 15 HD1 ARG 15 10.901 -5.936 -2.299 142 HE ARG 15 HE ARG 15 8.378 -6.372 -3.506 143 HH11 ARG 15 HH11 ARG 15 11.548 -7.797 -3.187 144 HH12 ARG 15 HH12 ARG 15 11.462 -8.632 -4.702 145 HH21 ARG 15 HH21 ARG 15 8.266 -7.465 -5.501 146 HH22 ARG 15 HH22 ARG 15 9.599 -8.443 -6.016 147 H LYS 16 HN LYS 16 5.955 -10.029 -0.173 148 HA LYS 16 HA LYS 16 7.751 -12.314 -0.105 149 HB2 LYS 16 HB2 LYS 16 6.231 -13.339 1.342 150 HB3 LYS 16 HB1 LYS 16 6.131 -11.638 1.772 151 HG2 LYS 16 HG2 LYS 16 3.929 -11.873 1.588 152 HG3 LYS 16 HG1 LYS 16 4.188 -11.902 -0.157 153 HD2 LYS 16 HD2 LYS 16 3.950 -14.178 -0.293 154 HD3 LYS 16 HD1 LYS 16 4.498 -14.442 1.363 155 HE2 LYS 16 HE2 LYS 16 1.930 -13.001 0.886 156 HE3 LYS 16 HE1 LYS 16 1.976 -14.755 0.718 157 HZ1 LYS 16 HZ1 LYS 16 2.587 -15.016 2.948 158 HZ2 LYS 16 HZ2 LYS 16 1.370 -13.842 2.979 159 HZ3 LYS 16 HZ3 LYS 16 2.990 -13.383 3.135 160 H LYS 17 HN LYS 17 6.259 -11.058 -2.578 161 HA LYS 17 HA LYS 17 4.541 -13.059 -3.573 162 HB2 LYS 17 HB2 LYS 17 5.021 -11.992 -5.806 163 HB3 LYS 17 HB1 LYS 17 4.430 -10.897 -4.564 164 HG2 LYS 17 HG2 LYS 17 6.316 -9.689 -4.552 165 HG3 LYS 17 HG1 LYS 17 7.349 -11.112 -4.707 166 HD2 LYS 17 HD2 LYS 17 5.729 -10.406 -7.075 167 HD3 LYS 17 HD1 LYS 17 7.029 -9.288 -6.658 168 HE2 LYS 17 HE2 LYS 17 8.470 -11.441 -6.481 169 HE3 LYS 17 HE1 LYS 17 7.187 -12.170 -7.446 170 HZ1 LYS 17 HZ1 LYS 17 9.257 -11.017 -8.551 171 HZ2 LYS 17 HZ2 LYS 17 8.308 -9.629 -8.363 172 HZ3 LYS 17 HZ3 LYS 17 7.723 -10.937 -9.261 173 HN1 NH2 18 HN1 NH2 18 8.002 -12.665 -3.636 174 HN2 NH2 18 HN2 NH2 18 8.362 -14.141 -4.460 Start of MODEL 7 1 H1 GLU 1 HN GLU 1 -7.040 4.338 8.982 2 HA GLU 1 HA GLU 1 -4.872 3.263 7.596 3 HB2 GLU 1 HB2 GLU 1 -5.389 6.097 8.504 4 HB3 GLU 1 HB1 GLU 1 -4.103 5.644 7.394 5 HG2 GLU 1 HG2 GLU 1 -5.524 5.294 5.666 6 HG3 GLU 1 HG1 GLU 1 -6.840 4.760 6.710 7 H NLE 2 HN NLE 2 -3.556 2.005 8.883 8 HA NLE 2 HA NLE 2 -2.523 2.696 11.382 9 HB2 NLE 2 HB2 NLE 2 -1.201 0.961 9.292 10 HB3 NLE 2 HB1 NLE 2 -0.881 0.941 11.020 11 HG2 NLE 2 HG2 NLE 2 -3.429 0.124 9.642 12 HG3 NLE 2 HG1 NLE 2 -2.264 -0.931 10.445 13 HD2 NLE 2 HD2 NLE 2 -2.768 0.106 12.588 14 HD3 NLE 2 HD1 NLE 2 -3.883 1.228 11.800 15 HE1 NLE 2 HE1 NLE 2 -4.340 -1.668 11.378 16 HE2 NLE 2 HE2 NLE 2 -5.499 -0.351 11.549 17 HE3 NLE 2 HE3 NLE 2 -4.700 -1.013 12.975 18 H ARG 3 HN ARG 3 -0.402 3.376 12.003 19 HA ARG 3 HA ARG 3 0.678 5.384 10.181 20 HB2 ARG 3 HB2 ARG 3 1.780 5.108 12.918 21 HB3 ARG 3 HB1 ARG 3 1.391 6.557 12.004 22 HG2 ARG 3 HG2 ARG 3 -0.561 4.760 13.428 23 HG3 ARG 3 HG1 ARG 3 -0.050 6.374 13.927 24 HD2 ARG 3 HD2 ARG 3 -0.993 7.260 11.802 25 HD3 ARG 3 HD1 ARG 3 -1.617 5.647 11.456 26 HE ARG 3 HE ARG 3 -2.742 7.571 13.227 27 HH11 ARG 3 HH11 ARG 3 -2.332 4.141 12.729 28 HH12 ARG 3 HH12 ARG 3 -3.740 3.714 13.641 29 HH21 ARG 3 HH21 ARG 3 -4.593 7.010 14.430 30 HH22 ARG 3 HH22 ARG 3 -5.024 5.342 14.607 31 H LEU 4 HN LEU 4 2.182 3.227 12.563 32 HA LEU 4 HA LEU 4 4.409 2.849 10.691 33 HB2 LEU 4 HB2 LEU 4 5.840 2.506 12.491 34 HB3 LEU 4 HB1 LEU 4 4.775 3.778 13.049 35 HG LEU 4 HG LEU 4 4.806 0.887 13.893 36 HD11 LEU 4 HD11 LEU 4 4.849 3.346 15.606 37 HD12 LEU 4 HD12 LEU 4 6.322 2.656 14.923 38 HD13 LEU 4 HD13 LEU 4 5.326 1.699 16.020 39 HD21 LEU 4 HD21 LEU 4 2.697 2.962 14.469 40 HD22 LEU 4 HD22 LEU 4 2.840 1.406 15.285 41 HD23 LEU 4 HD23 LEU 4 2.481 1.467 13.560 42 H LYS 5 HN LYS 5 2.165 1.425 10.103 43 HA LYS 5 HA LYS 5 3.155 -1.286 10.377 44 HB2 LYS 5 HB2 LYS 5 0.987 -0.330 11.972 45 HB3 LYS 5 HB1 LYS 5 0.357 -1.499 10.820 46 HG2 LYS 5 HG2 LYS 5 2.834 -2.281 12.207 47 HG3 LYS 5 HG1 LYS 5 1.389 -2.153 13.212 48 HD2 LYS 5 HD2 LYS 5 1.035 -4.274 12.539 49 HD3 LYS 5 HD1 LYS 5 0.402 -3.502 11.084 50 HE2 LYS 5 HE2 LYS 5 3.317 -3.948 11.154 51 HE3 LYS 5 HE1 LYS 5 2.316 -5.396 11.063 52 HZ1 LYS 5 HZ1 LYS 5 2.586 -3.324 9.037 53 H LYS 6 HN LYS 6 0.743 0.902 9.031 54 HA LYS 6 HA LYS 6 -0.369 -0.736 7.095 55 HB2 LYS 6 HB2 LYS 6 -0.494 1.974 7.767 56 HB3 LYS 6 HB1 LYS 6 0.018 1.950 6.086 57 HG2 LYS 6 HG2 LYS 6 -2.207 0.147 6.731 58 HG3 LYS 6 HG1 LYS 6 -2.554 1.869 6.906 59 HD2 LYS 6 HD2 LYS 6 -2.730 2.091 4.700 60 HD3 LYS 6 HD1 LYS 6 -1.102 1.446 4.477 61 HE2 LYS 6 HE2 LYS 6 -2.145 -0.216 3.388 62 HE3 LYS 6 HE1 LYS 6 -2.508 -0.820 5.004 63 HZ1 LYS 6 HZ1 LYS 6 -4.262 0.690 3.168 64 HZ2 LYS 6 HZ2 LYS 6 -4.584 0.623 4.827 65 HZ3 LYS 6 HZ3 LYS 6 -4.547 -0.801 3.916 66 H PHE 7 HN PHE 7 2.376 1.479 6.713 67 HA PHE 7 HA PHE 7 2.979 0.626 4.072 68 HB2 PHE 7 HB2 PHE 7 3.698 2.768 5.591 69 HB3 PHE 7 HB1 PHE 7 5.174 1.810 5.645 70 HD1 PHE 7 HD1 PHE 7 5.185 0.598 2.966 71 HD2 PHE 7 HD2 PHE 7 4.197 4.548 4.201 72 HE1 PHE 7 HE1 PHE 7 5.818 1.446 0.745 73 HE2 PHE 7 HE2 PHE 7 4.827 5.404 1.982 74 HZ PHE 7 HZ PHE 7 5.639 3.852 0.250 75 H PHE 8 HN PHE 8 4.203 -0.255 7.254 76 HA PHE 8 HA PHE 8 6.357 -1.844 6.329 77 HB2 PHE 8 HB2 PHE 8 5.382 -0.993 8.818 78 HB3 PHE 8 HB1 PHE 8 5.324 -2.751 8.873 79 HD1 PHE 8 HD1 PHE 8 7.741 -0.456 7.217 80 HD2 PHE 8 HD2 PHE 8 7.091 -3.427 10.193 81 HE1 PHE 8 HE1 PHE 8 10.157 -0.515 7.679 82 HE2 PHE 8 HE2 PHE 8 9.506 -3.491 10.662 83 HZ PHE 8 HZ PHE 8 11.042 -2.034 9.405 84 H ASP 9 HN ASP 9 3.017 -2.583 7.181 85 HA ASP 9 HA ASP 9 3.295 -5.402 6.878 86 HB2 ASP 9 HB2 ASP 9 0.966 -3.527 7.127 87 HB3 ASP 9 HB1 ASP 9 0.697 -5.211 6.690 88 H LYS 10 HN LYS 10 2.632 -2.771 4.700 89 HA LYS 10 HA LYS 10 1.610 -4.434 2.593 90 HB2 LYS 10 HB2 LYS 10 1.567 -1.726 3.122 91 HB3 LYS 10 HB1 LYS 10 2.699 -1.843 1.782 92 HG2 LYS 10 HG2 LYS 10 0.275 -3.419 1.394 93 HG3 LYS 10 HG1 LYS 10 -0.023 -1.689 1.570 94 HD2 LYS 10 HD2 LYS 10 0.522 -1.469 -0.579 95 HD3 LYS 10 HD1 LYS 10 2.181 -1.860 -0.126 96 HE2 LYS 10 HE2 LYS 10 0.357 -4.152 -0.483 97 HE3 LYS 10 HE1 LYS 10 0.754 -3.247 -1.942 98 HZ1 LYS 10 HZ1 LYS 10 3.148 -3.714 -0.651 99 H PHE 11 HN PHE 11 4.717 -3.045 3.466 100 HA PHE 11 HA PHE 11 6.021 -3.810 1.036 101 HB2 PHE 11 HB2 PHE 11 6.636 -2.162 3.205 102 HB3 PHE 11 HB1 PHE 11 7.815 -3.465 3.294 103 HD1 PHE 11 HD2 PHE 11 8.244 -4.074 0.455 104 HD2 PHE 11 HD1 PHE 11 7.825 -0.330 2.435 105 HE1 PHE 11 HE2 PHE 11 9.573 -2.995 -1.312 106 HE2 PHE 11 HE1 PHE 11 9.152 0.756 0.671 107 HZ PHE 11 HZ PHE 11 10.028 -0.577 -1.206 108 H ILE 12 HN ILE 12 5.560 -5.261 4.195 109 HA ILE 12 HA ILE 12 7.451 -7.379 3.735 110 HB ILE 12 HB ILE 12 6.940 -6.549 6.009 111 HG12 ILE 12 HG12 ILE 12 6.403 -8.969 6.937 112 HG13 ILE 12 HG11 ILE 12 6.640 -9.425 5.253 113 HG21 ILE 12 HG21 ILE 12 4.901 -6.601 6.973 114 HG22 ILE 12 HG22 ILE 12 4.437 -8.100 6.168 115 HG23 ILE 12 HG23 ILE 12 4.355 -6.570 5.297 116 HD11 ILE 12 HD11 ILE 12 8.827 -9.408 5.544 117 HD12 ILE 12 HD12 ILE 12 8.585 -8.999 7.242 118 HD13 ILE 12 HD13 ILE 12 8.773 -7.718 6.044 119 H LEU 13 HN LEU 13 4.041 -6.881 3.212 120 HA LEU 13 HA LEU 13 3.536 -9.703 2.760 121 HB2 LEU 13 HB2 LEU 13 1.877 -7.234 2.855 122 HB3 LEU 13 HB1 LEU 13 1.264 -8.601 1.945 123 HG LEU 13 HG LEU 13 2.198 -9.094 4.729 124 HD11 LEU 13 HD11 LEU 13 -0.313 -8.568 5.307 125 HD12 LEU 13 HD12 LEU 13 -0.151 -7.435 3.966 126 HD13 LEU 13 HD13 LEU 13 0.919 -7.307 5.362 127 HD21 LEU 13 HD21 LEU 13 0.118 -10.197 2.869 128 HD22 LEU 13 HD22 LEU 13 0.108 -10.563 4.594 129 HD23 LEU 13 HD23 LEU 13 1.494 -11.019 3.603 130 H ASP 14 HN ASP 14 3.898 -6.748 0.885 131 HA ASP 14 HA ASP 14 3.172 -7.931 -1.608 132 HB2 ASP 14 HB2 ASP 14 4.528 -5.356 -0.842 133 HB3 ASP 14 HB1 ASP 14 4.356 -5.834 -2.529 134 H ARG 15 HN ARG 15 6.198 -7.437 0.114 135 HA ARG 15 HA ARG 15 7.869 -8.209 -2.071 136 HB2 ARG 15 HB2 ARG 15 8.303 -7.799 0.870 137 HB3 ARG 15 HB1 ARG 15 9.562 -8.526 -0.119 138 HG2 ARG 15 HG2 ARG 15 9.555 -6.544 -1.564 139 HG3 ARG 15 HG1 ARG 15 8.324 -5.812 -0.534 140 HD2 ARG 15 HD2 ARG 15 9.809 -5.265 1.062 141 HD3 ARG 15 HD1 ARG 15 10.694 -6.781 0.896 142 HE ARG 15 HE ARG 15 11.284 -4.278 -0.384 143 HH11 ARG 15 HH11 ARG 15 11.651 -7.744 -0.580 144 HH12 ARG 15 HH12 ARG 15 13.068 -7.663 -1.572 145 HH21 ARG 15 HH21 ARG 15 13.147 -4.171 -1.690 146 HH22 ARG 15 HH22 ARG 15 13.918 -5.635 -2.202 147 H LYS 16 HN LYS 16 6.161 -9.904 0.441 148 HA LYS 16 HA LYS 16 7.593 -12.387 -0.126 149 HB2 LYS 16 HB2 LYS 16 6.378 -11.314 2.177 150 HB3 LYS 16 HB1 LYS 16 5.402 -12.703 1.719 151 HG2 LYS 16 HG2 LYS 16 8.121 -13.462 1.506 152 HG3 LYS 16 HG1 LYS 16 7.908 -12.645 3.055 153 HD2 LYS 16 HD2 LYS 16 6.522 -14.256 3.869 154 HD3 LYS 16 HD1 LYS 16 5.844 -14.625 2.282 155 HE2 LYS 16 HE2 LYS 16 8.504 -15.495 3.394 156 HE3 LYS 16 HE1 LYS 16 7.122 -16.514 2.994 157 HZ1 LYS 16 HZ1 LYS 16 7.533 -15.400 0.645 158 HZ2 LYS 16 HZ2 LYS 16 8.336 -16.809 1.125 159 HZ3 LYS 16 HZ3 LYS 16 9.115 -15.312 1.237 160 H LYS 17 HN LYS 17 5.796 -11.126 -2.099 161 HA LYS 17 HA LYS 17 3.555 -12.996 -2.205 162 HB2 LYS 17 HB2 LYS 17 4.129 -10.348 -3.318 163 HB3 LYS 17 HB1 LYS 17 3.386 -11.444 -4.475 164 HG2 LYS 17 HG2 LYS 17 2.283 -10.795 -1.749 165 HG3 LYS 17 HG1 LYS 17 1.742 -10.080 -3.269 166 HD2 LYS 17 HD2 LYS 17 0.622 -11.947 -3.904 167 HD3 LYS 17 HD1 LYS 17 1.790 -13.033 -3.148 168 HE2 LYS 17 HE2 LYS 17 -0.159 -11.350 -1.588 169 HE3 LYS 17 HE1 LYS 17 -0.505 -12.999 -2.108 170 HZ1 LYS 17 HZ1 LYS 17 0.590 -12.419 0.230 171 HZ2 LYS 17 HZ2 LYS 17 2.001 -12.592 -0.687 172 HZ3 LYS 17 HZ3 LYS 17 0.895 -13.868 -0.589 173 HN1 NH2 18 HN1 NH2 18 5.715 -11.724 -4.721 174 HN2 NH2 18 HN2 NH2 18 6.009 -13.245 -5.486 Start of MODEL 8 1 H1 GLU 1 HN GLU 1 -3.589 3.392 14.785 2 HA GLU 1 HA GLU 1 -1.517 4.003 14.049 3 HB2 GLU 1 HB2 GLU 1 0.174 2.120 13.636 4 HB3 GLU 1 HB1 GLU 1 -0.405 2.345 15.281 5 HG2 GLU 1 HG2 GLU 1 -1.478 0.363 15.324 6 HG3 GLU 1 HG1 GLU 1 -1.923 0.442 13.620 7 H NLE 2 HN NLE 2 -3.487 4.081 12.254 8 HA NLE 2 HA NLE 2 -3.186 2.557 9.920 9 HB2 NLE 2 HB2 NLE 2 -4.126 5.422 9.999 10 HB3 NLE 2 HB1 NLE 2 -4.572 4.175 8.843 11 HG2 NLE 2 HG2 NLE 2 -5.649 2.938 10.744 12 HG3 NLE 2 HG1 NLE 2 -5.377 4.375 11.732 13 HD2 NLE 2 HD2 NLE 2 -6.548 5.466 9.538 14 HD3 NLE 2 HD1 NLE 2 -7.342 3.889 9.597 15 HE1 NLE 2 HE1 NLE 2 -7.172 5.831 11.897 16 HE2 NLE 2 HE2 NLE 2 -8.047 4.300 11.875 17 HE3 NLE 2 HE3 NLE 2 -8.569 5.630 10.840 18 H ARG 3 HN ARG 3 -1.504 5.384 11.085 19 HA ARG 3 HA ARG 3 -0.274 6.097 8.630 20 HB2 ARG 3 HB2 ARG 3 -0.134 7.878 10.037 21 HB3 ARG 3 HB1 ARG 3 -0.040 6.870 11.471 22 HG2 ARG 3 HG2 ARG 3 1.988 8.114 11.266 23 HG3 ARG 3 HG1 ARG 3 2.342 6.419 10.936 24 HD2 ARG 3 HD2 ARG 3 2.202 6.916 8.509 25 HD3 ARG 3 HD1 ARG 3 1.978 8.619 8.906 26 HE ARG 3 HE ARG 3 4.318 7.643 10.144 27 HH11 ARG 3 HH11 ARG 3 3.074 8.519 7.002 28 HH12 ARG 3 HH12 ARG 3 4.629 8.944 6.368 29 HH21 ARG 3 HH21 ARG 3 6.361 8.203 9.310 30 HH22 ARG 3 HH22 ARG 3 6.494 8.765 7.677 31 H LEU 4 HN LEU 4 0.800 4.186 11.406 32 HA LEU 4 HA LEU 4 3.116 3.288 9.835 33 HB2 LEU 4 HB2 LEU 4 2.565 3.448 12.776 34 HB3 LEU 4 HB1 LEU 4 3.782 2.340 12.169 35 HG LEU 4 HG LEU 4 3.779 5.336 11.792 36 HD11 LEU 4 HD11 LEU 4 4.511 5.203 13.925 37 HD12 LEU 4 HD12 LEU 4 6.032 4.794 13.132 38 HD13 LEU 4 HD13 LEU 4 4.999 3.515 13.771 39 HD21 LEU 4 HD21 LEU 4 5.403 3.142 10.630 40 HD22 LEU 4 HD22 LEU 4 6.238 4.622 11.102 41 HD23 LEU 4 HD23 LEU 4 4.919 4.688 9.933 42 H LYS 5 HN LYS 5 1.304 2.025 8.699 43 HA LYS 5 HA LYS 5 1.440 -0.695 9.639 44 HB2 LYS 5 HB2 LYS 5 -0.527 0.167 10.854 45 HB3 LYS 5 HB1 LYS 5 -1.253 0.635 9.327 46 HG2 LYS 5 HG2 LYS 5 -2.235 -1.421 10.049 47 HG3 LYS 5 HG1 LYS 5 -1.231 -1.741 8.635 48 HD2 LYS 5 HD2 LYS 5 0.564 -2.148 10.613 49 HD3 LYS 5 HD1 LYS 5 -0.922 -2.638 11.426 50 HE2 LYS 5 HE2 LYS 5 0.296 -4.483 10.248 51 HE3 LYS 5 HE1 LYS 5 -1.387 -4.277 9.766 52 HZ1 LYS 5 HZ1 LYS 5 0.530 -2.891 8.107 53 H LYS 6 HN LYS 6 -0.600 1.226 7.474 54 HA LYS 6 HA LYS 6 -0.990 -0.488 5.420 55 HB2 LYS 6 HB2 LYS 6 -1.843 1.859 5.580 56 HB3 LYS 6 HB1 LYS 6 -0.278 2.416 5.007 57 HG2 LYS 6 HG2 LYS 6 -1.698 0.392 3.371 58 HG3 LYS 6 HG1 LYS 6 -2.331 2.040 3.381 59 HD2 LYS 6 HD2 LYS 6 -0.600 2.842 2.188 60 HD3 LYS 6 HD1 LYS 6 0.579 1.855 3.055 61 HE2 LYS 6 HE2 LYS 6 0.620 1.070 0.838 62 HE3 LYS 6 HE1 LYS 6 -0.324 -0.117 1.736 63 HZ1 LYS 6 HZ1 LYS 6 -1.645 0.209 -0.080 64 HZ2 LYS 6 HZ2 LYS 6 -1.212 1.833 -0.266 65 HZ3 LYS 6 HZ3 LYS 6 -2.294 1.382 0.952 66 H PHE 7 HN PHE 7 1.911 1.479 5.883 67 HA PHE 7 HA PHE 7 3.183 0.507 3.506 68 HB2 PHE 7 HB2 PHE 7 3.631 2.742 4.641 69 HB3 PHE 7 HB1 PHE 7 4.549 1.840 5.842 70 HD1 PHE 7 HD2 PHE 7 4.347 2.592 2.220 71 HD2 PHE 7 HD1 PHE 7 6.770 1.236 5.445 72 HE1 PHE 7 HE2 PHE 7 6.329 2.688 0.765 73 HE2 PHE 7 HE1 PHE 7 8.757 1.331 3.997 74 HZ PHE 7 HZ PHE 7 8.538 2.057 1.653 75 H PHE 8 HN PHE 8 3.287 -0.287 6.928 76 HA PHE 8 HA PHE 8 5.492 -2.062 6.781 77 HB2 PHE 8 HB2 PHE 8 4.252 -0.939 8.842 78 HB3 PHE 8 HB1 PHE 8 3.360 -2.457 8.830 79 HD1 PHE 8 HD2 PHE 8 5.104 -4.549 8.397 80 HD2 PHE 8 HD1 PHE 8 5.947 -0.873 10.368 81 HE1 PHE 8 HE2 PHE 8 6.936 -5.635 9.630 82 HE2 PHE 8 HE1 PHE 8 7.781 -1.951 11.604 83 HZ PHE 8 HZ PHE 8 8.277 -4.336 11.236 84 H ASP 9 HN ASP 9 1.998 -2.517 6.608 85 HA ASP 9 HA ASP 9 2.042 -5.338 6.481 86 HB2 ASP 9 HB2 ASP 9 0.030 -3.229 5.791 87 HB3 ASP 9 HB1 ASP 9 -0.263 -4.895 5.300 88 H LYS 10 HN LYS 10 2.196 -2.817 4.031 89 HA LYS 10 HA LYS 10 1.976 -4.559 1.796 90 HB2 LYS 10 HB2 LYS 10 2.210 -1.763 2.236 91 HB3 LYS 10 HB1 LYS 10 3.503 -2.226 1.139 92 HG2 LYS 10 HG2 LYS 10 0.567 -2.768 0.751 93 HG3 LYS 10 HG1 LYS 10 1.528 -1.548 -0.089 94 HD2 LYS 10 HD2 LYS 10 2.116 -4.503 -0.191 95 HD3 LYS 10 HD1 LYS 10 1.122 -3.662 -1.383 96 HE2 LYS 10 HE2 LYS 10 2.985 -3.172 -2.492 97 HE3 LYS 10 HE1 LYS 10 3.457 -2.139 -1.144 98 HZ1 LYS 10 HZ1 LYS 10 4.842 -3.854 -0.341 99 H PHE 11 HN PHE 11 4.629 -3.431 3.773 100 HA PHE 11 HA PHE 11 6.751 -4.210 2.086 101 HB2 PHE 11 HB2 PHE 11 6.585 -2.854 4.436 102 HB3 PHE 11 HB1 PHE 11 7.208 -4.402 4.998 103 HD1 PHE 11 HD1 PHE 11 8.925 -5.188 2.740 104 HD2 PHE 11 HD2 PHE 11 8.382 -1.403 4.607 105 HE1 PHE 11 HE1 PHE 11 11.191 -4.526 2.047 106 HE2 PHE 11 HE2 PHE 11 10.647 -0.733 3.917 107 HZ PHE 11 HZ PHE 11 12.054 -2.296 2.635 108 H ILE 12 HN ILE 12 4.965 -5.910 4.620 109 HA ILE 12 HA ILE 12 6.593 -8.265 4.485 110 HB ILE 12 HB ILE 12 4.855 -9.305 5.890 111 HG12 ILE 12 HG12 ILE 12 3.438 -6.643 5.849 112 HG13 ILE 12 HG11 ILE 12 2.978 -7.966 4.781 113 HG21 ILE 12 HG21 ILE 12 6.696 -7.616 6.676 114 HG22 ILE 12 HG22 ILE 12 5.471 -8.197 7.804 115 HG23 ILE 12 HG23 ILE 12 5.305 -6.604 7.066 116 HD11 ILE 12 HD11 ILE 12 2.991 -8.061 7.788 117 HD12 ILE 12 HD12 ILE 12 2.505 -9.369 6.709 118 HD13 ILE 12 HD13 ILE 12 1.569 -7.875 6.761 119 H LEU 13 HN LEU 13 3.779 -7.097 2.820 120 HA LEU 13 HA LEU 13 3.046 -9.690 1.779 121 HB2 LEU 13 HB2 LEU 13 1.846 -7.095 1.951 122 HB3 LEU 13 HB1 LEU 13 1.813 -7.629 0.282 123 HG LEU 13 HG LEU 13 0.637 -9.074 2.655 124 HD11 LEU 13 HD11 LEU 13 -1.440 -8.454 1.883 125 HD12 LEU 13 HD12 LEU 13 -0.863 -8.168 0.241 126 HD13 LEU 13 HD13 LEU 13 -0.488 -7.014 1.520 127 HD21 LEU 13 HD21 LEU 13 1.162 -10.892 1.412 128 HD22 LEU 13 HD22 LEU 13 1.289 -9.969 -0.085 129 HD23 LEU 13 HD23 LEU 13 -0.297 -10.421 0.540 130 H ASP 14 HN ASP 14 4.643 -6.774 0.606 131 HA ASP 14 HA ASP 14 4.910 -7.696 -2.079 132 HB2 ASP 14 HB2 ASP 14 6.210 -5.459 -0.530 133 HB3 ASP 14 HB1 ASP 14 6.621 -5.802 -2.208 134 H ARG 15 HN ARG 15 6.800 -8.024 0.829 135 HA ARG 15 HA ARG 15 9.190 -8.901 -0.496 136 HB2 ARG 15 HB2 ARG 15 8.994 -7.844 1.837 137 HB3 ARG 15 HB1 ARG 15 8.490 -9.437 2.383 138 HG2 ARG 15 HG2 ARG 15 10.576 -10.206 2.391 139 HG3 ARG 15 HG1 ARG 15 10.918 -9.534 0.796 140 HD2 ARG 15 HD2 ARG 15 12.367 -8.290 2.040 141 HD3 ARG 15 HD1 ARG 15 10.936 -7.266 2.159 142 HE ARG 15 HE ARG 15 10.701 -8.895 4.301 143 HH11 ARG 15 HH11 ARG 15 13.295 -6.885 3.117 144 HH12 ARG 15 HH12 ARG 15 13.941 -6.573 4.693 145 HH21 ARG 15 HH21 ARG 15 11.548 -8.484 6.376 146 HH22 ARG 15 HH22 ARG 15 12.950 -7.481 6.543 147 H LYS 16 HN LYS 16 6.293 -10.397 0.711 148 HA LYS 16 HA LYS 16 7.126 -13.030 1.022 149 HB2 LYS 16 HB2 LYS 16 4.915 -12.249 1.704 150 HB3 LYS 16 HB1 LYS 16 4.469 -11.998 0.022 151 HG2 LYS 16 HG2 LYS 16 3.497 -14.045 0.885 152 HG3 LYS 16 HG1 LYS 16 4.660 -14.394 -0.394 153 HD2 LYS 16 HD2 LYS 16 5.745 -15.755 0.988 154 HD3 LYS 16 HD1 LYS 16 6.082 -14.388 2.052 155 HE2 LYS 16 HE2 LYS 16 4.974 -16.184 3.268 156 HE3 LYS 16 HE1 LYS 16 3.952 -14.749 3.193 157 HZ1 LYS 16 HZ1 LYS 16 3.125 -16.056 1.032 158 HZ2 LYS 16 HZ2 LYS 16 2.419 -16.247 2.557 159 HZ3 LYS 16 HZ3 LYS 16 3.558 -17.369 2.007 160 H LYS 17 HN LYS 17 5.606 -11.594 -1.849 161 HA LYS 17 HA LYS 17 6.570 -13.829 -3.464 162 HB2 LYS 17 HB2 LYS 17 4.201 -12.415 -3.482 163 HB3 LYS 17 HB1 LYS 17 5.069 -11.732 -4.850 164 HG2 LYS 17 HG2 LYS 17 3.950 -13.455 -5.853 165 HG3 LYS 17 HG1 LYS 17 5.481 -14.239 -5.462 166 HD2 LYS 17 HD2 LYS 17 4.076 -14.686 -3.186 167 HD3 LYS 17 HD1 LYS 17 2.783 -14.706 -4.387 168 HE2 LYS 17 HE2 LYS 17 4.459 -16.257 -5.687 169 HE3 LYS 17 HE1 LYS 17 5.124 -16.526 -4.077 170 HZ1 LYS 17 HZ1 LYS 17 2.622 -16.934 -3.504 171 HZ2 LYS 17 HZ2 LYS 17 3.562 -18.167 -4.180 172 HZ3 LYS 17 HZ3 LYS 17 2.504 -17.280 -5.156 173 HN1 NH2 18 HN1 NH2 18 7.058 -12.937 -5.859 174 HN2 NH2 18 HN2 NH2 18 8.324 -11.763 -5.900 Start of MODEL 9 1 H1 GLU 1 HN GLU 1 -5.812 5.845 12.045 2 HA GLU 1 HA GLU 1 -5.621 3.374 13.579 3 HB2 GLU 1 HB2 GLU 1 -4.828 2.195 11.443 4 HB3 GLU 1 HB1 GLU 1 -6.558 2.439 11.642 5 HG2 GLU 1 HG2 GLU 1 -5.150 4.591 10.226 6 HG3 GLU 1 HG1 GLU 1 -5.172 3.032 9.403 7 H NLE 2 HN NLE 2 -3.379 2.290 12.881 8 HA NLE 2 HA NLE 2 -1.386 4.197 13.614 9 HB2 NLE 2 HB2 NLE 2 -0.918 1.389 12.613 10 HB3 NLE 2 HB1 NLE 2 0.142 2.354 13.631 11 HG2 NLE 2 HG2 NLE 2 -0.909 1.743 15.498 12 HG3 NLE 2 HG1 NLE 2 -2.506 1.972 14.781 13 HD2 NLE 2 HD2 NLE 2 -0.729 -0.418 14.287 14 HD3 NLE 2 HD1 NLE 2 -2.059 -0.377 15.449 15 HE1 NLE 2 HE1 NLE 2 -2.675 0.435 12.672 16 HE2 NLE 2 HE2 NLE 2 -3.646 -0.474 13.831 17 HE3 NLE 2 HE3 NLE 2 -2.343 -1.274 12.952 18 H ARG 3 HN ARG 3 0.082 5.243 12.398 19 HA ARG 3 HA ARG 3 -0.313 5.420 9.584 20 HB2 ARG 3 HB2 ARG 3 1.778 6.548 11.441 21 HB3 ARG 3 HB1 ARG 3 1.798 6.846 9.708 22 HG2 ARG 3 HG2 ARG 3 -0.781 7.399 10.956 23 HG3 ARG 3 HG1 ARG 3 0.540 8.390 11.577 24 HD2 ARG 3 HD2 ARG 3 -0.547 9.482 9.693 25 HD3 ARG 3 HD1 ARG 3 1.116 9.053 9.294 26 HE ARG 3 HE ARG 3 0.329 7.620 7.688 27 HH11 ARG 3 HH11 ARG 3 -2.303 8.518 9.795 28 HH12 ARG 3 HH12 ARG 3 -3.518 7.802 8.790 29 HH21 ARG 3 HH21 ARG 3 -1.267 6.676 6.364 30 HH22 ARG 3 HH22 ARG 3 -2.930 6.756 6.842 31 H LEU 4 HN LEU 4 1.832 3.613 11.642 32 HA LEU 4 HA LEU 4 3.541 2.823 9.429 33 HB2 LEU 4 HB2 LEU 4 3.548 2.202 12.375 34 HB3 LEU 4 HB1 LEU 4 4.625 1.400 11.248 35 HG LEU 4 HG LEU 4 5.212 3.927 10.614 36 HD11 LEU 4 HD11 LEU 4 5.257 5.328 12.593 37 HD12 LEU 4 HD12 LEU 4 4.451 4.068 13.527 38 HD13 LEU 4 HD13 LEU 4 3.599 4.867 12.205 39 HD21 LEU 4 HD21 LEU 4 6.287 2.016 12.598 40 HD22 LEU 4 HD22 LEU 4 6.910 3.665 12.661 41 HD23 LEU 4 HD23 LEU 4 7.048 2.726 11.174 42 H LYS 5 HN LYS 5 1.086 2.041 8.769 43 HA LYS 5 HA LYS 5 1.079 -0.855 9.299 44 HB2 LYS 5 HB2 LYS 5 -0.872 0.213 10.315 45 HB3 LYS 5 HB1 LYS 5 -1.295 0.939 8.773 46 HG2 LYS 5 HG2 LYS 5 -2.704 -0.962 9.168 47 HG3 LYS 5 HG1 LYS 5 -1.610 -1.321 7.831 48 HD2 LYS 5 HD2 LYS 5 -0.160 -2.235 9.927 49 HD3 LYS 5 HD1 LYS 5 -1.798 -2.534 10.508 50 HE2 LYS 5 HE2 LYS 5 -0.796 -4.446 9.269 51 HE3 LYS 5 HE1 LYS 5 -2.311 -3.861 8.585 52 HZ1 LYS 5 HZ1 LYS 5 -0.155 -2.581 7.310 53 H LYS 6 HN LYS 6 -0.486 1.329 6.990 54 HA LYS 6 HA LYS 6 -0.684 -0.301 4.826 55 HB2 LYS 6 HB2 LYS 6 -0.189 2.641 5.060 56 HB3 LYS 6 HB1 LYS 6 -0.199 1.893 3.469 57 HG2 LYS 6 HG2 LYS 6 -2.471 1.344 5.305 58 HG3 LYS 6 HG1 LYS 6 -2.377 2.919 4.515 59 HD2 LYS 6 HD2 LYS 6 -2.741 2.053 2.438 60 HD3 LYS 6 HD1 LYS 6 -1.962 0.517 2.825 61 HE2 LYS 6 HE2 LYS 6 -4.315 0.139 2.522 62 HE3 LYS 6 HE1 LYS 6 -3.920 -0.066 4.228 63 HZ1 LYS 6 HZ1 LYS 6 -5.774 1.233 4.364 64 HZ2 LYS 6 HZ2 LYS 6 -5.461 2.059 2.921 65 HZ3 LYS 6 HZ3 LYS 6 -4.590 2.440 4.320 66 H PHE 7 HN PHE 7 2.200 1.386 5.913 67 HA PHE 7 HA PHE 7 3.773 0.601 3.638 68 HB2 PHE 7 HB2 PHE 7 4.627 2.553 4.500 69 HB3 PHE 7 HB1 PHE 7 4.236 2.119 6.159 70 HD1 PHE 7 HD1 PHE 7 6.405 0.682 3.472 71 HD2 PHE 7 HD2 PHE 7 6.073 1.992 7.507 72 HE1 PHE 7 HE1 PHE 7 8.756 0.065 3.862 73 HE2 PHE 7 HE2 PHE 7 8.422 1.380 7.904 74 HZ PHE 7 HZ PHE 7 9.767 0.415 6.080 75 H PHE 8 HN PHE 8 3.322 -0.513 6.944 76 HA PHE 8 HA PHE 8 5.403 -2.462 6.863 77 HB2 PHE 8 HB2 PHE 8 3.594 -1.436 8.800 78 HB3 PHE 8 HB1 PHE 8 3.381 -3.183 8.757 79 HD1 PHE 8 HD2 PHE 8 5.962 -4.281 8.329 80 HD2 PHE 8 HD1 PHE 8 4.888 -0.838 10.588 81 HE1 PHE 8 HE2 PHE 8 7.982 -4.560 9.706 82 HE2 PHE 8 HE1 PHE 8 6.907 -1.110 11.968 83 HZ PHE 8 HZ PHE 8 8.457 -2.972 11.528 84 H ASP 9 HN ASP 9 1.998 -2.437 6.060 85 HA ASP 9 HA ASP 9 1.723 -5.268 5.841 86 HB2 ASP 9 HB2 ASP 9 0.055 -2.904 5.089 87 HB3 ASP 9 HB1 ASP 9 -0.338 -4.473 4.395 88 H LYS 10 HN LYS 10 2.435 -2.652 3.589 89 HA LYS 10 HA LYS 10 2.361 -4.284 1.252 90 HB2 LYS 10 HB2 LYS 10 2.662 -1.537 1.828 91 HB3 LYS 10 HB1 LYS 10 4.108 -2.012 0.947 92 HG2 LYS 10 HG2 LYS 10 1.289 -2.516 0.015 93 HG3 LYS 10 HG1 LYS 10 2.304 -1.169 -0.508 94 HD2 LYS 10 HD2 LYS 10 2.962 -4.094 -0.863 95 HD3 LYS 10 HD1 LYS 10 2.316 -3.035 -2.117 96 HE2 LYS 10 HE2 LYS 10 4.385 -2.419 -2.633 97 HE3 LYS 10 HE1 LYS 10 4.568 -1.734 -1.018 98 HZ1 LYS 10 HZ1 LYS 10 6.027 -3.425 -0.605 99 H PHE 11 HN PHE 11 4.789 -3.458 3.614 100 HA PHE 11 HA PHE 11 7.057 -4.332 2.158 101 HB2 PHE 11 HB2 PHE 11 7.604 -2.957 3.951 102 HB3 PHE 11 HB1 PHE 11 6.466 -3.745 5.036 103 HD1 PHE 11 HD1 PHE 11 9.707 -4.231 3.295 104 HD2 PHE 11 HD2 PHE 11 7.181 -5.391 6.517 105 HE1 PHE 11 HE1 PHE 11 11.543 -5.561 4.252 106 HE2 PHE 11 HE2 PHE 11 9.012 -6.722 7.480 107 HZ PHE 11 HZ PHE 11 11.197 -6.808 6.347 108 H ILE 12 HN ILE 12 4.872 -5.928 4.441 109 HA ILE 12 HA ILE 12 6.326 -8.393 4.455 110 HB ILE 12 HB ILE 12 4.354 -9.319 5.612 111 HG12 ILE 12 HG12 ILE 12 3.155 -6.556 5.409 112 HG13 ILE 12 HG11 ILE 12 2.719 -7.863 4.313 113 HG21 ILE 12 HG21 ILE 12 6.187 -7.605 6.585 114 HG22 ILE 12 HG22 ILE 12 4.952 -8.382 7.576 115 HG23 ILE 12 HG23 ILE 12 4.706 -6.737 6.989 116 HD11 ILE 12 HD11 ILE 12 2.017 -7.446 7.145 117 HD12 ILE 12 HD12 ILE 12 2.320 -9.108 6.639 118 HD13 ILE 12 HD13 ILE 12 1.078 -8.152 5.830 119 H LEU 13 HN LEU 13 3.775 -7.036 2.506 120 HA LEU 13 HA LEU 13 3.091 -9.587 1.315 121 HB2 LEU 13 HB2 LEU 13 1.740 -7.203 1.662 122 HB3 LEU 13 HB1 LEU 13 2.113 -7.199 -0.051 123 HG LEU 13 HG LEU 13 1.061 -9.483 -0.195 124 HD11 LEU 13 HD11 LEU 13 1.271 -9.644 2.432 125 HD12 LEU 13 HD12 LEU 13 -0.026 -10.456 1.556 126 HD13 LEU 13 HD13 LEU 13 -0.336 -8.920 2.365 127 HD21 LEU 13 HD21 LEU 13 -1.003 -7.612 0.839 128 HD22 LEU 13 HD22 LEU 13 -0.989 -8.581 -0.634 129 HD23 LEU 13 HD23 LEU 13 -0.031 -7.103 -0.541 130 H ASP 14 HN ASP 14 5.058 -6.799 0.583 131 HA ASP 14 HA ASP 14 5.457 -7.507 -2.176 132 HB2 ASP 14 HB2 ASP 14 6.770 -5.486 -0.359 133 HB3 ASP 14 HB1 ASP 14 7.261 -5.722 -2.033 134 H ARG 15 HN ARG 15 7.005 -8.201 0.858 135 HA ARG 15 HA ARG 15 9.426 -9.193 -0.379 136 HB2 ARG 15 HB2 ARG 15 8.481 -8.671 2.358 137 HB3 ARG 15 HB1 ARG 15 9.524 -10.079 2.204 138 HG2 ARG 15 HG2 ARG 15 10.479 -7.675 0.816 139 HG3 ARG 15 HG1 ARG 15 10.401 -7.549 2.575 140 HD2 ARG 15 HD2 ARG 15 11.867 -9.634 0.965 141 HD3 ARG 15 HD1 ARG 15 12.582 -8.344 1.931 142 HE ARG 15 HE ARG 15 11.529 -10.852 2.880 143 HH11 ARG 15 HH11 ARG 15 12.358 -7.571 3.738 144 HH12 ARG 15 HH12 ARG 15 12.551 -7.929 5.421 145 HH21 ARG 15 HH21 ARG 15 11.781 -11.322 5.094 146 HH22 ARG 15 HH22 ARG 15 12.223 -10.057 6.191 147 H LYS 16 HN LYS 16 6.461 -10.477 0.988 148 HA LYS 16 HA LYS 16 7.271 -13.196 1.040 149 HB2 LYS 16 HB2 LYS 16 4.823 -11.677 1.505 150 HB3 LYS 16 HB1 LYS 16 4.516 -13.233 0.748 151 HG2 LYS 16 HG2 LYS 16 4.406 -13.319 3.203 152 HG3 LYS 16 HG1 LYS 16 5.648 -14.381 2.536 153 HD2 LYS 16 HD2 LYS 16 7.376 -12.810 3.112 154 HD3 LYS 16 HD1 LYS 16 6.179 -11.616 3.618 155 HE2 LYS 16 HE2 LYS 16 5.985 -14.235 4.944 156 HE3 LYS 16 HE1 LYS 16 7.450 -13.320 5.298 157 HZ1 LYS 16 HZ1 LYS 16 5.974 -12.597 6.900 158 HZ2 LYS 16 HZ2 LYS 16 4.646 -12.604 5.853 159 HZ3 LYS 16 HZ3 LYS 16 5.821 -11.395 5.718 160 H LYS 17 HN LYS 17 5.962 -11.115 -1.431 161 HA LYS 17 HA LYS 17 5.023 -13.045 -3.229 162 HB2 LYS 17 HB2 LYS 17 4.561 -10.642 -3.459 163 HB3 LYS 17 HB1 LYS 17 6.254 -10.350 -3.834 164 HG2 LYS 17 HG2 LYS 17 4.856 -10.362 -5.838 165 HG3 LYS 17 HG1 LYS 17 6.060 -11.652 -5.867 166 HD2 LYS 17 HD2 LYS 17 4.340 -13.242 -5.099 167 HD3 LYS 17 HD1 LYS 17 3.144 -11.944 -5.143 168 HE2 LYS 17 HE2 LYS 17 3.147 -13.446 -7.149 169 HE3 LYS 17 HE1 LYS 17 3.345 -11.730 -7.504 170 HZ1 LYS 17 HZ1 LYS 17 5.605 -13.640 -7.290 171 HZ2 LYS 17 HZ2 LYS 17 5.667 -12.042 -7.839 172 HZ3 LYS 17 HZ3 LYS 17 4.866 -13.218 -8.752 173 HN1 NH2 18 HN1 NH2 18 8.241 -11.895 -2.553 174 HN2 NH2 18 HN2 NH2 18 9.067 -12.930 -3.662 Start of MODEL 10 1 H1 GLU 1 HN GLU 1 0.587 4.862 15.812 2 HA GLU 1 HA GLU 1 -2.165 5.500 15.433 3 HB2 GLU 1 HB2 GLU 1 0.421 6.370 14.255 4 HB3 GLU 1 HB1 GLU 1 -1.030 6.655 13.303 5 HG2 GLU 1 HG2 GLU 1 -0.746 8.619 14.507 6 HG3 GLU 1 HG1 GLU 1 -1.981 7.741 15.409 7 H NLE 2 HN NLE 2 -3.417 5.229 13.525 8 HA NLE 2 HA NLE 2 -3.351 2.636 12.448 9 HB2 NLE 2 HB2 NLE 2 -4.784 5.092 11.422 10 HB3 NLE 2 HB1 NLE 2 -5.117 3.440 10.919 11 HG2 NLE 2 HG2 NLE 2 -6.281 2.964 12.784 12 HG3 NLE 2 HG1 NLE 2 -5.226 3.928 13.819 13 HD2 NLE 2 HD2 NLE 2 -7.109 5.225 11.873 14 HD3 NLE 2 HD1 NLE 2 -7.647 4.727 13.481 15 HE1 NLE 2 HE1 NLE 2 -7.039 6.965 13.747 16 HE2 NLE 2 HE2 NLE 2 -5.608 6.792 12.731 17 HE3 NLE 2 HE3 NLE 2 -5.639 6.073 14.341 18 H ARG 3 HN ARG 3 -1.656 5.474 11.553 19 HA ARG 3 HA ARG 3 -1.337 5.121 8.805 20 HB2 ARG 3 HB2 ARG 3 0.622 6.528 8.994 21 HB3 ARG 3 HB1 ARG 3 -0.645 7.142 10.047 22 HG2 ARG 3 HG2 ARG 3 0.586 5.684 11.849 23 HG3 ARG 3 HG1 ARG 3 1.949 5.864 10.742 24 HD2 ARG 3 HD2 ARG 3 0.442 7.976 12.243 25 HD3 ARG 3 HD1 ARG 3 2.176 7.662 12.214 26 HE ARG 3 HE ARG 3 0.716 9.334 10.437 27 HH11 ARG 3 HH11 ARG 3 3.447 7.166 10.593 28 HH12 ARG 3 HH12 ARG 3 4.279 7.920 9.275 29 HH21 ARG 3 HH21 ARG 3 1.809 10.326 8.704 30 HH22 ARG 3 HH22 ARG 3 3.350 9.714 8.203 31 H LEU 4 HN LEU 4 -0.084 3.271 11.414 32 HA LEU 4 HA LEU 4 2.161 2.194 9.972 33 HB2 LEU 4 HB2 LEU 4 1.622 2.394 12.595 34 HB3 LEU 4 HB1 LEU 4 1.050 0.760 12.317 35 HG LEU 4 HG LEU 4 3.549 0.831 11.082 36 HD11 LEU 4 HD11 LEU 4 3.738 3.021 12.475 37 HD12 LEU 4 HD12 LEU 4 5.073 1.868 12.464 38 HD13 LEU 4 HD13 LEU 4 3.961 1.917 13.832 39 HD21 LEU 4 HD21 LEU 4 2.647 -1.068 12.261 40 HD22 LEU 4 HD22 LEU 4 2.716 -0.195 13.792 41 HD23 LEU 4 HD23 LEU 4 4.207 -0.636 12.961 42 H LYS 5 HN LYS 5 0.309 1.834 8.218 43 HA LYS 5 HA LYS 5 -0.311 -1.031 8.326 44 HB2 LYS 5 HB2 LYS 5 -2.363 0.235 8.851 45 HB3 LYS 5 HB1 LYS 5 -2.194 1.118 7.344 46 HG2 LYS 5 HG2 LYS 5 -3.815 -0.548 6.966 47 HG3 LYS 5 HG1 LYS 5 -2.345 -1.092 6.155 48 HD2 LYS 5 HD2 LYS 5 -1.905 -2.326 8.416 49 HD3 LYS 5 HD1 LYS 5 -3.646 -2.134 8.634 50 HE2 LYS 5 HE2 LYS 5 -2.991 -4.295 7.586 51 HE3 LYS 5 HE1 LYS 5 -4.096 -3.329 6.609 52 HZ1 LYS 5 HZ1 LYS 5 -2.316 -2.845 5.128 53 H LYS 6 HN LYS 6 -0.645 1.721 6.129 54 HA LYS 6 HA LYS 6 -0.425 0.522 3.710 55 HB2 LYS 6 HB2 LYS 6 1.124 3.039 4.254 56 HB3 LYS 6 HB1 LYS 6 0.274 2.577 2.788 57 HG2 LYS 6 HG2 LYS 6 -0.888 3.525 5.389 58 HG3 LYS 6 HG1 LYS 6 -1.015 4.266 3.794 59 HD2 LYS 6 HD2 LYS 6 -2.228 2.126 3.094 60 HD3 LYS 6 HD1 LYS 6 -2.361 1.784 4.820 61 HE2 LYS 6 HE2 LYS 6 -3.325 4.323 3.513 62 HE3 LYS 6 HE1 LYS 6 -4.351 2.927 3.839 63 HZ1 LYS 6 HZ1 LYS 6 -4.704 4.246 5.673 64 HZ2 LYS 6 HZ2 LYS 6 -3.106 4.795 5.741 65 HZ3 LYS 6 HZ3 LYS 6 -3.480 3.223 6.239 66 H PHE 7 HN PHE 7 2.378 1.781 5.485 67 HA PHE 7 HA PHE 7 4.263 0.542 3.750 68 HB2 PHE 7 HB2 PHE 7 4.319 2.365 5.976 69 HB3 PHE 7 HB1 PHE 7 5.528 1.107 6.210 70 HD1 PHE 7 HD2 PHE 7 7.104 0.636 4.224 71 HD2 PHE 7 HD1 PHE 7 4.782 4.180 4.623 72 HE1 PHE 7 HE2 PHE 7 8.616 1.797 2.667 73 HE2 PHE 7 HE1 PHE 7 6.289 5.347 3.066 74 HZ PHE 7 HZ PHE 7 8.209 4.155 2.087 75 H PHE 8 HN PHE 8 2.787 -0.349 6.810 76 HA PHE 8 HA PHE 8 4.512 -2.476 7.456 77 HB2 PHE 8 HB2 PHE 8 2.390 -1.280 8.692 78 HB3 PHE 8 HB1 PHE 8 1.691 -2.825 8.222 79 HD1 PHE 8 HD2 PHE 8 4.179 -1.158 10.310 80 HD2 PHE 8 HD1 PHE 8 2.489 -4.896 9.178 81 HE1 PHE 8 HE2 PHE 8 5.245 -2.224 12.255 82 HE2 PHE 8 HE1 PHE 8 3.551 -5.969 11.121 83 HZ PHE 8 HZ PHE 8 4.932 -4.633 12.662 84 H ASP 9 HN ASP 9 1.222 -2.677 6.134 85 HA ASP 9 HA ASP 9 1.340 -5.376 5.427 86 HB2 ASP 9 HB2 ASP 9 -0.298 -3.137 4.220 87 HB3 ASP 9 HB1 ASP 9 -0.566 -4.850 3.903 88 H LYS 10 HN LYS 10 2.580 -2.542 3.854 89 HA LYS 10 HA LYS 10 2.899 -3.632 1.259 90 HB2 LYS 10 HB2 LYS 10 2.976 -1.275 1.428 91 HB3 LYS 10 HB1 LYS 10 4.167 -1.324 2.719 92 HG2 LYS 10 HG2 LYS 10 5.144 -0.559 0.625 93 HG3 LYS 10 HG1 LYS 10 5.863 -2.082 1.150 94 HD2 LYS 10 HD2 LYS 10 3.975 -3.103 -0.386 95 HD3 LYS 10 HD1 LYS 10 4.068 -1.519 -1.158 96 HE2 LYS 10 HE2 LYS 10 5.567 -2.911 -2.340 97 HE3 LYS 10 HE1 LYS 10 6.564 -1.883 -1.312 98 HZ1 LYS 10 HZ1 LYS 10 6.508 -3.910 0.254 99 H PHE 11 HN PHE 11 4.961 -3.499 4.117 100 HA PHE 11 HA PHE 11 7.249 -4.643 2.874 101 HB2 PHE 11 HB2 PHE 11 6.406 -4.281 5.742 102 HB3 PHE 11 HB1 PHE 11 7.888 -5.134 5.321 103 HD1 PHE 11 HD1 PHE 11 8.923 -3.572 3.094 104 HD2 PHE 11 HD2 PHE 11 7.053 -2.281 6.693 105 HE1 PHE 11 HE1 PHE 11 10.115 -1.425 2.939 106 HE2 PHE 11 HE2 PHE 11 8.242 -0.132 6.544 107 HZ PHE 11 HZ PHE 11 9.775 0.298 4.666 108 H ILE 12 HN ILE 12 4.550 -5.965 4.732 109 HA ILE 12 HA ILE 12 5.535 -8.622 4.850 110 HB ILE 12 HB ILE 12 2.648 -7.751 4.985 111 HG12 ILE 12 HG12 ILE 12 4.703 -7.959 7.199 112 HG13 ILE 12 HG11 ILE 12 4.003 -6.467 6.578 113 HG21 ILE 12 HG21 ILE 12 3.046 -10.170 4.710 114 HG22 ILE 12 HG22 ILE 12 2.312 -9.775 6.264 115 HG23 ILE 12 HG23 ILE 12 4.032 -10.153 6.172 116 HD11 ILE 12 HD11 ILE 12 1.756 -7.723 7.255 117 HD12 ILE 12 HD12 ILE 12 2.681 -6.734 8.386 118 HD13 ILE 12 HD13 ILE 12 2.859 -8.489 8.398 119 H LEU 13 HN LEU 13 3.796 -6.817 2.437 120 HA LEU 13 HA LEU 13 2.984 -9.170 0.967 121 HB2 LEU 13 HB2 LEU 13 1.776 -6.884 1.115 122 HB3 LEU 13 HB1 LEU 13 2.930 -6.371 -0.102 123 HG LEU 13 HG LEU 13 1.766 -8.834 -0.959 124 HD11 LEU 13 HD11 LEU 13 -0.231 -8.677 0.092 125 HD12 LEU 13 HD12 LEU 13 -0.575 -7.582 -1.247 126 HD13 LEU 13 HD13 LEU 13 -0.100 -6.933 0.322 127 HD21 LEU 13 HD21 LEU 13 1.120 -7.509 -2.881 128 HD22 LEU 13 HD22 LEU 13 2.756 -7.084 -2.378 129 HD23 LEU 13 HD23 LEU 13 1.407 -6.019 -1.981 130 H ASP 14 HN ASP 14 5.429 -6.646 0.695 131 HA ASP 14 HA ASP 14 6.399 -7.406 -1.848 132 HB2 ASP 14 HB2 ASP 14 7.503 -5.772 0.412 133 HB3 ASP 14 HB1 ASP 14 8.533 -6.191 -0.954 134 H ARG 15 HN ARG 15 7.050 -8.547 1.387 135 HA ARG 15 HA ARG 15 9.447 -9.942 0.808 136 HB2 ARG 15 HB2 ARG 15 9.106 -11.059 2.934 137 HB3 ARG 15 HB1 ARG 15 8.741 -9.348 3.097 138 HG2 ARG 15 HG2 ARG 15 6.571 -9.717 3.558 139 HG3 ARG 15 HG1 ARG 15 6.451 -11.074 2.438 140 HD2 ARG 15 HD2 ARG 15 6.494 -12.429 4.200 141 HD3 ARG 15 HD1 ARG 15 8.170 -11.947 4.453 142 HE ARG 15 HE ARG 15 5.878 -11.139 5.993 143 HH11 ARG 15 HH11 ARG 15 9.143 -10.325 5.066 144 HH12 ARG 15 HH12 ARG 15 9.424 -9.336 6.459 145 HH21 ARG 15 HH21 ARG 15 6.246 -9.838 7.825 146 HH22 ARG 15 HH22 ARG 15 7.780 -9.059 8.026 147 H LYS 16 HN LYS 16 6.094 -10.659 0.298 148 HA LYS 16 HA LYS 16 6.020 -13.405 0.223 149 HB2 LYS 16 HB2 LYS 16 4.655 -11.417 -1.590 150 HB3 LYS 16 HB1 LYS 16 4.265 -13.131 -1.556 151 HG2 LYS 16 HG2 LYS 16 3.928 -12.697 1.001 152 HG3 LYS 16 HG1 LYS 16 3.732 -11.023 0.477 153 HD2 LYS 16 HD2 LYS 16 2.159 -13.391 -0.538 154 HD3 LYS 16 HD1 LYS 16 1.578 -12.177 0.604 155 HE2 LYS 16 HE2 LYS 16 2.452 -10.628 -1.464 156 HE3 LYS 16 HE1 LYS 16 1.849 -12.051 -2.312 157 HZ1 LYS 16 HZ1 LYS 16 -0.276 -11.648 -1.672 158 HZ2 LYS 16 HZ2 LYS 16 0.285 -10.052 -1.666 159 HZ3 LYS 16 HZ3 LYS 16 0.164 -10.910 -0.214 160 H LYS 17 HN LYS 17 6.191 -11.604 -2.820 161 HA LYS 17 HA LYS 17 7.369 -13.774 -4.214 162 HB2 LYS 17 HB2 LYS 17 5.988 -11.673 -5.050 163 HB3 LYS 17 HB1 LYS 17 7.593 -10.986 -5.255 164 HG2 LYS 17 HG2 LYS 17 7.504 -13.635 -6.357 165 HG3 LYS 17 HG1 LYS 17 6.202 -12.648 -7.022 166 HD2 LYS 17 HD2 LYS 17 8.875 -11.387 -6.845 167 HD3 LYS 17 HD1 LYS 17 8.682 -12.675 -8.036 168 HE2 LYS 17 HE2 LYS 17 8.138 -10.732 -9.211 169 HE3 LYS 17 HE1 LYS 17 6.574 -11.417 -8.771 170 HZ1 LYS 17 HZ1 LYS 17 6.587 -9.063 -8.352 171 HZ2 LYS 17 HZ2 LYS 17 7.970 -9.191 -7.387 172 HZ3 LYS 17 HZ3 LYS 17 6.515 -9.884 -6.874 173 HN1 NH2 18 HN1 NH2 18 8.719 -10.541 -3.592 174 HN2 NH2 18 HN2 NH2 18 10.363 -11.059 -3.478 Start of MODEL 11 1 H1 GLU 1 HN GLU 1 -5.506 8.306 12.370 2 HA GLU 1 HA GLU 1 -4.659 6.564 14.480 3 HB2 GLU 1 HB2 GLU 1 -5.473 4.763 13.053 4 HB3 GLU 1 HB1 GLU 1 -6.643 6.074 13.112 5 HG2 GLU 1 HG2 GLU 1 -6.673 6.048 10.903 6 HG3 GLU 1 HG1 GLU 1 -5.019 6.658 10.927 7 H NLE 2 HN NLE 2 -3.299 4.601 13.968 8 HA NLE 2 HA NLE 2 -0.738 5.483 13.049 9 HB2 NLE 2 HB2 NLE 2 -1.506 3.634 14.849 10 HB3 NLE 2 HB1 NLE 2 -1.226 2.587 13.464 11 HG2 NLE 2 HG2 NLE 2 1.022 4.066 13.398 12 HG3 NLE 2 HG1 NLE 2 0.685 4.078 15.130 13 HD2 NLE 2 HD2 NLE 2 0.853 1.757 15.301 14 HD3 NLE 2 HD1 NLE 2 0.618 1.519 13.566 15 HE1 NLE 2 HE1 NLE 2 2.816 2.528 13.151 16 HE2 NLE 2 HE2 NLE 2 2.930 1.104 14.186 17 HE3 NLE 2 HE3 NLE 2 3.048 2.717 14.889 18 H ARG 3 HN ARG 3 -0.741 5.913 10.883 19 HA ARG 3 HA ARG 3 -1.716 3.874 9.033 20 HB2 ARG 3 HB2 ARG 3 -0.566 6.562 8.305 21 HB3 ARG 3 HB1 ARG 3 -1.609 5.532 7.335 22 HG2 ARG 3 HG2 ARG 3 -3.393 5.899 9.079 23 HG3 ARG 3 HG1 ARG 3 -2.343 7.143 9.761 24 HD2 ARG 3 HD2 ARG 3 -3.955 8.162 8.278 25 HD3 ARG 3 HD1 ARG 3 -2.340 8.296 7.583 26 HE ARG 3 HE ARG 3 -3.063 7.060 5.812 27 HH11 ARG 3 HH11 ARG 3 -5.216 6.485 8.497 28 HH12 ARG 3 HH12 ARG 3 -6.315 5.518 7.572 29 HH21 ARG 3 HH21 ARG 3 -4.505 5.787 4.593 30 HH22 ARG 3 HH22 ARG 3 -5.911 5.121 5.355 31 H LEU 4 HN LEU 4 0.748 3.500 10.626 32 HA LEU 4 HA LEU 4 2.637 3.201 8.386 33 HB2 LEU 4 HB2 LEU 4 3.116 4.028 11.227 34 HB3 LEU 4 HB1 LEU 4 4.390 3.253 10.304 35 HG LEU 4 HG LEU 4 4.529 5.734 10.318 36 HD11 LEU 4 HD11 LEU 4 4.399 5.803 7.636 37 HD12 LEU 4 HD12 LEU 4 4.392 4.058 7.895 38 HD13 LEU 4 HD13 LEU 4 5.714 5.039 8.529 39 HD21 LEU 4 HD21 LEU 4 2.230 5.830 8.424 40 HD22 LEU 4 HD22 LEU 4 2.918 7.106 9.429 41 HD23 LEU 4 HD23 LEU 4 1.917 5.851 10.159 42 H LYS 5 HN LYS 5 0.823 1.235 8.823 43 HA LYS 5 HA LYS 5 2.545 -0.945 9.682 44 HB2 LYS 5 HB2 LYS 5 0.783 -0.048 11.503 45 HB3 LYS 5 HB1 LYS 5 -0.253 -1.167 10.628 46 HG2 LYS 5 HG2 LYS 5 2.426 -1.926 11.764 47 HG3 LYS 5 HG1 LYS 5 0.900 -2.124 12.628 48 HD2 LYS 5 HD2 LYS 5 0.465 -4.014 11.538 49 HD3 LYS 5 HD1 LYS 5 0.686 -3.220 9.980 50 HE2 LYS 5 HE2 LYS 5 3.258 -3.480 10.805 51 HE3 LYS 5 HE1 LYS 5 2.529 -4.911 11.527 52 HZ1 LYS 5 HZ1 LYS 5 3.383 -4.973 9.039 53 H LYS 6 HN LYS 6 -0.626 -0.056 8.371 54 HA LYS 6 HA LYS 6 -1.366 -2.408 7.165 55 HB2 LYS 6 HB2 LYS 6 -1.733 0.446 6.284 56 HB3 LYS 6 HB1 LYS 6 -2.417 -0.894 5.375 57 HG2 LYS 6 HG2 LYS 6 -3.030 -1.046 8.210 58 HG3 LYS 6 HG1 LYS 6 -3.611 0.444 7.463 59 HD2 LYS 6 HD2 LYS 6 -5.325 -1.256 7.324 60 HD3 LYS 6 HD1 LYS 6 -4.710 -0.904 5.708 61 HE2 LYS 6 HE2 LYS 6 -4.871 -3.248 5.817 62 HE3 LYS 6 HE1 LYS 6 -3.158 -2.887 6.027 63 HZ1 LYS 6 HZ1 LYS 6 -5.106 -3.867 7.995 64 HZ2 LYS 6 HZ2 LYS 6 -3.798 -2.939 8.533 65 HZ3 LYS 6 HZ3 LYS 6 -3.522 -4.385 7.700 66 H PHE 7 HN PHE 7 0.482 0.194 5.622 67 HA PHE 7 HA PHE 7 1.178 -1.367 3.343 68 HB2 PHE 7 HB2 PHE 7 1.099 1.073 3.218 69 HB3 PHE 7 HB1 PHE 7 2.378 1.196 4.421 70 HD1 PHE 7 HD1 PHE 7 4.663 0.276 3.839 71 HD2 PHE 7 HD2 PHE 7 1.598 0.878 0.948 72 HE1 PHE 7 HE1 PHE 7 6.351 0.244 2.049 73 HE2 PHE 7 HE2 PHE 7 3.281 0.845 -0.848 74 HZ PHE 7 HZ PHE 7 5.660 0.528 -0.298 75 H PHE 8 HN PHE 8 2.535 -0.873 6.499 76 HA PHE 8 HA PHE 8 5.178 -1.670 6.038 77 HB2 PHE 8 HB2 PHE 8 4.219 -0.627 8.148 78 HB3 PHE 8 HB1 PHE 8 3.623 -2.231 8.561 79 HD1 PHE 8 HD2 PHE 8 6.762 -0.454 7.638 80 HD2 PHE 8 HD1 PHE 8 4.961 -3.659 9.782 81 HE1 PHE 8 HE2 PHE 8 8.939 -0.998 8.647 82 HE2 PHE 8 HE1 PHE 8 7.135 -4.208 10.796 83 HZ PHE 8 HZ PHE 8 9.128 -2.877 10.228 84 H ASP 9 HN ASP 9 2.494 -3.608 7.344 85 HA ASP 9 HA ASP 9 3.817 -6.069 7.256 86 HB2 ASP 9 HB2 ASP 9 0.851 -5.815 6.815 87 HB3 ASP 9 HB1 ASP 9 1.727 -7.097 7.638 88 H LYS 10 HN LYS 10 1.769 -4.462 4.873 89 HA LYS 10 HA LYS 10 1.770 -6.548 2.972 90 HB2 LYS 10 HB2 LYS 10 0.898 -3.768 3.102 91 HB3 LYS 10 HB1 LYS 10 1.501 -4.206 1.509 92 HG2 LYS 10 HG2 LYS 10 -0.534 -5.868 2.959 93 HG3 LYS 10 HG1 LYS 10 -0.981 -4.504 1.932 94 HD2 LYS 10 HD2 LYS 10 0.642 -6.893 1.056 95 HD3 LYS 10 HD1 LYS 10 -1.075 -6.650 0.729 96 HE2 LYS 10 HE2 LYS 10 -0.411 -5.674 -1.168 97 HE3 LYS 10 HE1 LYS 10 0.047 -4.305 -0.155 98 HZ1 LYS 10 HZ1 LYS 10 2.160 -4.725 -0.881 99 H PHE 11 HN PHE 11 4.014 -3.967 3.676 100 HA PHE 11 HA PHE 11 5.498 -4.109 1.263 101 HB2 PHE 11 HB2 PHE 11 5.564 -2.175 2.820 102 HB3 PHE 11 HB1 PHE 11 6.424 -3.174 3.987 103 HD1 PHE 11 HD1 PHE 11 6.649 -1.758 0.569 104 HD2 PHE 11 HD2 PHE 11 8.745 -3.388 3.895 105 HE1 PHE 11 HE1 PHE 11 8.787 -1.121 -0.471 106 HE2 PHE 11 HE2 PHE 11 10.886 -2.753 2.862 107 HZ PHE 11 HZ PHE 11 10.909 -1.618 0.677 108 H ILE 12 HN ILE 12 5.834 -5.681 4.416 109 HA ILE 12 HA ILE 12 8.288 -6.988 3.770 110 HB ILE 12 HB ILE 12 6.303 -7.770 5.905 111 HG12 ILE 12 HG12 ILE 12 8.652 -5.871 6.093 112 HG13 ILE 12 HG11 ILE 12 6.960 -5.385 6.072 113 HG21 ILE 12 HG21 ILE 12 9.277 -8.233 5.735 114 HG22 ILE 12 HG22 ILE 12 8.044 -9.438 5.362 115 HG23 ILE 12 HG23 ILE 12 8.189 -8.802 7.001 116 HD11 ILE 12 HD11 ILE 12 7.290 -7.318 8.116 117 HD12 ILE 12 HD12 ILE 12 6.873 -5.611 8.264 118 HD13 ILE 12 HD13 ILE 12 8.564 -6.111 8.283 119 H LEU 13 HN LEU 13 4.942 -7.693 3.208 120 HA LEU 13 HA LEU 13 5.511 -10.484 2.584 121 HB2 LEU 13 HB2 LEU 13 3.248 -9.085 3.533 122 HB3 LEU 13 HB1 LEU 13 2.825 -9.715 1.952 123 HG LEU 13 HG LEU 13 4.122 -11.592 3.856 124 HD11 LEU 13 HD11 LEU 13 2.264 -10.147 5.011 125 HD12 LEU 13 HD12 LEU 13 2.321 -11.894 5.240 126 HD13 LEU 13 HD13 LEU 13 1.180 -11.192 4.093 127 HD21 LEU 13 HD21 LEU 13 2.254 -11.663 1.557 128 HD22 LEU 13 HD22 LEU 13 2.077 -12.915 2.786 129 HD23 LEU 13 HD23 LEU 13 3.615 -12.714 1.947 130 H ASP 14 HN ASP 14 3.953 -7.727 0.973 131 HA ASP 14 HA ASP 14 3.758 -8.832 -1.566 132 HB2 ASP 14 HB2 ASP 14 4.154 -5.943 -0.766 133 HB3 ASP 14 HB1 ASP 14 3.708 -6.470 -2.386 134 H ARG 15 HN ARG 15 6.467 -7.173 -0.036 135 HA ARG 15 HA ARG 15 8.090 -6.913 -2.316 136 HB2 ARG 15 HB2 ARG 15 8.510 -5.731 -0.190 137 HB3 ARG 15 HB1 ARG 15 8.944 -7.259 0.562 138 HG2 ARG 15 HG2 ARG 15 11.040 -6.796 -0.003 139 HG3 ARG 15 HG1 ARG 15 10.570 -7.154 -1.665 140 HD2 ARG 15 HD2 ARG 15 10.103 -4.424 -0.547 141 HD3 ARG 15 HD1 ARG 15 11.719 -4.882 -1.081 142 HE ARG 15 HE ARG 15 9.429 -4.342 -2.736 143 HH11 ARG 15 HH11 ARG 15 12.517 -5.958 -2.552 144 HH12 ARG 15 HH12 ARG 15 12.747 -5.983 -4.268 145 HH21 ARG 15 HH21 ARG 15 9.729 -4.377 -4.993 146 HH22 ARG 15 HH22 ARG 15 11.165 -5.085 -5.654 147 H LYS 16 HN LYS 16 7.667 -9.537 -0.012 148 HA LYS 16 HA LYS 16 9.658 -11.153 -1.412 149 HB2 LYS 16 HB2 LYS 16 8.861 -10.964 1.272 150 HB3 LYS 16 HB1 LYS 16 8.284 -12.533 0.726 151 HG2 LYS 16 HG2 LYS 16 11.114 -11.513 0.612 152 HG3 LYS 16 HG1 LYS 16 10.477 -12.766 1.679 153 HD2 LYS 16 HD2 LYS 16 9.947 -13.314 -1.130 154 HD3 LYS 16 HD1 LYS 16 11.671 -13.163 -0.783 155 HE2 LYS 16 HE2 LYS 16 11.333 -14.776 1.108 156 HE3 LYS 16 HE1 LYS 16 9.691 -15.026 0.517 157 HZ1 LYS 16 HZ1 LYS 16 12.206 -15.598 -0.953 158 HZ2 LYS 16 HZ2 LYS 16 10.658 -15.729 -1.621 159 HZ3 LYS 16 HZ3 LYS 16 11.112 -16.734 -0.339 160 H LYS 17 HN LYS 17 7.285 -10.507 -2.832 161 HA LYS 17 HA LYS 17 5.377 -12.596 -2.723 162 HB2 LYS 17 HB2 LYS 17 4.552 -11.719 -4.826 163 HB3 LYS 17 HB1 LYS 17 4.934 -10.388 -3.743 164 HG2 LYS 17 HG2 LYS 17 6.016 -9.522 -5.488 165 HG3 LYS 17 HG1 LYS 17 7.278 -10.697 -5.110 166 HD2 LYS 17 HD2 LYS 17 6.538 -12.189 -6.762 167 HD3 LYS 17 HD1 LYS 17 4.974 -11.386 -6.908 168 HE2 LYS 17 HE2 LYS 17 6.703 -9.368 -7.530 169 HE3 LYS 17 HE1 LYS 17 7.538 -10.775 -8.189 170 HZ1 LYS 17 HZ1 LYS 17 5.068 -9.519 -9.044 171 HZ2 LYS 17 HZ2 LYS 17 5.057 -11.210 -9.053 172 HZ3 LYS 17 HZ3 LYS 17 6.221 -10.369 -9.945 173 HN1 NH2 18 HN1 NH2 18 4.959 -13.898 -4.836 174 HN2 NH2 18 HN2 NH2 18 6.316 -14.788 -5.428 Start of MODEL 12 1 H1 GLU 1 HN GLU 1 -5.865 5.809 12.801 2 HA GLU 1 HA GLU 1 -6.088 3.114 12.315 3 HB2 GLU 1 HB2 GLU 1 -5.752 2.876 9.914 4 HB3 GLU 1 HB1 GLU 1 -7.258 3.722 10.239 5 HG2 GLU 1 HG2 GLU 1 -6.255 5.831 9.677 6 HG3 GLU 1 HG1 GLU 1 -4.673 5.073 9.500 7 H NLE 2 HN NLE 2 -4.044 2.165 11.323 8 HA NLE 2 HA NLE 2 -1.798 3.403 12.558 9 HB2 NLE 2 HB2 NLE 2 -2.203 0.950 10.884 10 HB3 NLE 2 HB1 NLE 2 -0.574 1.510 11.234 11 HG2 NLE 2 HG2 NLE 2 -2.671 0.743 13.254 12 HG3 NLE 2 HG1 NLE 2 -1.239 -0.190 12.815 13 HD2 NLE 2 HD2 NLE 2 -0.177 0.859 14.477 14 HD3 NLE 2 HD1 NLE 2 -0.255 2.326 13.495 15 HE1 NLE 2 HE1 NLE 2 -2.015 3.183 14.684 16 HE2 NLE 2 HE2 NLE 2 -1.193 2.274 15.952 17 HE3 NLE 2 HE3 NLE 2 -2.612 1.593 15.157 18 H ARG 3 HN ARG 3 -0.503 4.910 11.760 19 HA ARG 3 HA ARG 3 -0.642 5.538 8.909 20 HB2 ARG 3 HB2 ARG 3 0.811 7.542 9.719 21 HB3 ARG 3 HB1 ARG 3 -0.908 7.514 10.086 22 HG2 ARG 3 HG2 ARG 3 0.885 6.305 12.096 23 HG3 ARG 3 HG1 ARG 3 0.976 8.057 11.900 24 HD2 ARG 3 HD2 ARG 3 -1.401 8.260 12.297 25 HD3 ARG 3 HD1 ARG 3 -1.567 6.507 12.376 26 HE ARG 3 HE ARG 3 0.276 7.163 14.309 27 HH11 ARG 3 HH11 ARG 3 -3.045 7.984 13.618 28 HH12 ARG 3 HH12 ARG 3 -3.464 8.222 15.281 29 HH21 ARG 3 HH21 ARG 3 -0.272 7.479 16.498 30 HH22 ARG 3 HH22 ARG 3 -1.890 7.936 16.916 31 H LEU 4 HN LEU 4 1.504 4.188 11.265 32 HA LEU 4 HA LEU 4 3.589 3.989 9.194 33 HB2 LEU 4 HB2 LEU 4 5.187 3.870 11.213 34 HB3 LEU 4 HB1 LEU 4 4.580 5.435 10.708 35 HG LEU 4 HG LEU 4 2.764 5.067 12.521 36 HD11 LEU 4 HD11 LEU 4 3.154 2.764 13.021 37 HD12 LEU 4 HD12 LEU 4 3.624 3.715 14.429 38 HD13 LEU 4 HD13 LEU 4 4.860 3.070 13.349 39 HD21 LEU 4 HD21 LEU 4 5.397 5.438 13.811 40 HD22 LEU 4 HD22 LEU 4 3.953 6.451 13.859 41 HD23 LEU 4 HD23 LEU 4 5.021 6.503 12.456 42 H LYS 5 HN LYS 5 1.807 2.049 9.168 43 HA LYS 5 HA LYS 5 3.317 -0.248 10.050 44 HB2 LYS 5 HB2 LYS 5 1.459 0.614 11.814 45 HB3 LYS 5 HB1 LYS 5 0.468 -0.441 10.816 46 HG2 LYS 5 HG2 LYS 5 2.954 -1.191 12.337 47 HG3 LYS 5 HG1 LYS 5 1.297 -1.687 12.683 48 HD2 LYS 5 HD2 LYS 5 2.778 -2.358 10.143 49 HD3 LYS 5 HD1 LYS 5 2.661 -3.431 11.539 50 HE2 LYS 5 HE2 LYS 5 0.546 -4.018 11.062 51 HE3 LYS 5 HE1 LYS 5 0.091 -2.377 10.605 52 HZ1 LYS 5 HZ1 LYS 5 0.582 -2.874 8.411 53 H LYS 6 HN LYS 6 0.311 0.918 8.603 54 HA LYS 6 HA LYS 6 -0.486 -1.319 7.208 55 HB2 LYS 6 HB2 LYS 6 -1.450 1.156 7.384 56 HB3 LYS 6 HB1 LYS 6 -0.673 1.305 5.814 57 HG2 LYS 6 HG2 LYS 6 -2.427 0.352 4.868 58 HG3 LYS 6 HG1 LYS 6 -2.123 -1.118 5.796 59 HD2 LYS 6 HD2 LYS 6 -4.176 -0.716 6.635 60 HD3 LYS 6 HD1 LYS 6 -3.319 0.427 7.672 61 HE2 LYS 6 HE2 LYS 6 -4.843 0.991 5.141 62 HE3 LYS 6 HE1 LYS 6 -5.172 1.593 6.765 63 HZ1 LYS 6 HZ1 LYS 6 -2.727 2.532 6.419 64 HZ2 LYS 6 HZ2 LYS 6 -4.107 3.391 5.948 65 HZ3 LYS 6 HZ3 LYS 6 -3.227 2.511 4.802 66 H PHE 7 HN PHE 7 1.988 1.030 6.358 67 HA PHE 7 HA PHE 7 2.468 -0.046 3.752 68 HB2 PHE 7 HB2 PHE 7 2.971 2.321 4.463 69 HB3 PHE 7 HB1 PHE 7 4.327 1.684 5.388 70 HD1 PHE 7 HD1 PHE 7 2.995 1.060 1.956 71 HD2 PHE 7 HD2 PHE 7 6.324 2.148 4.373 72 HE1 PHE 7 HE1 PHE 7 4.411 1.176 -0.053 73 HE2 PHE 7 HE2 PHE 7 7.746 2.267 2.369 74 HZ PHE 7 HZ PHE 7 6.790 1.781 0.152 75 H PHE 8 HN PHE 8 3.877 -0.477 6.943 76 HA PHE 8 HA PHE 8 6.132 -1.973 6.137 77 HB2 PHE 8 HB2 PHE 8 4.639 -1.829 8.755 78 HB3 PHE 8 HB1 PHE 8 6.105 -2.779 8.542 79 HD1 PHE 8 HD1 PHE 8 7.705 -0.987 6.833 80 HD2 PHE 8 HD2 PHE 8 5.258 -0.133 10.208 81 HE1 PHE 8 HE1 PHE 8 9.064 1.008 7.309 82 HE2 PHE 8 HE2 PHE 8 6.611 1.864 10.690 83 HZ PHE 8 HZ PHE 8 8.517 2.437 9.239 84 H ASP 9 HN ASP 9 2.862 -2.900 7.076 85 HA ASP 9 HA ASP 9 3.311 -5.694 7.048 86 HB2 ASP 9 HB2 ASP 9 0.752 -4.121 6.688 87 HB3 ASP 9 HB1 ASP 9 0.830 -5.864 6.933 88 H LYS 10 HN LYS 10 2.136 -3.418 4.620 89 HA LYS 10 HA LYS 10 1.597 -5.360 2.627 90 HB2 LYS 10 HB2 LYS 10 1.489 -2.494 2.878 91 HB3 LYS 10 HB1 LYS 10 2.253 -2.925 1.354 92 HG2 LYS 10 HG2 LYS 10 -0.429 -3.913 2.303 93 HG3 LYS 10 HG1 LYS 10 -0.162 -2.625 1.126 94 HD2 LYS 10 HD2 LYS 10 0.833 -5.451 0.787 95 HD3 LYS 10 HD1 LYS 10 -0.691 -4.857 0.126 96 HE2 LYS 10 HE2 LYS 10 0.505 -4.316 -1.685 97 HE3 LYS 10 HE1 LYS 10 1.097 -2.963 -0.722 98 HZ1 LYS 10 HZ1 LYS 10 3.110 -4.110 -0.382 99 H PHE 11 HN PHE 11 4.458 -3.623 3.608 100 HA PHE 11 HA PHE 11 6.032 -4.133 1.311 101 HB2 PHE 11 HB2 PHE 11 6.357 -2.579 3.498 102 HB3 PHE 11 HB1 PHE 11 7.397 -3.931 3.933 103 HD1 PHE 11 HD2 PHE 11 8.712 -4.741 1.572 104 HD2 PHE 11 HD1 PHE 11 7.586 -0.807 2.742 105 HE1 PHE 11 HE2 PHE 11 10.504 -3.813 0.164 106 HE2 PHE 11 HE1 PHE 11 9.375 0.128 1.336 107 HZ PHE 11 HZ PHE 11 10.838 -1.376 0.045 108 H ILE 12 HN ILE 12 5.525 -5.877 4.337 109 HA ILE 12 HA ILE 12 7.500 -7.874 3.796 110 HB ILE 12 HB ILE 12 5.185 -8.055 5.724 111 HG12 ILE 12 HG12 ILE 12 7.858 -7.365 6.753 112 HG13 ILE 12 HG11 ILE 12 7.107 -6.110 5.773 113 HG21 ILE 12 HG21 ILE 12 7.745 -9.576 5.380 114 HG22 ILE 12 HG22 ILE 12 6.098 -10.191 5.524 115 HG23 ILE 12 HG23 ILE 12 6.915 -9.517 6.935 116 HD11 ILE 12 HD11 ILE 12 5.042 -6.698 7.351 117 HD12 ILE 12 HD12 ILE 12 6.273 -5.508 7.778 118 HD13 ILE 12 HD13 ILE 12 6.362 -7.144 8.432 119 H LEU 13 HN LEU 13 4.139 -7.457 3.017 120 HA LEU 13 HA LEU 13 3.801 -10.243 2.271 121 HB2 LEU 13 HB2 LEU 13 2.064 -7.990 2.822 122 HB3 LEU 13 HB1 LEU 13 1.605 -8.795 1.334 123 HG LEU 13 HG LEU 13 0.349 -9.696 3.202 124 HD11 LEU 13 HD11 LEU 13 1.474 -12.130 3.059 125 HD12 LEU 13 HD12 LEU 13 2.256 -11.354 1.682 126 HD13 LEU 13 HD13 LEU 13 0.496 -11.431 1.768 127 HD21 LEU 13 HD21 LEU 13 2.695 -10.960 4.464 128 HD22 LEU 13 HD22 LEU 13 1.218 -10.323 5.188 129 HD23 LEU 13 HD23 LEU 13 2.517 -9.225 4.723 130 H ASP 14 HN ASP 14 4.062 -7.087 0.728 131 HA ASP 14 HA ASP 14 3.689 -8.086 -1.924 132 HB2 ASP 14 HB2 ASP 14 4.694 -5.464 -0.823 133 HB3 ASP 14 HB1 ASP 14 4.634 -5.794 -2.552 134 H ARG 15 HN ARG 15 6.416 -7.612 0.194 135 HA ARG 15 HA ARG 15 8.398 -7.884 -1.866 136 HB2 ARG 15 HB2 ARG 15 8.839 -6.626 0.209 137 HB3 ARG 15 HB1 ARG 15 8.674 -8.111 1.137 138 HG2 ARG 15 HG2 ARG 15 10.997 -7.642 0.859 139 HG3 ARG 15 HG1 ARG 15 10.594 -9.049 -0.126 140 HD2 ARG 15 HD2 ARG 15 10.349 -6.453 -1.486 141 HD3 ARG 15 HD1 ARG 15 11.988 -6.900 -1.015 142 HE ARG 15 HE ARG 15 10.510 -7.979 -3.160 143 HH11 ARG 15 HH11 ARG 15 12.689 -8.948 -0.612 144 HH12 ARG 15 HH12 ARG 15 13.307 -10.308 -1.487 145 HH21 ARG 15 HH21 ARG 15 11.321 -9.769 -4.312 146 HH22 ARG 15 HH22 ARG 15 12.531 -10.774 -3.588 147 H LYS 16 HN LYS 16 6.722 -10.013 0.341 148 HA LYS 16 HA LYS 16 8.415 -12.240 0.198 149 HB2 LYS 16 HB2 LYS 16 5.797 -11.642 1.209 150 HB3 LYS 16 HB1 LYS 16 5.753 -13.182 0.363 151 HG2 LYS 16 HG2 LYS 16 7.922 -13.644 1.775 152 HG3 LYS 16 HG1 LYS 16 7.226 -12.407 2.824 153 HD2 LYS 16 HD2 LYS 16 5.240 -14.344 1.989 154 HD3 LYS 16 HD1 LYS 16 6.604 -15.119 2.797 155 HE2 LYS 16 HE2 LYS 16 4.778 -14.458 4.342 156 HE3 LYS 16 HE1 LYS 16 6.331 -13.716 4.726 157 HZ1 LYS 16 HZ1 LYS 16 4.151 -12.306 4.665 158 HZ2 LYS 16 HZ2 LYS 16 4.463 -12.252 3.004 159 HZ3 LYS 16 HZ3 LYS 16 5.608 -11.659 4.097 160 H LYS 17 HN LYS 17 5.226 -12.236 -1.328 161 HA LYS 17 HA LYS 17 6.190 -13.983 -3.415 162 HB2 LYS 17 HB2 LYS 17 3.465 -12.793 -2.877 163 HB3 LYS 17 HB1 LYS 17 3.808 -13.915 -4.186 164 HG2 LYS 17 HG2 LYS 17 3.881 -15.701 -2.818 165 HG3 LYS 17 HG1 LYS 17 4.630 -14.797 -1.500 166 HD2 LYS 17 HD2 LYS 17 1.746 -14.461 -2.300 167 HD3 LYS 17 HD1 LYS 17 2.279 -15.614 -1.075 168 HE2 LYS 17 HE2 LYS 17 2.891 -12.668 -0.964 169 HE3 LYS 17 HE1 LYS 17 1.478 -13.395 -0.200 170 HZ1 LYS 17 HZ1 LYS 17 3.769 -13.066 1.061 171 HZ2 LYS 17 HZ2 LYS 17 4.065 -14.596 0.403 172 HZ3 LYS 17 HZ3 LYS 17 2.725 -14.352 1.405 173 HN1 NH2 18 HN1 NH2 18 7.630 -12.666 -4.557 174 HN2 NH2 18 HN2 NH2 18 7.090 -11.392 -5.591 Start of MODEL 13 1 H1 GLU 1 HN GLU 1 -7.082 2.557 8.431 2 HA GLU 1 HA GLU 1 -5.575 1.244 9.539 3 HB2 GLU 1 HB2 GLU 1 -3.746 2.117 7.297 4 HB3 GLU 1 HB1 GLU 1 -3.609 0.648 8.254 5 HG2 GLU 1 HG2 GLU 1 -5.967 1.270 6.497 6 HG3 GLU 1 HG1 GLU 1 -4.560 0.354 5.960 7 H NLE 2 HN NLE 2 -2.954 1.243 10.047 8 HA NLE 2 HA NLE 2 -2.661 3.535 11.795 9 HB2 NLE 2 HB2 NLE 2 -1.628 0.817 11.672 10 HB3 NLE 2 HB1 NLE 2 -0.363 1.983 12.037 11 HG2 NLE 2 HG2 NLE 2 -2.253 2.836 13.733 12 HG3 NLE 2 HG1 NLE 2 -2.677 1.125 13.649 13 HD2 NLE 2 HD2 NLE 2 0.058 2.222 14.309 14 HD3 NLE 2 HD1 NLE 2 -1.103 1.588 15.479 15 HE1 NLE 2 HE1 NLE 2 -0.527 -0.232 13.263 16 HE2 NLE 2 HE2 NLE 2 -0.586 -0.539 14.999 17 HE3 NLE 2 HE3 NLE 2 0.870 0.140 14.273 18 H ARG 3 HN ARG 3 -0.361 4.449 12.006 19 HA ARG 3 HA ARG 3 0.374 5.500 9.417 20 HB2 ARG 3 HB2 ARG 3 0.870 6.212 12.238 21 HB3 ARG 3 HB1 ARG 3 2.172 6.601 11.123 22 HG2 ARG 3 HG2 ARG 3 0.989 8.528 10.983 23 HG3 ARG 3 HG1 ARG 3 0.171 7.611 9.716 24 HD2 ARG 3 HD2 ARG 3 -1.682 7.178 11.056 25 HD3 ARG 3 HD1 ARG 3 -0.802 7.514 12.547 26 HE ARG 3 HE ARG 3 -1.298 9.737 12.302 27 HH11 ARG 3 HH11 ARG 3 -1.939 8.093 9.291 28 HH12 ARG 3 HH12 ARG 3 -2.708 9.463 8.562 29 HH21 ARG 3 HH21 ARG 3 -2.309 11.540 11.345 30 HH22 ARG 3 HH22 ARG 3 -2.918 11.420 9.728 31 H LEU 4 HN LEU 4 2.506 4.487 12.053 32 HA LEU 4 HA LEU 4 4.438 3.505 10.135 33 HB2 LEU 4 HB2 LEU 4 4.676 3.292 13.123 34 HB3 LEU 4 HB1 LEU 4 5.960 3.366 11.931 35 HG LEU 4 HG LEU 4 4.206 5.739 12.044 36 HD11 LEU 4 HD11 LEU 4 5.670 4.732 14.404 37 HD12 LEU 4 HD12 LEU 4 4.257 5.783 14.303 38 HD13 LEU 4 HD13 LEU 4 5.869 6.441 14.018 39 HD21 LEU 4 HD21 LEU 4 6.034 6.791 11.245 40 HD22 LEU 4 HD22 LEU 4 6.527 5.152 10.818 41 HD23 LEU 4 HD23 LEU 4 7.139 5.901 12.293 42 H LYS 5 HN LYS 5 2.485 1.943 9.633 43 HA LYS 5 HA LYS 5 3.318 -0.651 10.567 44 HB2 LYS 5 HB2 LYS 5 1.773 -0.136 12.341 45 HB3 LYS 5 HB1 LYS 5 0.567 0.425 11.199 46 HG2 LYS 5 HG2 LYS 5 -0.140 -1.699 11.935 47 HG3 LYS 5 HG1 LYS 5 0.481 -1.923 10.299 48 HD2 LYS 5 HD2 LYS 5 2.688 -2.561 11.403 49 HD3 LYS 5 HD1 LYS 5 1.774 -2.665 12.909 50 HE2 LYS 5 HE2 LYS 5 1.965 -4.854 11.858 51 HE3 LYS 5 HE1 LYS 5 0.286 -4.319 11.895 52 HZ1 LYS 5 HZ1 LYS 5 0.326 -4.661 9.647 53 H LYS 6 HN LYS 6 0.372 0.715 9.185 54 HA LYS 6 HA LYS 6 -0.259 -1.185 7.351 55 HB2 LYS 6 HB2 LYS 6 -1.681 0.733 7.745 56 HB3 LYS 6 HB1 LYS 6 -0.488 1.809 7.031 57 HG2 LYS 6 HG2 LYS 6 -1.376 -0.365 5.276 58 HG3 LYS 6 HG1 LYS 6 -2.633 0.788 5.727 59 HD2 LYS 6 HD2 LYS 6 -1.486 2.590 4.775 60 HD3 LYS 6 HD1 LYS 6 0.047 1.715 4.747 61 HE2 LYS 6 HE2 LYS 6 -1.240 0.104 3.142 62 HE3 LYS 6 HE1 LYS 6 -2.304 1.493 2.918 63 HZ1 LYS 6 HZ1 LYS 6 -0.685 2.684 1.875 64 HZ2 LYS 6 HZ2 LYS 6 -0.215 1.129 1.406 65 HZ3 LYS 6 HZ3 LYS 6 0.586 1.906 2.677 66 H PHE 7 HN PHE 7 2.182 1.324 6.984 67 HA PHE 7 HA PHE 7 2.724 0.708 4.245 68 HB2 PHE 7 HB2 PHE 7 3.146 2.929 5.488 69 HB3 PHE 7 HB1 PHE 7 4.621 2.161 6.067 70 HD1 PHE 7 HD1 PHE 7 2.804 3.214 3.026 71 HD2 PHE 7 HD2 PHE 7 6.524 1.994 4.696 72 HE1 PHE 7 HE1 PHE 7 3.944 3.847 0.940 73 HE2 PHE 7 HE2 PHE 7 7.671 2.626 2.613 74 HZ PHE 7 HZ PHE 7 6.380 3.554 0.731 75 H PHE 8 HN PHE 8 4.426 0.056 7.291 76 HA PHE 8 HA PHE 8 6.537 -1.398 6.078 77 HB2 PHE 8 HB2 PHE 8 5.546 -1.014 8.866 78 HB3 PHE 8 HB1 PHE 8 6.644 -2.355 8.556 79 HD1 PHE 8 HD2 PHE 8 6.312 1.305 7.953 80 HD2 PHE 8 HD1 PHE 8 8.917 -1.990 8.638 81 HE1 PHE 8 HE2 PHE 8 8.223 2.849 8.083 82 HE2 PHE 8 HE1 PHE 8 10.833 -0.452 8.770 83 HZ PHE 8 HZ PHE 8 10.488 1.971 8.492 84 H ASP 9 HN ASP 9 3.408 -2.293 7.372 85 HA ASP 9 HA ASP 9 3.839 -5.100 7.291 86 HB2 ASP 9 HB2 ASP 9 1.262 -3.519 7.334 87 HB3 ASP 9 HB1 ASP 9 1.392 -5.256 7.605 88 H LYS 10 HN LYS 10 2.668 -2.735 4.979 89 HA LYS 10 HA LYS 10 1.615 -4.630 3.128 90 HB2 LYS 10 HB2 LYS 10 1.591 -1.865 3.358 91 HB3 LYS 10 HB1 LYS 10 2.561 -2.150 1.923 92 HG2 LYS 10 HG2 LYS 10 0.210 -3.807 1.895 93 HG3 LYS 10 HG1 LYS 10 -0.222 -2.111 2.120 94 HD2 LYS 10 HD2 LYS 10 -0.023 -1.903 -0.094 95 HD3 LYS 10 HD1 LYS 10 1.720 -2.033 0.152 96 HE2 LYS 10 HE2 LYS 10 0.075 -4.514 -0.072 97 HE3 LYS 10 HE1 LYS 10 0.489 -3.616 -1.531 98 HZ1 LYS 10 HZ1 LYS 10 2.770 -4.119 0.111 99 H PHE 11 HN PHE 11 4.751 -3.131 3.610 100 HA PHE 11 HA PHE 11 5.906 -3.990 1.167 101 HB2 PHE 11 HB2 PHE 11 6.770 -2.152 2.679 102 HB3 PHE 11 HB1 PHE 11 7.386 -3.417 3.736 103 HD1 PHE 11 HD1 PHE 11 9.248 -4.820 3.046 104 HD2 PHE 11 HD2 PHE 11 7.802 -1.683 0.559 105 HE1 PHE 11 HE1 PHE 11 11.304 -4.944 1.700 106 HE2 PHE 11 HE2 PHE 11 9.855 -1.803 -0.792 107 HZ PHE 11 HZ PHE 11 11.609 -3.435 -0.222 108 H ILE 12 HN ILE 12 5.825 -5.375 4.425 109 HA ILE 12 HA ILE 12 7.560 -7.545 3.843 110 HB ILE 12 HB ILE 12 6.749 -8.544 5.924 111 HG12 ILE 12 HG12 ILE 12 4.840 -6.206 6.074 112 HG13 ILE 12 HG11 ILE 12 4.362 -7.838 5.619 113 HG21 ILE 12 HG21 ILE 12 8.403 -7.137 6.542 114 HG22 ILE 12 HG22 ILE 12 7.075 -6.274 7.319 115 HG23 ILE 12 HG23 ILE 12 7.667 -5.747 5.743 116 HD11 ILE 12 HD11 ILE 12 5.831 -7.694 8.137 117 HD12 ILE 12 HD12 ILE 12 4.335 -8.538 7.736 118 HD13 ILE 12 HD13 ILE 12 4.298 -6.822 8.141 119 H LEU 13 HN LEU 13 4.097 -7.075 3.515 120 HA LEU 13 HA LEU 13 3.653 -9.887 2.956 121 HB2 LEU 13 HB2 LEU 13 1.342 -9.387 2.877 122 HB3 LEU 13 HB1 LEU 13 2.010 -8.469 4.213 123 HG LEU 13 HG LEU 13 2.148 -6.535 2.452 124 HD11 LEU 13 HD11 LEU 13 1.490 -7.296 0.430 125 HD12 LEU 13 HD12 LEU 13 -0.113 -6.929 1.067 126 HD13 LEU 13 HD13 LEU 13 0.498 -8.583 1.114 127 HD21 LEU 13 HD21 LEU 13 -0.324 -7.525 3.844 128 HD22 LEU 13 HD22 LEU 13 -0.266 -5.976 3.003 129 HD23 LEU 13 HD23 LEU 13 0.807 -6.277 4.370 130 H ASP 14 HN ASP 14 3.971 -6.878 1.192 131 HA ASP 14 HA ASP 14 3.040 -7.952 -1.294 132 HB2 ASP 14 HB2 ASP 14 4.363 -5.409 -0.444 133 HB3 ASP 14 HB1 ASP 14 4.362 -5.832 -2.152 134 H ARG 15 HN ARG 15 6.012 -8.024 0.431 135 HA ARG 15 HA ARG 15 7.739 -8.419 -1.802 136 HB2 ARG 15 HB2 ARG 15 8.310 -7.688 0.629 137 HB3 ARG 15 HB1 ARG 15 8.348 -9.415 0.961 138 HG2 ARG 15 HG2 ARG 15 9.911 -8.411 -1.352 139 HG3 ARG 15 HG1 ARG 15 10.513 -8.074 0.272 140 HD2 ARG 15 HD2 ARG 15 10.448 -10.457 0.797 141 HD3 ARG 15 HD1 ARG 15 9.818 -10.802 -0.813 142 HE ARG 15 HE ARG 15 12.538 -10.355 -0.102 143 HH11 ARG 15 HH11 ARG 15 10.220 -9.895 -2.670 144 HH12 ARG 15 HH12 ARG 15 11.418 -9.896 -3.920 145 HH21 ARG 15 HH21 ARG 15 14.115 -10.355 -1.744 146 HH22 ARG 15 HH22 ARG 15 13.629 -10.158 -3.395 147 H LYS 16 HN LYS 16 5.843 -10.528 0.265 148 HA LYS 16 HA LYS 16 7.063 -12.965 -0.436 149 HB2 LYS 16 HB2 LYS 16 5.253 -14.033 0.601 150 HB3 LYS 16 HB1 LYS 16 5.382 -12.497 1.445 151 HG2 LYS 16 HG2 LYS 16 3.621 -11.792 -0.434 152 HG3 LYS 16 HG1 LYS 16 3.256 -13.516 -0.336 153 HD2 LYS 16 HD2 LYS 16 3.058 -13.239 2.148 154 HD3 LYS 16 HD1 LYS 16 3.192 -11.498 1.901 155 HE2 LYS 16 HE2 LYS 16 1.021 -13.354 0.966 156 HE3 LYS 16 HE1 LYS 16 0.880 -11.963 2.040 157 HZ1 LYS 16 HZ1 LYS 16 1.073 -12.051 -0.873 158 HZ2 LYS 16 HZ2 LYS 16 1.811 -10.747 -0.090 159 HZ3 LYS 16 HZ3 LYS 16 0.157 -11.032 0.120 160 H LYS 17 HN LYS 17 4.604 -11.031 -2.008 161 HA LYS 17 HA LYS 17 3.682 -12.953 -3.845 162 HB2 LYS 17 HB2 LYS 17 2.508 -10.838 -3.388 163 HB3 LYS 17 HB1 LYS 17 3.816 -9.948 -4.155 164 HG2 LYS 17 HG2 LYS 17 2.197 -10.053 -5.806 165 HG3 LYS 17 HG1 LYS 17 3.290 -11.373 -6.229 166 HD2 LYS 17 HD2 LYS 17 1.054 -12.044 -4.416 167 HD3 LYS 17 HD1 LYS 17 0.624 -11.654 -6.082 168 HE2 LYS 17 HE2 LYS 17 1.609 -13.515 -6.915 169 HE3 LYS 17 HE1 LYS 17 2.902 -13.496 -5.717 170 HZ1 LYS 17 HZ1 LYS 17 1.775 -15.255 -4.921 171 HZ2 LYS 17 HZ2 LYS 17 0.307 -14.795 -5.624 172 HZ3 LYS 17 HZ3 LYS 17 0.814 -14.076 -4.179 173 HN1 NH2 18 HN1 NH2 18 5.756 -10.171 -4.612 174 HN2 NH2 18 HN2 NH2 18 6.704 -10.982 -5.806 Start of MODEL 14 1 H1 GLU 1 HN GLU 1 -5.137 6.873 13.214 2 HA GLU 1 HA GLU 1 -3.796 7.252 11.294 3 HB2 GLU 1 HB2 GLU 1 -2.087 8.371 13.379 4 HB3 GLU 1 HB1 GLU 1 -1.179 7.453 12.186 5 HG2 GLU 1 HG2 GLU 1 -1.321 9.831 11.630 6 HG3 GLU 1 HG1 GLU 1 -2.070 8.811 10.402 7 H NLE 2 HN NLE 2 -4.024 5.181 10.649 8 HA NLE 2 HA NLE 2 -2.522 3.076 12.009 9 HB2 NLE 2 HB2 NLE 2 -3.819 1.581 10.409 10 HB3 NLE 2 HB1 NLE 2 -4.763 2.441 11.618 11 HG2 NLE 2 HG2 NLE 2 -4.444 3.854 9.066 12 HG3 NLE 2 HG1 NLE 2 -5.357 2.346 8.981 13 HD2 NLE 2 HD2 NLE 2 -5.922 4.582 10.930 14 HD3 NLE 2 HD1 NLE 2 -6.778 4.343 9.403 15 HE1 NLE 2 HE1 NLE 2 -8.193 3.266 10.841 16 HE2 NLE 2 HE2 NLE 2 -6.892 2.764 11.920 17 HE3 NLE 2 HE3 NLE 2 -7.141 1.925 10.389 18 H ARG 3 HN ARG 3 -0.951 4.920 10.626 19 HA ARG 3 HA ARG 3 -0.235 3.678 8.090 20 HB2 ARG 3 HB2 ARG 3 -0.337 6.126 8.219 21 HB3 ARG 3 HB1 ARG 3 0.893 6.116 9.475 22 HG2 ARG 3 HG2 ARG 3 2.535 5.274 7.935 23 HG3 ARG 3 HG1 ARG 3 1.312 5.094 6.675 24 HD2 ARG 3 HD2 ARG 3 2.724 7.124 6.423 25 HD3 ARG 3 HD1 ARG 3 1.000 7.466 6.551 26 HE ARG 3 HE ARG 3 2.168 7.597 9.106 27 HH11 ARG 3 HH11 ARG 3 2.104 9.344 6.086 28 HH12 ARG 3 HH12 ARG 3 2.416 10.879 6.824 29 HH21 ARG 3 HH21 ARG 3 2.577 9.615 10.078 30 HH22 ARG 3 HH22 ARG 3 2.685 11.034 9.090 31 H LEU 4 HN LEU 4 0.658 3.465 11.359 32 HA LEU 4 HA LEU 4 3.390 2.635 10.791 33 HB2 LEU 4 HB2 LEU 4 2.230 3.901 12.933 34 HB3 LEU 4 HB1 LEU 4 2.383 2.256 13.518 35 HG LEU 4 HG LEU 4 4.698 3.787 12.345 36 HD11 LEU 4 HD11 LEU 4 4.548 3.401 15.260 37 HD12 LEU 4 HD12 LEU 4 3.445 4.600 14.584 38 HD13 LEU 4 HD13 LEU 4 5.182 4.752 14.320 39 HD21 LEU 4 HD21 LEU 4 4.954 1.587 14.324 40 HD22 LEU 4 HD22 LEU 4 6.020 2.048 12.997 41 HD23 LEU 4 HD23 LEU 4 4.530 1.165 12.665 42 H LYS 5 HN LYS 5 1.680 0.973 9.515 43 HA LYS 5 HA LYS 5 2.445 -1.559 10.362 44 HB2 LYS 5 HB2 LYS 5 0.481 -0.702 12.036 45 HB3 LYS 5 HB1 LYS 5 -0.471 -1.511 10.798 46 HG2 LYS 5 HG2 LYS 5 1.714 -2.702 12.488 47 HG3 LYS 5 HG1 LYS 5 -0.010 -3.077 12.535 48 HD2 LYS 5 HD2 LYS 5 1.759 -3.540 10.136 49 HD3 LYS 5 HD1 LYS 5 1.381 -4.774 11.340 50 HE2 LYS 5 HE2 LYS 5 -0.652 -5.140 10.480 51 HE3 LYS 5 HE1 LYS 5 -0.984 -3.417 10.309 52 HZ1 LYS 5 HZ1 LYS 5 -0.649 -3.776 8.090 53 H LYS 6 HN LYS 6 -0.325 0.110 8.915 54 HA LYS 6 HA LYS 6 -1.013 -1.825 7.035 55 HB2 LYS 6 HB2 LYS 6 -1.424 1.115 7.266 56 HB3 LYS 6 HB1 LYS 6 -1.750 0.363 5.711 57 HG2 LYS 6 HG2 LYS 6 -2.930 -1.058 7.974 58 HG3 LYS 6 HG1 LYS 6 -3.528 0.589 7.767 59 HD2 LYS 6 HD2 LYS 6 -4.912 -0.975 6.525 60 HD3 LYS 6 HD1 LYS 6 -4.045 0.089 5.416 61 HE2 LYS 6 HE2 LYS 6 -2.810 -1.596 4.557 62 HE3 LYS 6 HE1 LYS 6 -2.676 -2.427 6.107 63 HZ1 LYS 6 HZ1 LYS 6 -5.169 -2.387 4.502 64 HZ2 LYS 6 HZ2 LYS 6 -4.814 -3.366 5.835 65 HZ3 LYS 6 HZ3 LYS 6 -4.004 -3.607 4.370 66 H PHE 7 HN PHE 7 1.301 0.831 6.818 67 HA PHE 7 HA PHE 7 1.989 0.317 4.094 68 HB2 PHE 7 HB2 PHE 7 2.432 2.391 5.879 69 HB3 PHE 7 HB1 PHE 7 4.035 1.699 5.653 70 HD1 PHE 7 HD1 PHE 7 1.078 2.790 3.662 71 HD2 PHE 7 HD2 PHE 7 5.313 2.433 3.889 72 HE1 PHE 7 HE1 PHE 7 1.290 3.992 1.526 73 HE2 PHE 7 HE2 PHE 7 5.533 3.636 1.754 74 HZ PHE 7 HZ PHE 7 3.520 4.417 0.569 75 H PHE 8 HN PHE 8 3.259 -0.659 7.217 76 HA PHE 8 HA PHE 8 5.647 -1.840 6.205 77 HB2 PHE 8 HB2 PHE 8 4.299 -1.603 8.798 78 HB3 PHE 8 HB1 PHE 8 5.159 -3.125 8.592 79 HD1 PHE 8 HD1 PHE 8 5.559 0.552 8.477 80 HD2 PHE 8 HD2 PHE 8 7.491 -3.228 8.772 81 HE1 PHE 8 HE1 PHE 8 7.677 1.681 9.020 82 HE2 PHE 8 HE2 PHE 8 9.612 -2.106 9.316 83 HZ PHE 8 HZ PHE 8 9.707 0.352 9.441 84 H ASP 9 HN ASP 9 2.388 -2.978 6.821 85 HA ASP 9 HA ASP 9 2.951 -5.746 6.505 86 HB2 ASP 9 HB2 ASP 9 0.365 -4.200 6.243 87 HB3 ASP 9 HB1 ASP 9 0.474 -5.957 6.221 88 H LYS 10 HN LYS 10 1.994 -3.170 4.316 89 HA LYS 10 HA LYS 10 1.504 -4.845 2.072 90 HB2 LYS 10 HB2 LYS 10 0.519 -2.666 2.086 91 HB3 LYS 10 HB1 LYS 10 2.077 -1.893 2.334 92 HG2 LYS 10 HG2 LYS 10 1.245 -1.624 0.043 93 HG3 LYS 10 HG1 LYS 10 2.777 -2.498 0.101 94 HD2 LYS 10 HD2 LYS 10 1.205 -4.604 0.155 95 HD3 LYS 10 HD1 LYS 10 0.043 -3.489 -0.567 96 HE2 LYS 10 HE2 LYS 10 1.108 -4.509 -2.390 97 HE3 LYS 10 HE1 LYS 10 1.877 -2.929 -2.245 98 HZ1 LYS 10 HZ1 LYS 10 3.648 -4.245 -0.942 99 H PHE 11 HN PHE 11 4.334 -3.246 3.374 100 HA PHE 11 HA PHE 11 6.007 -3.602 1.111 101 HB2 PHE 11 HB2 PHE 11 6.356 -2.800 3.939 102 HB3 PHE 11 HB1 PHE 11 7.777 -3.484 3.155 103 HD1 PHE 11 HD1 PHE 11 5.091 -1.329 1.750 104 HD2 PHE 11 HD2 PHE 11 9.199 -1.696 2.798 105 HE1 PHE 11 HE1 PHE 11 5.551 0.846 0.695 106 HE2 PHE 11 HE2 PHE 11 9.666 0.478 1.746 107 HZ PHE 11 HZ PHE 11 7.841 1.753 0.693 108 H ILE 12 HN ILE 12 5.439 -5.507 4.040 109 HA ILE 12 HA ILE 12 7.403 -7.485 3.400 110 HB ILE 12 HB ILE 12 6.711 -7.061 5.719 111 HG12 ILE 12 HG12 ILE 12 5.935 -9.876 4.950 112 HG13 ILE 12 HG11 ILE 12 7.600 -9.306 4.906 113 HG21 ILE 12 HG21 ILE 12 4.360 -6.589 5.346 114 HG22 ILE 12 HG22 ILE 12 4.545 -7.883 6.529 115 HG23 ILE 12 HG23 ILE 12 4.079 -8.264 4.871 116 HD11 ILE 12 HD11 ILE 12 5.903 -10.017 7.191 117 HD12 ILE 12 HD12 ILE 12 6.909 -8.584 7.406 118 HD13 ILE 12 HD13 ILE 12 7.651 -10.129 6.988 119 H LEU 13 HN LEU 13 4.008 -7.048 2.722 120 HA LEU 13 HA LEU 13 3.467 -9.737 1.967 121 HB2 LEU 13 HB2 LEU 13 1.848 -7.779 2.579 122 HB3 LEU 13 HB1 LEU 13 1.951 -7.405 0.869 123 HG LEU 13 HG LEU 13 -0.011 -8.724 1.226 124 HD11 LEU 13 HD11 LEU 13 1.493 -9.199 -0.761 125 HD12 LEU 13 HD12 LEU 13 0.320 -10.447 -0.339 126 HD13 LEU 13 HD13 LEU 13 2.014 -10.641 0.111 127 HD21 LEU 13 HD21 LEU 13 0.107 -9.911 3.153 128 HD22 LEU 13 HD22 LEU 13 1.806 -10.324 2.926 129 HD23 LEU 13 HD23 LEU 13 0.559 -11.201 2.039 130 H ASP 14 HN ASP 14 4.246 -6.807 0.145 131 HA ASP 14 HA ASP 14 4.149 -8.062 -2.404 132 HB2 ASP 14 HB2 ASP 14 5.319 -5.459 -1.432 133 HB3 ASP 14 HB1 ASP 14 5.447 -5.973 -3.112 134 H ARG 15 HN ARG 15 6.627 -7.652 0.017 135 HA ARG 15 HA ARG 15 8.751 -8.503 -1.762 136 HB2 ARG 15 HB2 ARG 15 8.777 -6.900 0.395 137 HB3 ARG 15 HB1 ARG 15 9.191 -8.423 1.170 138 HG2 ARG 15 HG2 ARG 15 11.245 -8.473 0.268 139 HG3 ARG 15 HG1 ARG 15 10.694 -7.831 -1.281 140 HD2 ARG 15 HD2 ARG 15 11.021 -5.668 -0.657 141 HD3 ARG 15 HD1 ARG 15 10.656 -5.988 1.037 142 HE ARG 15 HE ARG 15 13.123 -7.162 0.145 143 HH11 ARG 15 HH11 ARG 15 11.625 -4.282 1.426 144 HH12 ARG 15 HH12 ARG 15 13.095 -3.667 2.103 145 HH21 ARG 15 HH21 ARG 15 15.058 -6.354 1.035 146 HH22 ARG 15 HH22 ARG 15 15.045 -4.843 1.880 147 H LYS 16 HN LYS 16 6.467 -9.969 0.325 148 HA LYS 16 HA LYS 16 7.801 -12.207 1.267 149 HB2 LYS 16 HB2 LYS 16 5.417 -11.452 1.761 150 HB3 LYS 16 HB1 LYS 16 4.958 -12.264 0.272 151 HG2 LYS 16 HG2 LYS 16 6.511 -13.795 2.289 152 HG3 LYS 16 HG1 LYS 16 4.806 -13.468 2.604 153 HD2 LYS 16 HD2 LYS 16 5.904 -14.788 0.123 154 HD3 LYS 16 HD1 LYS 16 5.147 -15.628 1.477 155 HE2 LYS 16 HE2 LYS 16 3.897 -13.748 -0.501 156 HE3 LYS 16 HE1 LYS 16 3.451 -15.413 -0.133 157 HZ1 LYS 16 HZ1 LYS 16 3.044 -14.359 2.228 158 HZ2 LYS 16 HZ2 LYS 16 1.855 -14.318 1.026 159 HZ3 LYS 16 HZ3 LYS 16 2.814 -12.954 1.314 160 H LYS 17 HN LYS 17 6.399 -11.606 -1.902 161 HA LYS 17 HA LYS 17 7.130 -14.285 -2.801 162 HB2 LYS 17 HB2 LYS 17 6.017 -13.568 -4.935 163 HB3 LYS 17 HB1 LYS 17 4.967 -13.578 -3.525 164 HG2 LYS 17 HG2 LYS 17 4.556 -11.394 -3.681 165 HG3 LYS 17 HG1 LYS 17 6.255 -11.005 -3.955 166 HD2 LYS 17 HD2 LYS 17 5.474 -10.410 -5.997 167 HD3 LYS 17 HD1 LYS 17 5.676 -12.134 -6.317 168 HE2 LYS 17 HE2 LYS 17 3.145 -10.673 -5.592 169 HE3 LYS 17 HE1 LYS 17 3.514 -11.511 -7.098 170 HZ1 LYS 17 HZ1 LYS 17 2.780 -12.624 -4.484 171 HZ2 LYS 17 HZ2 LYS 17 3.778 -13.537 -5.500 172 HZ3 LYS 17 HZ3 LYS 17 2.244 -13.060 -6.029 173 HN1 NH2 18 HN1 NH2 18 8.533 -14.663 -4.530 174 HN2 NH2 18 HN2 NH2 18 9.725 -13.511 -5.018 Start of MODEL 15 1 H1 GLU 1 HN GLU 1 -5.256 0.182 11.472 2 HA GLU 1 HA GLU 1 -5.534 1.791 9.787 3 HB2 GLU 1 HB2 GLU 1 -7.859 2.221 11.027 4 HB3 GLU 1 HB1 GLU 1 -7.009 3.660 11.573 5 HG2 GLU 1 HG2 GLU 1 -6.951 4.587 9.501 6 HG3 GLU 1 HG1 GLU 1 -6.909 3.027 8.682 7 H NLE 2 HN NLE 2 -3.353 1.468 11.347 8 HA NLE 2 HA NLE 2 -2.601 4.050 12.459 9 HB2 NLE 2 HB2 NLE 2 -1.828 1.345 12.907 10 HB3 NLE 2 HB1 NLE 2 -0.400 2.235 12.395 11 HG2 NLE 2 HG2 NLE 2 -0.275 2.609 14.625 12 HG3 NLE 2 HG1 NLE 2 -1.302 3.973 14.179 13 HD2 NLE 2 HD2 NLE 2 -2.641 3.176 15.813 14 HD3 NLE 2 HD1 NLE 2 -3.163 2.039 14.566 15 HE1 NLE 2 HE1 NLE 2 -2.252 1.309 17.000 16 HE2 NLE 2 HE2 NLE 2 -0.756 1.258 16.067 17 HE3 NLE 2 HE3 NLE 2 -2.144 0.294 15.563 18 H ARG 3 HN ARG 3 -1.313 5.502 11.491 19 HA ARG 3 HA ARG 3 -0.759 5.268 8.716 20 HB2 ARG 3 HB2 ARG 3 0.130 7.290 10.775 21 HB3 ARG 3 HB1 ARG 3 0.471 7.435 9.057 22 HG2 ARG 3 HG2 ARG 3 -2.347 7.069 9.948 23 HG3 ARG 3 HG1 ARG 3 -1.580 8.650 10.119 24 HD2 ARG 3 HD2 ARG 3 -2.660 8.679 8.021 25 HD3 ARG 3 HD1 ARG 3 -0.945 8.458 7.678 26 HE ARG 3 HE ARG 3 -2.410 5.994 7.871 27 HH11 ARG 3 HH11 ARG 3 -1.455 8.594 5.749 28 HH12 ARG 3 HH12 ARG 3 -1.625 7.648 4.308 29 HH21 ARG 3 HH21 ARG 3 -2.636 4.748 5.977 30 HH22 ARG 3 HH22 ARG 3 -2.297 5.465 4.437 31 H LEU 4 HN LEU 4 1.098 4.711 11.618 32 HA LEU 4 HA LEU 4 3.576 4.410 10.115 33 HB2 LEU 4 HB2 LEU 4 4.649 4.132 12.261 34 HB3 LEU 4 HB1 LEU 4 3.617 5.549 12.292 35 HG LEU 4 HG LEU 4 2.452 3.004 13.288 36 HD11 LEU 4 HD11 LEU 4 4.070 4.595 15.205 37 HD12 LEU 4 HD12 LEU 4 4.900 3.428 14.176 38 HD13 LEU 4 HD13 LEU 4 3.608 2.894 15.251 39 HD21 LEU 4 HD21 LEU 4 0.901 4.609 13.604 40 HD22 LEU 4 HD22 LEU 4 2.092 5.910 13.613 41 HD23 LEU 4 HD23 LEU 4 1.838 4.937 15.062 42 H LYS 5 HN LYS 5 1.858 2.604 9.177 43 HA LYS 5 HA LYS 5 3.074 0.102 9.981 44 HB2 LYS 5 HB2 LYS 5 0.611 0.779 11.077 45 HB3 LYS 5 HB1 LYS 5 0.201 -0.291 9.744 46 HG2 LYS 5 HG2 LYS 5 2.095 -0.911 12.002 47 HG3 LYS 5 HG1 LYS 5 0.458 -1.539 11.803 48 HD2 LYS 5 HD2 LYS 5 2.352 -1.941 9.557 49 HD3 LYS 5 HD1 LYS 5 2.620 -2.889 11.020 50 HE2 LYS 5 HE2 LYS 5 0.807 -4.169 10.669 51 HE3 LYS 5 HE1 LYS 5 -0.170 -2.805 10.126 52 HZ1 LYS 5 HZ1 LYS 5 1.337 -4.628 8.485 53 H LYS 6 HN LYS 6 0.847 1.825 7.866 54 HA LYS 6 HA LYS 6 0.293 0.034 5.901 55 HB2 LYS 6 HB2 LYS 6 0.473 2.016 4.296 56 HB3 LYS 6 HB1 LYS 6 -0.620 2.186 5.663 57 HG2 LYS 6 HG2 LYS 6 0.701 3.740 6.705 58 HG3 LYS 6 HG1 LYS 6 2.180 3.157 5.939 59 HD2 LYS 6 HD2 LYS 6 1.806 4.340 4.006 60 HD3 LYS 6 HD1 LYS 6 0.055 4.348 4.223 61 HE2 LYS 6 HE2 LYS 6 0.380 6.490 4.826 62 HE3 LYS 6 HE1 LYS 6 0.837 5.787 6.377 63 HZ1 LYS 6 HZ1 LYS 6 2.385 7.458 5.019 64 HZ2 LYS 6 HZ2 LYS 6 2.953 5.992 4.395 65 HZ3 LYS 6 HZ3 LYS 6 2.999 6.275 6.062 66 H PHE 7 HN PHE 7 3.381 1.538 6.544 67 HA PHE 7 HA PHE 7 4.593 0.686 4.086 68 HB2 PHE 7 HB2 PHE 7 5.486 2.081 6.550 69 HB3 PHE 7 HB1 PHE 7 6.720 1.213 5.643 70 HD1 PHE 7 HD1 PHE 7 5.968 1.621 2.886 71 HD2 PHE 7 HD2 PHE 7 5.788 4.328 6.164 72 HE1 PHE 7 HE1 PHE 7 6.157 3.515 1.327 73 HE2 PHE 7 HE2 PHE 7 5.975 6.228 4.612 74 HZ PHE 7 HZ PHE 7 6.160 5.822 2.189 75 H PHE 8 HN PHE 8 4.538 -0.453 7.421 76 HA PHE 8 HA PHE 8 6.381 -2.578 7.037 77 HB2 PHE 8 HB2 PHE 8 5.286 -1.432 9.229 78 HB3 PHE 8 HB1 PHE 8 4.296 -2.883 9.119 79 HD1 PHE 8 HD1 PHE 8 6.462 -4.697 7.967 80 HD2 PHE 8 HD2 PHE 8 6.449 -1.945 11.214 81 HE1 PHE 8 HE1 PHE 8 8.242 -5.991 9.066 82 HE2 PHE 8 HE2 PHE 8 8.231 -3.233 12.318 83 HZ PHE 8 HZ PHE 8 9.130 -5.259 11.244 84 H ASP 9 HN ASP 9 2.867 -2.339 6.940 85 HA ASP 9 HA ASP 9 2.346 -5.088 6.572 86 HB2 ASP 9 HB2 ASP 9 0.597 -2.898 5.471 87 HB3 ASP 9 HB1 ASP 9 0.118 -4.470 6.103 88 H LYS 10 HN LYS 10 3.045 -2.463 4.343 89 HA LYS 10 HA LYS 10 2.442 -3.922 1.973 90 HB2 LYS 10 HB2 LYS 10 2.486 -1.475 1.999 91 HB3 LYS 10 HB1 LYS 10 4.202 -1.496 2.381 92 HG2 LYS 10 HG2 LYS 10 3.967 -1.016 0.063 93 HG3 LYS 10 HG1 LYS 10 4.602 -2.656 0.214 94 HD2 LYS 10 HD2 LYS 10 1.955 -3.170 0.176 95 HD3 LYS 10 HD1 LYS 10 2.002 -1.711 -0.815 96 HE2 LYS 10 HE2 LYS 10 2.209 -3.840 -2.102 97 HE3 LYS 10 HE1 LYS 10 3.542 -2.711 -2.341 98 HZ1 LYS 10 HZ1 LYS 10 3.731 -5.029 -0.528 99 H PHE 11 HN PHE 11 5.269 -3.575 3.994 100 HA PHE 11 HA PHE 11 7.166 -4.622 2.172 101 HB2 PHE 11 HB2 PHE 11 7.806 -3.329 4.168 102 HB3 PHE 11 HB1 PHE 11 7.213 -4.628 5.197 103 HD1 PHE 11 HD1 PHE 11 8.327 -6.903 5.003 104 HD2 PHE 11 HD2 PHE 11 9.991 -3.345 3.365 105 HE1 PHE 11 HE1 PHE 11 10.538 -7.980 4.920 106 HE2 PHE 11 HE2 PHE 11 12.205 -4.416 3.278 107 HZ PHE 11 HZ PHE 11 12.480 -6.737 4.056 108 H ILE 12 HN ILE 12 5.087 -6.097 4.616 109 HA ILE 12 HA ILE 12 6.200 -8.717 4.309 110 HB ILE 12 HB ILE 12 3.518 -7.977 5.481 111 HG12 ILE 12 HG12 ILE 12 5.384 -6.736 6.544 112 HG13 ILE 12 HG11 ILE 12 4.631 -7.888 7.642 113 HG21 ILE 12 HG21 ILE 12 5.200 -10.444 5.492 114 HG22 ILE 12 HG22 ILE 12 3.463 -10.270 5.237 115 HG23 ILE 12 HG23 ILE 12 4.139 -10.099 6.857 116 HD11 ILE 12 HD11 ILE 12 6.909 -8.961 6.160 117 HD12 ILE 12 HD12 ILE 12 6.512 -9.067 7.875 118 HD13 ILE 12 HD13 ILE 12 7.301 -7.623 7.240 119 H LEU 13 HN LEU 13 3.647 -6.906 2.780 120 HA LEU 13 HA LEU 13 2.504 -9.238 1.498 121 HB2 LEU 13 HB2 LEU 13 1.114 -7.312 2.215 122 HB3 LEU 13 HB1 LEU 13 1.935 -6.312 1.032 123 HG LEU 13 HG LEU 13 0.631 -8.784 0.031 124 HD11 LEU 13 HD11 LEU 13 -1.255 -8.248 1.168 125 HD12 LEU 13 HD12 LEU 13 -1.450 -7.135 -0.186 126 HD13 LEU 13 HD13 LEU 13 -0.801 -6.554 1.348 127 HD21 LEU 13 HD21 LEU 13 0.256 -6.138 -1.215 128 HD22 LEU 13 HD22 LEU 13 0.651 -7.695 -1.945 129 HD23 LEU 13 HD23 LEU 13 1.912 -6.743 -1.161 130 H ASP 14 HN ASP 14 4.640 -6.575 0.689 131 HA ASP 14 HA ASP 14 4.677 -7.037 -2.115 132 HB2 ASP 14 HB2 ASP 14 6.327 -5.448 -0.197 133 HB3 ASP 14 HB1 ASP 14 6.968 -5.747 -1.810 134 H ARG 15 HN ARG 15 6.561 -8.244 0.588 135 HA ARG 15 HA ARG 15 8.446 -9.613 -1.131 136 HB2 ARG 15 HB2 ARG 15 8.187 -9.053 1.744 137 HB3 ARG 15 HB1 ARG 15 8.872 -10.629 1.374 138 HG2 ARG 15 HG2 ARG 15 9.902 -8.013 0.296 139 HG3 ARG 15 HG1 ARG 15 10.574 -8.875 1.681 140 HD2 ARG 15 HD2 ARG 15 10.482 -9.779 -1.189 141 HD3 ARG 15 HD1 ARG 15 11.908 -9.417 -0.218 142 HE ARG 15 HE ARG 15 10.401 -11.864 -0.244 143 HH11 ARG 15 HH11 ARG 15 12.558 -9.853 1.622 144 HH12 ARG 15 HH12 ARG 15 13.145 -11.163 2.589 145 HH21 ARG 15 HH21 ARG 15 11.171 -13.589 1.028 146 HH22 ARG 15 HH22 ARG 15 12.358 -13.285 2.252 147 H LYS 16 HN LYS 16 5.415 -10.280 0.339 148 HA LYS 16 HA LYS 16 5.503 -13.006 0.794 149 HB2 LYS 16 HB2 LYS 16 3.379 -11.053 0.120 150 HB3 LYS 16 HB1 LYS 16 2.985 -12.748 -0.130 151 HG2 LYS 16 HG2 LYS 16 4.253 -12.355 2.428 152 HG3 LYS 16 HG1 LYS 16 2.840 -11.313 2.249 153 HD2 LYS 16 HD2 LYS 16 2.741 -14.238 1.572 154 HD3 LYS 16 HD1 LYS 16 2.481 -13.659 3.218 155 HE2 LYS 16 HE2 LYS 16 0.440 -12.844 2.742 156 HE3 LYS 16 HE1 LYS 16 0.943 -12.236 1.165 157 HZ1 LYS 16 HZ1 LYS 16 0.735 -15.130 1.463 158 HZ2 LYS 16 HZ2 LYS 16 0.356 -14.148 0.139 159 HZ3 LYS 16 HZ3 LYS 16 -0.717 -14.261 1.442 160 H LYS 17 HN LYS 17 5.301 -11.272 -2.236 161 HA LYS 17 HA LYS 17 4.732 -13.667 -3.762 162 HB2 LYS 17 HB2 LYS 17 4.807 -12.211 -5.713 163 HB3 LYS 17 HB1 LYS 17 3.797 -11.502 -4.461 164 HG2 LYS 17 HG2 LYS 17 5.495 -9.932 -3.877 165 HG3 LYS 17 HG1 LYS 17 6.670 -10.737 -4.919 166 HD2 LYS 17 HD2 LYS 17 5.032 -10.227 -6.828 167 HD3 LYS 17 HD1 LYS 17 4.275 -9.102 -5.698 168 HE2 LYS 17 HE2 LYS 17 7.222 -9.028 -6.264 169 HE3 LYS 17 HE1 LYS 17 6.063 -8.186 -7.291 170 HZ1 LYS 17 HZ1 LYS 17 7.092 -6.851 -5.441 171 HZ2 LYS 17 HZ2 LYS 17 6.177 -7.777 -4.361 172 HZ3 LYS 17 HZ3 LYS 17 5.401 -6.818 -5.518 173 HN1 NH2 18 HN1 NH2 18 7.473 -11.607 -3.043 174 HN2 NH2 18 HN2 NH2 18 8.667 -12.596 -3.805 Start of MODEL 16 1 H1 GLU 1 HN GLU 1 -6.613 1.493 10.831 2 HA GLU 1 HA GLU 1 -4.906 2.757 9.338 3 HB2 GLU 1 HB2 GLU 1 -7.316 3.484 10.063 4 HB3 GLU 1 HB1 GLU 1 -6.460 4.599 11.119 5 HG2 GLU 1 HG2 GLU 1 -6.706 5.936 9.311 6 HG3 GLU 1 HG1 GLU 1 -5.181 5.166 8.875 7 H NLE 2 HN NLE 2 -3.108 1.912 11.109 8 HA NLE 2 HA NLE 2 -2.203 4.157 12.728 9 HB2 NLE 2 HB2 NLE 2 -2.151 1.657 13.413 10 HB3 NLE 2 HB1 NLE 2 -0.723 1.564 12.391 11 HG2 NLE 2 HG2 NLE 2 -0.396 3.812 14.065 12 HG3 NLE 2 HG1 NLE 2 -0.952 2.479 15.079 13 HD2 NLE 2 HD2 NLE 2 1.126 1.758 13.130 14 HD3 NLE 2 HD1 NLE 2 1.640 2.904 14.373 15 HE1 NLE 2 HE1 NLE 2 1.809 0.306 14.754 16 HE2 NLE 2 HE2 NLE 2 0.112 0.488 15.200 17 HE3 NLE 2 HE3 NLE 2 1.354 1.390 16.068 18 H ARG 3 HN ARG 3 -0.123 5.096 12.510 19 HA ARG 3 HA ARG 3 0.616 5.743 9.890 20 HB2 ARG 3 HB2 ARG 3 1.096 7.145 11.875 21 HB3 ARG 3 HB1 ARG 3 2.297 5.970 12.392 22 HG2 ARG 3 HG2 ARG 3 3.718 6.471 10.586 23 HG3 ARG 3 HG1 ARG 3 2.450 7.352 9.732 24 HD2 ARG 3 HD2 ARG 3 3.841 9.013 10.634 25 HD3 ARG 3 HD1 ARG 3 2.448 8.949 11.713 26 HE ARG 3 HE ARG 3 3.824 8.228 13.396 27 HH11 ARG 3 HH11 ARG 3 5.502 7.927 10.351 28 HH12 ARG 3 HH12 ARG 3 7.022 7.539 11.084 29 HH21 ARG 3 HH21 ARG 3 5.823 7.717 14.362 30 HH22 ARG 3 HH22 ARG 3 7.205 7.419 13.361 31 H LEU 4 HN LEU 4 1.841 3.318 12.114 32 HA LEU 4 HA LEU 4 3.865 2.485 10.174 33 HB2 LEU 4 HB2 LEU 4 4.529 2.736 12.529 34 HB3 LEU 4 HB1 LEU 4 3.342 1.532 12.991 35 HG LEU 4 HG LEU 4 4.874 0.225 11.086 36 HD11 LEU 4 HD11 LEU 4 7.172 0.622 12.369 37 HD12 LEU 4 HD12 LEU 4 6.495 2.243 12.522 38 HD13 LEU 4 HD13 LEU 4 6.721 1.529 10.925 39 HD21 LEU 4 HD21 LEU 4 5.192 -1.273 12.753 40 HD22 LEU 4 HD22 LEU 4 3.971 -0.283 13.553 41 HD23 LEU 4 HD23 LEU 4 5.679 -0.042 13.917 42 H LYS 5 HN LYS 5 1.461 2.021 9.124 43 HA LYS 5 HA LYS 5 1.137 -0.890 9.395 44 HB2 LYS 5 HB2 LYS 5 -0.772 0.260 10.433 45 HB3 LYS 5 HB1 LYS 5 -1.067 1.124 8.933 46 HG2 LYS 5 HG2 LYS 5 -2.621 -0.696 9.131 47 HG3 LYS 5 HG1 LYS 5 -1.501 -1.024 7.809 48 HD2 LYS 5 HD2 LYS 5 -0.201 -2.204 9.867 49 HD3 LYS 5 HD1 LYS 5 -1.876 -2.427 10.372 50 HE2 LYS 5 HE2 LYS 5 -0.999 -4.311 9.026 51 HE3 LYS 5 HE1 LYS 5 -2.407 -3.534 8.305 52 HZ1 LYS 5 HZ1 LYS 5 -0.057 -2.378 7.268 53 H LYS 6 HN LYS 6 -0.035 1.705 7.290 54 HA LYS 6 HA LYS 6 -0.372 0.402 4.950 55 HB2 LYS 6 HB2 LYS 6 0.885 3.128 5.271 56 HB3 LYS 6 HB1 LYS 6 0.189 2.508 3.780 57 HG2 LYS 6 HG2 LYS 6 -1.421 2.714 6.300 58 HG3 LYS 6 HG1 LYS 6 -1.235 4.077 5.194 59 HD2 LYS 6 HD2 LYS 6 -1.987 1.534 3.923 60 HD3 LYS 6 HD1 LYS 6 -3.196 2.209 5.017 61 HE2 LYS 6 HE2 LYS 6 -3.532 2.980 2.719 62 HE3 LYS 6 HE1 LYS 6 -3.145 4.316 3.802 63 HZ1 LYS 6 HZ1 LYS 6 -1.014 4.506 2.925 64 HZ2 LYS 6 HZ2 LYS 6 -1.971 4.222 1.560 65 HZ3 LYS 6 HZ3 LYS 6 -1.046 2.968 2.218 66 H PHE 7 HN PHE 7 2.715 1.878 5.901 67 HA PHE 7 HA PHE 7 4.151 0.810 3.699 68 HB2 PHE 7 HB2 PHE 7 4.655 2.689 5.688 69 HB3 PHE 7 HB1 PHE 7 5.807 1.400 6.019 70 HD1 PHE 7 HD2 PHE 7 6.565 0.429 3.423 71 HD2 PHE 7 HD1 PHE 7 5.776 4.419 4.675 72 HE1 PHE 7 HE2 PHE 7 8.025 1.276 1.633 73 HE2 PHE 7 HE1 PHE 7 7.234 5.273 2.887 74 HZ PHE 7 HZ PHE 7 8.362 3.701 1.363 75 H PHE 8 HN PHE 8 3.573 -0.285 6.984 76 HA PHE 8 HA PHE 8 5.486 -2.372 6.984 77 HB2 PHE 8 HB2 PHE 8 3.433 -1.375 8.753 78 HB3 PHE 8 HB1 PHE 8 3.391 -3.134 8.697 79 HD1 PHE 8 HD1 PHE 8 5.968 -0.436 8.867 80 HD2 PHE 8 HD2 PHE 8 4.623 -4.214 10.291 81 HE1 PHE 8 HE1 PHE 8 7.875 -0.525 10.420 82 HE2 PHE 8 HE2 PHE 8 6.527 -4.310 11.847 83 HZ PHE 8 HZ PHE 8 8.155 -2.463 11.914 84 H ASP 9 HN ASP 9 2.040 -2.270 6.225 85 HA ASP 9 HA ASP 9 1.686 -5.019 5.777 86 HB2 ASP 9 HB2 ASP 9 0.206 -2.543 5.005 87 HB3 ASP 9 HB1 ASP 9 -0.216 -4.052 4.202 88 H LYS 10 HN LYS 10 2.761 -2.411 3.678 89 HA LYS 10 HA LYS 10 2.700 -3.927 1.270 90 HB2 LYS 10 HB2 LYS 10 2.678 -1.477 1.257 91 HB3 LYS 10 HB1 LYS 10 4.284 -1.447 1.970 92 HG2 LYS 10 HG2 LYS 10 4.489 -1.009 -0.364 93 HG3 LYS 10 HG1 LYS 10 5.137 -2.620 -0.048 94 HD2 LYS 10 HD2 LYS 10 2.558 -3.222 -0.591 95 HD3 LYS 10 HD1 LYS 10 2.775 -1.796 -1.607 96 HE2 LYS 10 HE2 LYS 10 3.288 -3.962 -2.740 97 HE3 LYS 10 HE1 LYS 10 4.613 -2.799 -2.751 98 HZ1 LYS 10 HZ1 LYS 10 4.520 -4.960 -0.758 99 H PHE 11 HN PHE 11 5.057 -3.449 3.807 100 HA PHE 11 HA PHE 11 7.294 -4.504 2.418 101 HB2 PHE 11 HB2 PHE 11 6.836 -3.319 4.909 102 HB3 PHE 11 HB1 PHE 11 7.408 -4.941 5.285 103 HD1 PHE 11 HD2 PHE 11 9.353 -5.517 3.258 104 HD2 PHE 11 HD1 PHE 11 8.556 -1.837 5.242 105 HE1 PHE 11 HE2 PHE 11 11.669 -4.795 2.842 106 HE2 PHE 11 HE1 PHE 11 10.870 -1.109 4.829 107 HZ PHE 11 HZ PHE 11 12.430 -2.589 3.628 108 H ILE 12 HN ILE 12 4.802 -5.932 4.462 109 HA ILE 12 HA ILE 12 6.008 -8.529 4.522 110 HB ILE 12 HB ILE 12 3.138 -7.799 5.110 111 HG12 ILE 12 HG12 ILE 12 4.757 -6.493 6.465 112 HG13 ILE 12 HG11 ILE 12 3.799 -7.604 7.438 113 HG21 ILE 12 HG21 ILE 12 4.732 -10.267 5.334 114 HG22 ILE 12 HG22 ILE 12 2.996 -10.050 5.115 115 HG23 ILE 12 HG23 ILE 12 3.710 -9.881 6.719 116 HD11 ILE 12 HD11 ILE 12 6.075 -7.642 8.185 117 HD12 ILE 12 HD12 ILE 12 6.647 -7.981 6.551 118 HD13 ILE 12 HD13 ILE 12 5.695 -9.185 7.420 119 H LEU 13 HN LEU 13 3.794 -6.860 2.417 120 HA LEU 13 HA LEU 13 2.969 -9.285 1.064 121 HB2 LEU 13 HB2 LEU 13 2.416 -6.376 0.488 122 HB3 LEU 13 HB1 LEU 13 1.751 -7.707 -0.439 123 HG LEU 13 HG LEU 13 1.273 -7.397 2.519 124 HD11 LEU 13 HD11 LEU 13 0.168 -5.524 1.901 125 HD12 LEU 13 HD12 LEU 13 -1.075 -6.693 1.454 126 HD13 LEU 13 HD13 LEU 13 0.005 -6.038 0.222 127 HD21 LEU 13 HD21 LEU 13 -0.607 -8.886 2.077 128 HD22 LEU 13 HD22 LEU 13 0.916 -9.628 1.586 129 HD23 LEU 13 HD23 LEU 13 -0.167 -8.949 0.370 130 H ASP 14 HN ASP 14 5.131 -6.569 0.523 131 HA ASP 14 HA ASP 14 5.755 -7.194 -2.176 132 HB2 ASP 14 HB2 ASP 14 6.939 -5.430 -0.074 133 HB3 ASP 14 HB1 ASP 14 7.896 -5.793 -1.506 134 H ARG 15 HN ARG 15 7.163 -8.087 0.927 135 HA ARG 15 HA ARG 15 9.346 -9.522 -0.314 136 HB2 ARG 15 HB2 ARG 15 8.467 -9.310 2.569 137 HB3 ARG 15 HB1 ARG 15 9.905 -10.164 2.029 138 HG2 ARG 15 HG2 ARG 15 10.474 -7.848 0.928 139 HG3 ARG 15 HG1 ARG 15 9.371 -7.244 2.165 140 HD2 ARG 15 HD2 ARG 15 11.278 -7.174 3.385 141 HD3 ARG 15 HD1 ARG 15 10.860 -8.861 3.682 142 HE ARG 15 HE ARG 15 12.779 -9.429 2.607 143 HH11 ARG 15 HH11 ARG 15 11.765 -6.309 1.417 144 HH12 ARG 15 HH12 ARG 15 13.142 -6.116 0.385 145 HH21 ARG 15 HH21 ARG 15 14.590 -9.177 1.249 146 HH22 ARG 15 HH22 ARG 15 14.746 -7.744 0.289 147 H LYS 16 HN LYS 16 6.322 -10.267 1.330 148 HA LYS 16 HA LYS 16 6.751 -13.127 0.918 149 HB2 LYS 16 HB2 LYS 16 5.686 -11.815 3.023 150 HB3 LYS 16 HB1 LYS 16 4.221 -12.167 2.117 151 HG2 LYS 16 HG2 LYS 16 4.228 -14.143 3.127 152 HG3 LYS 16 HG1 LYS 16 5.585 -14.563 2.080 153 HD2 LYS 16 HD2 LYS 16 5.799 -13.316 4.821 154 HD3 LYS 16 HD1 LYS 16 6.074 -15.017 4.444 155 HE2 LYS 16 HE2 LYS 16 7.641 -13.364 2.698 156 HE3 LYS 16 HE1 LYS 16 7.933 -12.907 4.376 157 HZ1 LYS 16 HZ1 LYS 16 9.380 -14.726 3.427 158 HZ2 LYS 16 HZ2 LYS 16 8.016 -15.725 3.475 159 HZ3 LYS 16 HZ3 LYS 16 8.631 -15.066 4.906 160 H LYS 17 HN LYS 17 6.247 -11.295 -1.332 161 HA LYS 17 HA LYS 17 3.564 -11.660 -2.220 162 HB2 LYS 17 HB2 LYS 17 5.331 -9.900 -2.958 163 HB3 LYS 17 HB1 LYS 17 5.870 -11.148 -4.073 164 HG2 LYS 17 HG2 LYS 17 2.977 -10.489 -4.015 165 HG3 LYS 17 HG1 LYS 17 4.083 -9.335 -4.763 166 HD2 LYS 17 HD2 LYS 17 3.861 -12.261 -5.471 167 HD3 LYS 17 HD1 LYS 17 3.162 -10.929 -6.394 168 HE2 LYS 17 HE2 LYS 17 5.660 -10.056 -6.326 169 HE3 LYS 17 HE1 LYS 17 5.999 -11.774 -6.118 170 HZ1 LYS 17 HZ1 LYS 17 5.367 -12.243 -8.214 171 HZ2 LYS 17 HZ2 LYS 17 5.741 -10.617 -8.489 172 HZ3 LYS 17 HZ3 LYS 17 4.135 -11.084 -8.239 173 HN1 NH2 18 HN1 NH2 18 2.710 -13.508 -2.850 174 HN2 NH2 18 HN2 NH2 18 3.531 -14.801 -3.648 Start of MODEL 17 1 H1 GLU 1 HN GLU 1 -1.884 3.360 14.248 2 HA GLU 1 HA GLU 1 -4.272 3.674 13.229 3 HB2 GLU 1 HB2 GLU 1 -3.242 6.288 13.375 4 HB3 GLU 1 HB1 GLU 1 -3.266 5.881 11.664 5 HG2 GLU 1 HG2 GLU 1 -5.337 6.855 12.039 6 HG3 GLU 1 HG1 GLU 1 -5.674 5.124 12.069 7 H NLE 2 HN NLE 2 -4.224 4.095 10.596 8 HA NLE 2 HA NLE 2 -2.761 1.924 9.586 9 HB2 NLE 2 HB2 NLE 2 -3.533 2.628 7.394 10 HB3 NLE 2 HB1 NLE 2 -4.837 2.773 8.564 11 HG2 NLE 2 HG2 NLE 2 -4.772 5.087 8.547 12 HG3 NLE 2 HG1 NLE 2 -3.127 5.135 7.908 13 HD2 NLE 2 HD2 NLE 2 -4.621 5.782 6.150 14 HD3 NLE 2 HD1 NLE 2 -4.017 4.164 5.777 15 HE1 NLE 2 HE1 NLE 2 -6.081 3.190 6.622 16 HE2 NLE 2 HE2 NLE 2 -6.424 4.369 5.355 17 HE3 NLE 2 HE3 NLE 2 -6.678 4.794 7.048 18 H ARG 3 HN ARG 3 -1.862 5.202 10.101 19 HA ARG 3 HA ARG 3 0.053 5.644 8.150 20 HB2 ARG 3 HB2 ARG 3 0.201 6.492 11.048 21 HB3 ARG 3 HB1 ARG 3 1.078 7.221 9.709 22 HG2 ARG 3 HG2 ARG 3 -1.026 7.942 8.712 23 HG3 ARG 3 HG1 ARG 3 -1.916 7.194 10.040 24 HD2 ARG 3 HD2 ARG 3 -0.103 8.786 11.349 25 HD3 ARG 3 HD1 ARG 3 -0.502 9.747 9.926 26 HE ARG 3 HE ARG 3 -2.206 9.174 12.160 27 HH11 ARG 3 HH11 ARG 3 -2.147 9.974 8.763 28 HH12 ARG 3 HH12 ARG 3 -3.729 10.680 8.774 29 HH21 ARG 3 HH21 ARG 3 -4.286 10.101 12.176 30 HH22 ARG 3 HH22 ARG 3 -4.943 10.753 10.712 31 H LEU 4 HN LEU 4 0.231 3.689 11.049 32 HA LEU 4 HA LEU 4 2.980 2.925 10.309 33 HB2 LEU 4 HB2 LEU 4 2.331 4.064 12.632 34 HB3 LEU 4 HB1 LEU 4 1.952 2.404 13.051 35 HG LEU 4 HG LEU 4 4.237 3.100 13.720 36 HD11 LEU 4 HD11 LEU 4 4.288 0.961 11.603 37 HD12 LEU 4 HD12 LEU 4 3.602 0.733 13.212 38 HD13 LEU 4 HD13 LEU 4 5.317 1.097 13.028 39 HD21 LEU 4 HD21 LEU 4 4.488 4.531 11.592 40 HD22 LEU 4 HD22 LEU 4 4.984 3.025 10.820 41 HD23 LEU 4 HD23 LEU 4 5.898 3.656 12.190 42 H LYS 5 HN LYS 5 1.062 1.678 8.937 43 HA LYS 5 HA LYS 5 1.287 -1.051 9.881 44 HB2 LYS 5 HB2 LYS 5 -0.832 -0.248 10.879 45 HB3 LYS 5 HB1 LYS 5 -1.415 0.155 9.273 46 HG2 LYS 5 HG2 LYS 5 -2.359 -1.941 10.013 47 HG3 LYS 5 HG1 LYS 5 -1.289 -2.203 8.636 48 HD2 LYS 5 HD2 LYS 5 0.422 -2.508 10.743 49 HD3 LYS 5 HD1 LYS 5 -1.079 -3.157 11.401 50 HE2 LYS 5 HE2 LYS 5 0.429 -4.816 10.241 51 HE3 LYS 5 HE1 LYS 5 -1.245 -4.775 9.689 52 HZ1 LYS 5 HZ1 LYS 5 0.559 -3.116 8.168 53 H LYS 6 HN LYS 6 -0.582 0.792 7.504 54 HA LYS 6 HA LYS 6 -0.594 -0.985 5.424 55 HB2 LYS 6 HB2 LYS 6 -0.505 2.016 5.466 56 HB3 LYS 6 HB1 LYS 6 -0.539 1.143 3.940 57 HG2 LYS 6 HG2 LYS 6 -2.570 0.079 5.620 58 HG3 LYS 6 HG1 LYS 6 -2.702 1.839 5.625 59 HD2 LYS 6 HD2 LYS 6 -2.540 1.709 3.093 60 HD3 LYS 6 HD1 LYS 6 -2.784 -0.030 3.267 61 HE2 LYS 6 HE2 LYS 6 -4.774 1.131 4.833 62 HE3 LYS 6 HE1 LYS 6 -4.707 2.127 3.379 63 HZ1 LYS 6 HZ1 LYS 6 -5.450 0.451 2.088 64 HZ2 LYS 6 HZ2 LYS 6 -6.123 -0.100 3.538 65 HZ3 LYS 6 HZ3 LYS 6 -4.668 -0.756 2.980 66 H PHE 7 HN PHE 7 2.067 0.979 6.526 67 HA PHE 7 HA PHE 7 3.693 0.556 4.202 68 HB2 PHE 7 HB2 PHE 7 4.046 2.543 5.552 69 HB3 PHE 7 HB1 PHE 7 4.381 1.558 6.972 70 HD1 PHE 7 HD2 PHE 7 5.620 1.122 3.497 71 HD2 PHE 7 HD1 PHE 7 6.567 2.106 7.528 72 HE1 PHE 7 HE2 PHE 7 8.014 1.125 2.930 73 HE2 PHE 7 HE1 PHE 7 8.963 2.111 6.968 74 HZ PHE 7 HZ PHE 7 9.689 1.619 4.666 75 H PHE 8 HN PHE 8 3.717 -0.698 7.517 76 HA PHE 8 HA PHE 8 5.841 -2.513 7.125 77 HB2 PHE 8 HB2 PHE 8 4.166 -1.731 9.265 78 HB3 PHE 8 HB1 PHE 8 4.012 -3.479 9.123 79 HD1 PHE 8 HD1 PHE 8 6.686 -4.277 8.266 80 HD2 PHE 8 HD2 PHE 8 5.484 -1.362 11.125 81 HE1 PHE 8 HE1 PHE 8 8.824 -4.563 9.450 82 HE2 PHE 8 HE2 PHE 8 7.620 -1.642 12.314 83 HZ PHE 8 HZ PHE 8 9.294 -3.243 11.476 84 H ASP 9 HN ASP 9 2.346 -2.821 6.830 85 HA ASP 9 HA ASP 9 2.307 -5.614 6.362 86 HB2 ASP 9 HB2 ASP 9 0.362 -3.376 5.899 87 HB3 ASP 9 HB1 ASP 9 0.028 -4.980 5.253 88 H LYS 10 HN LYS 10 2.706 -2.813 4.294 89 HA LYS 10 HA LYS 10 2.380 -4.202 1.829 90 HB2 LYS 10 HB2 LYS 10 2.080 -1.782 1.973 91 HB3 LYS 10 HB1 LYS 10 3.763 -1.583 2.440 92 HG2 LYS 10 HG2 LYS 10 3.534 -1.005 0.134 93 HG3 LYS 10 HG1 LYS 10 4.430 -2.521 0.244 94 HD2 LYS 10 HD2 LYS 10 1.901 -3.455 0.048 95 HD3 LYS 10 HD1 LYS 10 1.767 -1.968 -0.892 96 HE2 LYS 10 HE2 LYS 10 2.381 -3.989 -2.227 97 HE3 LYS 10 HE1 LYS 10 3.521 -2.650 -2.359 98 HZ1 LYS 10 HZ1 LYS 10 4.031 -4.882 -0.513 99 H PHE 11 HN PHE 11 5.109 -3.460 3.908 100 HA PHE 11 HA PHE 11 7.153 -4.227 2.111 101 HB2 PHE 11 HB2 PHE 11 7.592 -2.870 4.112 102 HB3 PHE 11 HB1 PHE 11 7.158 -4.233 5.138 103 HD1 PHE 11 HD1 PHE 11 8.617 -6.207 5.255 104 HD2 PHE 11 HD2 PHE 11 9.724 -2.732 3.064 105 HE1 PHE 11 HE1 PHE 11 10.952 -6.981 5.217 106 HE2 PHE 11 HE2 PHE 11 12.062 -3.499 3.021 107 HZ PHE 11 HZ PHE 11 12.678 -5.626 4.098 108 H ILE 12 HN ILE 12 5.232 -5.993 4.475 109 HA ILE 12 HA ILE 12 6.703 -8.422 4.305 110 HB ILE 12 HB ILE 12 3.816 -8.089 5.126 111 HG12 ILE 12 HG12 ILE 12 6.042 -8.237 7.108 112 HG13 ILE 12 HG11 ILE 12 5.763 -6.702 6.292 113 HG21 ILE 12 HG21 ILE 12 5.826 -10.278 5.370 114 HG22 ILE 12 HG22 ILE 12 4.116 -10.360 4.948 115 HG23 ILE 12 HG23 ILE 12 4.599 -10.086 6.622 116 HD11 ILE 12 HD11 ILE 12 4.355 -7.873 8.485 117 HD12 ILE 12 HD12 ILE 12 3.248 -7.598 7.139 118 HD13 ILE 12 HD13 ILE 12 4.199 -6.261 7.787 119 H LEU 13 HN LEU 13 3.937 -7.100 2.579 120 HA LEU 13 HA LEU 13 3.411 -9.551 1.161 121 HB2 LEU 13 HB2 LEU 13 2.369 -6.756 0.708 122 HB3 LEU 13 HB1 LEU 13 1.781 -8.195 -0.102 123 HG LEU 13 HG LEU 13 1.660 -7.823 2.887 124 HD11 LEU 13 HD11 LEU 13 -0.889 -7.578 2.140 125 HD12 LEU 13 HD12 LEU 13 -0.116 -6.847 0.733 126 HD13 LEU 13 HD13 LEU 13 0.184 -6.194 2.344 127 HD21 LEU 13 HD21 LEU 13 0.465 -9.766 2.968 128 HD22 LEU 13 HD22 LEU 13 1.515 -10.124 1.597 129 HD23 LEU 13 HD23 LEU 13 -0.144 -9.592 1.322 130 H ASP 14 HN ASP 14 4.900 -6.434 0.438 131 HA ASP 14 HA ASP 14 5.361 -6.869 -2.299 132 HB2 ASP 14 HB2 ASP 14 6.543 -5.059 -0.230 133 HB3 ASP 14 HB1 ASP 14 7.332 -5.190 -1.799 134 H ARG 15 HN ARG 15 7.084 -7.900 0.554 135 HA ARG 15 HA ARG 15 9.340 -8.865 -1.013 136 HB2 ARG 15 HB2 ARG 15 8.840 -9.047 1.961 137 HB3 ARG 15 HB1 ARG 15 10.343 -9.442 1.138 138 HG2 ARG 15 HG2 ARG 15 9.359 -6.737 0.610 139 HG3 ARG 15 HG1 ARG 15 9.773 -7.051 2.296 140 HD2 ARG 15 HD2 ARG 15 11.842 -6.473 1.598 141 HD3 ARG 15 HD1 ARG 15 11.900 -8.161 1.094 142 HE ARG 15 HE ARG 15 10.856 -6.863 -1.058 143 HH11 ARG 15 HH11 ARG 15 13.752 -6.476 0.851 144 HH12 ARG 15 HH12 ARG 15 14.687 -5.851 -0.465 145 HH21 ARG 15 HH21 ARG 15 12.084 -6.040 -2.791 146 HH22 ARG 15 HH22 ARG 15 13.740 -5.603 -2.533 147 H LYS 16 HN LYS 16 6.859 -10.164 1.155 148 HA LYS 16 HA LYS 16 7.502 -12.876 0.281 149 HB2 LYS 16 HB2 LYS 16 6.576 -11.746 2.710 150 HB3 LYS 16 HB1 LYS 16 5.300 -12.797 2.114 151 HG2 LYS 16 HG2 LYS 16 6.762 -14.677 2.072 152 HG3 LYS 16 HG1 LYS 16 8.167 -13.660 2.401 153 HD2 LYS 16 HD2 LYS 16 6.509 -13.067 4.501 154 HD3 LYS 16 HD1 LYS 16 6.182 -14.781 4.235 155 HE2 LYS 16 HE2 LYS 16 7.970 -15.025 5.599 156 HE3 LYS 16 HE1 LYS 16 8.855 -14.820 4.088 157 HZ1 LYS 16 HZ1 LYS 16 9.900 -13.259 5.319 158 HZ2 LYS 16 HZ2 LYS 16 8.580 -12.993 6.342 159 HZ3 LYS 16 HZ3 LYS 16 8.610 -12.294 4.802 160 H LYS 17 HN LYS 17 6.258 -11.023 -1.566 161 HA LYS 17 HA LYS 17 3.493 -11.412 -1.806 162 HB2 LYS 17 HB2 LYS 17 5.469 -10.042 -3.213 163 HB3 LYS 17 HB1 LYS 17 4.836 -11.198 -4.377 164 HG2 LYS 17 HG2 LYS 17 3.245 -9.163 -2.830 165 HG3 LYS 17 HG1 LYS 17 3.650 -9.105 -4.547 166 HD2 LYS 17 HD2 LYS 17 2.017 -10.548 -5.103 167 HD3 LYS 17 HD1 LYS 17 2.314 -11.574 -3.698 168 HE2 LYS 17 HE2 LYS 17 1.092 -10.022 -2.282 169 HE3 LYS 17 HE1 LYS 17 0.843 -8.941 -3.652 170 HZ1 LYS 17 HZ1 LYS 17 -0.954 -10.708 -2.906 171 HZ2 LYS 17 HZ2 LYS 17 -0.064 -11.699 -3.949 172 HZ3 LYS 17 HZ3 LYS 17 -0.752 -10.266 -4.527 173 HN1 NH2 18 HN1 NH2 18 5.975 -12.901 -3.871 174 HN2 NH2 18 HN2 NH2 18 5.145 -14.400 -4.089 Start of MODEL 18 1 H1 GLU 1 HN GLU 1 -4.607 0.478 11.544 2 HA GLU 1 HA GLU 1 -5.072 2.879 12.872 3 HB2 GLU 1 HB2 GLU 1 -2.910 0.884 12.779 4 HB3 GLU 1 HB1 GLU 1 -2.394 2.492 13.270 5 HG2 GLU 1 HG2 GLU 1 -4.767 1.921 14.681 6 HG3 GLU 1 HG1 GLU 1 -3.741 0.492 14.786 7 H NLE 2 HN NLE 2 -2.884 4.401 13.049 8 HA NLE 2 HA NLE 2 -3.061 6.127 10.865 9 HB2 NLE 2 HB2 NLE 2 -1.427 5.921 13.295 10 HB3 NLE 2 HB1 NLE 2 -0.627 6.755 11.971 11 HG2 NLE 2 HG2 NLE 2 -3.351 7.464 13.037 12 HG3 NLE 2 HG1 NLE 2 -1.846 8.264 13.496 13 HD2 NLE 2 HD2 NLE 2 -1.668 8.436 10.813 14 HD3 NLE 2 HD1 NLE 2 -3.424 8.468 11.008 15 HE1 NLE 2 HE1 NLE 2 -3.118 10.672 11.307 16 HE2 NLE 2 HE2 NLE 2 -1.408 10.482 11.693 17 HE3 NLE 2 HE3 NLE 2 -2.628 10.211 12.937 18 H ARG 3 HN ARG 3 -0.595 6.874 10.039 19 HA ARG 3 HA ARG 3 0.056 4.775 8.167 20 HB2 ARG 3 HB2 ARG 3 1.388 7.470 8.437 21 HB3 ARG 3 HB1 ARG 3 1.369 6.420 7.027 22 HG2 ARG 3 HG2 ARG 3 -0.727 7.046 6.412 23 HG3 ARG 3 HG1 ARG 3 -1.241 7.362 8.071 24 HD2 ARG 3 HD2 ARG 3 -1.032 9.409 6.673 25 HD3 ARG 3 HD1 ARG 3 -0.025 9.425 8.120 26 HE ARG 3 HE ARG 3 1.322 8.462 5.766 27 HH11 ARG 3 HH11 ARG 3 0.481 11.284 7.640 28 HH12 ARG 3 HH12 ARG 3 1.788 12.237 7.024 29 HH21 ARG 3 HH21 ARG 3 3.041 9.715 4.954 30 HH22 ARG 3 HH22 ARG 3 3.242 11.347 5.498 31 H LEU 4 HN LEU 4 0.734 3.639 10.404 32 HA LEU 4 HA LEU 4 3.642 3.596 10.314 33 HB2 LEU 4 HB2 LEU 4 3.554 3.442 12.920 34 HB3 LEU 4 HB1 LEU 4 3.596 5.003 12.124 35 HG LEU 4 HG LEU 4 0.870 4.071 12.547 36 HD11 LEU 4 HD11 LEU 4 2.341 4.750 15.062 37 HD12 LEU 4 HD12 LEU 4 2.210 3.078 14.516 38 HD13 LEU 4 HD13 LEU 4 0.753 4.010 14.861 39 HD21 LEU 4 HD21 LEU 4 2.432 6.530 13.319 40 HD22 LEU 4 HD22 LEU 4 0.700 6.327 13.589 41 HD23 LEU 4 HD23 LEU 4 1.341 6.340 11.946 42 H LYS 5 HN LYS 5 1.978 1.734 9.243 43 HA LYS 5 HA LYS 5 2.894 -0.658 10.299 44 HB2 LYS 5 HB2 LYS 5 0.912 0.294 11.945 45 HB3 LYS 5 HB1 LYS 5 0.020 -0.778 10.875 46 HG2 LYS 5 HG2 LYS 5 2.533 -1.841 12.000 47 HG3 LYS 5 HG1 LYS 5 1.200 -1.593 13.129 48 HD2 LYS 5 HD2 LYS 5 0.363 -3.543 12.455 49 HD3 LYS 5 HD1 LYS 5 0.050 -2.801 10.885 50 HE2 LYS 5 HE2 LYS 5 2.821 -3.658 11.255 51 HE3 LYS 5 HE1 LYS 5 1.655 -4.978 11.332 52 HZ1 LYS 5 HZ1 LYS 5 1.880 -3.122 9.050 53 H LYS 6 HN LYS 6 0.051 0.791 8.773 54 HA LYS 6 HA LYS 6 -0.741 -1.340 7.190 55 HB2 LYS 6 HB2 LYS 6 -1.215 1.520 7.273 56 HB3 LYS 6 HB1 LYS 6 -1.191 0.924 5.619 57 HG2 LYS 6 HG2 LYS 6 -2.898 -0.193 7.834 58 HG3 LYS 6 HG1 LYS 6 -3.443 0.940 6.595 59 HD2 LYS 6 HD2 LYS 6 -2.207 -1.711 5.903 60 HD3 LYS 6 HD1 LYS 6 -3.936 -1.535 6.214 61 HE2 LYS 6 HE2 LYS 6 -4.076 -1.101 4.019 62 HE3 LYS 6 HE1 LYS 6 -3.484 0.499 4.461 63 HZ1 LYS 6 HZ1 LYS 6 -1.569 -1.660 3.885 64 HZ2 LYS 6 HZ2 LYS 6 -1.370 0.013 3.737 65 HZ3 LYS 6 HZ3 LYS 6 -2.304 -0.829 2.606 66 H PHE 7 HN PHE 7 1.670 1.151 6.531 67 HA PHE 7 HA PHE 7 2.260 0.215 3.901 68 HB2 PHE 7 HB2 PHE 7 3.958 1.963 5.690 69 HB3 PHE 7 HB1 PHE 7 4.101 1.798 3.944 70 HD1 PHE 7 HD2 PHE 7 0.960 1.768 3.615 71 HD2 PHE 7 HD1 PHE 7 3.736 4.368 5.526 72 HE1 PHE 7 HE2 PHE 7 -0.598 3.648 3.313 73 HE2 PHE 7 HE1 PHE 7 2.182 6.252 5.227 74 HZ PHE 7 HZ PHE 7 0.012 5.893 4.119 75 H PHE 8 HN PHE 8 3.740 -0.213 7.076 76 HA PHE 8 HA PHE 8 6.017 -1.620 6.236 77 HB2 PHE 8 HB2 PHE 8 4.618 -1.148 8.779 78 HB3 PHE 8 HB1 PHE 8 5.532 -2.652 8.720 79 HD1 PHE 8 HD2 PHE 8 6.018 0.894 7.647 80 HD2 PHE 8 HD1 PHE 8 7.653 -2.537 9.561 81 HE1 PHE 8 HE2 PHE 8 8.089 2.141 8.105 82 HE2 PHE 8 HE1 PHE 8 9.727 -1.296 10.024 83 HZ PHE 8 HZ PHE 8 9.947 1.046 9.295 84 H ASP 9 HN ASP 9 2.862 -2.788 7.341 85 HA ASP 9 HA ASP 9 3.413 -5.530 7.109 86 HB2 ASP 9 HB2 ASP 9 0.864 -3.934 7.088 87 HB3 ASP 9 HB1 ASP 9 0.843 -5.680 6.857 88 H LYS 10 HN LYS 10 2.209 -3.175 4.787 89 HA LYS 10 HA LYS 10 1.545 -5.003 2.742 90 HB2 LYS 10 HB2 LYS 10 1.148 -2.365 3.072 91 HB3 LYS 10 HB1 LYS 10 2.520 -2.309 1.975 92 HG2 LYS 10 HG2 LYS 10 0.484 -4.194 1.113 93 HG3 LYS 10 HG1 LYS 10 -0.130 -2.548 1.268 94 HD2 LYS 10 HD2 LYS 10 0.815 -2.027 -0.675 95 HD3 LYS 10 HD1 LYS 10 2.401 -2.389 0.007 96 HE2 LYS 10 HE2 LYS 10 0.765 -4.699 -0.847 97 HE3 LYS 10 HE1 LYS 10 1.388 -3.659 -2.127 98 HZ1 LYS 10 HZ1 LYS 10 3.344 -4.490 -0.171 99 H PHE 11 HN PHE 11 4.525 -3.347 3.591 100 HA PHE 11 HA PHE 11 5.991 -3.996 1.273 101 HB2 PHE 11 HB2 PHE 11 6.568 -2.923 3.945 102 HB3 PHE 11 HB1 PHE 11 7.895 -3.845 3.248 103 HD1 PHE 11 HD1 PHE 11 8.742 -3.190 0.961 104 HD2 PHE 11 HD2 PHE 11 6.122 -0.738 3.247 105 HE1 PHE 11 HE1 PHE 11 9.385 -1.242 -0.398 106 HE2 PHE 11 HE2 PHE 11 6.759 1.214 1.892 107 HZ PHE 11 HZ PHE 11 8.393 0.963 0.066 108 H ILE 12 HN ILE 12 5.505 -5.685 4.332 109 HA ILE 12 HA ILE 12 7.377 -7.766 3.799 110 HB ILE 12 HB ILE 12 5.020 -7.838 5.686 111 HG12 ILE 12 HG12 ILE 12 6.474 -5.901 6.125 112 HG13 ILE 12 HG11 ILE 12 6.589 -7.095 7.413 113 HG21 ILE 12 HG21 ILE 12 6.059 -10.022 5.156 114 HG22 ILE 12 HG22 ILE 12 6.233 -9.562 6.850 115 HG23 ILE 12 HG23 ILE 12 7.599 -9.397 5.747 116 HD11 ILE 12 HD11 ILE 12 8.591 -6.391 5.312 117 HD12 ILE 12 HD12 ILE 12 8.650 -7.950 6.134 118 HD13 ILE 12 HD13 ILE 12 8.783 -6.457 7.064 119 H LEU 13 HN LEU 13 4.031 -7.233 2.999 120 HA LEU 13 HA LEU 13 3.556 -9.986 2.254 121 HB2 LEU 13 HB2 LEU 13 1.874 -8.155 3.130 122 HB3 LEU 13 HB1 LEU 13 1.763 -7.748 1.428 123 HG LEU 13 HG LEU 13 1.264 -10.527 2.483 124 HD11 LEU 13 HD11 LEU 13 -0.280 -8.669 3.368 125 HD12 LEU 13 HD12 LEU 13 -1.014 -10.096 2.638 126 HD13 LEU 13 HD13 LEU 13 -0.894 -8.597 1.716 127 HD21 LEU 13 HD21 LEU 13 1.147 -9.194 -0.154 128 HD22 LEU 13 HD22 LEU 13 -0.149 -10.330 0.222 129 HD23 LEU 13 HD23 LEU 13 1.532 -10.865 0.260 130 H ASP 14 HN ASP 14 4.356 -6.959 0.681 131 HA ASP 14 HA ASP 14 3.923 -7.934 -1.979 132 HB2 ASP 14 HB2 ASP 14 5.148 -5.462 -0.802 133 HB3 ASP 14 HB1 ASP 14 5.366 -5.820 -2.513 134 H ARG 15 HN ARG 15 6.596 -7.855 0.256 135 HA ARG 15 HA ARG 15 8.581 -8.495 -1.728 136 HB2 ARG 15 HB2 ARG 15 10.145 -8.549 0.072 137 HB3 ARG 15 HB1 ARG 15 9.052 -7.206 0.377 138 HG2 ARG 15 HG2 ARG 15 9.055 -8.092 2.452 139 HG3 ARG 15 HG1 ARG 15 7.780 -9.099 1.763 140 HD2 ARG 15 HD2 ARG 15 9.075 -10.958 1.740 141 HD3 ARG 15 HD1 ARG 15 10.548 -10.055 1.389 142 HE ARG 15 HE ARG 15 10.944 -9.866 3.644 143 HH11 ARG 15 HH11 ARG 15 7.688 -11.022 3.137 144 HH12 ARG 15 HH12 ARG 15 7.435 -11.413 4.805 145 HH21 ARG 15 HH21 ARG 15 10.610 -10.379 5.838 146 HH22 ARG 15 HH22 ARG 15 9.092 -11.046 6.338 147 H LYS 16 HN LYS 16 6.290 -10.265 0.079 148 HA LYS 16 HA LYS 16 7.804 -12.756 -0.107 149 HB2 LYS 16 HB2 LYS 16 6.478 -12.087 1.959 150 HB3 LYS 16 HB1 LYS 16 5.028 -12.397 1.014 151 HG2 LYS 16 HG2 LYS 16 5.224 -14.428 1.977 152 HG3 LYS 16 HG1 LYS 16 6.289 -14.708 0.598 153 HD2 LYS 16 HD2 LYS 16 8.091 -13.700 2.260 154 HD3 LYS 16 HD1 LYS 16 6.953 -14.300 3.467 155 HE2 LYS 16 HE2 LYS 16 8.173 -15.931 1.243 156 HE3 LYS 16 HE1 LYS 16 8.690 -15.952 2.929 157 HZ1 LYS 16 HZ1 LYS 16 6.918 -17.175 3.553 158 HZ2 LYS 16 HZ2 LYS 16 6.947 -17.672 1.936 159 HZ3 LYS 16 HZ3 LYS 16 5.869 -16.466 2.430 160 H LYS 17 HN LYS 17 6.887 -11.436 -2.526 161 HA LYS 17 HA LYS 17 4.589 -12.839 -3.505 162 HB2 LYS 17 HB2 LYS 17 6.455 -10.807 -4.502 163 HB3 LYS 17 HB1 LYS 17 5.898 -11.922 -5.742 164 HG2 LYS 17 HG2 LYS 17 4.460 -10.004 -5.695 165 HG3 LYS 17 HG1 LYS 17 3.568 -11.410 -5.108 166 HD2 LYS 17 HD2 LYS 17 4.629 -10.401 -2.799 167 HD3 LYS 17 HD1 LYS 17 4.308 -8.935 -3.727 168 HE2 LYS 17 HE2 LYS 17 2.283 -11.119 -3.274 169 HE3 LYS 17 HE1 LYS 17 2.423 -9.684 -2.260 170 HZ1 LYS 17 HZ1 LYS 17 0.715 -9.488 -4.004 171 HZ2 LYS 17 HZ2 LYS 17 1.917 -9.626 -5.185 172 HZ3 LYS 17 HZ3 LYS 17 1.915 -8.302 -4.133 173 HN1 NH2 18 HN1 NH2 18 4.513 -14.805 -4.342 174 HN2 NH2 18 HN2 NH2 18 5.860 -15.732 -4.900 Start of MODEL 19 1 H1 GLU 1 HN GLU 1 -2.759 -0.844 11.701 2 HA GLU 1 HA GLU 1 -2.729 1.332 13.688 3 HB2 GLU 1 HB2 GLU 1 -0.318 0.222 12.248 4 HB3 GLU 1 HB1 GLU 1 -0.325 1.433 13.522 5 HG2 GLU 1 HG2 GLU 1 -1.560 -1.154 14.196 6 HG3 GLU 1 HG1 GLU 1 0.183 -1.167 13.930 7 H NLE 2 HN NLE 2 -3.109 3.267 12.864 8 HA NLE 2 HA NLE 2 -3.600 3.773 10.182 9 HB2 NLE 2 HB2 NLE 2 -3.196 6.250 10.915 10 HB3 NLE 2 HB1 NLE 2 -4.564 5.351 11.552 11 HG2 NLE 2 HG2 NLE 2 -2.337 4.932 13.274 12 HG3 NLE 2 HG1 NLE 2 -2.495 6.659 12.966 13 HD2 NLE 2 HD2 NLE 2 -3.797 6.001 14.924 14 HD3 NLE 2 HD1 NLE 2 -4.855 6.560 13.625 15 HE1 NLE 2 HE1 NLE 2 -5.797 4.589 14.644 16 HE2 NLE 2 HE2 NLE 2 -4.294 3.701 14.395 17 HE3 NLE 2 HE3 NLE 2 -5.264 4.199 13.009 18 H ARG 3 HN ARG 3 -0.924 5.351 11.899 19 HA ARG 3 HA ARG 3 0.497 6.034 9.604 20 HB2 ARG 3 HB2 ARG 3 1.757 5.506 12.291 21 HB3 ARG 3 HB1 ARG 3 2.312 6.611 11.042 22 HG2 ARG 3 HG2 ARG 3 -0.112 6.895 12.798 23 HG3 ARG 3 HG1 ARG 3 1.334 7.906 12.776 24 HD2 ARG 3 HD2 ARG 3 0.538 8.118 10.201 25 HD3 ARG 3 HD1 ARG 3 -1.019 7.917 11.003 26 HE ARG 3 HE ARG 3 0.574 10.242 10.999 27 HH11 ARG 3 HH11 ARG 3 -1.433 8.335 13.123 28 HH12 ARG 3 HH12 ARG 3 -1.855 9.676 14.133 29 HH21 ARG 3 HH21 ARG 3 0.019 12.008 12.325 30 HH22 ARG 3 HH22 ARG 3 -1.032 11.762 13.680 31 H LEU 4 HN LEU 4 0.732 3.179 11.658 32 HA LEU 4 HA LEU 4 2.888 2.090 10.047 33 HB2 LEU 4 HB2 LEU 4 1.454 1.186 12.520 34 HB3 LEU 4 HB1 LEU 4 2.478 0.078 11.628 35 HG LEU 4 HG LEU 4 3.333 2.654 12.947 36 HD11 LEU 4 HD11 LEU 4 4.223 1.411 14.620 37 HD12 LEU 4 HD12 LEU 4 4.536 0.025 13.576 38 HD13 LEU 4 HD13 LEU 4 2.904 0.328 14.172 39 HD21 LEU 4 HD21 LEU 4 4.689 0.866 10.989 40 HD22 LEU 4 HD22 LEU 4 5.644 1.602 12.276 41 HD23 LEU 4 HD23 LEU 4 4.751 2.621 11.147 42 H LYS 5 HN LYS 5 0.903 2.458 8.348 43 HA LYS 5 HA LYS 5 -0.283 -0.210 7.967 44 HB2 LYS 5 HB2 LYS 5 -1.782 1.931 8.370 45 HB3 LYS 5 HB1 LYS 5 -1.460 2.206 6.664 46 HG2 LYS 5 HG2 LYS 5 -2.341 -0.512 7.366 47 HG3 LYS 5 HG1 LYS 5 -3.532 0.768 7.598 48 HD2 LYS 5 HD2 LYS 5 -3.899 0.904 5.407 49 HD3 LYS 5 HD1 LYS 5 -2.177 1.110 5.082 50 HE2 LYS 5 HE2 LYS 5 -2.933 -1.626 5.789 51 HE3 LYS 5 HE1 LYS 5 -3.695 -1.034 4.314 52 HZ1 LYS 5 HZ1 LYS 5 -1.304 -0.438 3.652 53 H LYS 6 HN LYS 6 0.810 2.686 6.244 54 HA LYS 6 HA LYS 6 0.998 1.500 3.704 55 HB2 LYS 6 HB2 LYS 6 2.618 3.811 4.786 56 HB3 LYS 6 HB1 LYS 6 2.354 3.430 3.090 57 HG2 LYS 6 HG2 LYS 6 0.056 3.999 3.231 58 HG3 LYS 6 HG1 LYS 6 0.123 4.096 4.991 59 HD2 LYS 6 HD2 LYS 6 1.817 5.870 3.261 60 HD3 LYS 6 HD1 LYS 6 0.148 6.290 3.651 61 HE2 LYS 6 HE2 LYS 6 2.081 5.556 5.816 62 HE3 LYS 6 HE1 LYS 6 2.065 7.187 5.147 63 HZ1 LYS 6 HZ1 LYS 6 -0.012 5.800 6.701 64 HZ2 LYS 6 HZ2 LYS 6 -0.460 7.027 5.627 65 HZ3 LYS 6 HZ3 LYS 6 0.607 7.363 6.895 66 H PHE 7 HN PHE 7 3.397 1.970 6.256 67 HA PHE 7 HA PHE 7 5.509 0.705 4.799 68 HB2 PHE 7 HB2 PHE 7 5.998 2.373 6.519 69 HB3 PHE 7 HB1 PHE 7 5.263 1.347 7.746 70 HD1 PHE 7 HD1 PHE 7 7.870 1.049 5.086 71 HD2 PHE 7 HD2 PHE 7 6.709 0.198 9.091 72 HE1 PHE 7 HE1 PHE 7 10.047 -0.027 5.485 73 HE2 PHE 7 HE2 PHE 7 8.883 -0.878 9.498 74 HZ PHE 7 HZ PHE 7 10.556 -0.991 7.694 75 H PHE 8 HN PHE 8 3.134 -0.321 7.170 76 HA PHE 8 HA PHE 8 4.289 -2.884 7.646 77 HB2 PHE 8 HB2 PHE 8 1.797 -1.476 8.381 78 HB3 PHE 8 HB1 PHE 8 1.675 -3.230 8.303 79 HD1 PHE 8 HD2 PHE 8 4.610 -1.217 9.345 80 HD2 PHE 8 HD1 PHE 8 1.456 -3.808 10.552 81 HE1 PHE 8 HE2 PHE 8 5.611 -1.385 11.586 82 HE2 PHE 8 HE1 PHE 8 2.451 -3.979 12.796 83 HZ PHE 8 HZ PHE 8 4.532 -2.768 13.315 84 H ASP 9 HN ASP 9 1.780 -1.651 5.503 85 HA ASP 9 HA ASP 9 0.957 -4.149 4.475 86 HB2 ASP 9 HB2 ASP 9 0.751 -1.335 3.409 87 HB3 ASP 9 HB1 ASP 9 0.095 -2.721 2.541 88 H LYS 10 HN LYS 10 3.507 -1.910 3.585 89 HA LYS 10 HA LYS 10 4.159 -3.124 1.104 90 HB2 LYS 10 HB2 LYS 10 5.006 -0.878 2.558 91 HB3 LYS 10 HB1 LYS 10 6.438 -1.883 2.381 92 HG2 LYS 10 HG2 LYS 10 4.670 -1.028 0.101 93 HG3 LYS 10 HG1 LYS 10 6.155 -0.206 0.583 94 HD2 LYS 10 HD2 LYS 10 5.926 -3.070 -0.341 95 HD3 LYS 10 HD1 LYS 10 6.562 -1.722 -1.285 96 HE2 LYS 10 HE2 LYS 10 8.576 -2.162 -0.456 97 HE3 LYS 10 HE1 LYS 10 7.976 -1.700 1.137 98 HZ1 LYS 10 HZ1 LYS 10 8.118 -3.891 1.722 99 H PHE 11 HN PHE 11 5.297 -3.567 4.407 100 HA PHE 11 HA PHE 11 7.433 -5.306 3.850 101 HB2 PHE 11 HB2 PHE 11 7.136 -4.201 6.026 102 HB3 PHE 11 HB1 PHE 11 5.696 -5.169 6.324 103 HD1 PHE 11 HD2 PHE 11 9.002 -6.163 4.941 104 HD2 PHE 11 HD1 PHE 11 6.208 -6.519 8.131 105 HE1 PHE 11 HE2 PHE 11 10.398 -7.914 5.962 106 HE2 PHE 11 HE1 PHE 11 7.599 -8.269 9.159 107 HZ PHE 11 HZ PHE 11 9.696 -8.969 8.074 108 H ILE 12 HN ILE 12 3.997 -5.896 4.391 109 HA ILE 12 HA ILE 12 4.185 -8.726 4.488 110 HB ILE 12 HB ILE 12 1.793 -7.061 3.698 111 HG12 ILE 12 HG12 ILE 12 2.310 -8.168 6.444 112 HG13 ILE 12 HG11 ILE 12 2.971 -6.606 5.970 113 HG21 ILE 12 HG21 ILE 12 1.066 -9.144 3.185 114 HG22 ILE 12 HG22 ILE 12 0.760 -9.200 4.920 115 HG23 ILE 12 HG23 ILE 12 2.222 -9.932 4.259 116 HD11 ILE 12 HD11 ILE 12 0.694 -5.827 5.469 117 HD12 ILE 12 HD12 ILE 12 0.898 -6.306 7.154 118 HD13 ILE 12 HD13 ILE 12 0.064 -7.376 6.027 119 H LEU 13 HN LEU 13 3.378 -6.452 1.876 120 HA LEU 13 HA LEU 13 3.038 -8.526 -0.068 121 HB2 LEU 13 HB2 LEU 13 2.875 -6.708 -1.686 122 HB3 LEU 13 HB1 LEU 13 1.862 -6.410 -0.287 123 HG LEU 13 HG LEU 13 3.958 -5.027 0.530 124 HD11 LEU 13 HD11 LEU 13 4.428 -5.473 -2.358 125 HD12 LEU 13 HD12 LEU 13 5.577 -5.211 -1.046 126 HD13 LEU 13 HD13 LEU 13 4.701 -3.845 -1.736 127 HD21 LEU 13 HD21 LEU 13 2.927 -3.120 -1.031 128 HD22 LEU 13 HD22 LEU 13 2.095 -3.746 0.391 129 HD23 LEU 13 HD23 LEU 13 1.669 -4.342 -1.212 130 H ASP 14 HN ASP 14 5.715 -6.653 1.101 131 HA ASP 14 HA ASP 14 7.420 -7.104 -1.154 132 HB2 ASP 14 HB2 ASP 14 7.855 -6.073 1.637 133 HB3 ASP 14 HB1 ASP 14 9.220 -6.408 0.575 134 H ARG 15 HN ARG 15 6.812 -8.728 1.899 135 HA ARG 15 HA ARG 15 8.951 -10.647 1.375 136 HB2 ARG 15 HB2 ARG 15 8.298 -9.553 3.687 137 HB3 ARG 15 HB1 ARG 15 7.125 -10.861 3.729 138 HG2 ARG 15 HG2 ARG 15 9.199 -11.422 4.908 139 HG3 ARG 15 HG1 ARG 15 8.890 -12.502 3.546 140 HD2 ARG 15 HD2 ARG 15 10.448 -10.206 2.736 141 HD3 ARG 15 HD1 ARG 15 11.223 -11.067 4.064 142 HE ARG 15 HE ARG 15 10.559 -13.053 2.360 143 HH11 ARG 15 HH11 ARG 15 12.274 -10.042 1.946 144 HH12 ARG 15 HH12 ARG 15 13.267 -10.640 0.660 145 HH21 ARG 15 HH21 ARG 15 11.863 -13.842 0.668 146 HH22 ARG 15 HH22 ARG 15 13.034 -12.798 -0.067 147 H LYS 16 HN LYS 16 5.456 -10.418 1.476 148 HA LYS 16 HA LYS 16 5.171 -13.279 0.976 149 HB2 LYS 16 HB2 LYS 16 3.674 -11.938 2.565 150 HB3 LYS 16 HB1 LYS 16 2.940 -11.260 1.118 151 HG2 LYS 16 HG2 LYS 16 2.848 -13.936 0.594 152 HG3 LYS 16 HG1 LYS 16 2.607 -13.890 2.341 153 HD2 LYS 16 HD2 LYS 16 0.467 -13.416 1.934 154 HD3 LYS 16 HD1 LYS 16 1.005 -11.837 1.359 155 HE2 LYS 16 HE2 LYS 16 -0.046 -12.464 -0.534 156 HE3 LYS 16 HE1 LYS 16 1.461 -13.326 -0.840 157 HZ1 LYS 16 HZ1 LYS 16 -1.077 -14.422 0.224 158 HZ2 LYS 16 HZ2 LYS 16 0.385 -15.268 0.314 159 HZ3 LYS 16 HZ3 LYS 16 -0.265 -14.861 -1.194 160 H LYS 17 HN LYS 17 6.510 -12.135 -1.073 161 HA LYS 17 HA LYS 17 4.834 -11.193 -3.169 162 HB2 LYS 17 HB2 LYS 17 7.536 -11.248 -2.738 163 HB3 LYS 17 HB1 LYS 17 7.348 -12.495 -3.963 164 HG2 LYS 17 HG2 LYS 17 5.986 -9.898 -4.410 165 HG3 LYS 17 HG1 LYS 17 7.740 -9.961 -4.589 166 HD2 LYS 17 HD2 LYS 17 5.822 -11.829 -5.978 167 HD3 LYS 17 HD1 LYS 17 6.482 -10.362 -6.706 168 HE2 LYS 17 HE2 LYS 17 8.121 -11.696 -7.447 169 HE3 LYS 17 HE1 LYS 17 8.735 -11.608 -5.797 170 HZ1 LYS 17 HZ1 LYS 17 8.224 -13.892 -7.032 171 HZ2 LYS 17 HZ2 LYS 17 6.714 -13.635 -6.315 172 HZ3 LYS 17 HZ3 LYS 17 8.103 -13.711 -5.354 173 HN1 NH2 18 HN1 NH2 18 3.150 -12.686 -3.346 174 HN2 NH2 18 HN2 NH2 18 3.367 -14.241 -4.067 Start of MODEL 20 1 H1 GLU 1 HN GLU 1 -5.750 2.471 12.418 2 HA GLU 1 HA GLU 1 -5.409 4.046 10.683 3 HB2 GLU 1 HB2 GLU 1 -5.808 6.511 11.288 4 HB3 GLU 1 HB1 GLU 1 -7.218 5.488 11.051 5 HG2 GLU 1 HG2 GLU 1 -6.231 5.617 13.810 6 HG3 GLU 1 HG1 GLU 1 -6.849 7.135 13.160 7 H NLE 2 HN NLE 2 -3.558 2.881 12.263 8 HA NLE 2 HA NLE 2 -1.881 4.804 13.577 9 HB2 NLE 2 HB2 NLE 2 -0.219 2.825 13.510 10 HB3 NLE 2 HB1 NLE 2 -1.670 2.671 14.490 11 HG2 NLE 2 HG2 NLE 2 -1.983 1.720 11.741 12 HG3 NLE 2 HG1 NLE 2 -0.786 0.834 12.686 13 HD2 NLE 2 HD2 NLE 2 -3.630 1.361 13.550 14 HD3 NLE 2 HD1 NLE 2 -3.042 -0.153 12.856 15 HE1 NLE 2 HE1 NLE 2 -2.791 0.894 15.569 16 HE2 NLE 2 HE2 NLE 2 -1.276 0.287 14.901 17 HE3 NLE 2 HE3 NLE 2 -2.689 -0.765 14.979 18 H ARG 3 HN ARG 3 0.379 5.190 12.953 19 HA ARG 3 HA ARG 3 0.547 5.694 10.080 20 HB2 ARG 3 HB2 ARG 3 1.879 6.829 12.501 21 HB3 ARG 3 HB1 ARG 3 2.699 6.950 10.951 22 HG2 ARG 3 HG2 ARG 3 1.309 8.533 10.196 23 HG3 ARG 3 HG1 ARG 3 -0.115 7.758 10.894 24 HD2 ARG 3 HD2 ARG 3 1.892 9.516 12.294 25 HD3 ARG 3 HD1 ARG 3 0.193 9.868 11.980 26 HE ARG 3 HE ARG 3 1.255 8.372 14.158 27 HH11 ARG 3 HH11 ARG 3 -1.502 8.630 12.034 28 HH12 ARG 3 HH12 ARG 3 -2.600 7.918 13.168 29 HH21 ARG 3 HH21 ARG 3 -0.188 7.435 15.651 30 HH22 ARG 3 HH22 ARG 3 -1.854 7.240 15.222 31 H LEU 4 HN LEU 4 0.918 3.002 11.102 32 HA LEU 4 HA LEU 4 3.416 2.432 9.784 33 HB2 LEU 4 HB2 LEU 4 4.104 0.921 11.762 34 HB3 LEU 4 HB1 LEU 4 4.454 2.636 11.841 35 HG LEU 4 HG LEU 4 3.586 1.595 13.964 36 HD11 LEU 4 HD11 LEU 4 3.325 4.087 13.040 37 HD12 LEU 4 HD12 LEU 4 2.708 3.575 14.610 38 HD13 LEU 4 HD13 LEU 4 1.621 3.673 13.225 39 HD21 LEU 4 HD21 LEU 4 1.917 0.120 12.994 40 HD22 LEU 4 HD22 LEU 4 1.015 1.511 12.393 41 HD23 LEU 4 HD23 LEU 4 1.165 1.242 14.128 42 H LYS 5 HN LYS 5 0.886 1.876 8.970 43 HA LYS 5 HA LYS 5 0.741 -1.046 9.293 44 HB2 LYS 5 HB2 LYS 5 -1.157 0.491 10.301 45 HB3 LYS 5 HB1 LYS 5 -1.713 0.520 8.633 46 HG2 LYS 5 HG2 LYS 5 -1.070 -2.143 9.698 47 HG3 LYS 5 HG1 LYS 5 -2.447 -1.332 10.448 48 HD2 LYS 5 HD2 LYS 5 -3.727 -1.792 8.688 49 HD3 LYS 5 HD1 LYS 5 -2.578 -1.006 7.604 50 HE2 LYS 5 HE2 LYS 5 -1.787 -3.673 8.560 51 HE3 LYS 5 HE1 LYS 5 -3.211 -3.640 7.522 52 HZ1 LYS 5 HZ1 LYS 5 -1.261 -2.085 6.297 53 H LYS 6 HN LYS 6 -0.045 1.696 7.202 54 HA LYS 6 HA LYS 6 -0.624 0.233 4.884 55 HB2 LYS 6 HB2 LYS 6 -0.645 2.888 5.570 56 HB3 LYS 6 HB1 LYS 6 0.693 2.818 4.432 57 HG2 LYS 6 HG2 LYS 6 -1.906 1.542 3.719 58 HG3 LYS 6 HG1 LYS 6 -1.726 3.294 3.597 59 HD2 LYS 6 HD2 LYS 6 0.200 1.358 2.330 60 HD3 LYS 6 HD1 LYS 6 -1.229 1.972 1.496 61 HE2 LYS 6 HE2 LYS 6 -0.099 4.267 2.456 62 HE3 LYS 6 HE1 LYS 6 1.320 3.287 2.091 63 HZ1 LYS 6 HZ1 LYS 6 0.455 4.726 0.238 64 HZ2 LYS 6 HZ2 LYS 6 -0.877 3.688 0.147 65 HZ3 LYS 6 HZ3 LYS 6 0.678 3.093 -0.147 66 H PHE 7 HN PHE 7 2.399 1.713 5.978 67 HA PHE 7 HA PHE 7 3.936 0.812 3.767 68 HB2 PHE 7 HB2 PHE 7 4.355 2.584 5.823 69 HB3 PHE 7 HB1 PHE 7 5.409 1.247 6.270 70 HD1 PHE 7 HD2 PHE 7 6.333 0.276 3.681 71 HD2 PHE 7 HD1 PHE 7 5.740 4.261 5.051 72 HE1 PHE 7 HE2 PHE 7 8.022 1.074 2.079 73 HE2 PHE 7 HE1 PHE 7 7.427 5.066 3.451 74 HZ PHE 7 HZ PHE 7 8.571 3.472 1.963 75 H PHE 8 HN PHE 8 3.308 -0.453 6.991 76 HA PHE 8 HA PHE 8 5.156 -2.572 6.929 77 HB2 PHE 8 HB2 PHE 8 3.632 -1.598 8.869 78 HB3 PHE 8 HB1 PHE 8 2.559 -2.898 8.362 79 HD1 PHE 8 HD2 PHE 8 6.272 -2.782 8.568 80 HD2 PHE 8 HD1 PHE 8 2.660 -4.501 10.020 81 HE1 PHE 8 HE2 PHE 8 7.577 -4.376 9.913 82 HE2 PHE 8 HE1 PHE 8 3.958 -6.098 11.369 83 HZ PHE 8 HZ PHE 8 6.420 -6.037 11.316 84 H ASP 9 HN ASP 9 1.690 -2.502 6.191 85 HA ASP 9 HA ASP 9 1.372 -5.159 5.448 86 HB2 ASP 9 HB2 ASP 9 -0.043 -2.632 4.654 87 HB3 ASP 9 HB1 ASP 9 -0.486 -4.169 3.918 88 H LYS 10 HN LYS 10 2.568 -2.416 3.607 89 HA LYS 10 HA LYS 10 2.609 -3.691 1.078 90 HB2 LYS 10 HB2 LYS 10 3.065 -1.142 1.968 91 HB3 LYS 10 HB1 LYS 10 4.692 -1.670 1.564 92 HG2 LYS 10 HG2 LYS 10 2.316 -1.696 -0.286 93 HG3 LYS 10 HG1 LYS 10 3.643 -0.533 -0.309 94 HD2 LYS 10 HD2 LYS 10 3.981 -3.504 -0.698 95 HD3 LYS 10 HD1 LYS 10 3.840 -2.340 -2.017 96 HE2 LYS 10 HE2 LYS 10 5.972 -1.713 -1.816 97 HE3 LYS 10 HE1 LYS 10 5.842 -1.556 -0.065 98 HZ1 LYS 10 HZ1 LYS 10 7.034 -3.487 0.029 99 H PHE 11 HN PHE 11 4.818 -3.601 3.783 100 HA PHE 11 HA PHE 11 7.105 -4.619 2.490 101 HB2 PHE 11 HB2 PHE 11 7.165 -3.551 4.711 102 HB3 PHE 11 HB1 PHE 11 6.273 -4.910 5.386 103 HD1 PHE 11 HD2 PHE 11 9.369 -4.255 3.407 104 HD2 PHE 11 HD1 PHE 11 7.469 -6.553 6.444 105 HE1 PHE 11 HE2 PHE 11 11.491 -5.419 3.847 106 HE2 PHE 11 HE1 PHE 11 9.588 -7.721 6.891 107 HZ PHE 11 HZ PHE 11 11.602 -7.155 5.591 108 H ILE 12 HN ILE 12 4.504 -6.236 4.298 109 HA ILE 12 HA ILE 12 5.513 -8.852 4.038 110 HB ILE 12 HB ILE 12 2.675 -7.886 4.417 111 HG12 ILE 12 HG12 ILE 12 3.270 -8.961 6.753 112 HG13 ILE 12 HG11 ILE 12 4.924 -8.650 6.236 113 HG21 ILE 12 HG21 ILE 12 2.279 -10.009 3.627 114 HG22 ILE 12 HG22 ILE 12 2.471 -10.323 5.352 115 HG23 ILE 12 HG23 ILE 12 3.806 -10.641 4.244 116 HD11 ILE 12 HD11 ILE 12 3.524 -6.899 7.630 117 HD12 ILE 12 HD12 ILE 12 2.980 -6.428 6.020 118 HD13 ILE 12 HD13 ILE 12 4.699 -6.402 6.413 119 H LEU 13 HN LEU 13 3.463 -6.887 1.956 120 HA LEU 13 HA LEU 13 2.771 -8.985 0.163 121 HB2 LEU 13 HB2 LEU 13 1.794 -6.527 0.556 122 HB3 LEU 13 HB1 LEU 13 2.855 -6.178 -0.795 123 HG LEU 13 HG LEU 13 0.565 -8.142 -0.766 124 HD11 LEU 13 HD11 LEU 13 -0.330 -6.640 -2.517 125 HD12 LEU 13 HD12 LEU 13 1.006 -5.531 -2.204 126 HD13 LEU 13 HD13 LEU 13 -0.180 -5.862 -0.942 127 HD21 LEU 13 HD21 LEU 13 1.166 -8.196 -3.282 128 HD22 LEU 13 HD22 LEU 13 2.094 -9.188 -2.158 129 HD23 LEU 13 HD23 LEU 13 2.758 -7.663 -2.744 130 H ASP 14 HN ASP 14 5.121 -6.338 -0.015 131 HA ASP 14 HA ASP 14 6.223 -7.058 -2.499 132 HB2 ASP 14 HB2 ASP 14 7.533 -5.582 -0.203 133 HB3 ASP 14 HB1 ASP 14 8.118 -5.618 -1.864 134 H ARG 15 HN ARG 15 7.026 -7.993 0.805 135 HA ARG 15 HA ARG 15 9.183 -9.713 -0.159 136 HB2 ARG 15 HB2 ARG 15 8.280 -9.001 2.636 137 HB3 ARG 15 HB1 ARG 15 9.605 -10.099 2.276 138 HG2 ARG 15 HG2 ARG 15 9.664 -7.370 1.099 139 HG3 ARG 15 HG1 ARG 15 10.035 -7.567 2.814 140 HD2 ARG 15 HD2 ARG 15 12.069 -7.644 1.488 141 HD3 ARG 15 HD1 ARG 15 11.764 -9.207 2.243 142 HE ARG 15 HE ARG 15 11.613 -10.120 0.161 143 HH11 ARG 15 HH11 ARG 15 11.110 -6.678 -0.113 144 HH12 ARG 15 HH12 ARG 15 11.058 -6.697 -1.844 145 HH21 ARG 15 HH21 ARG 15 11.545 -10.147 -2.116 146 HH22 ARG 15 HH22 ARG 15 11.305 -8.667 -2.981 147 H LYS 16 HN LYS 16 6.067 -10.101 -0.288 148 HA LYS 16 HA LYS 16 5.438 -12.361 1.255 149 HB2 LYS 16 HB2 LYS 16 3.735 -10.983 0.160 150 HB3 LYS 16 HB1 LYS 16 4.316 -11.500 -1.417 151 HG2 LYS 16 HG2 LYS 16 3.676 -13.764 0.258 152 HG3 LYS 16 HG1 LYS 16 2.302 -12.669 0.093 153 HD2 LYS 16 HD2 LYS 16 2.092 -13.051 -2.143 154 HD3 LYS 16 HD1 LYS 16 3.822 -13.323 -2.368 155 HE2 LYS 16 HE2 LYS 16 1.818 -15.234 -1.176 156 HE3 LYS 16 HE1 LYS 16 2.645 -15.392 -2.725 157 HZ1 LYS 16 HZ1 LYS 16 4.721 -15.190 -1.080 158 HZ2 LYS 16 HZ2 LYS 16 4.024 -16.668 -1.514 159 HZ3 LYS 16 HZ3 LYS 16 3.613 -15.940 -0.044 160 H LYS 17 HN LYS 17 7.127 -12.001 -1.776 161 HA LYS 17 HA LYS 17 6.928 -14.616 -2.748 162 HB2 LYS 17 HB2 LYS 17 8.986 -14.107 -4.013 163 HB3 LYS 17 HB1 LYS 17 7.797 -12.816 -4.123 164 HG2 LYS 17 HG2 LYS 17 9.206 -11.333 -3.267 165 HG3 LYS 17 HG1 LYS 17 9.600 -12.389 -1.909 166 HD2 LYS 17 HD2 LYS 17 11.631 -12.034 -3.061 167 HD3 LYS 17 HD1 LYS 17 11.102 -13.657 -3.509 168 HE2 LYS 17 HE2 LYS 17 9.920 -12.060 -5.417 169 HE3 LYS 17 HE1 LYS 17 11.483 -11.286 -5.161 170 HZ1 LYS 17 HZ1 LYS 17 11.825 -12.866 -6.835 171 HZ2 LYS 17 HZ2 LYS 17 10.941 -14.062 -6.030 172 HZ3 LYS 17 HZ3 LYS 17 12.453 -13.589 -5.440 173 HN1 NH2 18 HN1 NH2 18 7.921 -16.478 -2.264 174 HN2 NH2 18 HN2 NH2 18 9.132 -16.678 -1.049